A0A096NWD3_PAPAN Loading...

ATP-binding cassette sub-family E member 1

AlphaFold DB (D3ZD23), UniProt , Accession A0A096NWD3, Species PAPAN (Papio anubis, Olive baboon), Gene ABCE1, Length 599 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	35.7	Very low	67.6	Low	241 Å²	241	74.9 Å²	74.9	100%	1.187	40%	0.395	S	S	*	.				0	109.5	0	-70.1	172	-176.4	0	0	106.1	D3	M1-D3 PolarHBondContact O-N 2.75Å; M1-D3 VanDerWaalsContact O-N 3.14Å
2	A	44.1	Very low	68.9	Low	100 Å²	100	72.8 Å²	72.8	83%	0.826	38%	0.384	S	S	*	.			trans	-60.4	120.3	173.3	0	0	0	0	0	106.8	K4	A2-K4 PolarHBondContact O-N 2.93Å
3	D	51.3	Low	69.7	Low	125 Å²	125	75.8 Å²	75.8	67%	0.668	40%	0.395	S	S	*	.			trans	-47.7	114.4	173	-105.2	-27.4	0	0	0	107.1	M1 L5	M1-D3 PolarHBondContact O-N 2.75Å; M1-D3 VanDerWaalsContact O-N 3.14Å; D3-L5 PolarHBondContact O-N 3.2Å
4	K	57.7	Low	70.2	Confident	167 Å²	167	79.8 Å²	79.8	73%	0.726	42%	0.416	S	S	*	.			trans	-68.8	92.3	-177.1	-164.2	-178.6	-175.8	-175.4	0	105.4	A2 T6	A2-K4 PolarHBondContact O-N 2.93Å; K4-T6 PolarHBondContact O-N 3.08Å
5	L	64.4	Low	71	Confident	97 Å²	97	78.5 Å²	78.5	51%	0.508	41%	0.406	S	S	.	.			trans	-53.5	112.1	-179.4	-79.3	161.9	0	0	0	108.3	D3	D3-L5 PolarHBondContact O-N 3.2Å
6	T	69.9	Low	71.9	Confident	17 Å²	17	74.3 Å²	74.3	10%	0.104	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	140.6	178.9	48.4	0	0	0	0	108	K4 L75 P76 E80	K4-T6 PolarHBondContact O-N 3.08Å; T6-L75 PolarHBondContact O-N 3.38Å; T6-L75 PolarHBondContact OG1-O 3.28Å; T6-P76 PolarHBondContact OG1-O 3.11Å; T6-E80 HydrophobicContact CG2-CB 4.09Å; T6-E80 VanDerWaalsContact CG2-CD 3.47Å; T6-E80 HydrophobicContact CG2-CG 4.35Å; T6-E80 WeakPolarHBondContact CG2-OE2 3.27Å
7	R	81.2	Confident	72.8	Confident	59 Å²	59	75.4 Å²	75.4	22%	0.223	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	138.5	-173.6	-56.2	-174.6	176.5	108.8	3	109	E52 C55 I56 I72 V73 N74	R7-E52 WeakPolarHBondContact O-CB 3.31Å; R7-C55 PolarHBondContact NH1-O 3.11Å; R7-I56 PolarHBondContact NH1-O 2.97Å; R7-I56 PolarHBondContact NH2-O 3.32Å; R7-I72 HydrophobicContact CB-CG2 4.33Å; R7-V73 CarbonylContact C-O 3.59Å; R7-V73 WeakPolarHBondContact CA-O 3.37Å; R7-N74 WeakPolarHBondContact CD-OD1 3.49Å; R7-N74 WeakPolarHBondContact CG-OD1 3.17Å; R7-N74 PolarHBondContact NE-OD1 3.2Å
8	I	80.9	Confident	73.4	Confident	0 Å²	0	71.3 Å²	71.3	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	123.2	166.2	-54.3	175.2	0	0	0	107	I10 E52 I72 V73 L75 K93 Y296	I8-I10 HydrophobicContact CB-CD1 4.14Å; I8-I10 HydrophobicContact CG2-CD1 3.51Å; I8-I10 HydrophobicContact CG2-CG1 3.67Å; I8-E52 WeakPolarHBondContact CA-OE1 3.32Å; I8-I72 CarbonylContact O-C 3.35Å; I8-I72 VanDerWaalsContact O-CA 3.32Å; I8-I72 WeakPolarHBondContact O-CA 3.47Å; I8-V73 PolarHBondContact N-O 3.05Å; I8-V73 PolarHBondContact O-N 3.07Å; I8-L75 HydrophobicContact CD1-CD1 3.41Å; I8-L75 VanDerWaalsContact CD1-CD1 3.41Å; I8-L75 HydrophobicContact CD1-CD2 3.96Å; I8-L75 HydrophobicContact CD1-CG 3.75Å; I8-L75 HydrophobicContact CG1-CD1 3.45Å; I8-L75 VanDerWaalsContact CG1-CD1 3.45Å; I8-L75 HydrophobicContact CG1-CG 3.8Å; I8-K93 HydrophobicContact CD1-CB 4.13Å; I8-K93 HydrophobicContact CD1-CD 3.73Å; I8-K93 HydrophobicContact CD1-CG 4.09Å; I8-K93 HydrophobicContact CG1-CD 3.86Å; I8-Y296 HydrophobicContact CD1-CD1 4.22Å; I8-Y296 HydrophobicContact CD1-CG 4.01Å
9	A	85.5	Confident	74.1	Confident	1 Å²	1	76.6 Å²	76.6	1%	0.008	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	120.3	165.5	0	0	0	0	0	107.2	I50 E52 S71 I72 N90	A9-I50 HydrophobicContact CB-CB 3.78Å; A9-I50 HydrophobicContact CB-CD1 4.38Å; A9-I50 HydrophobicContact CB-CG2 3.6Å; A9-E52 HydrophobicContact CB-CG 4.16Å; A9-E52 PolarHBondContact N-OE1 2.74Å; A9-E52 VanDerWaalsContact N-OE1 3.1Å; A9-S71 CarbonylContact C-O 3.51Å; A9-S71 WeakPolarHBondContact CA-O 3.48Å; A9-I72 HydrophobicContact CB-CG1 4.35Å; A9-N90 CarbonylContact O-C 3.59Å; A9-N90 WeakPolarHBondContact O-CA 3.15Å; A9-N90 WeakPolarHBondContact O-CB 3.27Å; A9-N90 PolarHBondContact O-ND2 2.89Å
10	I	85.7	Confident	74.6	Confident	12 Å²	12	81.4 Å²	81.4	6%	0.062	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	136.5	175.9	-60.4	107.5	0	0	0	110	I8 L70 S71 V73 N90 A295	I8-I10 HydrophobicContact CB-CD1 4.14Å; I8-I10 HydrophobicContact CG2-CD1 3.51Å; I8-I10 HydrophobicContact CG2-CG1 3.67Å; I10-L70 WeakPolarHBondContact O-CA 3.04Å; I10-S71 WeakPolarHBondContact CB-OG 3.5Å; I10-S71 PolarHBondContact N-O 3.06Å; I10-S71 PolarHBondContact O-N 3.02Å; I10-V73 HydrophobicContact CD1-CG2 4.27Å; I10-N90 VanDerWaalsContact CA-O 3.25Å; I10-N90 WeakPolarHBondContact CA-O 3.33Å; I10-A295 HydrophobicContact CD1-CB 3.21Å; I10-A295 HydrophobicContact CG1-CB 4.13Å
11	V	86.9	Confident	75.1	Confident	5 Å²	5	78.4 Å²	78.4	3%	0.03	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	113.8	172.8	-172.2	0	0	0	0	108.9	H13 C16 I47 A48 I50 A69 L70 N90	V11-H13 PolarHBondContact O-N 3.3Å; V11-C16 HydrophobicContact CG1-CB 3.73Å; V11-I47 HydrophobicContact CB-CD1 3.95Å; V11-I47 HydrophobicContact CB-CG1 4.12Å; V11-I47 HydrophobicContact CG1-CD1 3.64Å; V11-I47 HydrophobicContact CG1-CG1 3.42Å; V11-I47 VanDerWaalsContact CG1-CG1 3.42Å; V11-A48 WeakPolarHBondContact CG2-O 3.44Å; V11-I50 HydrophobicContact CG2-CD1 4.17Å; V11-I50 HydrophobicContact CG2-CG1 4.28Å; V11-A69 WeakPolarHBondContact CA-O 3.14Å; V11-L70 HydrophobicContact CB-CD2 4.1Å; V11-L70 HydrophobicContact CG1-CD2 3.79Å; V11-L70 HydrophobicContact CG2-CD2 3.5Å; V11-L70 VanDerWaalsContact CG2-CD2 3.5Å; V11-N90 HydrophobicContact CB-CB 4.37Å; V11-N90 HydrophobicContact CG2-CB 3.91Å; V11-N90 PolarHBondContact N-O 2.87Å
12	N	83	Confident	77.6	Confident	50 Å²	50	76.1 Å²	76.1	27%	0.267	37%	0.369	S	S	.	.			trans	-73.2	117.8	177.8	-177.8	-52.2	0	0	0	110	D14 K15 C16 A69	N12-D14 VanDerWaalsContact C-N 3.29Å; N12-D14 PolarHBondContact O-N 2.81Å; N12-D14 WeakPolarHBondContact OD1-CB 3.31Å; N12-D14 PolarHBondContact OD1-N 3.44Å; N12-K15 HydrophobicContact CB-CB 4.26Å; N12-K15 PolarHBondContact O-N 3Å; N12-K15 PolarHBondContact OD1-N 3.24Å; N12-K15 VanDerWaalsContact OD1-N 3.07Å; N12-C16 WeakPolarHBondContact O-CB 3.37Å; N12-C16 PolarHBondContact O-N 2.84Å; N12-A69 PolarHBondContact N-O 3.14Å
13	H	79.9	Confident	79.6	Confident	112 Å²	112	73 Å²	73	52%	0.519	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-34.7	-178	-79.3	-87.4	0	0	0	113.7	V11 I47	V11-H13 PolarHBondContact O-N 3.3Å; H13-I47 HydrophobicContact CB-CD1 4.46Å; H13-I47 WeakPolarHBondContact CE1-CD1 3.33Å; H13-I47 VanDerWaalsContact ND1-CD1 3.31Å; H13-I47 WeakPolarHBondContact ND1-CD1 3.33Å
14	D	76.5	Confident	81.4	Confident	131 Å²	131	69.6 Å²	69.6	70%	0.701	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-37.7	-176.5	-59.7	-39.7	0	0	0	111.2	N12 K17	N12-D14 VanDerWaalsContact C-N 3.29Å; N12-D14 PolarHBondContact O-N 2.81Å; N12-D14 WeakPolarHBondContact OD1-CB 3.31Å; N12-D14 PolarHBondContact OD1-N 3.44Å; D14-K17 WeakPolarHBondContact O-CE 3.46Å; D14-K17 PolarHBondContact O-NZ 3.27Å
15	K	81.9	Confident	82.9	Confident	61 Å²	61	62.1 Å²	62.1	27%	0.265	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-32.7	-179.9	-63.9	-175.1	177.5	-173.9	0	113.3	N12 K17 F67 A69 N453	N12-K15 HydrophobicContact CB-CB 4.26Å; N12-K15 PolarHBondContact O-N 3Å; N12-K15 PolarHBondContact OD1-N 3.24Å; N12-K15 VanDerWaalsContact OD1-N 3.07Å; K15-K17 PolarHBondContact O-N 2.93Å; K15-K17 VanDerWaalsContact O-N 3.11Å; K15-F67 VanDerWaalsContact O-CB 3.26Å; K15-F67 WeakPolarHBondContact O-CB 3.31Å; K15-A69 HydrophobicContact CB-CB 3.61Å; K15-N453 PolarHBondContact NZ-O 3.38Å
16	C	85.6	Confident	84.1	Confident	11 Å²	11	60.9 Å²	60.9	7%	0.074	28%	0.277	C	S	.	.			trans	-72.6	108.1	-176.8	-167	0	0	0	0	110.6	V11 N12 I47 A69	V11-C16 HydrophobicContact CG1-CB 3.73Å; N12-C16 WeakPolarHBondContact O-CB 3.37Å; N12-C16 PolarHBondContact O-N 2.84Å; C16-I47 HydrophobicContact CB-CG1 4.22Å; C16-A69 HydrophobicContact CB-CB 3.9Å
17	K	86.7	Confident	85.1	Confident	92 Å²	92	65.9 Å²	65.9	40%	0.4	30%	0.297	S	S	.	.			trans	-123.3	80.4	176.8	-57.3	-60.7	179.4	-147.4	0	111.5	D14 K15 K19 K20 C21 F67	D14-K17 WeakPolarHBondContact O-CE 3.46Å; D14-K17 PolarHBondContact O-NZ 3.27Å; K15-K17 PolarHBondContact O-N 2.93Å; K15-K17 VanDerWaalsContact O-N 3.11Å; K17-K19 PolarHBondContact O-N 2.86Å; K17-K19 VanDerWaalsContact O-N 3.09Å; K17-K20 HydrophobicContact CB-CB 4.22Å; K17-K20 HydrophobicContact CB-CG 4.44Å; K17-K20 PolarHBondContact O-N 3.27Å; K17-C21 PolarHBondContact O-N 2.98Å; K17-F67 HydrophobicContact CB-CD2 4.33Å; K17-F67 HydrophobicContact CB-CE2 3.96Å; K17-F67 HydrophobicContact CB-CZ 4.45Å
18	P	85.2	Confident	85.5	Confident	3 Å²	3	64.4 Å²	64.4	2%	0.019	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-27.6	-179.8	-28.3	37.4	0	0	0	115.2	K20 C21 V41 T42 S45	P18-K20 VanDerWaalsContact C-N 3.33Å; P18-C21 VanDerWaalsContact O-O 3.06Å; P18-V41 HydrophobicContact CB-CG2 3.67Å; P18-V41 HydrophobicContact CG-CG2 3.76Å; P18-T42 WeakPolarHBondContact CB-O 3.47Å; P18-S45 WeakPolarHBondContact CB-O 3.44Å; P18-S45 WeakPolarHBondContact CG-O 3.48Å
19	K	85.1	Confident	85.9	Confident	172 Å²	172	64.7 Å²	64.7	75%	0.748	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-27.5	175.1	-69.9	-177.1	179.1	-172.6	0	114	K17 P43	K17-K19 PolarHBondContact O-N 2.86Å; K17-K19 VanDerWaalsContact O-N 3.09Å; K19-P43 WeakPolarHBondContact CG-O 3.38Å
20	K	84.6	Confident	86.2	Confident	171 Å²	171	66.5 Å²	66.5	74%	0.743	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.7	-12.8	-176.3	-65.6	-171.3	178.3	-175.6	0	113.1	K17 P18 F67	K17-K20 HydrophobicContact CB-CB 4.22Å; K17-K20 HydrophobicContact CB-CG 4.44Å; K17-K20 PolarHBondContact O-N 3.27Å; P18-K20 VanDerWaalsContact C-N 3.33Å; K20-F67 HydrophobicContact CB-CE2 4.06Å; K20-F67 HydrophobicContact CB-CZ 3.65Å
21	C	84.8	Confident	86.4	Confident	19 Å²	19	66.3 Å²	66.3	13%	0.128	31%	0.308	C	S	.	.	S	Bend	trans	-107.9	159.9	175.5	71.4	0	0	0	0	111.5	K17 P18 Q23 E24 P66 F67	K17-C21 PolarHBondContact O-N 2.98Å; P18-C21 VanDerWaalsContact O-O 3.06Å; C21-Q23 PolarHBondContact O-N 3.03Å; C21-Q23 PolarHBondContact O-NE2 3.05Å; C21-E24 VanDerWaalsContact CB-OE2 3.32Å; C21-E24 WeakPolarHBondContact CB-OE2 3.42Å; C21-P66 HydrophobicContact CB-CG 3.69Å; C21-F67 HydrophobicContact CB-CD2 4.34Å; C21-F67 HydrophobicContact CB-CE2 3.76Å
22	R	87.8	Confident	86.5	Confident	194 Å²	194	67.6 Å²	67.6	73%	0.732	32%	0.317	S	S	*	.			trans	-91.1	29.1	179.2	-58.2	-179.7	175.2	-176.6	-1.2	112.3	E24 K27	R22-E24 VanDerWaalsContact C-N 3.27Å; R22-E24 VanDerWaalsContact CB-OE1 3.31Å; R22-E24 WeakPolarHBondContact CB-OE1 3.3Å; R22-E24 VanDerWaalsContact N-CD 3.34Å; R22-E24 PolarHBondContact N-OE1 3.27Å; R22-E24 PolarHBondContact N-OE2 3.5Å; R22-E24 VanDerWaalsContact N-OE2 3.11Å; R22-E24 PolarHBondContact O-N 2.73Å; R22-K27 WeakPolarHBondContact O-CE 2.96Å; R22-K27 PolarHBondContact O-NZ 3.35Å
23	Q	87.9	Confident	86.7	Confident	35 Å²	35	74.3 Å²	74.3	16%	0.164	34%	0.338	C	S	.	.			trans	50.5	43.1	-174.3	-54.7	98.3	49.4	0	0	113.2	C21 C25 K26 K27 V41	C21-Q23 PolarHBondContact O-N 3.03Å; C21-Q23 PolarHBondContact O-NE2 3.05Å; Q23-C25 PolarHBondContact O-N 3.42Å; Q23-K26 HydrophobicContact CB-CB 4.42Å; Q23-K26 PolarHBondContact O-N 3.36Å; Q23-K26 VanDerWaalsContact O-N 3.09Å; Q23-K27 PolarHBondContact O-N 2.87Å; Q23-K27 VanDerWaalsContact O-N 3.14Å; Q23-V41 HydrophobicContact CB-CG1 3.92Å; Q23-V41 HydrophobicContact CG-CG1 3.89Å; Q23-V41 HydrophobicContact CG-CG2 4.09Å
24	E	88.3	Confident	87.2	Confident	53 Å²	53	76 Å²	76	25%	0.248	35%	0.348	C	S	.	.	H	α-helix	trans	-56.8	-36.3	-177.6	-62.6	82	-179.5	0	0	111.6	C21 R22 K26 K27 S28 K64	C21-E24 VanDerWaalsContact CB-OE2 3.32Å; C21-E24 WeakPolarHBondContact CB-OE2 3.42Å; R22-E24 VanDerWaalsContact C-N 3.27Å; R22-E24 VanDerWaalsContact CB-OE1 3.31Å; R22-E24 WeakPolarHBondContact CB-OE1 3.3Å; R22-E24 VanDerWaalsContact N-CD 3.34Å; R22-E24 PolarHBondContact N-OE1 3.27Å; R22-E24 PolarHBondContact N-OE2 3.5Å; R22-E24 VanDerWaalsContact N-OE2 3.11Å; R22-E24 PolarHBondContact O-N 2.73Å; E24-K26 PolarHBondContact O-N 3.16Å; E24-K27 PolarHBondContact O-N 3.28Å; E24-S28 VanDerWaalsContact O-CB 3.31Å; E24-S28 WeakPolarHBondContact O-CB 3.48Å; E24-S28 PolarHBondContact O-N 2.95Å; E24-S28 PolarHBondContact O-OG 3.37Å; E24-K64 HydrophobicContact CB-CB 4.43Å; E24-K64 WeakPolarHBondContact CB-O 3.26Å
25	C	89.7	Confident	87.7	Confident	10 Å²	10	72.9 Å²	72.9	7%	0.068	35%	0.347	C	S	.	.	H	α-helix	trans	-56.9	-45.6	176.3	55.7	0	0	0	0	112.7	Q23 C29 I39 C61 L70	Q23-C25 PolarHBondContact O-N 3.42Å; C25-C29 PolarHBondContact O-N 2.94Å; C25-I39 WeakPolarHBondContact O-CD1 3.24Å; C25-C61 HydrophobicContact CB-CB 4Å; C25-L70 HydrophobicContact CB-CD1 3.51Å
26	K	89.9	Confident	88	Confident	70 Å²	70	75.6 Å²	75.6	30%	0.304	36%	0.359	S	S	.	.	H	α-helix	trans	-69.9	-46.2	178.6	-176.8	176.2	179.1	-179.7	0	111.3	Q23 E24 S28 C29 V32 I39 V41	Q23-K26 HydrophobicContact CB-CB 4.42Å; Q23-K26 PolarHBondContact O-N 3.36Å; Q23-K26 VanDerWaalsContact O-N 3.09Å; E24-K26 PolarHBondContact O-N 3.16Å; K26-S28 VanDerWaalsContact C-N 3.33Å; K26-S28 PolarHBondContact O-N 3.45Å; K26-C29 PolarHBondContact O-N 2.8Å; K26-V32 HydrophobicContact CG-CG1 4Å; K26-I39 HydrophobicContact CB-CB 4.37Å; K26-I39 HydrophobicContact CB-CG2 4.08Å; K26-I39 WeakPolarHBondContact CD-O 3.37Å; K26-I39 HydrophobicContact CG-CB 4.49Å; K26-V41 HydrophobicContact CB-CG1 3.74Å; K26-V41 HydrophobicContact CD-CG1 3.97Å; K26-V41 HydrophobicContact CG-CG1 4.43Å
27	K	89.3	Confident	88.1	Confident	123 Å²	123	80.6 Å²	80.6	54%	0.535	38%	0.384	S	S	.	.	H	α-helix	trans	-65.7	-31.9	-178.3	-70	176.3	178.6	163.9	0	113.8	R22 Q23 E24 R33	R22-K27 WeakPolarHBondContact O-CE 2.96Å; R22-K27 PolarHBondContact O-NZ 3.35Å; Q23-K27 PolarHBondContact O-N 2.87Å; Q23-K27 VanDerWaalsContact O-N 3.14Å; E24-K27 PolarHBondContact O-N 3.28Å; K27-R33 PolarHBondContact O-NE 3.31Å; K27-R33 PolarHBondContact O-NH2 3.4Å
28	S	89.9	Confident	88.1	Confident	27 Å²	27	76.2 Å²	76.2	19%	0.189	37%	0.365	C	S	.	.	H	α-helix	trans	-90.8	-8.3	179.8	-62.7	0	0	0	0	113.7	E24 K26 P30	E24-S28 VanDerWaalsContact O-CB 3.31Å; E24-S28 WeakPolarHBondContact O-CB 3.48Å; E24-S28 PolarHBondContact O-N 2.95Å; E24-S28 PolarHBondContact O-OG 3.37Å; K26-S28 VanDerWaalsContact C-N 3.33Å; K26-S28 PolarHBondContact O-N 3.45Å; S28-P30 VanDerWaalsContact O-CD 3.32Å; S28-P30 WeakPolarHBondContact O-CD 3.5Å
29	C	90.5	Very high	88.3	Confident	7 Å²	7	76.2 Å²	76.2	5%	0.047	37%	0.365	C	S	.	.			trans	-70.6	120.4	179.3	-176.4	0	0	0	0	110.9	C25 K26 V31 V32 R33 I39	C25-C29 PolarHBondContact O-N 2.94Å; K26-C29 PolarHBondContact O-N 2.8Å; C29-V31 VanDerWaalsContact C-N 3.29Å; C29-V31 PolarHBondContact O-N 3.12Å; C29-V32 HydrophobicContact CB-CB 3.98Å; C29-V32 HydrophobicContact CB-CG2 3.75Å; C29-V32 PolarHBondContact O-N 3.06Å; C29-R33 WeakPolarHBondContact O-CG 3.3Å; C29-R33 PolarHBondContact O-N 3.13Å; C29-I39 HydrophobicContact CB-CD1 3.81Å; C29-I39 HydrophobicContact CB-CG1 4.38Å
30	P	90.8	Very high	88.5	Confident	39 Å²	39	72.3 Å²	72.3	25%	0.253	35%	0.349	S	S	.	.	H	α-helix	trans	-59.9	-39.2	178.4	-23.7	34	0	0	0	112.6	S28 V32 R33 M34 I56 I60	S28-P30 VanDerWaalsContact O-CD 3.32Å; S28-P30 WeakPolarHBondContact O-CD 3.5Å; P30-V32 VanDerWaalsContact C-N 3.33Å; P30-V32 PolarHBondContact O-N 3.35Å; P30-R33 CarbonylContact O-C 3.56Å; P30-R33 WeakPolarHBondContact O-CB 3.42Å; P30-R33 PolarHBondContact O-N 2.88Å; P30-R33 VanDerWaalsContact O-N 3.12Å; P30-M34 WeakPolarHBondContact O-CG 3.38Å; P30-M34 PolarHBondContact O-N 3.27Å; P30-I56 HydrophobicContact CB-CD1 4.49Å; P30-I60 HydrophobicContact CG-CD1 3.79Å
31	V	89.5	Confident	88.7	Confident	7 Å²	7	64.5 Å²	64.5	4%	0.042	32%	0.316	C	S	.	.	H	α-helix	trans	-65.9	-37	-178.5	-175.8	0	0	0	0	111.5	C29 M34 K36 C38 L54 I56	C29-V31 VanDerWaalsContact C-N 3.29Å; C29-V31 PolarHBondContact O-N 3.12Å; V31-M34 PolarHBondContact O-N 2.87Å; V31-K36 HydrophobicContact CG1-CB 3.73Å; V31-K36 HydrophobicContact CG1-CD 4.19Å; V31-K36 HydrophobicContact CG1-CG 4.49Å; V31-K36 PolarHBondContact O-N 3.27Å; V31-K36 VanDerWaalsContact O-N 3.13Å; V31-C38 HydrophobicContact CB-CB 3.76Å; V31-C38 HydrophobicContact CG1-CB 3.59Å; V31-L54 HydrophobicContact CG1-CB 4.38Å; V31-I56 HydrophobicContact CG2-CB 4.36Å; V31-I56 HydrophobicContact CG2-CD1 4.05Å; V31-I56 HydrophobicContact CG2-CG1 3.84Å; V31-I56 HydrophobicContact CG2-CG2 3.8Å
32	V	88.8	Confident	88.8	Confident	33 Å²	33	66.6 Å²	66.6	20%	0.2	33%	0.328	C	S	.	.	H	α-helix	trans	-68.6	-38.2	172.8	179.2	0	0	0	0	111.3	K26 C29 P30 M34 G35 K36 C38 I39	K26-V32 HydrophobicContact CG-CG1 4Å; C29-V32 HydrophobicContact CB-CB 3.98Å; C29-V32 HydrophobicContact CB-CG2 3.75Å; C29-V32 PolarHBondContact O-N 3.06Å; P30-V32 VanDerWaalsContact C-N 3.33Å; P30-V32 PolarHBondContact O-N 3.35Å; V32-M34 PolarHBondContact O-N 3.42Å; V32-G35 PolarHBondContact O-N 3.09Å; V32-K36 WeakPolarHBondContact CA-O 3.25Å; V32-C38 HydrophobicContact CG2-CB 3.98Å; V32-I39 HydrophobicContact CG2-CB 4.16Å; V32-I39 HydrophobicContact CG2-CG1 4.42Å
33	R	88.7	Confident	88.6	Confident	190 Å²	190	60.2 Å²	60.2	72%	0.717	31%	0.312	S	S	*	.	H	α-helix	trans	-64.9	-28.1	174.3	-69.9	-179.7	177.9	-160.2	-4.6	113.2	K27 C29 P30 G35	K27-R33 PolarHBondContact O-NE 3.31Å; K27-R33 PolarHBondContact O-NH2 3.4Å; C29-R33 WeakPolarHBondContact O-CG 3.3Å; C29-R33 PolarHBondContact O-N 3.13Å; P30-R33 CarbonylContact O-C 3.56Å; P30-R33 WeakPolarHBondContact O-CB 3.42Å; P30-R33 PolarHBondContact O-N 2.88Å; P30-R33 VanDerWaalsContact O-N 3.12Å; R33-G35 PolarHBondContact O-N 3.22Å
34	M	89.3	Confident	88.4	Confident	147 Å²	147	65.5 Å²	65.5	72%	0.724	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	3.9	170.9	-64.6	174.5	74.1	0	0	113.3	P30 V31 V32	P30-M34 WeakPolarHBondContact O-CG 3.38Å; P30-M34 PolarHBondContact O-N 3.27Å; V31-M34 PolarHBondContact O-N 2.87Å; V32-M34 PolarHBondContact O-N 3.42Å
35	G	86.4	Confident	88.2	Confident	66 Å²	66	64.6 Å²	64.6	68%	0.68	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	87	5.7	177.4	0	0	0	0	0	115.5	V32 R33	V32-G35 PolarHBondContact O-N 3.09Å; R33-G35 PolarHBondContact O-N 3.22Å
36	K	88.9	Confident	87.9	Confident	119 Å²	119	73.6 Å²	73.6	52%	0.517	37%	0.374	S	S	.	.			trans	-92.8	145.2	177.4	-65	-175.6	-178.3	-176.3	0	111.7	V31 V32 C38 L54	V31-K36 HydrophobicContact CG1-CB 3.73Å; V31-K36 HydrophobicContact CG1-CD 4.19Å; V31-K36 HydrophobicContact CG1-CG 4.49Å; V31-K36 PolarHBondContact O-N 3.27Å; V31-K36 VanDerWaalsContact O-N 3.13Å; V32-K36 WeakPolarHBondContact CA-O 3.25Å; K36-C38 PolarHBondContact O-N 3.36Å; K36-L54 HydrophobicContact CD-CD2 4.39Å
37	L	87.4	Confident	87.7	Confident	115 Å²	115	72.6 Å²	72.6	60%	0.602	37%	0.371	S	S	*	.			trans	-79.3	62.4	-178.6	-63.4	173.5	0	0	0	112.8	L54	L37-L54 WeakPolarHBondContact O-CD1 3.18Å
38	C	87	Confident	87.6	Confident	1 Å²	1	66.9 Å²	66.9	1%	0.007	35%	0.347	C	S	.	.	S	Bend	trans	-78.5	-34.5	-179.8	179.8	0	0	0	0	113.5	V31 V32 K36 I50 S51 L54 C55	V31-C38 HydrophobicContact CB-CB 3.76Å; V31-C38 HydrophobicContact CG1-CB 3.59Å; V32-C38 HydrophobicContact CG2-CB 3.98Å; K36-C38 PolarHBondContact O-N 3.36Å; C38-I50 WeakPolarHBondContact O-CA 3.28Å; C38-S51 PolarHBondContact O-N 3.09Å; C38-L54 HydrophobicContact CB-CB 4.06Å; C38-C55 VanDerWaalsContact SG-CA 3.56Å
39	I	89.9	Confident	87.6	Confident	3 Å²	3	70.1 Å²	70.1	2%	0.015	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	119.7	179.4	-56.1	-176.4	0	0	0	108.9	C25 K26 C29 V32 V41 W49 I50 C61	C25-I39 WeakPolarHBondContact O-CD1 3.24Å; K26-I39 HydrophobicContact CB-CB 4.37Å; K26-I39 HydrophobicContact CB-CG2 4.08Å; K26-I39 WeakPolarHBondContact CD-O 3.37Å; K26-I39 HydrophobicContact CG-CB 4.49Å; C29-I39 HydrophobicContact CB-CD1 3.81Å; C29-I39 HydrophobicContact CB-CG1 4.38Å; V32-I39 HydrophobicContact CG2-CB 4.16Å; V32-I39 HydrophobicContact CG2-CG1 4.42Å; I39-V41 HydrophobicContact CG2-CG1 4.16Å; I39-W49 WeakPolarHBondContact CA-O 3.47Å; I39-I50 HydrophobicContact CG1-CG1 4.19Å; I39-I50 HydrophobicContact CG1-CG2 4.39Å; I39-I50 HydrophobicContact CG2-CG1 4.37Å; I39-C61 HydrophobicContact CD1-CB 3.99Å
40	E	89.1	Confident	87.6	Confident	90 Å²	90	70 Å²	70	42%	0.421	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	112.1	177.1	-65.3	-174.2	-158.5	0	0	109.6	W49	E40-W49 HydrophobicContact CB-CB 4.38Å; E40-W49 HydrophobicContact CB-CE3 4.02Å; E40-W49 HydrophobicContact CG-CE3 3.91Å; E40-W49 HydrophobicContact CG-CZ3 4.24Å; E40-W49 PolarHBondContact N-O 2.87Å; E40-W49 PolarHBondContact O-N 3.02Å
41	V	88.8	Confident	87.4	Confident	6 Å²	6	68.5 Å²	68.5	4%	0.036	35%	0.345	C	S	.	.			trans	-154.1	131.5	175.8	59.4	0	0	0	0	108.2	P18 Q23 K26 I39 A48	P18-V41 HydrophobicContact CB-CG2 3.67Å; P18-V41 HydrophobicContact CG-CG2 3.76Å; Q23-V41 HydrophobicContact CB-CG1 3.92Å; Q23-V41 HydrophobicContact CG-CG1 3.89Å; Q23-V41 HydrophobicContact CG-CG2 4.09Å; K26-V41 HydrophobicContact CB-CG1 3.74Å; K26-V41 HydrophobicContact CD-CG1 3.97Å; K26-V41 HydrophobicContact CG-CG1 4.43Å; I39-V41 HydrophobicContact CG2-CG1 4.16Å; V41-A48 HydrophobicContact CB-CB 3.85Å; V41-A48 HydrophobicContact CG2-CB 3.97Å
42	T	87.2	Confident	87.2	Confident	63 Å²	63	69.9 Å²	69.9	39%	0.387	35%	0.351	S	S	.	.			trans	-116.9	161.1	172.2	70.3	0	0	0	0	109.2	P18 Q44 S45	P18-T42 WeakPolarHBondContact CB-O 3.47Å; T42-Q44 PolarHBondContact O-N 3.42Å; T42-S45 PolarHBondContact N-OG 3.07Å; T42-S45 VanDerWaalsContact O-CB 3.32Å; T42-S45 WeakPolarHBondContact O-CB 3.33Å; T42-S45 PolarHBondContact O-N 2.86Å; T42-S45 VanDerWaalsContact O-N 3.08Å; T42-S45 PolarHBondContact OG1-N 3.3Å; T42-S45 VanDerWaalsContact OG1-N 3.11Å; T42-S45 PolarHBondContact OG1-OG 3.27Å
43	P	82.7	Confident	86.9	Confident	61 Å²	61	73.7 Å²	73.7	40%	0.396	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-30	174.1	-22.7	31.1	0	0	0	113.5	K19	K19-P43 WeakPolarHBondContact CG-O 3.38Å
44	Q	84.1	Confident	86.8	Confident	146 Å²	146	67.5 Å²	67.5	68%	0.682	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-18.6	179.7	-60.7	80.3	1.5	0	0	112.9	T42	T42-Q44 PolarHBondContact O-N 3.42Å
45	S	83.5	Confident	86.6	Confident	34 Å²	34	61 Å²	61	24%	0.238	32%	0.324	C	S	.	.			trans	-59.3	138.8	179	-62.4	0	0	0	0	110.9	P18 T42 I47	P18-S45 WeakPolarHBondContact CB-O 3.44Å; P18-S45 WeakPolarHBondContact CG-O 3.48Å; T42-S45 PolarHBondContact N-OG 3.07Å; T42-S45 VanDerWaalsContact O-CB 3.32Å; T42-S45 WeakPolarHBondContact O-CB 3.33Å; T42-S45 PolarHBondContact O-N 2.86Å; T42-S45 VanDerWaalsContact O-N 3.08Å; T42-S45 PolarHBondContact OG1-N 3.3Å; T42-S45 VanDerWaalsContact OG1-N 3.11Å; T42-S45 PolarHBondContact OG1-OG 3.27Å; S45-I47 WeakPolarHBondContact CB-O 3.24Å
46	K	83.9	Confident	86.6	Confident	199 Å²	199	62.1 Å²	62.1	87%	0.865	31%	0.313	S	S	*	.	S	Bend	trans	-70.6	-35.2	172.5	-68.4	-176.5	-179.8	178	0	111.7
47	I	85.7	Confident	86.3	Confident	48 Å²	48	57.6 Å²	57.6	25%	0.246	30%	0.301	C	S	.	.	S	Bend	trans	-143.9	155.5	-176.6	-168.6	162.1	0	0	0	110.3	V11 H13 C16 S45	V11-I47 HydrophobicContact CB-CD1 3.95Å; V11-I47 HydrophobicContact CB-CG1 4.12Å; V11-I47 HydrophobicContact CG1-CD1 3.64Å; V11-I47 HydrophobicContact CG1-CG1 3.42Å; V11-I47 VanDerWaalsContact CG1-CG1 3.42Å; H13-I47 HydrophobicContact CB-CD1 4.46Å; H13-I47 WeakPolarHBondContact CE1-CD1 3.33Å; H13-I47 VanDerWaalsContact ND1-CD1 3.31Å; H13-I47 WeakPolarHBondContact ND1-CD1 3.33Å; C16-I47 HydrophobicContact CB-CG1 4.22Å; S45-I47 WeakPolarHBondContact CB-O 3.24Å
48	A	88.3	Confident	86.2	Confident	3 Å²	3	54.8 Å²	54.8	3%	0.025	29%	0.29	C	S	.	.			trans	-82.1	139.5	169.5	0	0	0	0	0	110.6	V11 V41	V11-A48 WeakPolarHBondContact CG2-O 3.44Å; V41-A48 HydrophobicContact CB-CB 3.85Å; V41-A48 HydrophobicContact CG2-CB 3.97Å
49	W	89.2	Confident	86	Confident	96 Å²	96	55.5 Å²	55.5	36%	0.364	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	138.7	171.8	-179.9	89.6	0	0	0	109.9	I39 E40	I39-W49 WeakPolarHBondContact CA-O 3.47Å; E40-W49 HydrophobicContact CB-CB 4.38Å; E40-W49 HydrophobicContact CB-CE3 4.02Å; E40-W49 HydrophobicContact CG-CE3 3.91Å; E40-W49 HydrophobicContact CG-CZ3 4.24Å; E40-W49 PolarHBondContact N-O 2.87Å; E40-W49 PolarHBondContact O-N 3.02Å
50	I	89.7	Confident	86	Confident	3 Å²	3	58.2 Å²	58.2	2%	0.015	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	120.8	-179.2	-57.2	-176.5	0	0	0	109.1	A9 V11 C38 I39 E52 C55 L70 N90	A9-I50 HydrophobicContact CB-CB 3.78Å; A9-I50 HydrophobicContact CB-CD1 4.38Å; A9-I50 HydrophobicContact CB-CG2 3.6Å; V11-I50 HydrophobicContact CG2-CD1 4.17Å; V11-I50 HydrophobicContact CG2-CG1 4.28Å; C38-I50 WeakPolarHBondContact O-CA 3.28Å; I39-I50 HydrophobicContact CG1-CG1 4.19Å; I39-I50 HydrophobicContact CG1-CG2 4.39Å; I39-I50 HydrophobicContact CG2-CG1 4.37Å; I50-E52 PolarHBondContact O-N 2.93Å; I50-C55 HydrophobicContact CG2-CB 4.39Å; I50-L70 HydrophobicContact CD1-CD1 4.15Å; I50-L70 HydrophobicContact CD1-CD2 3.8Å; I50-L70 HydrophobicContact CD1-CG 4.46Å; I50-N90 PolarHBondContact N-OD1 3.3Å; I50-N90 PolarHBondContact O-ND2 3.43Å; I50-N90 PolarHBondContact O-OD1 2.93Å
51	S	88.4	Confident	85.9	Confident	8 Å²	8	54.2 Å²	54.2	6%	0.056	29%	0.293	C	S	.	.			trans	-68.8	112.4	172.2	176.8	0	0	0	0	110.6	C38 T53 L54 C55	C38-S51 PolarHBondContact O-N 3.09Å; S51-T53 VanDerWaalsContact C-N 3.26Å; S51-T53 PolarHBondContact O-N 3.31Å; S51-T53 PolarHBondContact OG-OG1 3.2Å; S51-T53 VanDerWaalsContact OG-OG1 3.07Å; S51-L54 WeakPolarHBondContact OG-CG 3.38Å; S51-L54 PolarHBondContact OG-N 3.48Å; S51-C55 WeakPolarHBondContact O-CB 3.4Å; S51-C55 PolarHBondContact O-N 2.86Å
52	E	83.3	Confident	85.8	Confident	36 Å²	36	56.6 Å²	56.6	17%	0.168	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-28.6	177.2	-67	-178	161.1	0	0	112.3	R7 I8 A9 I50 R86 K93	R7-E52 WeakPolarHBondContact O-CB 3.31Å; I8-E52 WeakPolarHBondContact CA-OE1 3.32Å; A9-E52 HydrophobicContact CB-CG 4.16Å; A9-E52 PolarHBondContact N-OE1 2.74Å; A9-E52 VanDerWaalsContact N-OE1 3.1Å; I50-E52 PolarHBondContact O-N 2.93Å; E52-R86 IonicContact OE1-CZ 2.93Å; E52-R86 IonicContact OE1-NH1 3.24Å; E52-R86 IonicContact OE1-NH2 3.55Å; E52-R86 PolarHBondContact OE1-NH2 3.12Å; E52-R86 IonicContact OE2-CZ 3.14Å; E52-R86 IonicContact OE2-NH1 2.85Å; E52-R86 PolarHBondContact OE2-NH1 2.81Å; E52-R86 IonicContact OE2-NH2 3.5Å; E52-K93 IonicContact OE1-NZ 3.55Å; E52-K93 WeakPolarHBondContact OE2-CE 3.46Å; E52-K93 IonicContact OE2-NZ 3.65Å; E52-K93 PolarHBondContact OE2-NZ 2.91Å
53	T	84.4	Confident	85.8	Confident	113 Å²	113	62.6 Å²	62.6	69%	0.693	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-34	-179.4	55.4	0	0	0	0	112.9	S51	S51-T53 VanDerWaalsContact C-N 3.26Å; S51-T53 PolarHBondContact O-N 3.31Å; S51-T53 PolarHBondContact OG-OG1 3.2Å; S51-T53 VanDerWaalsContact OG-OG1 3.07Å
54	L	86.2	Confident	86.1	Confident	61 Å²	61	65.4 Å²	65.4	32%	0.319	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	-25	179	-63.2	176.4	0	0	0	112.9	V31 K36 L37 C38 S51 I56	V31-L54 HydrophobicContact CG1-CB 4.38Å; K36-L54 HydrophobicContact CD-CD2 4.39Å; L37-L54 WeakPolarHBondContact O-CD1 3.18Å; C38-L54 HydrophobicContact CB-CB 4.06Å; S51-L54 WeakPolarHBondContact OG-CG 3.38Å; S51-L54 PolarHBondContact OG-N 3.48Å; L54-I56 PolarHBondContact O-N 2.76Å
55	C	85	Confident	86.3	Confident	9 Å²	9	59.4 Å²	59.4	6%	0.061	31%	0.305	C	S	.	.			trans	-64.9	122.8	-178.2	-178.2	0	0	0	0	111.2	R7 C38 I50 S51 G57	R7-C55 PolarHBondContact NH1-O 3.11Å; C38-C55 VanDerWaalsContact SG-CA 3.56Å; I50-C55 HydrophobicContact CG2-CB 4.39Å; S51-C55 WeakPolarHBondContact O-CB 3.4Å; S51-C55 PolarHBondContact O-N 2.86Å; C55-G57 VanDerWaalsContact C-N 3.31Å; C55-G57 PolarHBondContact O-N 2.92Å; C55-G57 PolarHBondContact SG-N 2.93Å; C55-G57 VanDerWaalsContact SG-N 3.43Å
56	I	86.3	Confident	86.3	Confident	91 Å²	91	61.5 Å²	61.5	47%	0.467	32%	0.318	S	S	.	.			trans	-83.2	0.8	177.6	61.2	172.7	0	0	0	114.3	R7 P30 V31 L54 C58	R7-I56 PolarHBondContact NH1-O 2.97Å; R7-I56 PolarHBondContact NH2-O 3.32Å; P30-I56 HydrophobicContact CB-CD1 4.49Å; V31-I56 HydrophobicContact CG2-CB 4.36Å; V31-I56 HydrophobicContact CG2-CD1 4.05Å; V31-I56 HydrophobicContact CG2-CG1 3.84Å; V31-I56 HydrophobicContact CG2-CG2 3.8Å; L54-I56 PolarHBondContact O-N 2.76Å; I56-C58 VanDerWaalsContact C-N 3.32Å; I56-C58 HydrophobicContact CD1-CB 4.25Å; I56-C58 HydrophobicContact CG1-CB 4.15Å; I56-C58 PolarHBondContact O-N 2.91Å
57	G	82.6	Confident	86.3	Confident	24 Å²	24	55.7 Å²	55.7	25%	0.247	29%	0.293	C	S	.	.			trans	71.9	17.8	177.5	0	0	0	0	0	115.7	C55 G59	C55-G57 VanDerWaalsContact C-N 3.31Å; C55-G57 PolarHBondContact O-N 2.92Å; C55-G57 PolarHBondContact SG-N 2.93Å; C55-G57 VanDerWaalsContact SG-N 3.43Å; G57-G59 PolarHBondContact O-N 3.4Å
58	C	84.5	Confident	86.1	Confident	56 Å²	56	55.6 Å²	55.6	38%	0.378	31%	0.305	S	S	.	.			trans	-63.2	-12.2	-177.8	64.3	0	0	0	0	115.5	I56 I60	I56-C58 VanDerWaalsContact C-N 3.32Å; I56-C58 HydrophobicContact CD1-CB 4.25Å; I56-C58 HydrophobicContact CG1-CB 4.15Å; I56-C58 PolarHBondContact O-N 2.91Å; C58-I60 HydrophobicContact CB-CD1 4.12Å; C58-I60 HydrophobicContact CB-CG1 4.13Å; C58-I60 PolarHBondContact O-N 3.36Å
59	G	84.3	Confident	85.9	Confident	16 Å²	16	55.6 Å²	55.6	17%	0.165	31%	0.305	C	S	.	.			trans	67.7	1	179.9	0	0	0	0	0	115.8	G57 C61 I62 K63	G57-G59 PolarHBondContact O-N 3.4Å; G59-C61 PolarHBondContact O-N 3.11Å; G59-I62 WeakPolarHBondContact O-CB 3.44Å; G59-I62 PolarHBondContact O-N 3.29Å; G59-K63 PolarHBondContact O-N 3.07Å
60	I	88.4	Confident	85.8	Confident	60 Å²	60	51.4 Å²	51.4	31%	0.308	29%	0.289	S	S	.	.	H	α-helix	trans	-63.9	-41.6	-177.1	-62.4	171.3	0	0	0	111.3	P30 C58 I62 K63 K64	P30-I60 HydrophobicContact CG-CD1 3.79Å; C58-I60 HydrophobicContact CB-CD1 4.12Å; C58-I60 HydrophobicContact CB-CG1 4.13Å; C58-I60 PolarHBondContact O-N 3.36Å; I60-I62 VanDerWaalsContact C-N 3.28Å; I60-I62 PolarHBondContact O-N 3.23Å; I60-K63 PolarHBondContact O-N 2.83Å; I60-K64 HydrophobicContact CG2-CG 4.08Å; I60-K64 WeakPolarHBondContact O-CB 3.41Å; I60-K64 WeakPolarHBondContact O-CG 3.31Å; I60-K64 PolarHBondContact O-N 3.44Å
61	C	87.8	Confident	85.5	Confident	5 Å²	5	53.3 Å²	53.3	3%	0.034	30%	0.303	C	S	.	.	H	α-helix	trans	-63.9	-33.2	179.9	56.4	0	0	0	0	112.7	C25 I39 G59 C65 L70 I72	C25-C61 HydrophobicContact CB-CB 4Å; I39-C61 HydrophobicContact CD1-CB 3.99Å; G59-C61 PolarHBondContact O-N 3.11Å; C61-C65 WeakPolarHBondContact O-CB 3.37Å; C61-C65 PolarHBondContact O-N 3.17Å; C61-L70 HydrophobicContact CB-CD1 4.01Å; C61-I72 WeakPolarHBondContact SG-CD1 3.45Å
62	I	86.4	Confident	85.4	Confident	56 Å²	56	54.1 Å²	54.1	29%	0.287	31%	0.306	S	S	.	.	H	α-helix	trans	-63.4	-53.5	175.3	-56.7	171.2	0	0	0	109.2	G59 I60 K64 C65 L70 I72	G59-I62 WeakPolarHBondContact O-CB 3.44Å; G59-I62 PolarHBondContact O-N 3.29Å; I60-I62 VanDerWaalsContact C-N 3.28Å; I60-I62 PolarHBondContact O-N 3.23Å; I62-K64 VanDerWaalsContact C-N 3.27Å; I62-K64 PolarHBondContact O-N 3.18Å; I62-C65 PolarHBondContact O-N 3.09Å; I62-L70 HydrophobicContact CG1-CB 4.44Å; I62-L70 WeakPolarHBondContact CG2-O 3.41Å; I62-I72 HydrophobicContact CD1-CB 3.96Å; I62-I72 HydrophobicContact CD1-CD1 4.41Å; I62-I72 HydrophobicContact CD1-CG1 4.13Å; I62-I72 VanDerWaalsContact CD1-N 3.32Å; I62-I72 HydrophobicContact CG1-CD1 4.44Å; I62-I72 HydrophobicContact CG1-CG1 4.37Å
63	K	87.3	Confident	85.3	Confident	189 Å²	189	53.7 Å²	53.7	82%	0.822	31%	0.306	S	S	*	.	H	α-helix	trans	-64.4	-29.7	-178.8	-66.7	-176.3	179.5	-178.2	0	113.5	G59 I60	G59-K63 PolarHBondContact O-N 3.07Å; I60-K63 PolarHBondContact O-N 2.83Å
64	K	89.1	Confident	85	Confident	120 Å²	120	52.5 Å²	52.5	52%	0.522	30%	0.295	S	S	.	.	H	α-helix	trans	-91.7	-10.6	-178.8	-66.2	-64.4	-177	-175.1	0	113.7	E24 I60 I62 P66	E24-K64 HydrophobicContact CB-CB 4.43Å; E24-K64 WeakPolarHBondContact CB-O 3.26Å; I60-K64 HydrophobicContact CG2-CG 4.08Å; I60-K64 WeakPolarHBondContact O-CB 3.41Å; I60-K64 WeakPolarHBondContact O-CG 3.31Å; I60-K64 PolarHBondContact O-N 3.44Å; I62-K64 VanDerWaalsContact C-N 3.27Å; I62-K64 PolarHBondContact O-N 3.18Å; K64-P66 WeakPolarHBondContact O-CD 3.31Å
65	C	88	Confident	84.5	Confident	20 Å²	20	49.8 Å²	49.8	14%	0.135	28%	0.281	C	S	.	.			trans	-71.4	117	175.9	-174.7	0	0	0	0	109.5	C61 I62 F67 G68 A69 L70	C61-C65 WeakPolarHBondContact O-CB 3.37Å; C61-C65 PolarHBondContact O-N 3.17Å; I62-C65 PolarHBondContact O-N 3.09Å; C65-F67 PolarHBondContact O-N 2.85Å; C65-F67 VanDerWaalsContact O-N 3.17Å; C65-G68 PolarHBondContact O-N 2.98Å; C65-A69 PolarHBondContact SG-N 3.35Å; C65-A69 VanDerWaalsContact SG-N 3.44Å; C65-L70 HydrophobicContact CB-CD1 4.26Å; C65-L70 HydrophobicContact CB-CG 4.32Å
66	P	83.1	Confident	83.7	Confident	78 Å²	78	52 Å²	52	51%	0.506	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-20.4	-177.8	26.6	-34.3	0	0	0	113	C21 K64	C21-P66 HydrophobicContact CB-CG 3.69Å; K64-P66 WeakPolarHBondContact O-CD 3.31Å
67	F	83.9	Confident	82.8	Confident	77 Å²	77	49.4 Å²	49.4	34%	0.338	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	2.3	-178.3	-57	-60.8	0	0	0	113.8	K15 K17 K20 C21 C65 A69	K15-F67 VanDerWaalsContact O-CB 3.26Å; K15-F67 WeakPolarHBondContact O-CB 3.31Å; K17-F67 HydrophobicContact CB-CD2 4.33Å; K17-F67 HydrophobicContact CB-CE2 3.96Å; K17-F67 HydrophobicContact CB-CZ 4.45Å; K20-F67 HydrophobicContact CB-CE2 4.06Å; K20-F67 HydrophobicContact CB-CZ 3.65Å; C21-F67 HydrophobicContact CB-CD2 4.34Å; C21-F67 HydrophobicContact CB-CE2 3.76Å; C65-F67 PolarHBondContact O-N 2.85Å; C65-F67 VanDerWaalsContact O-N 3.17Å; F67-A69 HydrophobicContact CB-CB 4.42Å; F67-A69 PolarHBondContact O-N 3.29Å; F67-A69 VanDerWaalsContact O-N 3.12Å
68	G	81.6	Confident	82.2	Confident	47 Å²	47	54.3 Å²	54.3	49%	0.485	31%	0.306	S	S	.	.			trans	54.7	33.1	-176.4	0	0	0	0	0	113.4	C65	C65-G68 PolarHBondContact O-N 2.98Å
69	A	84.8	Confident	81.9	Confident	3 Å²	3	52 Å²	52	3%	0.025	29%	0.289	C	S	.	.			trans	-85.3	-9.6	-171.3	0	0	0	0	0	113.9	V11 N12 K15 C16 C65 F67	V11-A69 WeakPolarHBondContact CA-O 3.14Å; N12-A69 PolarHBondContact N-O 3.14Å; K15-A69 HydrophobicContact CB-CB 3.61Å; C16-A69 HydrophobicContact CB-CB 3.9Å; C65-A69 PolarHBondContact SG-N 3.35Å; C65-A69 VanDerWaalsContact SG-N 3.44Å; F67-A69 HydrophobicContact CB-CB 4.42Å; F67-A69 PolarHBondContact O-N 3.29Å; F67-A69 VanDerWaalsContact O-N 3.12Å
70	L	87.1	Confident	81.4	Confident	7 Å²	7	56.1 Å²	56.1	4%	0.037	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	135.9	-174	-56.4	179.5	0	0	0	109.7	I10 V11 C25 I50 C61 I62 C65	I10-L70 WeakPolarHBondContact O-CA 3.04Å; V11-L70 HydrophobicContact CB-CD2 4.1Å; V11-L70 HydrophobicContact CG1-CD2 3.79Å; V11-L70 HydrophobicContact CG2-CD2 3.5Å; V11-L70 VanDerWaalsContact CG2-CD2 3.5Å; C25-L70 HydrophobicContact CB-CD1 3.51Å; I50-L70 HydrophobicContact CD1-CD1 4.15Å; I50-L70 HydrophobicContact CD1-CD2 3.8Å; I50-L70 HydrophobicContact CD1-CG 4.46Å; C61-L70 HydrophobicContact CB-CD1 4.01Å; I62-L70 HydrophobicContact CG1-CB 4.44Å; I62-L70 WeakPolarHBondContact CG2-O 3.41Å; C65-L70 HydrophobicContact CB-CD1 4.26Å; C65-L70 HydrophobicContact CB-CG 4.32Å
71	S	83.9	Confident	80.9	Confident	43 Å²	43	61.5 Å²	61.5	30%	0.301	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	142.2	165	54.9	0	0	0	0	109.6	A9 I10	A9-S71 CarbonylContact C-O 3.51Å; A9-S71 WeakPolarHBondContact CA-O 3.48Å; I10-S71 WeakPolarHBondContact CB-OG 3.5Å; I10-S71 PolarHBondContact N-O 3.06Å; I10-S71 PolarHBondContact O-N 3.02Å
72	I	85.2	Confident	80.7	Confident	26 Å²	26	64.1 Å²	64.1	13%	0.133	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	120.4	173.7	-60.7	165.9	0	0	0	106.3	R7 I8 A9 C61 I62	R7-I72 HydrophobicContact CB-CG2 4.33Å; I8-I72 CarbonylContact O-C 3.35Å; I8-I72 VanDerWaalsContact O-CA 3.32Å; I8-I72 WeakPolarHBondContact O-CA 3.47Å; A9-I72 HydrophobicContact CB-CG1 4.35Å; C61-I72 WeakPolarHBondContact SG-CD1 3.45Å; I62-I72 HydrophobicContact CD1-CB 3.96Å; I62-I72 HydrophobicContact CD1-CD1 4.41Å; I62-I72 HydrophobicContact CD1-CG1 4.13Å; I62-I72 VanDerWaalsContact CD1-N 3.32Å; I62-I72 HydrophobicContact CG1-CD1 4.44Å; I62-I72 HydrophobicContact CG1-CG1 4.37Å
73	V	81	Confident	80.8	Confident	26 Å²	26	62.1 Å²	62.1	16%	0.158	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	126.3	179.8	-170.9	0	0	0	0	108.2	R7 I8 I10 V292 A295 Y296	R7-V73 CarbonylContact C-O 3.59Å; R7-V73 WeakPolarHBondContact CA-O 3.37Å; I8-V73 PolarHBondContact N-O 3.05Å; I8-V73 PolarHBondContact O-N 3.07Å; I10-V73 HydrophobicContact CD1-CG2 4.27Å; V73-V292 HydrophobicContact CG1-CG2 4.47Å; V73-A295 HydrophobicContact CG2-CB 4.16Å; V73-Y296 HydrophobicContact CG1-CD1 4.27Å; V73-Y296 HydrophobicContact CG1-CE1 3.73Å
74	N	78.3	Confident	81	Confident	88 Å²	88	53.1 Å²	53.1	47%	0.471	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	126	172.4	-63.8	-40.6	0	0	0	107.9	R7	R7-N74 WeakPolarHBondContact CD-OD1 3.49Å; R7-N74 WeakPolarHBondContact CG-OD1 3.17Å; R7-N74 PolarHBondContact NE-OD1 3.2Å
75	L	75.2	Confident	81.1	Confident	5 Å²	5	47.9 Å²	47.9	3%	0.026	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	149.8	173.3	-75.1	179.1	0	0	0	110.6	T6 I8 S77 L79 Y296	T6-L75 PolarHBondContact O-N 3.38Å; T6-L75 PolarHBondContact OG1-O 3.28Å; I8-L75 HydrophobicContact CD1-CD1 3.41Å; I8-L75 VanDerWaalsContact CD1-CD1 3.41Å; I8-L75 HydrophobicContact CD1-CD2 3.96Å; I8-L75 HydrophobicContact CD1-CG 3.75Å; I8-L75 HydrophobicContact CG1-CD1 3.45Å; I8-L75 VanDerWaalsContact CG1-CD1 3.45Å; I8-L75 HydrophobicContact CG1-CG 3.8Å; L75-S77 PolarHBondContact O-N 3.48Å; L75-L79 HydrophobicContact CD2-CD1 4.48Å; L75-Y296 HydrophobicContact CD2-CD1 3.99Å; L75-Y296 HydrophobicContact CD2-CD2 3.67Å; L75-Y296 HydrophobicContact CD2-CE1 4.01Å; L75-Y296 HydrophobicContact CD2-CE2 3.67Å; L75-Y296 HydrophobicContact CD2-CG 3.83Å
76	P	69.6	Low	81.2	Confident	56 Å²	56	47.6 Å²	47.6	36%	0.364	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-51.6	134.4	156.6	-23.9	29.9	0	0	0	111.5	T6 N78 L79	T6-P76 PolarHBondContact OG1-O 3.11Å; P76-N78 PolarHBondContact O-N 3.01Å; P76-L79 HydrophobicContact CB-CD1 4.09Å; P76-L79 HydrophobicContact CB-CG 4.33Å; P76-L79 HydrophobicContact CG-CD1 3.77Å; P76-L79 PolarHBondContact O-N 3.29Å
77	S	67.8	Low	81.3	Confident	36 Å²	36	48.9 Å²	48.9	25%	0.252	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-56.7	-32.1	179.9	46.5	0	0	0	0	112.9	L75 L79	L75-S77 PolarHBondContact O-N 3.48Å; S77-L79 PolarHBondContact O-N 3.5Å
78	N	69	Low	81.3	Confident	127 Å²	127	47.2 Å²	47.2	68%	0.679	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-68.3	-29.8	-178.6	-63.8	-16.4	0	0	0	113.7	P76 E80	P76-N78 PolarHBondContact O-N 3.01Å; N78-E80 PolarHBondContact O-N 2.97Å
79	L	77.8	Confident	81.3	Confident	6 Å²	6	46.1 Å²	46.1	3%	0.031	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-75.3	-22.6	-174.5	-75.4	170.1	0	0	0	113.5	L75 P76 S77 K81 E82 H95 V298	L75-L79 HydrophobicContact CD2-CD1 4.48Å; P76-L79 HydrophobicContact CB-CD1 4.09Å; P76-L79 HydrophobicContact CB-CG 4.33Å; P76-L79 HydrophobicContact CG-CD1 3.77Å; P76-L79 PolarHBondContact O-N 3.29Å; S77-L79 PolarHBondContact O-N 3.5Å; L79-K81 VanDerWaalsContact C-N 3.26Å; L79-K81 PolarHBondContact O-N 3.29Å; L79-E82 PolarHBondContact O-N 3Å; L79-H95 HydrophobicContact CD2-CB 4.43Å; L79-H95 PolarHBondContact O-CE1 3.4Å; L79-H95 PolarHBondContact O-ND1 3.35Å; L79-V298 HydrophobicContact CD1-CG2 3.91Å; L79-V298 HydrophobicContact CD2-CG1 3.73Å; L79-V298 HydrophobicContact CD2-CG2 3.96Å
80	E	74.1	Confident	81.2	Confident	103 Å²	103	46.4 Å²	46.4	48%	0.481	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-61.4	-39.4	-178	-173.3	173.8	-134.8	0	0	111.3	T6 N78 E82 T83	T6-E80 HydrophobicContact CG2-CB 4.09Å; T6-E80 VanDerWaalsContact CG2-CD 3.47Å; T6-E80 HydrophobicContact CG2-CG 4.35Å; T6-E80 WeakPolarHBondContact CG2-OE2 3.27Å; N78-E80 PolarHBondContact O-N 2.97Å; E80-E82 PolarHBondContact O-N 3.17Å; E80-T83 PolarHBondContact O-N 3.39Å; E80-T83 PolarHBondContact O-OG1 2.73Å
81	K	78.1	Confident	81.1	Confident	174 Å²	174	46.8 Å²	46.8	76%	0.757	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-65.9	-19.9	177	-65.9	-178.2	-179	176.9	0	113.1	L79 Y146	L79-K81 VanDerWaalsContact C-N 3.26Å; L79-K81 PolarHBondContact O-N 3.29Å; K81-Y146 WeakPolarHBondContact O-CE2 3.34Å; K81-Y146 PolarHBondContact O-OH 3.3Å
82	E	84.3	Confident	81.3	Confident	60 Å²	60	46 Å²	46	28%	0.28	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-101.5	18.3	-175.3	-62.6	179.6	153.9	0	0	112.6	L79 E80 T84 H95 R96 Y146	L79-E82 PolarHBondContact O-N 3Å; E80-E82 PolarHBondContact O-N 3.17Å; E82-T84 PolarHBondContact O-N 2.84Å; E82-H95 CarbonylContact O-C 3.6Å; E82-H95 VanDerWaalsContact O-CA 3.25Å; E82-H95 WeakPolarHBondContact O-CA 3.29Å; E82-R96 HydrophobicContact CB-CG 4.07Å; E82-R96 VanDerWaalsContact CD-NE 3.3Å; E82-R96 PolarHBondContact O-N 3.01Å; E82-R96 IonicContact OE1-CZ 2.86Å; E82-R96 IonicContact OE1-NE 2.84Å; E82-R96 IonicContact OE1-NH2 3.71Å; E82-R96 PolarHBondContact OE1-NH2 2.88Å; E82-R96 IonicContact OE2-CZ 2.65Å; E82-R96 IonicContact OE2-NE 2.73Å; E82-R96 PolarHBondContact OE2-NE 3.43Å; E82-R96 IonicContact OE2-NH2 3.92Å; E82-R96 PolarHBondContact OE2-NH2 2.87Å; E82-Y146 WeakPolarHBondContact CA-OH 3.36Å
83	T	88.4	Confident	81.5	Confident	13 Å²	13	45.2 Å²	45.2	8%	0.08	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	115.2	177.9	-54.4	0	0	0	0	110	E80 H95 L131	E80-T83 PolarHBondContact O-N 3.39Å; E80-T83 PolarHBondContact O-OG1 2.73Å; T83-H95 PolarHBondContact OG1-CE1 2.8Å; T83-L131 CarbonylContact O-C 3.55Å; T83-L131 VanDerWaalsContact O-CA 3.29Å; T83-L131 WeakPolarHBondContact O-CA 3.46Å
84	T	90.6	Very high	82.1	Confident	1 Å²	1	44 Å²	44	1%	0.006	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	-47.1	177.3	-55.9	0	0	0	0	111.4	E82 L94 R96 L97 I122 P129 N130 L131 F147	E82-T84 PolarHBondContact O-N 2.84Å; T84-L94 PolarHBondContact N-O 3.3Å; T84-R96 WeakPolarHBondContact OG1-CA 3.45Å; T84-R96 PolarHBondContact OG1-N 3.03Å; T84-R96 VanDerWaalsContact OG1-N 3.14Å; T84-R96 PolarHBondContact OG1-O 3.04Å; T84-L97 HydrophobicContact CG2-CD1 3.52Å; T84-L97 HydrophobicContact CG2-CD2 3.85Å; T84-L97 HydrophobicContact CG2-CG 3.46Å; T84-L97 VanDerWaalsContact CG2-CG 3.46Å; T84-I122 HydrophobicContact CG2-CD1 4.21Å; T84-P129 HydrophobicContact CG2-CB 3.89Å; T84-N130 PolarHBondContact O-N 3.24Å; T84-L131 WeakPolarHBondContact O-CA 3.47Å; T84-L131 PolarHBondContact O-N 2.9Å; T84-F147 HydrophobicContact CG2-CZ 4.46Å
85	H	91.7	Very high	82.7	Confident	9 Å²	9	39.8 Å²	39.8	4%	0.042	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	143.1	-171.1	-167.9	75	0	0	0	113	Y87 L94 I122 Q127 N130	H85-Y87 AromaticContact NE2-CD1 3.79Å; H85-Y87 AromaticContact NE2-CE1 3.84Å; H85-L94 HydrophobicContact CB-CB 4.35Å; H85-L94 PolarHBondContact N-O 2.97Å; H85-L94 PolarHBondContact O-N 3.35Å; H85-I122 HydrophobicContact CB-CD1 3.65Å; H85-Q127 PolarHBondContact CE1-NE2 3.38Å; H85-Q127 PolarHBondContact NE2-NE2 3.2Å; H85-N130 WeakPolarHBondContact CA-OD1 3.32Å; H85-N130 PolarHBondContact ND1-OD1 3.4Å
86	R	89.9	Confident	83.6	Confident	14 Å²	14	42.2 Å²	42.2	5%	0.053	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	129	173.8	-172.5	180	-168.9	166.9	15.8	109.9	E52 C88 K93 N130 Y134	E52-R86 IonicContact OE1-CZ 2.93Å; E52-R86 IonicContact OE1-NH1 3.24Å; E52-R86 IonicContact OE1-NH2 3.55Å; E52-R86 PolarHBondContact OE1-NH2 3.12Å; E52-R86 IonicContact OE2-CZ 3.14Å; E52-R86 IonicContact OE2-NH1 2.85Å; E52-R86 PolarHBondContact OE2-NH1 2.81Å; E52-R86 IonicContact OE2-NH2 3.5Å; R86-C88 WeakPolarHBondContact CD-O 3.48Å; R86-C88 WeakPolarHBondContact CG-O 3.4Å; R86-C88 PolarHBondContact NE-O 3.38Å; R86-K93 HydrophobicContact CG-CG 4.1Å; R86-N130 PolarHBondContact N-OD1 3.03Å; R86-N130 PolarHBondContact O-ND2 2.84Å; R86-Y134 HydrophobicContact CB-CD1 4.5Å; R86-Y134 HydrophobicContact CG-CD1 4.24Å
87	Y	85.6	Confident	84.7	Confident	106 Å²	106	39.9 Å²	39.9	42%	0.416	20%	0.197	S	C	.	.	S	Bend	trans	-71.8	-40.9	-177.8	-74.4	-76.4	0	0	0	113.6	H85 T118 Q127	H85-Y87 AromaticContact NE2-CD1 3.79Å; H85-Y87 AromaticContact NE2-CE1 3.84Å; Y87-T118 HydrophobicContact CE2-CG2 4.04Å; Y87-T118 WeakPolarHBondContact OH-CG2 3.43Å; Y87-T118 PolarHBondContact OH-OG1 3.4Å; Y87-Q127 PolarHBondContact OH-OE1 3.29Å; Y87-Q127 VanDerWaalsContact OH-OE1 3.09Å
88	C	82.8	Confident	86	Confident	42 Å²	42	38.1 Å²	38.1	28%	0.284	19%	0.185	S	C	.	.	S	Bend	trans	-162.5	176.3	177.1	60.2	0	0	0	0	111.3	R86 N90 A91	R86-C88 WeakPolarHBondContact CD-O 3.48Å; R86-C88 WeakPolarHBondContact CG-O 3.4Å; R86-C88 PolarHBondContact NE-O 3.38Å; C88-N90 PolarHBondContact O-N 3.19Å; C88-A91 WeakPolarHBondContact O-CB 3.34Å; C88-A91 PolarHBondContact O-N 3.37Å; C88-A91 WeakPolarHBondContact SG-CB 3.1Å
89	A	81.9	Confident	87.2	Confident	24 Å²	24	33.3 Å²	33.3	20%	0.198	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	138	169	0	0	0	0	0	111.1	A91 Y134	A89-A91 PolarHBondContact O-N 3.35Å; A89-A91 VanDerWaalsContact O-N 3.11Å; A89-Y134 HydrophobicContact CB-CE2 3.9Å; A89-Y134 VanDerWaalsContact CB-OH 3.31Å; A89-Y134 WeakPolarHBondContact CB-OH 3Å
90	N	82.9	Confident	87.9	Confident	8 Å²	8	33.3 Å²	33.3	4%	0.043	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	25.7	-179.2	-51.6	122.7	0	0	0	116.6	A9 I10 V11 I50 C88	A9-N90 CarbonylContact O-C 3.59Å; A9-N90 WeakPolarHBondContact O-CA 3.15Å; A9-N90 WeakPolarHBondContact O-CB 3.27Å; A9-N90 PolarHBondContact O-ND2 2.89Å; I10-N90 VanDerWaalsContact CA-O 3.25Å; I10-N90 WeakPolarHBondContact CA-O 3.33Å; V11-N90 HydrophobicContact CB-CB 4.37Å; V11-N90 HydrophobicContact CG2-CB 3.91Å; V11-N90 PolarHBondContact N-O 2.87Å; I50-N90 PolarHBondContact N-OD1 3.3Å; I50-N90 PolarHBondContact O-ND2 3.43Å; I50-N90 PolarHBondContact O-OD1 2.93Å; C88-N90 PolarHBondContact O-N 3.19Å
91	A	85.1	Confident	88.8	Confident	16 Å²	16	33.4 Å²	33.4	13%	0.132	16%	0.155	C	C	.	.	S	Bend	trans	-108.8	178	170.1	0	0	0	0	0	112.3	C88 A89	C88-A91 WeakPolarHBondContact O-CB 3.34Å; C88-A91 PolarHBondContact O-N 3.37Å; C88-A91 WeakPolarHBondContact SG-CB 3.1Å; A89-A91 PolarHBondContact O-N 3.35Å; A89-A91 VanDerWaalsContact O-N 3.11Å
92	F	88.1	Confident	89.6	Confident	25 Å²	25	27.7 Å²	27.7	11%	0.11	14%	0.136	C	C	.	.			trans	-48.6	134.2	176.2	175.5	-96.1	0	0	0	112.8	L94 I114 A295	F92-L94 HydrophobicContact CE1-CB 3.95Å; F92-L94 HydrophobicContact CZ-CB 4.47Å; F92-L94 HydrophobicContact CZ-CD1 4.44Å; F92-I114 WeakPolarHBondContact CZ-O 3.43Å; F92-A295 VanDerWaalsContact CA-O 3.32Å; F92-A295 WeakPolarHBondContact CA-O 3.49Å
93	K	89.9	Confident	90	Very high	11 Å²	11	26 Å²	26	5%	0.048	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	126.6	174.1	-63.4	-171.1	-172.9	175.1	0	111.2	I8 E52 R86 A295 Y296 G297	I8-K93 HydrophobicContact CD1-CB 4.13Å; I8-K93 HydrophobicContact CD1-CD 3.73Å; I8-K93 HydrophobicContact CD1-CG 4.09Å; I8-K93 HydrophobicContact CG1-CD 3.86Å; E52-K93 IonicContact OE1-NZ 3.55Å; E52-K93 WeakPolarHBondContact OE2-CE 3.46Å; E52-K93 IonicContact OE2-NZ 3.65Å; E52-K93 PolarHBondContact OE2-NZ 2.91Å; R86-K93 HydrophobicContact CG-CG 4.1Å; K93-A295 PolarHBondContact N-O 3.14Å; K93-A295 VanDerWaalsContact N-O 3.13Å; K93-Y296 CarbonylContact O-C 3.6Å; K93-Y296 WeakPolarHBondContact O-CA 3.44Å; K93-Y296 WeakPolarHBondContact O-CB 3.44Å; K93-G297 PolarHBondContact O-N 2.92Å
94	L	93.3	Very high	90.3	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	124.5	169.3	-175.2	63.3	0	0	0	109.4	T84 H85 F92 L97 T118 A119 I122 V299	T84-L94 PolarHBondContact N-O 3.3Å; H85-L94 HydrophobicContact CB-CB 4.35Å; H85-L94 PolarHBondContact N-O 2.97Å; H85-L94 PolarHBondContact O-N 3.35Å; F92-L94 HydrophobicContact CE1-CB 3.95Å; F92-L94 HydrophobicContact CZ-CB 4.47Å; F92-L94 HydrophobicContact CZ-CD1 4.44Å; L94-L97 HydrophobicContact CD2-CD2 3.91Å; L94-T118 HydrophobicContact CD2-CG2 4.2Å; L94-A119 HydrophobicContact CD2-CB 4.14Å; L94-I122 HydrophobicContact CD2-CD1 3.98Å; L94-V299 HydrophobicContact CD1-CG2 4.24Å
95	H	91.8	Very high	90.6	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	133.7	174.6	-59.9	-87.5	0	0	0	109.9	L79 E82 T83 G297 V298 V299	L79-H95 HydrophobicContact CD2-CB 4.43Å; L79-H95 PolarHBondContact O-CE1 3.4Å; L79-H95 PolarHBondContact O-ND1 3.35Å; E82-H95 CarbonylContact O-C 3.6Å; E82-H95 VanDerWaalsContact O-CA 3.25Å; E82-H95 WeakPolarHBondContact O-CA 3.29Å; T83-H95 PolarHBondContact OG1-CE1 2.8Å; H95-G297 PolarHBondContact N-O 3Å; H95-V298 HydrophobicContact CB-CB 4.4Å; H95-V298 HydrophobicContact CB-CG1 4.29Å; H95-V298 HydrophobicContact CB-CG2 4.07Å; H95-V298 WeakPolarHBondContact O-CA 3.43Å; H95-V299 PolarHBondContact O-N 3.11Å; H95-V299 VanDerWaalsContact O-N 3.09Å
96	R	92.4	Very high	90.9	Very high	56 Å²	56	28.1 Å²	28.1	21%	0.211	14%	0.143	C	C	.	.	S	Bend	trans	59	178.9	-174.6	-53.8	172.6	-179.5	173	3	112.9	E82 T84 V299 E320	E82-R96 HydrophobicContact CB-CG 4.07Å; E82-R96 VanDerWaalsContact CD-NE 3.3Å; E82-R96 PolarHBondContact O-N 3.01Å; E82-R96 IonicContact OE1-CZ 2.86Å; E82-R96 IonicContact OE1-NE 2.84Å; E82-R96 IonicContact OE1-NH2 3.71Å; E82-R96 PolarHBondContact OE1-NH2 2.88Å; E82-R96 IonicContact OE2-CZ 2.65Å; E82-R96 IonicContact OE2-NE 2.73Å; E82-R96 PolarHBondContact OE2-NE 3.43Å; E82-R96 IonicContact OE2-NH2 3.92Å; E82-R96 PolarHBondContact OE2-NH2 2.87Å; T84-R96 WeakPolarHBondContact OG1-CA 3.45Å; T84-R96 PolarHBondContact OG1-N 3.03Å; T84-R96 VanDerWaalsContact OG1-N 3.14Å; T84-R96 PolarHBondContact OG1-O 3.04Å; R96-V299 HydrophobicContact CB-CB 4.26Å; R96-V299 WeakPolarHBondContact CD-O 3.49Å; R96-E320 IonicContact CZ-OE1 3.58Å; R96-E320 IonicContact NH1-OE1 3.43Å; R96-E320 PolarHBondContact NH1-OE1 2.82Å; R96-E320 IonicContact NH1-OE2 3.72Å
97	L	94.2	Very high	91.2	Very high	6 Å²	6	27.5 Å²	27.5	3%	0.031	14%	0.141	C	C	.	.			trans	-139.3	153.6	174.1	-77.8	173	0	0	0	109.9	T84 L94 A119 I122 F147 L152 F156	T84-L97 HydrophobicContact CG2-CD1 3.52Å; T84-L97 HydrophobicContact CG2-CD2 3.85Å; T84-L97 HydrophobicContact CG2-CG 3.46Å; T84-L97 VanDerWaalsContact CG2-CG 3.46Å; L94-L97 HydrophobicContact CD2-CD2 3.91Å; L97-A119 HydrophobicContact CD2-CB 4.05Å; L97-I122 HydrophobicContact CD1-CG2 3.73Å; L97-I122 HydrophobicContact CD2-CB 4.37Å; L97-I122 HydrophobicContact CD2-CD1 4.24Å; L97-I122 HydrophobicContact CD2-CG2 4.25Å; L97-F147 HydrophobicContact CD1-CZ 4.29Å; L97-L152 HydrophobicContact CB-CD1 3.83Å; L97-L152 HydrophobicContact CB-CD2 4.42Å; L97-F156 HydrophobicContact CD1-CE2 4.15Å; L97-F156 HydrophobicContact CD1-CZ 3.7Å
98	P	94.7	Very high	91.7	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.121	C	C	.	.			trans	-61.8	144.4	168.7	-12.1	24.8	0	0	0	110.2	P100 L106 L108 A119 L123 L152 V299	P98-P100 WeakPolarHBondContact O-CD 3.36Å; P98-L106 HydrophobicContact CB-CD2 3.69Å; P98-L108 HydrophobicContact CB-CD1 4.49Å; P98-L108 HydrophobicContact CB-CD2 3.63Å; P98-L108 HydrophobicContact CG-CD1 3.92Å; P98-L108 HydrophobicContact CG-CD2 3.75Å; P98-A119 HydrophobicContact CG-CB 4.17Å; P98-L123 HydrophobicContact CB-CD1 4.13Å; P98-L123 HydrophobicContact CG-CD1 4.01Å; P98-L152 WeakPolarHBondContact O-CD2 3.21Å; P98-V299 HydrophobicContact CB-CG1 4.24Å; P98-V299 HydrophobicContact CG-CG1 3.93Å
99	I	92.7	Very high	92.3	Very high	25 Å²	25	20.4 Å²	20.4	13%	0.128	11%	0.108	C	C	.	.			trans	-108	89.5	-175.5	-53.4	174.4	0	0	0	108.4	E151 L152 M301	I99-E151 HydrophobicContact CG2-CB 3.49Å; I99-E151 VanDerWaalsContact CG2-CB 3.49Å; I99-E151 HydrophobicContact CG2-CG 4.16Å; I99-L152 HydrophobicContact CG1-CD1 4.33Å; I99-L152 HydrophobicContact CG1-CG 4.23Å; I99-M301 HydrophobicContact CD1-CE 3.73Å; I99-M301 HydrophobicContact CD1-SD 3.91Å
100	P	93.7	Very high	92.7	Very high	7 Å²	7	19.3 Å²	19.3	5%	0.045	10%	0.098	C	C	.	.			trans	-71.3	142.4	179	32.3	-36.7	0	0	0	110.6	P98 L106 Y155 Y268 I270	P98-P100 WeakPolarHBondContact O-CD 3.36Å; P100-L106 HydrophobicContact CB-CD2 4.38Å; P100-Y155 HydrophobicContact CG-CD1 4.44Å; P100-Y155 HydrophobicContact CG-CD2 3.85Å; P100-Y155 HydrophobicContact CG-CE1 4.25Å; P100-Y155 HydrophobicContact CG-CE2 3.66Å; P100-Y155 HydrophobicContact CG-CG 4.23Å; P100-Y268 HydrophobicContact CB-CD1 3.96Å; P100-Y268 HydrophobicContact CG-CD1 4.3Å; P100-I270 HydrophobicContact CB-CD1 3.86Å; P100-I270 HydrophobicContact CB-CG1 4.03Å; P100-I270 HydrophobicContact CG-CD1 4.11Å
101	R	93.6	Very high	93	Very high	104 Å²	104	20 Å²	20	39%	0.392	10%	0.103	S	C	.	.			trans	-116.9	146.8	173.9	-72.6	-178.9	175.3	173.5	-1.7	110	E104	R101-E104 WeakPolarHBondContact CB-OE2 3.29Å; R101-E104 WeakPolarHBondContact CD-OE2 3.3Å
102	P	93.2	Very high	93.2	Very high	55 Å²	55	21.2 Å²	21.2	36%	0.357	11%	0.107	S	C	.	.	B	Isolated β-bridge	trans	-76.9	144.2	-178.9	37	-37.5	0	0	0	109.9	E104 P265 R267 Y268	P102-E104 VanDerWaalsContact C-N 3.3Å; P102-E104 PolarHBondContact O-N 2.68Å; P102-P265 VanDerWaalsContact CB-O 3.31Å; P102-P265 WeakPolarHBondContact CB-O 3.32Å; P102-R267 CarbonylContact C-O 3.53Å; P102-R267 WeakPolarHBondContact CA-O 3.46Å; P102-Y268 HydrophobicContact CB-CD1 4.25Å; P102-Y268 HydrophobicContact CB-CE1 3.84Å; P102-Y268 HydrophobicContact CB-CE2 4.38Å; P102-Y268 HydrophobicContact CG-CE1 4.19Å
103	G	93.7	Very high	93.1	Very high	23 Å²	23	22.1 Å²	22.1	24%	0.237	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.7	4.1	-177	0	0	0	0	0	115.7	I263 N264 R267	G103-I263 VanDerWaalsContact O-CG2 3.25Å; G103-I263 WeakPolarHBondContact O-CG2 3.17Å; G103-N264 WeakPolarHBondContact CA-O 3.19Å; G103-N264 PolarHBondContact N-O 3.25Å; G103-R267 PolarHBondContact N-O 3.43Å
104	E	94.9	Very high	93.1	Very high	62 Å²	62	21.6 Å²	21.6	29%	0.29	12%	0.121	S	C	.	.	S	Bend	trans	-132.8	153.6	-176.1	-61.4	178.7	159	0	0	111.2	R101 P102 F285	R101-E104 WeakPolarHBondContact CB-OE2 3.29Å; R101-E104 WeakPolarHBondContact CD-OE2 3.3Å; P102-E104 VanDerWaalsContact C-N 3.3Å; P102-E104 PolarHBondContact O-N 2.68Å; E104-F285 VanDerWaalsContact CD-CE2 3.47Å; E104-F285 WeakPolarHBondContact OE2-CD2 3.47Å; E104-F285 WeakPolarHBondContact OE2-CE2 3.4Å
105	V	96.7	Very high	92.9	Very high	1 Å²	1	22 Å²	22	1%	0.006	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	114.6	174.4	-176.6	0	0	0	0	110.5	I263 I269 V271 L282 D284 F285	V105-I263 HydrophobicContact CG2-CD1 3.76Å; V105-I263 HydrophobicContact CG2-CG1 3.83Å; V105-I269 HydrophobicContact CG1-CG2 4.09Å; V105-I269 HydrophobicContact CG2-CB 4.16Å; V105-I269 HydrophobicContact CG2-CD1 4.27Å; V105-I269 HydrophobicContact CG2-CG2 4.13Å; V105-V271 HydrophobicContact CG1-CG2 4Å; V105-L282 HydrophobicContact CG1-CG 4.22Å; V105-D284 PolarHBondContact N-OD2 3.47Å; V105-D284 PolarHBondContact O-N 2.94Å; V105-F285 PolarHBondContact O-N 3.41Å
106	L	97.5	Very high	93	Very high	6 Å²	6	22.5 Å²	22.5	3%	0.031	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	112.3	173.6	-176.9	65.5	0	0	0	110.8	P98 P100 L108 I269 I270 V271 F285 P302	P98-L106 HydrophobicContact CB-CD2 3.69Å; P100-L106 HydrophobicContact CB-CD2 4.38Å; L106-L108 HydrophobicContact CD2-CD2 4.21Å; L106-L108 HydrophobicContact CG-CD2 4.17Å; L106-I269 PolarHBondContact N-O 2.79Å; L106-I270 CarbonylContact O-C 3.56Å; L106-I270 WeakPolarHBondContact O-CA 3.45Å; L106-V271 PolarHBondContact O-N 3.1Å; L106-F285 HydrophobicContact CD1-CB 4.01Å; L106-P302 HydrophobicContact CD1-CB 4.25Å
107	G	97.2	Very high	92.8	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	137.3	172.8	0	0	0	0	0	112.7	V271 F285 I286 C287	G107-V271 CarbonylContact C-O 3.58Å; G107-V271 WeakPolarHBondContact CA-O 3.3Å; G107-F285 PolarHBondContact N-O 2.79Å; G107-I286 CarbonylContact O-C 3.59Å; G107-I286 VanDerWaalsContact O-CA 3.27Å; G107-I286 WeakPolarHBondContact O-CA 3.4Å; G107-C287 PolarHBondContact O-N 3.07Å
108	L	96.4	Very high	92.7	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	125.9	174.6	-54.1	-175	0	0	0	109.5	P98 L106 L120 I270 V271 V272 E273 C287 L289	P98-L108 HydrophobicContact CB-CD1 4.49Å; P98-L108 HydrophobicContact CB-CD2 3.63Å; P98-L108 HydrophobicContact CG-CD1 3.92Å; P98-L108 HydrophobicContact CG-CD2 3.75Å; L106-L108 HydrophobicContact CD2-CD2 4.21Å; L106-L108 HydrophobicContact CG-CD2 4.17Å; L108-L120 HydrophobicContact CD1-CD2 4.11Å; L108-I270 HydrophobicContact CD1-CG2 3.73Å; L108-I270 HydrophobicContact CG-CG2 3.94Å; L108-V271 PolarHBondContact N-O 3.47Å; L108-V272 HydrophobicContact CB-CG2 3.99Å; L108-V272 HydrophobicContact CD1-CG2 3.87Å; L108-V272 HydrophobicContact CG-CG2 4.36Å; L108-E273 PolarHBondContact O-N 2.93Å; L108-C287 HydrophobicContact CD2-CB 3.71Å; L108-L289 HydrophobicContact CB-CD1 4.04Å; L108-L289 HydrophobicContact CD2-CD1 4.35Å
109	V	93.7	Very high	92.7	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	138.9	175.8	67.4	0	0	0	0	110.2	L276 L279 I286 C287 C288 L289 F312	V109-L276 HydrophobicContact CG2-CD2 3.72Å; V109-L279 HydrophobicContact CB-CD2 3.86Å; V109-L279 HydrophobicContact CG2-CD2 4.32Å; V109-I286 HydrophobicContact CG1-CG2 3.77Å; V109-C287 PolarHBondContact N-O 3.39Å; V109-C287 VanDerWaalsContact N-O 3.1Å; V109-C288 HydrophobicContact CG1-CB 4.39Å; V109-C288 CarbonylContact O-C 3.55Å; V109-C288 WeakPolarHBondContact O-CA 3.32Å; V109-L289 PolarHBondContact O-N 3.12Å; V109-F312 HydrophobicContact CG1-CB 4.13Å; V109-F312 HydrophobicContact CG1-CD2 3.86Å; V109-F312 HydrophobicContact CG1-CG 3.92Å; V109-F312 HydrophobicContact CG2-CD1 3.95Å; V109-F312 HydrophobicContact CG2-CD2 4.01Å; V109-F312 HydrophobicContact CG2-CE1 3.94Å; V109-F312 HydrophobicContact CG2-CE2 4Å; V109-F312 HydrophobicContact CG2-CG 4Å; V109-F312 HydrophobicContact CG2-CZ 3.97Å
110	G	91.8	Very high	92.8	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171.9	162.8	179.9	0	0	0	0	0	111.3	K116 H274 L289	G110-K116 PolarHBondContact O-NZ 2.99Å; G110-H274 PolarHBondContact O-CE1 2.83Å; G110-L289 WeakPolarHBondContact CA-O 3.4Å
111	T	88.9	Confident	92.7	Very high	22 Å²	22	25.7 Å²	25.7	14%	0.135	15%	0.148	C	C	.	.			trans	-64.7	170.4	179.5	54.2	0	0	0	0	112	I114 K116 D493 E495	T111-I114 VanDerWaalsContact O-CG1 3.29Å; T111-I114 WeakPolarHBondContact O-CG1 3.36Å; T111-I114 WeakPolarHBondContact OG1-CG2 3.45Å; T111-K116 VanDerWaalsContact O-CE 3.26Å; T111-K116 WeakPolarHBondContact O-CE 3.32Å; T111-K116 PolarHBondContact O-NZ 3.26Å; T111-D493 WeakPolarHBondContact CA-OD2 3.48Å; T111-E495 HydrophobicContact CG2-CB 4.14Å
112	N	88.4	Confident	92.7	Very high	43 Å²	43	20.8 Å²	20.8	23%	0.23	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	144.1	175.2	-73.5	-20.9	0	0	0	111.7	K116 H274 Y491 D493	N112-K116 PolarHBondContact OD1-NZ 2.87Å; N112-H274 PolarHBondContact OD1-NE2 3.33Å; N112-Y491 PolarHBondContact ND2-O 2.88Å; N112-D493 PolarHBondContact N-OD2 3.11Å
113	G	86.1	Confident	92.7	Very high	44 Å²	44	18.1 Å²	18.1	45%	0.454	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.3	13.9	178.1	0	0	0	0	0	116.1	S294	G113-S294 PolarHBondContact O-N 3.2Å
114	I	89.9	Confident	92.6	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	11%	0.106	C	C	.	.	S	Bend	trans	-97	6.4	176.1	64.6	56.6	0	0	0	113.9	F92 T111 K116 L289 P293 G297	F92-I114 WeakPolarHBondContact CZ-O 3.43Å; T111-I114 VanDerWaalsContact O-CG1 3.29Å; T111-I114 WeakPolarHBondContact O-CG1 3.36Å; T111-I114 WeakPolarHBondContact OG1-CG2 3.45Å; I114-K116 HydrophobicContact CD1-CD 4.28Å; I114-K116 HydrophobicContact CD1-CG 3.6Å; I114-L289 HydrophobicContact CD1-CB 3.25Å; I114-L289 HydrophobicContact CD1-CD2 3.38Å; I114-L289 HydrophobicContact CD1-CG 3.93Å; I114-L289 HydrophobicContact CG1-CB 3.99Å; I114-P293 HydrophobicContact CG2-CG 4.44Å; I114-G297 WeakPolarHBondContact O-CA 3.35Å
115	G	90.6	Very high	92.4	Very high	9 Å²	9	16.4 Å²	16.4	9%	0.093	11%	0.11	C	C	.	.	S	Bend	trans	99	14.8	174.9	0	0	0	0	0	118.1	S117 T118 A119	G115-S117 PolarHBondContact O-N 2.8Å; G115-T118 WeakPolarHBondContact O-CB 3.27Å; G115-T118 PolarHBondContact O-N 2.59Å; G115-A119 PolarHBondContact O-N 2.92Å
116	K	92.1	Very high	92	Very high	9 Å²	9	23.1 Å²	23.1	4%	0.039	14%	0.139	C	C	.	.	H	α-helix	trans	-51.9	-56.7	174.1	-68.8	168.8	-60	-176.9	0	112.3	G110 T111 N112 I114 T118 A119 L120 V272 H274 L289	G110-K116 PolarHBondContact O-NZ 2.99Å; T111-K116 VanDerWaalsContact O-CE 3.26Å; T111-K116 WeakPolarHBondContact O-CE 3.32Å; T111-K116 PolarHBondContact O-NZ 3.26Å; N112-K116 PolarHBondContact OD1-NZ 2.87Å; I114-K116 HydrophobicContact CD1-CD 4.28Å; I114-K116 HydrophobicContact CD1-CG 3.6Å; K116-T118 PolarHBondContact O-N 3.34Å; K116-A119 WeakPolarHBondContact O-CB 3.38Å; K116-A119 PolarHBondContact O-N 3.35Å; K116-A119 VanDerWaalsContact O-N 3.11Å; K116-L120 PolarHBondContact O-N 3Å; K116-V272 HydrophobicContact CB-CG1 4.44Å; K116-V272 HydrophobicContact CB-CG2 4.3Å; K116-V272 HydrophobicContact CD-CG1 3.78Å; K116-V272 HydrophobicContact CG-CG1 4.49Å; K116-H274 PolarHBondContact NZ-CE1 2.7Å; K116-H274 PolarHBondContact NZ-NE2 3.36Å; K116-L289 HydrophobicContact CG-CD1 4.46Å; K116-L289 HydrophobicContact CG-CD2 3.9Å
117	S	89.9	Confident	91.6	Very high	42 Å²	42	24.5 Å²	24.5	29%	0.294	15%	0.145	S	C	.	.	H	α-helix	trans	-67.4	-26.3	-178.9	-44.2	0	0	0	0	112.4	G115 K121 D241	G115-S117 PolarHBondContact O-N 2.8Å; S117-K121 VanDerWaalsContact O-CG 3.31Å; S117-K121 WeakPolarHBondContact O-CG 3.47Å; S117-K121 PolarHBondContact O-N 3.23Å; S117-D241 PolarHBondContact OG-OD2 3.02Å
118	T	91.7	Very high	91.3	Very high	17 Å²	17	27.5 Å²	27.5	10%	0.104	16%	0.159	C	C	.	.	H	α-helix	trans	-68.9	-44.4	171.6	-56.9	0	0	0	0	110.6	Y87 L94 G115 K116 L120 K121 I122	Y87-T118 HydrophobicContact CE2-CG2 4.04Å; Y87-T118 WeakPolarHBondContact OH-CG2 3.43Å; Y87-T118 PolarHBondContact OH-OG1 3.4Å; L94-T118 HydrophobicContact CD2-CG2 4.2Å; G115-T118 WeakPolarHBondContact O-CB 3.27Å; G115-T118 PolarHBondContact O-N 2.59Å; K116-T118 PolarHBondContact O-N 3.34Å; T118-L120 VanDerWaalsContact C-N 3.35Å; T118-L120 PolarHBondContact O-N 3.37Å; T118-K121 PolarHBondContact O-N 3.07Å; T118-I122 HydrophobicContact CG2-CD1 4.11Å; T118-I122 WeakPolarHBondContact O-CG1 3.41Å; T118-I122 PolarHBondContact O-N 2.82Å
119	A	94.4	Very high	91.1	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-59.9	-43.9	173.9	0	0	0	0	0	111.5	L94 L97 P98 G115 K116 K121 I122 L123	L94-A119 HydrophobicContact CD2-CB 4.14Å; L97-A119 HydrophobicContact CD2-CB 4.05Å; P98-A119 HydrophobicContact CG-CB 4.17Å; G115-A119 PolarHBondContact O-N 2.92Å; K116-A119 WeakPolarHBondContact O-CB 3.38Å; K116-A119 PolarHBondContact O-N 3.35Å; K116-A119 VanDerWaalsContact O-N 3.11Å; A119-K121 PolarHBondContact O-N 2.87Å; A119-I122 PolarHBondContact O-N 3.24Å; A119-L123 WeakPolarHBondContact O-CB 3.4Å; A119-L123 WeakPolarHBondContact O-CG 3.37Å; A119-L123 PolarHBondContact O-N 3.13Å
120	L	94	Very high	91	Very high	3 Å²	3	28.1 Å²	28.1	2%	0.016	16%	0.162	C	C	.	.	H	α-helix	trans	-60.8	-43	175.3	-67.5	-174.7	0	0	0	112.6	L108 K116 T118 I122 L123 A124 M239 D241 I270 V272	L108-L120 HydrophobicContact CD1-CD2 4.11Å; K116-L120 PolarHBondContact O-N 3Å; T118-L120 VanDerWaalsContact C-N 3.35Å; T118-L120 PolarHBondContact O-N 3.37Å; L120-I122 VanDerWaalsContact C-N 3.29Å; L120-I122 PolarHBondContact O-N 3.25Å; L120-L123 PolarHBondContact O-N 2.85Å; L120-A124 WeakPolarHBondContact O-CB 3.35Å; L120-A124 PolarHBondContact O-N 3.14Å; L120-M239 HydrophobicContact CB-SD 4.07Å; L120-M239 HydrophobicContact CD2-CB 4.38Å; L120-M239 HydrophobicContact CD2-CG 4.4Å; L120-M239 HydrophobicContact CD2-SD 3.84Å; L120-M239 VanDerWaalsContact O-SD 3.39Å; L120-D241 HydrophobicContact CD1-CB 3.98Å; L120-I270 HydrophobicContact CD2-CB 4.36Å; L120-I270 HydrophobicContact CD2-CG2 3.74Å; L120-V272 HydrophobicContact CD1-CG2 3.71Å; L120-V272 HydrophobicContact CD2-CG2 4.28Å; L120-V272 HydrophobicContact CG-CG2 4.14Å
121	K	92.7	Very high	91	Very high	100 Å²	100	29.6 Å²	29.6	44%	0.435	17%	0.17	S	C	.	.	H	α-helix	trans	-62.4	-37.2	177	-75.2	174	-176.3	-178.2	0	112.5	S117 T118 A119 K126 Q127	S117-K121 VanDerWaalsContact O-CG 3.31Å; S117-K121 WeakPolarHBondContact O-CG 3.47Å; S117-K121 PolarHBondContact O-N 3.23Å; T118-K121 PolarHBondContact O-N 3.07Å; A119-K121 PolarHBondContact O-N 2.87Å; K121-K126 PolarHBondContact O-N 3.01Å; K121-Q127 HydrophobicContact CB-CB 4.04Å; K121-Q127 PolarHBondContact O-N 3.25Å; K121-Q127 VanDerWaalsContact O-N 3.14Å
122	I	93.4	Very high	90.8	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-69.3	-49.8	177.6	-66.6	164.3	0	0	0	110.6	T84 H85 L94 L97 T118 A119 L120 A124 G125 Q127 P129 F156	T84-I122 HydrophobicContact CG2-CD1 4.21Å; H85-I122 HydrophobicContact CB-CD1 3.65Å; L94-I122 HydrophobicContact CD2-CD1 3.98Å; L97-I122 HydrophobicContact CD1-CG2 3.73Å; L97-I122 HydrophobicContact CD2-CB 4.37Å; L97-I122 HydrophobicContact CD2-CD1 4.24Å; L97-I122 HydrophobicContact CD2-CG2 4.25Å; T118-I122 HydrophobicContact CG2-CD1 4.11Å; T118-I122 WeakPolarHBondContact O-CG1 3.41Å; T118-I122 PolarHBondContact O-N 2.82Å; A119-I122 PolarHBondContact O-N 3.24Å; L120-I122 VanDerWaalsContact C-N 3.29Å; L120-I122 PolarHBondContact O-N 3.25Å; I122-A124 PolarHBondContact O-N 2.9Å; I122-G125 PolarHBondContact O-N 2.63Å; I122-Q127 WeakPolarHBondContact CA-O 3.34Å; I122-Q127 HydrophobicContact CG1-CB 4.3Å; I122-Q127 HydrophobicContact CG1-CG 4.39Å; I122-P129 HydrophobicContact CG2-CB 4.16Å; I122-P129 HydrophobicContact CG2-CG 4.26Å; I122-F156 HydrophobicContact CG2-CE1 4.3Å; I122-F156 HydrophobicContact CG2-CZ 4.07Å
123	L	93.3	Very high	90.8	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-64.1	-28.7	179.2	-68	176.5	0	0	0	112	P98 A119 L120 G125 L152 Y155 I159 M239 I270	P98-L123 HydrophobicContact CB-CD1 4.13Å; P98-L123 HydrophobicContact CG-CD1 4.01Å; A119-L123 WeakPolarHBondContact O-CB 3.4Å; A119-L123 WeakPolarHBondContact O-CG 3.37Å; A119-L123 PolarHBondContact O-N 3.13Å; L120-L123 PolarHBondContact O-N 2.85Å; L123-G125 PolarHBondContact O-N 3.45Å; L123-L152 HydrophobicContact CD2-CD2 4.16Å; L123-Y155 HydrophobicContact CB-CE1 4.2Å; L123-Y155 HydrophobicContact CD2-CD1 4.14Å; L123-Y155 HydrophobicContact CD2-CE1 3.69Å; L123-Y155 WeakPolarHBondContact O-CE1 3.4Å; L123-Y155 PolarHBondContact O-OH 3.2Å; L123-I159 VanDerWaalsContact O-CD1 3.3Å; L123-I159 WeakPolarHBondContact O-CD1 3.44Å; L123-M239 VanDerWaalsContact C-CE 3.42Å; L123-M239 HydrophobicContact CB-CE 3.59Å; L123-I270 HydrophobicContact CB-CD1 4.31Å; L123-I270 HydrophobicContact CD1-CD1 3.55Å
124	A	91.8	Very high	90.7	Very high	11 Å²	11	33.7 Å²	33.7	9%	0.091	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82	4.6	176.4	0	0	0	0	0	114.2	L120 I122 K126 A166 I168 M239	L120-A124 WeakPolarHBondContact O-CB 3.35Å; L120-A124 PolarHBondContact O-N 3.14Å; I122-A124 PolarHBondContact O-N 2.9Å; A124-K126 HydrophobicContact CB-CG 4.32Å; A124-K126 PolarHBondContact O-N 3.31Å; A124-A166 HydrophobicContact CB-CB 3.97Å; A124-I168 HydrophobicContact CB-CD1 3.42Å; A124-I168 VanDerWaalsContact CB-CD1 3.42Å; A124-I168 HydrophobicContact CB-CG1 3.95Å; A124-M239 HydrophobicContact CB-CE 3.78Å; A124-M239 HydrophobicContact CB-SD 3.87Å; A124-M239 VanDerWaalsContact N-CE 3.34Å
125	G	88.9	Confident	90.5	Very high	37 Å²	37	40.3 Å²	40.3	38%	0.381	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.9	0	-177	0	0	0	0	0	115.1	I122 L123 Q127	I122-G125 PolarHBondContact O-N 2.63Å; L123-G125 PolarHBondContact O-N 3.45Å; G125-Q127 PolarHBondContact O-N 3.42Å
126	K	88.8	Confident	90.4	Very high	143 Å²	143	45.9 Å²	45.9	62%	0.622	24%	0.238	S	C	*	.	S	Bend	trans	-72.5	-17.7	178.6	-65.4	-173.2	-179.6	178.8	0	113.1	K121 A124 I168	K121-K126 PolarHBondContact O-N 3.01Å; A124-K126 HydrophobicContact CB-CG 4.32Å; A124-K126 PolarHBondContact O-N 3.31Å; K126-I168 HydrophobicContact CD-CD1 3.9Å
127	Q	90	Very high	90.2	Very high	34 Å²	34	48.7 Å²	48.7	16%	0.159	26%	0.258	C	S	.	.	S	Bend	trans	-142.1	120.1	-179.8	-174.4	167.9	2.4	0	0	110.4	H85 Y87 K121 I122 G125	H85-Q127 PolarHBondContact CE1-NE2 3.38Å; H85-Q127 PolarHBondContact NE2-NE2 3.2Å; Y87-Q127 PolarHBondContact OH-OE1 3.29Å; Y87-Q127 VanDerWaalsContact OH-OE1 3.09Å; K121-Q127 HydrophobicContact CB-CB 4.04Å; K121-Q127 PolarHBondContact O-N 3.25Å; K121-Q127 VanDerWaalsContact O-N 3.14Å; I122-Q127 WeakPolarHBondContact CA-O 3.34Å; I122-Q127 HydrophobicContact CG1-CB 4.3Å; I122-Q127 HydrophobicContact CG1-CG 4.39Å; G125-Q127 PolarHBondContact O-N 3.42Å
128	K	91	Very high	90.2	Very high	64 Å²	64	47 Å²	47	28%	0.278	25%	0.245	S	C	.	.			trans	-69.9	131.2	175.7	-167.4	-175.5	-168	-169.8	0	110.1	P138 D139 W140 I143	K128-P138 WeakPolarHBondContact CE-O 3.48Å; K128-P138 PolarHBondContact NZ-O 3.18Å; K128-D139 IonicContact NZ-OD1 3Å; K128-D139 PolarHBondContact NZ-OD1 3.48Å; K128-W140 HydrophobicContact CB-CZ2 4.4Å; K128-W140 HydrophobicContact CG-CD2 4.4Å; K128-W140 HydrophobicContact CG-CZ2 4.02Å; K128-I143 HydrophobicContact CD-CD1 3.95Å; K128-I143 HydrophobicContact CG-CD1 3.46Å; K128-I143 VanDerWaalsContact CG-CD1 3.46Å
129	P	92.3	Very high	90.2	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.268	C	S	.	.			trans	-66.2	137.6	171.7	29.1	-32.3	0	0	0	108.6	T84 I122 I143	T84-P129 HydrophobicContact CG2-CB 3.89Å; I122-P129 HydrophobicContact CG2-CB 4.16Å; I122-P129 HydrophobicContact CG2-CG 4.26Å; P129-I143 HydrophobicContact CG-CD1 4.02Å; P129-I143 HydrophobicContact CG-CG1 4.32Å; P129-I143 HydrophobicContact CG-CG2 3.66Å; P129-I143 VanDerWaalsContact O-CD1 3.24Å; P129-I143 WeakPolarHBondContact O-CD1 3.32Å
130	N	92.1	Very high	89.9	Confident	13 Å²	13	54.4 Å²	54.4	7%	0.07	28%	0.28	C	S	.	.			trans	-110	5.7	-175.9	68.2	1.4	0	0	0	113.2	T84 H85 R86 G132 K133 P137 P138	T84-N130 PolarHBondContact O-N 3.24Å; H85-N130 WeakPolarHBondContact CA-OD1 3.32Å; H85-N130 PolarHBondContact ND1-OD1 3.4Å; R86-N130 PolarHBondContact N-OD1 3.03Å; R86-N130 PolarHBondContact O-ND2 2.84Å; N130-G132 PolarHBondContact O-N 3.07Å; N130-G132 PolarHBondContact OD1-N 3.46Å; N130-K133 WeakPolarHBondContact CB-O 3.46Å; N130-K133 WeakPolarHBondContact O-CA 3.45Å; N130-K133 WeakPolarHBondContact O-CB 3.5Å; N130-K133 PolarHBondContact O-N 3.11Å; N130-P137 HydrophobicContact CB-CB 4.08Å; N130-P138 VanDerWaalsContact O-CD 3.3Å; N130-P138 WeakPolarHBondContact O-CD 3.32Å
131	L	89.9	Confident	89.7	Confident	31 Å²	31	62 Å²	62	16%	0.162	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.2	28	177.2	-50.6	-178.5	0	0	0	113.6	T83 T84 K133 P138 I143 Y146 F147	T83-L131 CarbonylContact O-C 3.55Å; T83-L131 VanDerWaalsContact O-CA 3.29Å; T83-L131 WeakPolarHBondContact O-CA 3.46Å; T84-L131 WeakPolarHBondContact O-CA 3.47Å; T84-L131 PolarHBondContact O-N 2.9Å; L131-K133 VanDerWaalsContact C-N 3.3Å; L131-K133 PolarHBondContact O-N 2.85Å; L131-P138 HydrophobicContact CB-CG 4.35Å; L131-P138 HydrophobicContact CD1-CG 4.07Å; L131-P138 HydrophobicContact CG-CG 4.04Å; L131-I143 HydrophobicContact CD1-CG1 4.48Å; L131-Y146 HydrophobicContact CD1-CD1 4.24Å; L131-Y146 HydrophobicContact CD1-CD2 3.91Å; L131-Y146 HydrophobicContact CD1-CG 3.66Å; L131-Y146 HydrophobicContact CD2-CD1 3.54Å; L131-Y146 HydrophobicContact CD2-CD2 4.31Å; L131-Y146 HydrophobicContact CD2-CE1 3.75Å; L131-Y146 HydrophobicContact CD2-CE2 4.49Å; L131-Y146 HydrophobicContact CD2-CG 3.84Å; L131-Y146 HydrophobicContact CG-CG 4.38Å; L131-F147 HydrophobicContact CD2-CE2 4.33Å
132	G	85.9	Confident	89.6	Confident	20 Å²	20	61.9 Å²	61.9	21%	0.206	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.8	-9.4	-175.1	0	0	0	0	0	115.6	N130 Y134	N130-G132 PolarHBondContact O-N 3.07Å; N130-G132 PolarHBondContact OD1-N 3.46Å; G132-Y134 VanDerWaalsContact O-CD1 3.31Å; G132-Y134 WeakPolarHBondContact O-CD1 3.46Å; G132-Y134 PolarHBondContact O-N 3.27Å
133	K	87.4	Confident	89.4	Confident	103 Å²	103	61.9 Å²	61.9	45%	0.448	32%	0.316	S	S	.	.			trans	-84.9	86.5	173.6	-54.4	178.9	-175.2	174.5	0	110.1	N130 L131 D136 P137 E142	N130-K133 WeakPolarHBondContact CB-O 3.46Å; N130-K133 WeakPolarHBondContact O-CA 3.45Å; N130-K133 WeakPolarHBondContact O-CB 3.5Å; N130-K133 PolarHBondContact O-N 3.11Å; L131-K133 VanDerWaalsContact C-N 3.3Å; L131-K133 PolarHBondContact O-N 2.85Å; K133-D136 VanDerWaalsContact CB-O 3.27Å; K133-D136 WeakPolarHBondContact CB-O 3.26Å; K133-P137 WeakPolarHBondContact O-CA 3.2Å; K133-E142 IonicContact NZ-OE2 2.93Å; K133-E142 PolarHBondContact NZ-OE2 3.04Å
134	Y	84.6	Confident	89.3	Confident	71 Å²	71	63.4 Å²	63.4	28%	0.278	32%	0.324	S	S	.	.	S	Bend	trans	-82.8	-26.6	-177.7	49.8	-89.8	0	0	0	114.2	R86 A89 G132	R86-Y134 HydrophobicContact CB-CD1 4.5Å; R86-Y134 HydrophobicContact CG-CD1 4.24Å; A89-Y134 HydrophobicContact CB-CE2 3.9Å; A89-Y134 VanDerWaalsContact CB-OH 3.31Å; A89-Y134 WeakPolarHBondContact CB-OH 3Å; G132-Y134 VanDerWaalsContact O-CD1 3.31Å; G132-Y134 WeakPolarHBondContact O-CD1 3.46Å; G132-Y134 PolarHBondContact O-N 3.27Å
135	D	85.8	Confident	89.2	Confident	139 Å²	139	66.6 Å²	66.6	74%	0.743	34%	0.342	S	S	*	.	S	Bend	trans	-81	-33.1	178.4	-62.3	-40.8	0	0	0	112.4
136	D	88.8	Confident	89.2	Confident	127 Å²	127	69.2 Å²	69.2	68%	0.679	34%	0.341	S	S	*	.	S	Bend	trans	-133.9	80.2	179.4	-174.2	32	0	0	0	109.4	K133	K133-D136 VanDerWaalsContact CB-O 3.27Å; K133-D136 WeakPolarHBondContact CB-O 3.26Å
137	P	88.3	Confident	89.2	Confident	68 Å²	68	63.3 Å²	63.3	44%	0.442	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-68.8	129.5	-173.5	26.4	-32.7	0	0	0	110.9	N130 K133	N130-P137 HydrophobicContact CB-CB 4.08Å; K133-P137 WeakPolarHBondContact O-CA 3.2Å
138	P	89.4	Confident	89.1	Confident	5 Å²	5	70.3 Å²	70.3	3%	0.032	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-62.9	157.6	-175.9	28.2	-37.4	0	0	0	112.3	K128 N130 L131 E142 I143	K128-P138 WeakPolarHBondContact CE-O 3.48Å; K128-P138 PolarHBondContact NZ-O 3.18Å; N130-P138 VanDerWaalsContact O-CD 3.3Å; N130-P138 WeakPolarHBondContact O-CD 3.32Å; L131-P138 HydrophobicContact CB-CG 4.35Å; L131-P138 HydrophobicContact CD1-CG 4.07Å; L131-P138 HydrophobicContact CG-CG 4.04Å; P138-E142 HydrophobicContact CB-CB 3.82Å; P138-E142 HydrophobicContact CB-CG 4.48Å; P138-E142 VanDerWaalsContact CB-OE2 3.26Å; P138-E142 WeakPolarHBondContact CB-OE2 3.16Å; P138-I143 HydrophobicContact CB-CG1 4.45Å; P138-I143 HydrophobicContact CG-CD1 4.48Å; P138-I143 HydrophobicContact CG-CG1 4.06Å
139	D	90.5	Very high	88.9	Confident	108 Å²	108	70.9 Å²	70.9	58%	0.578	37%	0.365	S	S	*	.	P	Polyproline II helix	trans	-78	162	172.5	-84.8	-30.2	0	0	0	115	K128 Q141 E142 I143	K128-D139 IonicContact NZ-OD1 3Å; K128-D139 PolarHBondContact NZ-OD1 3.48Å; D139-Q141 PolarHBondContact O-N 2.91Å; D139-E142 WeakPolarHBondContact O-CA 3Å; D139-E142 WeakPolarHBondContact O-CB 3.48Å; D139-E142 PolarHBondContact O-N 3.3Å; D139-I143 WeakPolarHBondContact O-CG1 3.25Å; D139-I143 PolarHBondContact O-N 2.89Å
140	W	89.6	Confident	88.6	Confident	66 Å²	66	72.7 Å²	72.7	25%	0.25	38%	0.377	C	S	.	.	H	α-helix	trans	-58	-32.5	-179.2	-80.8	117.5	0	0	0	112.3	K128 E142 I143 L144 F156 L160	K128-W140 HydrophobicContact CB-CZ2 4.4Å; K128-W140 HydrophobicContact CG-CD2 4.4Å; K128-W140 HydrophobicContact CG-CZ2 4.02Å; W140-E142 PolarHBondContact O-N 3.45Å; W140-I143 HydrophobicContact CD2-CD1 4.2Å; W140-I143 HydrophobicContact CE3-CB 4.15Å; W140-I143 HydrophobicContact CE3-CD1 3.93Å; W140-I143 HydrophobicContact CE3-CG2 3.95Å; W140-I143 HydrophobicContact CZ3-CD1 4.42Å; W140-I143 HydrophobicContact CZ3-CG2 4.04Å; W140-I143 PolarHBondContact O-N 3.42Å; W140-L144 WeakPolarHBondContact O-CB 3.25Å; W140-L144 VanDerWaalsContact O-CG 3.25Å; W140-L144 WeakPolarHBondContact O-CG 3.32Å; W140-L144 PolarHBondContact O-N 3Å; W140-F156 HydrophobicContact CH2-CD1 4.18Å; W140-F156 HydrophobicContact CZ3-CB 4.32Å; W140-F156 AromaticContact CZ3-CD1 3.9Å; W140-F156 HydrophobicContact CZ3-CD1 3.9Å; W140-F156 HydrophobicContact CZ3-CE1 4.43Å; W140-F156 HydrophobicContact CZ3-CG 4.12Å; W140-L160 HydrophobicContact CB-CD1 3.88Å; W140-L160 HydrophobicContact CD2-CD1 3.65Å; W140-L160 HydrophobicContact CD2-CD2 3.88Å; W140-L160 HydrophobicContact CD2-CG 4.3Å; W140-L160 HydrophobicContact CE3-CD1 3.68Å; W140-L160 HydrophobicContact CE3-CD2 4.47Å; W140-L160 HydrophobicContact CE3-CG 4.47Å; W140-L160 HydrophobicContact CG-CD1 3.77Å; W140-L160 HydrophobicContact CG-CD2 4.05Å; W140-L160 HydrophobicContact CZ2-CD2 4.11Å; W140-L160 HydrophobicContact CZ3-CD1 4.34Å
141	Q	89.9	Confident	88.4	Confident	163 Å²	163	76.8 Å²	76.8	76%	0.762	40%	0.396	S	S	*	.	H	α-helix	trans	-61.2	-43.1	172.8	-67.8	-180	-8.3	0	0	112.4	D139 T145	D139-Q141 PolarHBondContact O-N 2.91Å; Q141-T145 WeakPolarHBondContact O-CB 3.47Å; Q141-T145 PolarHBondContact O-N 3.41Å; Q141-T145 PolarHBondContact O-OG1 3.19Å
142	E	89.7	Confident	88.5	Confident	97 Å²	97	75.8 Å²	75.8	45%	0.453	39%	0.391	S	S	.	.	H	α-helix	trans	-67	-40.5	174.8	-72.7	-173	-153.3	0	0	111.5	K133 P138 D139 W140 T145 Y146	K133-E142 IonicContact NZ-OE2 2.93Å; K133-E142 PolarHBondContact NZ-OE2 3.04Å; P138-E142 HydrophobicContact CB-CB 3.82Å; P138-E142 HydrophobicContact CB-CG 4.48Å; P138-E142 VanDerWaalsContact CB-OE2 3.26Å; P138-E142 WeakPolarHBondContact CB-OE2 3.16Å; D139-E142 WeakPolarHBondContact O-CA 3Å; D139-E142 WeakPolarHBondContact O-CB 3.48Å; D139-E142 PolarHBondContact O-N 3.3Å; W140-E142 PolarHBondContact O-N 3.45Å; E142-T145 WeakPolarHBondContact O-CB 3.32Å; E142-T145 PolarHBondContact O-N 3.02Å; E142-Y146 WeakPolarHBondContact O-CB 3.42Å; E142-Y146 PolarHBondContact O-N 3Å
143	I	90.1	Very high	88.7	Confident	0 Å²	0	77.1 Å²	77.1	0%	0	39%	0.392	C	S	.	.	H	α-helix	trans	-63.2	-46.9	178.3	-66.2	162.8	0	0	0	110.9	K128 P129 L131 P138 D139 W140 T145 Y146 F147	K128-I143 HydrophobicContact CD-CD1 3.95Å; K128-I143 HydrophobicContact CG-CD1 3.46Å; K128-I143 VanDerWaalsContact CG-CD1 3.46Å; P129-I143 HydrophobicContact CG-CD1 4.02Å; P129-I143 HydrophobicContact CG-CG1 4.32Å; P129-I143 HydrophobicContact CG-CG2 3.66Å; P129-I143 VanDerWaalsContact O-CD1 3.24Å; P129-I143 WeakPolarHBondContact O-CD1 3.32Å; L131-I143 HydrophobicContact CD1-CG1 4.48Å; P138-I143 HydrophobicContact CB-CG1 4.45Å; P138-I143 HydrophobicContact CG-CD1 4.48Å; P138-I143 HydrophobicContact CG-CG1 4.06Å; D139-I143 WeakPolarHBondContact O-CG1 3.25Å; D139-I143 PolarHBondContact O-N 2.89Å; W140-I143 HydrophobicContact CD2-CD1 4.2Å; W140-I143 HydrophobicContact CE3-CB 4.15Å; W140-I143 HydrophobicContact CE3-CD1 3.93Å; W140-I143 HydrophobicContact CE3-CG2 3.95Å; W140-I143 HydrophobicContact CZ3-CD1 4.42Å; W140-I143 HydrophobicContact CZ3-CG2 4.04Å; W140-I143 PolarHBondContact O-N 3.42Å; I143-T145 VanDerWaalsContact C-N 3.28Å; I143-T145 PolarHBondContact O-N 3.14Å; I143-Y146 WeakPolarHBondContact O-CB 3.46Å; I143-Y146 PolarHBondContact O-N 2.97Å; I143-F147 HydrophobicContact CG2-CD2 3.94Å; I143-F147 HydrophobicContact CG2-CE2 3.98Å; I143-F147 VanDerWaalsContact O-CD2 3.27Å; I143-F147 WeakPolarHBondContact O-CD2 3.49Å; I143-F147 PolarHBondContact O-N 2.9Å; I143-F147 VanDerWaalsContact O-N 3.07Å
144	L	89.9	Confident	88.8	Confident	31 Å²	31	76.3 Å²	76.3	16%	0.162	39%	0.392	C	S	.	.	H	α-helix	trans	-64.3	-35.4	176.6	-69.2	174.2	0	0	0	111.6	W140 F147 R148 Q153 F156 L160	W140-L144 WeakPolarHBondContact O-CB 3.25Å; W140-L144 VanDerWaalsContact O-CG 3.25Å; W140-L144 WeakPolarHBondContact O-CG 3.32Å; W140-L144 PolarHBondContact O-N 3Å; L144-F147 PolarHBondContact O-N 2.86Å; L144-R148 PolarHBondContact O-N 2.78Å; L144-R148 VanDerWaalsContact O-N 3.17Å; L144-Q153 HydrophobicContact CD2-CG 4.36Å; L144-F156 HydrophobicContact CD2-CB 3.69Å; L144-L160 HydrophobicContact CD1-CD1 4.26Å
145	T	90.6	Very high	89.1	Confident	79 Å²	79	73.1 Å²	73.1	49%	0.485	38%	0.38	S	S	.	.	H	α-helix	trans	-66.3	-38.8	174.1	-58.2	0	0	0	0	111.5	Q141 E142 I143 R148	Q141-T145 WeakPolarHBondContact O-CB 3.47Å; Q141-T145 PolarHBondContact O-N 3.41Å; Q141-T145 PolarHBondContact O-OG1 3.19Å; E142-T145 WeakPolarHBondContact O-CB 3.32Å; E142-T145 PolarHBondContact O-N 3.02Å; I143-T145 VanDerWaalsContact C-N 3.28Å; I143-T145 PolarHBondContact O-N 3.14Å; T145-R148 WeakPolarHBondContact O-CB 3.4Å; T145-R148 PolarHBondContact O-N 3.13Å
146	Y	88.7	Confident	89.4	Confident	91 Å²	91	66.5 Å²	66.5	36%	0.357	34%	0.344	S	S	.	.	H	α-helix	trans	-63.7	-40.9	176.2	176.8	-91.8	0	0	0	112.3	K81 E82 L131 E142 I143 R148	K81-Y146 WeakPolarHBondContact O-CE2 3.34Å; K81-Y146 PolarHBondContact O-OH 3.3Å; E82-Y146 WeakPolarHBondContact CA-OH 3.36Å; L131-Y146 HydrophobicContact CD1-CD1 4.24Å; L131-Y146 HydrophobicContact CD1-CD2 3.91Å; L131-Y146 HydrophobicContact CD1-CG 3.66Å; L131-Y146 HydrophobicContact CD2-CD1 3.54Å; L131-Y146 HydrophobicContact CD2-CD2 4.31Å; L131-Y146 HydrophobicContact CD2-CE1 3.75Å; L131-Y146 HydrophobicContact CD2-CE2 4.49Å; L131-Y146 HydrophobicContact CD2-CG 3.84Å; L131-Y146 HydrophobicContact CG-CG 4.38Å; E142-Y146 WeakPolarHBondContact O-CB 3.42Å; E142-Y146 PolarHBondContact O-N 3Å; I143-Y146 WeakPolarHBondContact O-CB 3.46Å; I143-Y146 PolarHBondContact O-N 2.97Å; Y146-R148 VanDerWaalsContact C-N 3.26Å; Y146-R148 PolarHBondContact O-N 3.1Å
147	F	88.6	Confident	89.5	Confident	19 Å²	19	61.9 Å²	61.9	8%	0.083	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	10.3	176.9	-69.9	-66.8	0	0	0	113.8	T84 L97 L131 I143 L144 G149 S150 L152 Q153 F156	T84-F147 HydrophobicContact CG2-CZ 4.46Å; L97-F147 HydrophobicContact CD1-CZ 4.29Å; L131-F147 HydrophobicContact CD2-CE2 4.33Å; I143-F147 HydrophobicContact CG2-CD2 3.94Å; I143-F147 HydrophobicContact CG2-CE2 3.98Å; I143-F147 VanDerWaalsContact O-CD2 3.27Å; I143-F147 WeakPolarHBondContact O-CD2 3.49Å; I143-F147 PolarHBondContact O-N 2.9Å; I143-F147 VanDerWaalsContact O-N 3.07Å; L144-F147 PolarHBondContact O-N 2.86Å; F147-G149 PolarHBondContact O-N 3.37Å; F147-S150 VanDerWaalsContact O-CB 3.32Å; F147-S150 WeakPolarHBondContact O-CB 3.31Å; F147-S150 PolarHBondContact O-N 3.4Å; F147-S150 PolarHBondContact O-OG 3.27Å; F147-L152 HydrophobicContact CB-CB 4.45Å; F147-L152 HydrophobicContact CD1-CB 4.05Å; F147-L152 HydrophobicContact CD1-CD1 3.98Å; F147-L152 HydrophobicContact CE1-CD1 3.84Å; F147-L152 HydrophobicContact CG-CB 4.25Å; F147-Q153 HydrophobicContact CB-CB 4.32Å; F147-Q153 WeakPolarHBondContact O-CB 3.48Å; F147-F156 AromaticContact CD2-CD2 4Å; F147-F156 HydrophobicContact CD2-CD2 4Å; F147-F156 AromaticContact CD2-CE2 3.83Å; F147-F156 HydrophobicContact CD2-CE2 3.83Å; F147-F156 HydrophobicContact CE2-CD2 4.35Å; F147-F156 AromaticContact CE2-CE2 3.74Å; F147-F156 HydrophobicContact CE2-CE2 3.74Å; F147-F156 HydrophobicContact CG-CE2 4.49Å; F147-F156 HydrophobicContact CZ-CE2 4.33Å
148	R	88	Confident	89.5	Confident	182 Å²	182	62.8 Å²	62.8	69%	0.687	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	129.5	-172.8	-179	-178.8	-81.2	-177.7	-4.4	112.3	L144 T145 Y146 S150 Q153	L144-R148 PolarHBondContact O-N 2.78Å; L144-R148 VanDerWaalsContact O-N 3.17Å; T145-R148 WeakPolarHBondContact O-CB 3.4Å; T145-R148 PolarHBondContact O-N 3.13Å; Y146-R148 VanDerWaalsContact C-N 3.26Å; Y146-R148 PolarHBondContact O-N 3.1Å; R148-S150 VanDerWaalsContact C-N 3.29Å; R148-Q153 VanDerWaalsContact CA-OE1 3.29Å
149	G	86.3	Confident	89.4	Confident	76 Å²	76	63.5 Å²	63.5	78%	0.784	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.5	4.2	179.7	0	0	0	0	0	114.6	F147	F147-G149 PolarHBondContact O-N 3.37Å
150	S	87.6	Confident	89.2	Confident	38 Å²	38	61.7 Å²	61.7	27%	0.266	31%	0.311	S	S	.	.	S	Bend	trans	-101.4	157.7	173.4	75.5	0	0	0	0	111.8	F147 R148 L152 Q153	F147-S150 VanDerWaalsContact O-CB 3.32Å; F147-S150 WeakPolarHBondContact O-CB 3.31Å; F147-S150 PolarHBondContact O-N 3.4Å; F147-S150 PolarHBondContact O-OG 3.27Å; R148-S150 VanDerWaalsContact C-N 3.29Å; S150-L152 PolarHBondContact O-N 2.88Å; S150-L152 PolarHBondContact OG-N 3.15Å; S150-Q153 VanDerWaalsContact O-CB 3.29Å; S150-Q153 WeakPolarHBondContact O-CB 3.29Å; S150-Q153 PolarHBondContact O-N 3.29Å; S150-Q153 PolarHBondContact OG-N 3.14Å
151	E	87.7	Confident	89.1	Confident	99 Å²	99	65.7 Å²	65.7	46%	0.463	33%	0.333	S	S	.	.	H	α-helix	trans	-58.5	-27.4	172.1	-66.3	-69.6	-177	0	0	112.7	I99 Q153 N154 Y155	I99-E151 HydrophobicContact CG2-CB 3.49Å; I99-E151 VanDerWaalsContact CG2-CB 3.49Å; I99-E151 HydrophobicContact CG2-CG 4.16Å; E151-Q153 VanDerWaalsContact C-N 3.29Å; E151-Q153 PolarHBondContact O-N 2.85Å; E151-N154 PolarHBondContact O-N 3.16Å; E151-Y155 PolarHBondContact O-N 3.01Å
152	L	90.7	Very high	88.8	Confident	9 Å²	9	62.7 Å²	62.7	5%	0.047	32%	0.322	C	S	.	.	H	α-helix	trans	-67.4	-29.9	175.9	-73	172.4	0	0	0	112.6	L97 P98 I99 L123 F147 S150 Y155 F156	L97-L152 HydrophobicContact CB-CD1 3.83Å; L97-L152 HydrophobicContact CB-CD2 4.42Å; P98-L152 WeakPolarHBondContact O-CD2 3.21Å; I99-L152 HydrophobicContact CG1-CD1 4.33Å; I99-L152 HydrophobicContact CG1-CG 4.23Å; L123-L152 HydrophobicContact CD2-CD2 4.16Å; F147-L152 HydrophobicContact CB-CB 4.45Å; F147-L152 HydrophobicContact CD1-CB 4.05Å; F147-L152 HydrophobicContact CD1-CD1 3.98Å; F147-L152 HydrophobicContact CE1-CD1 3.84Å; F147-L152 HydrophobicContact CG-CB 4.25Å; S150-L152 PolarHBondContact O-N 2.88Å; S150-L152 PolarHBondContact OG-N 3.15Å; L152-Y155 PolarHBondContact O-N 3.07Å; L152-F156 HydrophobicContact CB-CD2 4.39Å; L152-F156 HydrophobicContact CB-CE2 4.26Å; L152-F156 WeakPolarHBondContact O-CB 3.14Å; L152-F156 WeakPolarHBondContact O-CD2 3.34Å; L152-F156 WeakPolarHBondContact O-CG 3.33Å; L152-F156 PolarHBondContact O-N 3.24Å
153	Q	90.1	Very high	88.5	Confident	48 Å²	48	64.8 Å²	64.8	22%	0.224	34%	0.336	C	S	.	.	H	α-helix	trans	-60.3	-52.1	172.4	-175.8	-173.3	4.5	0	0	109.6	L144 F147 R148 S150 E151 Y155 F156 T157	L144-Q153 HydrophobicContact CD2-CG 4.36Å; F147-Q153 HydrophobicContact CB-CB 4.32Å; F147-Q153 WeakPolarHBondContact O-CB 3.48Å; R148-Q153 VanDerWaalsContact CA-OE1 3.29Å; S150-Q153 VanDerWaalsContact O-CB 3.29Å; S150-Q153 WeakPolarHBondContact O-CB 3.29Å; S150-Q153 PolarHBondContact O-N 3.29Å; S150-Q153 PolarHBondContact OG-N 3.14Å; E151-Q153 VanDerWaalsContact C-N 3.29Å; E151-Q153 PolarHBondContact O-N 2.85Å; Q153-Y155 VanDerWaalsContact C-N 3.28Å; Q153-Y155 PolarHBondContact O-N 2.7Å; Q153-F156 PolarHBondContact O-N 3.5Å; Q153-T157 WeakPolarHBondContact O-CB 3.43Å; Q153-T157 PolarHBondContact O-N 3.49Å; Q153-T157 PolarHBondContact O-OG1 2.83Å
154	N	89.5	Confident	88.3	Confident	86 Å²	86	66.1 Å²	66.1	46%	0.46	34%	0.343	S	S	.	.	H	α-helix	trans	-58.3	-43.2	178.7	-62.6	-25	0	0	0	111.1	E151 T157 K158	E151-N154 PolarHBondContact O-N 3.16Å; N154-T157 PolarHBondContact O-N 3.23Å; N154-K158 VanDerWaalsContact O-CG 3.32Å; N154-K158 WeakPolarHBondContact O-CG 3.48Å; N154-K158 PolarHBondContact O-N 3.26Å
155	Y	91.8	Very high	88.5	Confident	4 Å²	4	68.5 Å²	68.5	2%	0.016	35%	0.352	C	S	.	.	H	α-helix	trans	-61.2	-49.3	177.9	-177.2	-103.5	0	0	0	112.8	P100 L123 E151 L152 Q153 K158 I159 I237 Y268	P100-Y155 HydrophobicContact CG-CD1 4.44Å; P100-Y155 HydrophobicContact CG-CD2 3.85Å; P100-Y155 HydrophobicContact CG-CE1 4.25Å; P100-Y155 HydrophobicContact CG-CE2 3.66Å; P100-Y155 HydrophobicContact CG-CG 4.23Å; L123-Y155 HydrophobicContact CB-CE1 4.2Å; L123-Y155 HydrophobicContact CD2-CD1 4.14Å; L123-Y155 HydrophobicContact CD2-CE1 3.69Å; L123-Y155 WeakPolarHBondContact O-CE1 3.4Å; L123-Y155 PolarHBondContact O-OH 3.2Å; E151-Y155 PolarHBondContact O-N 3.01Å; L152-Y155 PolarHBondContact O-N 3.07Å; Q153-Y155 VanDerWaalsContact C-N 3.28Å; Q153-Y155 PolarHBondContact O-N 2.7Å; Y155-K158 PolarHBondContact O-N 2.93Å; Y155-I159 HydrophobicContact CD1-CD1 3.74Å; Y155-I159 HydrophobicContact CE1-CD1 3.24Å; Y155-I159 HydrophobicContact CE1-CG1 4.35Å; Y155-I159 HydrophobicContact CE2-CD1 4.36Å; Y155-I159 HydrophobicContact CG-CD1 4.5Å; Y155-I159 WeakPolarHBondContact O-CG1 3.12Å; Y155-I159 PolarHBondContact O-N 3.33Å; Y155-I237 HydrophobicContact CE2-CD1 4.05Å; Y155-I237 HydrophobicContact CE2-CG1 4.2Å; Y155-I237 VanDerWaalsContact OH-CD1 3.29Å; Y155-I237 WeakPolarHBondContact OH-CD1 3.29Å; Y155-I237 WeakPolarHBondContact OH-CG2 3.43Å; Y155-Y268 HydrophobicContact CD2-CD1 4.01Å; Y155-Y268 HydrophobicContact CD2-CD2 4.46Å; Y155-Y268 AromaticContact CD2-CE1 3.76Å; Y155-Y268 HydrophobicContact CD2-CE1 3.76Å; Y155-Y268 HydrophobicContact CD2-CE2 4.25Å; Y155-Y268 HydrophobicContact CD2-CG 4.34Å; Y155-Y268 AromaticContact CD2-CZ 3.9Å; Y155-Y268 AromaticContact CE2-CD1 3.87Å; Y155-Y268 HydrophobicContact CE2-CD1 3.87Å; Y155-Y268 AromaticContact CE2-CD2 3.99Å; Y155-Y268 HydrophobicContact CE2-CD2 3.99Å; Y155-Y268 HydrophobicContact CE2-CE1 4.08Å; Y155-Y268 HydrophobicContact CE2-CE2 4.21Å; Y155-Y268 AromaticContact CE2-CG 3.81Å; Y155-Y268 HydrophobicContact CE2-CG 3.81Å
156	F	92	Very high	88.6	Confident	1 Å²	1	65.9 Å²	65.9	0%	0.004	34%	0.339	C	S	.	.	H	α-helix	trans	-68.6	-37.1	178.5	-72	-51.4	0	0	0	112.6	L97 I122 W140 L144 F147 L152 Q153 K158 I159 L160	L97-F156 HydrophobicContact CD1-CE2 4.15Å; L97-F156 HydrophobicContact CD1-CZ 3.7Å; I122-F156 HydrophobicContact CG2-CE1 4.3Å; I122-F156 HydrophobicContact CG2-CZ 4.07Å; W140-F156 HydrophobicContact CH2-CD1 4.18Å; W140-F156 HydrophobicContact CZ3-CB 4.32Å; W140-F156 AromaticContact CZ3-CD1 3.9Å; W140-F156 HydrophobicContact CZ3-CD1 3.9Å; W140-F156 HydrophobicContact CZ3-CE1 4.43Å; W140-F156 HydrophobicContact CZ3-CG 4.12Å; L144-F156 HydrophobicContact CD2-CB 3.69Å; F147-F156 AromaticContact CD2-CD2 4Å; F147-F156 HydrophobicContact CD2-CD2 4Å; F147-F156 AromaticContact CD2-CE2 3.83Å; F147-F156 HydrophobicContact CD2-CE2 3.83Å; F147-F156 HydrophobicContact CE2-CD2 4.35Å; F147-F156 AromaticContact CE2-CE2 3.74Å; F147-F156 HydrophobicContact CE2-CE2 3.74Å; F147-F156 HydrophobicContact CG-CE2 4.49Å; F147-F156 HydrophobicContact CZ-CE2 4.33Å; L152-F156 HydrophobicContact CB-CD2 4.39Å; L152-F156 HydrophobicContact CB-CE2 4.26Å; L152-F156 WeakPolarHBondContact O-CB 3.14Å; L152-F156 WeakPolarHBondContact O-CD2 3.34Å; L152-F156 WeakPolarHBondContact O-CG 3.33Å; L152-F156 PolarHBondContact O-N 3.24Å; Q153-F156 PolarHBondContact O-N 3.5Å; F156-K158 VanDerWaalsContact C-N 3.33Å; F156-K158 PolarHBondContact O-N 3.33Å; F156-I159 HydrophobicContact CD1-CD1 4.42Å; F156-I159 PolarHBondContact O-N 3.36Å; F156-L160 VanDerWaalsContact O-CG 3.3Å; F156-L160 WeakPolarHBondContact O-CG 3.38Å; F156-L160 PolarHBondContact O-N 2.75Å
157	T	89.7	Confident	88.9	Confident	30 Å²	30	62.3 Å²	62.3	18%	0.184	33%	0.326	C	S	.	.	H	α-helix	trans	-57.8	-48	172.8	-64.7	0	0	0	0	110.2	Q153 N154 I159 L160 E161	Q153-T157 WeakPolarHBondContact O-CB 3.43Å; Q153-T157 PolarHBondContact O-N 3.49Å; Q153-T157 PolarHBondContact O-OG1 2.83Å; N154-T157 PolarHBondContact O-N 3.23Å; T157-I159 PolarHBondContact O-N 3.38Å; T157-L160 PolarHBondContact O-N 2.89Å; T157-L160 VanDerWaalsContact O-N 3.16Å; T157-E161 HydrophobicContact CG2-CG 4.07Å; T157-E161 WeakPolarHBondContact CG2-OE1 3.49Å; T157-E161 VanDerWaalsContact CG2-OE2 3.28Å; T157-E161 WeakPolarHBondContact CG2-OE2 3.33Å; T157-E161 WeakPolarHBondContact O-CB 3.46Å; T157-E161 WeakPolarHBondContact O-CG 3.42Å; T157-E161 PolarHBondContact O-N 2.86Å
158	K	88.3	Confident	89.1	Confident	86 Å²	86	63.1 Å²	63.1	37%	0.374	33%	0.33	S	S	.	.	H	α-helix	trans	-61.7	-42.8	176.1	-69.8	-177.7	175	-174.2	0	112.8	N154 Y155 F156 L160 D162 L164	N154-K158 VanDerWaalsContact O-CG 3.32Å; N154-K158 WeakPolarHBondContact O-CG 3.48Å; N154-K158 PolarHBondContact O-N 3.26Å; Y155-K158 PolarHBondContact O-N 2.93Å; F156-K158 VanDerWaalsContact C-N 3.33Å; F156-K158 PolarHBondContact O-N 3.33Å; K158-L160 PolarHBondContact O-N 3.18Å; K158-D162 WeakPolarHBondContact CG-OD2 3.41Å; K158-D162 WeakPolarHBondContact O-CA 3.49Å; K158-D162 VanDerWaalsContact O-CB 3.24Å; K158-D162 WeakPolarHBondContact O-CB 3.24Å; K158-D162 PolarHBondContact O-N 3.23Å; K158-L164 HydrophobicContact CB-CD1 3.7Å; K158-L164 HydrophobicContact CB-CG 4.25Å
159	I	88.3	Confident	89.3	Confident	21 Å²	21	54.4 Å²	54.4	11%	0.108	30%	0.298	C	S	.	.	H	α-helix	trans	-57.5	-38.7	176.2	-72.9	173.9	0	0	0	111.6	L123 Y155 F156 T157 L164 I237	L123-I159 VanDerWaalsContact O-CD1 3.3Å; L123-I159 WeakPolarHBondContact O-CD1 3.44Å; Y155-I159 HydrophobicContact CD1-CD1 3.74Å; Y155-I159 HydrophobicContact CE1-CD1 3.24Å; Y155-I159 HydrophobicContact CE1-CG1 4.35Å; Y155-I159 HydrophobicContact CE2-CD1 4.36Å; Y155-I159 HydrophobicContact CG-CD1 4.5Å; Y155-I159 WeakPolarHBondContact O-CG1 3.12Å; Y155-I159 PolarHBondContact O-N 3.33Å; F156-I159 HydrophobicContact CD1-CD1 4.42Å; F156-I159 PolarHBondContact O-N 3.36Å; T157-I159 PolarHBondContact O-N 3.38Å; I159-L164 HydrophobicContact CG1-CB 4.34Å; I159-L164 HydrophobicContact CG1-CD1 4.23Å; I159-I237 HydrophobicContact CD1-CD1 3.92Å; I159-I237 HydrophobicContact CG1-CD1 3.84Å
160	L	86.5	Confident	89.2	Confident	70 Å²	70	54 Å²	54	37%	0.366	28%	0.281	S	S	.	.	H	α-helix	trans	-84.2	-40.3	-176.3	-66.6	170	0	0	0	113.5	W140 L144 F156 T157 K158	W140-L160 HydrophobicContact CB-CD1 3.88Å; W140-L160 HydrophobicContact CD2-CD1 3.65Å; W140-L160 HydrophobicContact CD2-CD2 3.88Å; W140-L160 HydrophobicContact CD2-CG 4.3Å; W140-L160 HydrophobicContact CE3-CD1 3.68Å; W140-L160 HydrophobicContact CE3-CD2 4.47Å; W140-L160 HydrophobicContact CE3-CG 4.47Å; W140-L160 HydrophobicContact CG-CD1 3.77Å; W140-L160 HydrophobicContact CG-CD2 4.05Å; W140-L160 HydrophobicContact CZ2-CD2 4.11Å; W140-L160 HydrophobicContact CZ3-CD1 4.34Å; L144-L160 HydrophobicContact CD1-CD1 4.26Å; F156-L160 VanDerWaalsContact O-CG 3.3Å; F156-L160 WeakPolarHBondContact O-CG 3.38Å; F156-L160 PolarHBondContact O-N 2.75Å; T157-L160 PolarHBondContact O-N 2.89Å; T157-L160 VanDerWaalsContact O-N 3.16Å; K158-L160 PolarHBondContact O-N 3.18Å
161	E	87.7	Confident	88.9	Confident	150 Å²	150	54.3 Å²	54.3	70%	0.701	28%	0.278	S	S	*	.	H	α-helix	trans	-89.4	-40.7	-174.2	-66.1	-178.1	179	0	0	112.2	T157	T157-E161 HydrophobicContact CG2-CG 4.07Å; T157-E161 WeakPolarHBondContact CG2-OE1 3.49Å; T157-E161 VanDerWaalsContact CG2-OE2 3.28Å; T157-E161 WeakPolarHBondContact CG2-OE2 3.33Å; T157-E161 WeakPolarHBondContact O-CB 3.46Å; T157-E161 WeakPolarHBondContact O-CG 3.42Å; T157-E161 PolarHBondContact O-N 2.86Å
162	D	82.5	Confident	88.5	Confident	100 Å²	100	54.6 Å²	54.6	54%	0.535	28%	0.276	S	S	.	.	S	Bend	trans	-92	-0.9	-178.4	-56	-32.1	0	0	0	112.8	K158 L164	K158-D162 WeakPolarHBondContact CG-OD2 3.41Å; K158-D162 WeakPolarHBondContact O-CA 3.49Å; K158-D162 VanDerWaalsContact O-CB 3.24Å; K158-D162 WeakPolarHBondContact O-CB 3.24Å; K158-D162 PolarHBondContact O-N 3.23Å; D162-L164 VanDerWaalsContact C-N 3.28Å; D162-L164 HydrophobicContact CB-CD2 3.89Å; D162-L164 HydrophobicContact CB-CG 4.25Å; D162-L164 PolarHBondContact O-N 3.17Å
163	D	83.3	Confident	88	Confident	141 Å²	141	54.2 Å²	54.2	75%	0.754	27%	0.274	S	S	*	.			trans	48.5	47	-176.3	-164.1	25.9	0	0	0	112.7	K165	D163-K165 PolarHBondContact O-N 3.37Å
164	L	87.7	Confident	87.4	Confident	28 Å²	28	55.5 Å²	55.5	15%	0.147	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-57.1	127.4	-176.1	-64.7	-173.9	0	0	0	111.5	K158 I159 D162 A166 D236 I237 Y268	K158-L164 HydrophobicContact CB-CD1 3.7Å; K158-L164 HydrophobicContact CB-CG 4.25Å; I159-L164 HydrophobicContact CG1-CB 4.34Å; I159-L164 HydrophobicContact CG1-CD1 4.23Å; D162-L164 VanDerWaalsContact C-N 3.28Å; D162-L164 HydrophobicContact CB-CD2 3.89Å; D162-L164 HydrophobicContact CB-CG 4.25Å; D162-L164 PolarHBondContact O-N 3.17Å; L164-A166 PolarHBondContact O-N 3.49Å; L164-D236 HydrophobicContact CB-CB 4.09Å; L164-D236 HydrophobicContact CD2-CB 3.8Å; L164-D236 HydrophobicContact CG-CB 4.35Å; L164-I237 HydrophobicContact CB-CD1 4Å; L164-I237 HydrophobicContact CD1-CD1 4.13Å; L164-Y268 HydrophobicContact CD1-CE2 4.21Å
165	K	92.3	Very high	87	Confident	80 Å²	80	57.3 Å²	57.3	35%	0.348	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-81.1	118	179.2	-177.5	172.9	169.4	-164.1	0	110.1	D163 E193 K234 A235 D236 I237	D163-K165 PolarHBondContact O-N 3.37Å; K165-E193 IonicContact NZ-OE1 3.47Å; K165-E193 PolarHBondContact NZ-OE1 2.79Å; K165-E193 IonicContact NZ-OE2 3.88Å; K165-E193 PolarHBondContact NZ-OE2 3.32Å; K165-K234 VanDerWaalsContact CD-O 3.27Å; K165-K234 WeakPolarHBondContact CD-O 3.46Å; K165-K234 WeakPolarHBondContact CE-O 3.33Å; K165-K234 PolarHBondContact NZ-O 3.28Å; K165-A235 HydrophobicContact CG-CB 4.3Å; K165-A235 WeakPolarHBondContact O-CB 3.31Å; K165-D236 PolarHBondContact N-OD2 3.14Å; K165-D236 PolarHBondContact O-N 2.93Å; K165-I237 PolarHBondContact O-N 3.04Å; K165-I237 VanDerWaalsContact O-N 3.17Å
166	A	93.4	Very high	86.7	Confident	25 Å²	25	58.1 Å²	58.1	21%	0.207	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	126.5	175.6	0	0	0	0	0	112.7	A124 L164 I237	A124-A166 HydrophobicContact CB-CB 3.97Å; L164-A166 PolarHBondContact O-N 3.49Å; A166-I237 WeakPolarHBondContact CA-O 3.33Å; A166-I237 HydrophobicContact CB-CB 3.98Å; A166-I237 HydrophobicContact CB-CD1 4.21Å; A166-I237 HydrophobicContact CB-CG2 4.31Å
167	I	94.2	Very high	86.2	Confident	16 Å²	16	59.6 Å²	59.6	8%	0.082	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	132.9	176.6	-59.6	179.4	0	0	0	109.7	V230 Q233 A235 I237 M239	I167-V230 HydrophobicContact CG2-CB 4.19Å; I167-V230 HydrophobicContact CG2-CG1 3.8Å; I167-V230 HydrophobicContact CG2-CG2 3.81Å; I167-Q233 HydrophobicContact CD1-CB 3.28Å; I167-Q233 HydrophobicContact CD1-CG 4.14Å; I167-A235 HydrophobicContact CB-CB 4.28Å; I167-A235 HydrophobicContact CD1-CB 3.48Å; I167-A235 VanDerWaalsContact CD1-CB 3.48Å; I167-A235 HydrophobicContact CG1-CB 3.63Å; I167-I237 PolarHBondContact N-O 2.97Å; I167-M239 PolarHBondContact O-N 2.89Å
168	I	93.1	Very high	85.9	Confident	35 Å²	35	66.6 Å²	66.6	18%	0.179	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	125.5	-178.1	-47.2	177.8	0	0	0	109.4	A124 K126 M239	A124-I168 HydrophobicContact CB-CD1 3.42Å; A124-I168 VanDerWaalsContact CB-CD1 3.42Å; A124-I168 HydrophobicContact CB-CG1 3.95Å; K126-I168 HydrophobicContact CD-CD1 3.9Å; I168-M239 WeakPolarHBondContact CA-O 3.4Å; I168-M239 HydrophobicContact CB-CB 4.4Å; I168-M239 HydrophobicContact CD1-SD 4.46Å; I168-M239 HydrophobicContact CG1-CB 4.18Å; I168-M239 HydrophobicContact CG1-SD 4.25Å; I168-M239 HydrophobicContact CG2-CB 4.16Å
169	K	93	Very high	85.6	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	120.2	163.3	179.8	-95.9	173.7	-165.6	0	108.3	Q171 A226 V230 M239 F240 D241 E242	K169-Q171 PolarHBondContact NZ-O 3.31Å; K169-A226 HydrophobicContact CG-CB 4.1Å; K169-V230 HydrophobicContact CB-CG2 3.91Å; K169-M239 PolarHBondContact N-O 3.31Å; K169-F240 HydrophobicContact CB-CD1 3.97Å; K169-D241 WeakPolarHBondContact CD-O 3.35Å; K169-D241 PolarHBondContact NZ-O 3.44Å; K169-E242 PolarHBondContact NZ-O 2.74Å
170	P	83	Confident	85.2	Confident	67 Å²	67	67 Å²	67	44%	0.435	35%	0.352	S	S	.	.			trans	-66.9	143.2	179.6	27.5	-34.1	0	0	0	111.5	I176	P170-I176 HydrophobicContact CG-CD1 4.33Å; P170-I176 HydrophobicContact CG-CG1 4.32Å
171	Q	82	Confident	85	Confident	44 Å²	44	72.2 Å²	72.2	21%	0.206	37%	0.372	C	S	.	.	S	Bend	trans	-57.7	-54.1	176.8	-167.9	-172	15.2	0	0	111.4	K169 V173 D241 E242	K169-Q171 PolarHBondContact NZ-O 3.31Å; Q171-V173 PolarHBondContact O-N 3.31Å; Q171-D241 HydrophobicContact CB-CB 4.16Å; Q171-E242 PolarHBondContact NE2-OE1 3.15Å
172	Y	80.1	Confident	85.1	Confident	106 Å²	106	66.4 Å²	66.4	42%	0.416	35%	0.353	S	S	.	.			trans	-85.1	97.4	-176.3	-59.7	-77.4	0	0	0	112.6	D174 Q175	Y172-D174 VanDerWaalsContact C-N 3.25Å; Y172-D174 PolarHBondContact O-N 3.37Å; Y172-Q175 PolarHBondContact O-N 3.29Å
173	V	80.1	Confident	85.5	Confident	1 Å²	1	63.6 Å²	63.6	1%	0.006	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-69.4	-22.3	176.7	-65.5	0	0	0	0	113.9	Q171 Q175 I176 P177 L222 Q223 A226 Y246	Q171-V173 PolarHBondContact O-N 3.31Å; V173-Q175 PolarHBondContact O-N 3.06Å; V173-Q175 VanDerWaalsContact O-N 3.1Å; V173-I176 HydrophobicContact CB-CD1 3.93Å; V173-I176 HydrophobicContact CG1-CD1 3.84Å; V173-I176 VanDerWaalsContact O-CB 3.29Å; V173-I176 WeakPolarHBondContact O-CB 3.42Å; V173-I176 WeakPolarHBondContact O-CG1 3.45Å; V173-I176 PolarHBondContact O-N 3.23Å; V173-P177 WeakPolarHBondContact O-CD 3.4Å; V173-L222 HydrophobicContact CB-CB 4.12Å; V173-L222 HydrophobicContact CG2-CB 4.31Å; V173-Q223 HydrophobicContact CG1-CB 4.49Å; V173-A226 HydrophobicContact CG1-CB 4.22Å; V173-Y246 HydrophobicContact CG2-CD2 4.08Å; V173-Y246 HydrophobicContact CG2-CE2 3.8Å
174	D	78.1	Confident	85.8	Confident	75 Å²	75	56.9 Å²	56.9	40%	0.401	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-64.6	-15.5	177.2	-55	-45.7	0	0	0	112.9	Y172 Y246	Y172-D174 VanDerWaalsContact C-N 3.25Å; Y172-D174 PolarHBondContact O-N 3.37Å; D174-Y246 PolarHBondContact OD2-OH 3.44Å
175	Q	81	Confident	85.9	Confident	123 Å²	123	55.9 Å²	55.9	58%	0.575	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-88.6	-15.4	174.9	-60.9	-173.9	4.5	0	0	113	Y172 V173 K178 A179	Y172-Q175 PolarHBondContact O-N 3.29Å; V173-Q175 PolarHBondContact O-N 3.06Å; V173-Q175 VanDerWaalsContact O-N 3.1Å; Q175-K178 WeakPolarHBondContact O-CB 3.39Å; Q175-K178 PolarHBondContact O-N 2.97Å; Q175-K178 VanDerWaalsContact O-N 3.13Å; Q175-A179 PolarHBondContact O-N 3.17Å
176	I	84.1	Confident	85.8	Confident	22 Å²	22	54.7 Å²	54.7	11%	0.113	30%	0.301	C	S	.	.	H	α-helix	trans	-60.8	-45.9	-178	-63	173.8	0	0	0	111.7	P170 V173 K178 A179 A180 V214 F225 A226	P170-I176 HydrophobicContact CG-CD1 4.33Å; P170-I176 HydrophobicContact CG-CG1 4.32Å; V173-I176 HydrophobicContact CB-CD1 3.93Å; V173-I176 HydrophobicContact CG1-CD1 3.84Å; V173-I176 VanDerWaalsContact O-CB 3.29Å; V173-I176 WeakPolarHBondContact O-CB 3.42Å; V173-I176 WeakPolarHBondContact O-CG1 3.45Å; V173-I176 PolarHBondContact O-N 3.23Å; I176-K178 PolarHBondContact O-N 2.76Å; I176-K178 VanDerWaalsContact O-N 3.14Å; I176-A179 PolarHBondContact O-N 3.24Å; I176-A180 PolarHBondContact O-N 3.44Å; I176-V214 HydrophobicContact CG2-CG1 4.03Å; I176-F225 HydrophobicContact CG2-CD1 4.43Å; I176-F225 HydrophobicContact CG2-CE1 4.11Å; I176-A226 HydrophobicContact CD1-CB 3.55Å
177	P	82.4	Confident	85.7	Confident	32 Å²	32	53.9 Å²	53.9	21%	0.208	29%	0.293	C	S	.	.	H	α-helix	trans	-59.8	-26.3	177.1	-25.4	35.3	0	0	0	114	V173 V214 E215 L222	V173-P177 WeakPolarHBondContact O-CD 3.4Å; P177-V214 HydrophobicContact CG-CG1 4.32Å; P177-E215 HydrophobicContact CB-CB 4.34Å; P177-L222 HydrophobicContact CG-CD1 4.05Å; P177-L222 HydrophobicContact CG-CD2 4Å
178	K	82.9	Confident	85.6	Confident	176 Å²	176	53.1 Å²	53.1	77%	0.765	29%	0.289	S	S	*	.	H	α-helix	trans	-76	-30.5	176.8	-60.7	-177.2	-179.6	179.3	0	112.3	Q175 I176	Q175-K178 WeakPolarHBondContact O-CB 3.39Å; Q175-K178 PolarHBondContact O-N 2.97Å; Q175-K178 VanDerWaalsContact O-N 3.13Å; I176-K178 PolarHBondContact O-N 2.76Å; I176-K178 VanDerWaalsContact O-N 3.14Å
179	A	81.5	Confident	85.6	Confident	93 Å²	93	56 Å²	56	77%	0.769	31%	0.305	S	S	*	.	H	α-helix	trans	-94	-29.6	-176.3	0	0	0	0	0	113.3	Q175 I176	Q175-A179 PolarHBondContact O-N 3.17Å; I176-A179 PolarHBondContact O-N 3.24Å
180	A	80.6	Confident	85.5	Confident	22 Å²	22	64.3 Å²	64.3	18%	0.182	34%	0.337	C	S	.	.			trans	-126.6	115.7	-177.4	0	0	0	0	0	110.7	I176 I187	I176-A180 PolarHBondContact O-N 3.44Å; A180-I187 HydrophobicContact CB-CD1 4.18Å
181	K	83.3	Confident	85.8	Confident	180 Å²	180	65 Å²	65	78%	0.783	33%	0.333	S	S	*	.			trans	-105.5	141	173.8	-63.4	-172.9	177.9	-172.9	0	110.1
182	G	88.3	Confident	86.3	Confident	29 Å²	29	65 Å²	65	30%	0.299	33%	0.334	S	S	.	.	S	Bend	trans	130.7	-178.4	179.1	0	0	0	0	0	113	V214	G182-V214 PolarHBondContact O-N 3.15Å; G182-V214 VanDerWaalsContact O-N 3.15Å
183	T	91.6	Very high	86.9	Confident	40 Å²	40	64.4 Å²	64.4	25%	0.245	34%	0.335	C	S	.	.	B	Isolated β-bridge	trans	-76.5	151.5	175.9	61.7	0	0	0	0	111	G185 S186 I187 R212	T183-G185 VanDerWaalsContact C-N 3.28Å; T183-G185 PolarHBondContact O-N 2.87Å; T183-S186 PolarHBondContact N-OG 3.44Å; T183-S186 PolarHBondContact O-N 2.79Å; T183-S186 PolarHBondContact O-OG 3.17Å; T183-S186 WeakPolarHBondContact OG1-CB 3.42Å; T183-S186 PolarHBondContact OG1-N 3.34Å; T183-S186 PolarHBondContact OG1-OG 3.12Å; T183-I187 PolarHBondContact O-N 2.85Å; T183-R212 WeakPolarHBondContact CA-O 3.4Å
184	V	89.5	Confident	87.3	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-54.7	-46.2	176.4	170	0	0	0	0	111.1	I187 L188 L209 R212 V214 L217 F225	V184-I187 PolarHBondContact O-N 3.4Å; V184-L188 HydrophobicContact CG1-CD1 3.64Å; V184-L188 HydrophobicContact CG1-CG 4.28Å; V184-L188 VanDerWaalsContact O-CG 3.24Å; V184-L188 WeakPolarHBondContact O-CG 3.39Å; V184-L188 PolarHBondContact O-N 2.84Å; V184-L209 WeakPolarHBondContact CB-O 3.41Å; V184-R212 PolarHBondContact N-O 3.5Å; V184-V214 HydrophobicContact CG2-CG2 4.27Å; V184-L217 HydrophobicContact CG2-CD1 3.72Å; V184-L217 HydrophobicContact CG2-CD2 4.31Å; V184-L217 HydrophobicContact CG2-CG 4.38Å; V184-F225 HydrophobicContact CB-CD2 4.48Å; V184-F225 HydrophobicContact CB-CE2 4.42Å; V184-F225 HydrophobicContact CG1-CD2 3.75Å; V184-F225 HydrophobicContact CG1-CE2 3.97Å; V184-F225 HydrophobicContact CG2-CD2 4.33Å; V184-F225 HydrophobicContact CG2-CE2 4.48Å
185	G	89.8	Confident	87.8	Confident	7 Å²	7	71.9 Å²	71.9	7%	0.072	37%	0.368	C	S	.	.	H	α-helix	trans	-56.7	-54	178.8	0	0	0	0	0	112	T183 I187 L188 D189 K210	T183-G185 VanDerWaalsContact C-N 3.28Å; T183-G185 PolarHBondContact O-N 2.87Å; G185-I187 VanDerWaalsContact C-N 3.28Å; G185-I187 PolarHBondContact O-N 3.46Å; G185-L188 PolarHBondContact O-N 3.02Å; G185-L188 VanDerWaalsContact O-N 3.14Å; G185-D189 PolarHBondContact O-N 3.46Å; G185-K210 PolarHBondContact N-O 2.83Å
186	S	90.7	Very high	88.1	Confident	55 Å²	55	68.8 Å²	68.8	39%	0.385	36%	0.357	S	S	.	.	H	α-helix	trans	-58.9	-37.3	-178.4	67.9	0	0	0	0	113.6	T183 R190	T183-S186 PolarHBondContact N-OG 3.44Å; T183-S186 PolarHBondContact O-N 2.79Å; T183-S186 PolarHBondContact O-OG 3.17Å; T183-S186 WeakPolarHBondContact OG1-CB 3.42Å; T183-S186 PolarHBondContact OG1-N 3.34Å; T183-S186 PolarHBondContact OG1-OG 3.12Å; S186-R190 WeakPolarHBondContact O-CB 3.46Å; S186-R190 PolarHBondContact O-N 3.17Å; S186-R190 VanDerWaalsContact O-N 3.12Å
187	I	90.9	Very high	88.4	Confident	8 Å²	8	68.9 Å²	68.9	4%	0.041	36%	0.357	C	S	.	.	H	α-helix	trans	-74	-40.1	179.8	-64.7	163.1	0	0	0	110.8	A180 T183 V184 G185 K191 V214 F225	A180-I187 HydrophobicContact CB-CD1 4.18Å; T183-I187 PolarHBondContact O-N 2.85Å; V184-I187 PolarHBondContact O-N 3.4Å; G185-I187 VanDerWaalsContact C-N 3.28Å; G185-I187 PolarHBondContact O-N 3.46Å; I187-K191 WeakPolarHBondContact O-CB 3.31Å; I187-K191 WeakPolarHBondContact O-CG 3.46Å; I187-K191 PolarHBondContact O-N 3.42Å; I187-V214 HydrophobicContact CD1-CG2 3.48Å; I187-V214 VanDerWaalsContact CD1-CG2 3.48Å; I187-F225 HydrophobicContact CB-CE2 4.41Å; I187-F225 HydrophobicContact CB-CZ 4.04Å; I187-F225 HydrophobicContact CD1-CZ 4.16Å; I187-F225 HydrophobicContact CG2-CE2 4.33Å; I187-F225 HydrophobicContact CG2-CZ 3.73Å
188	L	92.1	Very high	88.9	Confident	0 Å²	0	70.6 Å²	70.6	0%	0	37%	0.374	C	S	.	.	H	α-helix	trans	-63.7	-46	175.3	-68.2	170.3	0	0	0	110.6	V184 G185 R190 K191 D192 Q197 F225 A228 V229 I232	V184-L188 HydrophobicContact CG1-CD1 3.64Å; V184-L188 HydrophobicContact CG1-CG 4.28Å; V184-L188 VanDerWaalsContact O-CG 3.24Å; V184-L188 WeakPolarHBondContact O-CG 3.39Å; V184-L188 PolarHBondContact O-N 2.84Å; G185-L188 PolarHBondContact O-N 3.02Å; G185-L188 VanDerWaalsContact O-N 3.14Å; L188-R190 VanDerWaalsContact C-N 3.3Å; L188-R190 PolarHBondContact O-N 2.93Å; L188-K191 CarbonylContact O-C 3.51Å; L188-K191 PolarHBondContact O-N 2.95Å; L188-D192 WeakPolarHBondContact O-CB 3.32Å; L188-D192 PolarHBondContact O-N 3.06Å; L188-Q197 HydrophobicContact CB-CG 4.24Å; L188-Q197 VanDerWaalsContact CB-NE2 3.27Å; L188-F225 HydrophobicContact CD2-CD2 4.24Å; L188-F225 HydrophobicContact CD2-CE2 4.07Å; L188-F225 HydrophobicContact CG-CD2 4.41Å; L188-F225 HydrophobicContact CG-CE2 4.04Å; L188-A228 HydrophobicContact CD2-CB 4.18Å; L188-V229 HydrophobicContact CD2-CG2 3.81Å; L188-I232 HydrophobicContact CB-CD1 4.09Å; L188-I232 HydrophobicContact CD2-CD1 3.63Å; L188-I232 HydrophobicContact CG-CD1 4.48Å; L188-I232 WeakPolarHBondContact O-CD1 3.26Å
189	D	92.2	Very high	89.4	Confident	95 Å²	95	66 Å²	66	51%	0.508	36%	0.36	S	S	.	.	H	α-helix	trans	-61.4	-39.8	-179.8	-62.4	-15.5	0	0	0	111.4	G185 K191 Q197	G185-D189 PolarHBondContact O-N 3.46Å; D189-K191 VanDerWaalsContact C-N 3.27Å; D189-K191 PolarHBondContact O-N 2.97Å; D189-Q197 PolarHBondContact OD1-NE2 3.36Å; D189-Q197 PolarHBondContact OD1-OE1 3.32Å
190	R	91	Very high	90	Very high	175 Å²	175	61.8 Å²	61.8	66%	0.66	33%	0.325	S	S	*	.	H	α-helix	trans	-67.7	-25.4	176.4	-173.9	179.8	63.6	179.3	-3.4	113.4	S186 L188	S186-R190 WeakPolarHBondContact O-CB 3.46Å; S186-R190 PolarHBondContact O-N 3.17Å; S186-R190 VanDerWaalsContact O-N 3.12Å; L188-R190 VanDerWaalsContact C-N 3.3Å; L188-R190 PolarHBondContact O-N 2.93Å
191	K	91	Very high	90.6	Very high	83 Å²	83	60.8 Å²	60.8	36%	0.361	32%	0.317	S	S	.	.	H	α-helix	trans	-106.3	-6.5	-174.6	-73	-67.2	-169.5	176.8	0	113.5	I187 L188 D189 E193 V229 I232 Q233	I187-K191 WeakPolarHBondContact O-CB 3.31Å; I187-K191 WeakPolarHBondContact O-CG 3.46Å; I187-K191 PolarHBondContact O-N 3.42Å; L188-K191 CarbonylContact O-C 3.51Å; L188-K191 PolarHBondContact O-N 2.95Å; D189-K191 VanDerWaalsContact C-N 3.27Å; D189-K191 PolarHBondContact O-N 2.97Å; K191-E193 PolarHBondContact O-N 2.67Å; K191-V229 HydrophobicContact CG-CG1 4.47Å; K191-I232 HydrophobicContact CB-CD1 4.29Å; K191-Q233 HydrophobicContact CB-CG 4.36Å; K191-Q233 WeakPolarHBondContact O-CG 3.4Å
192	D	91.6	Very high	91.1	Very high	43 Å²	43	58.8 Å²	58.8	23%	0.23	31%	0.31	C	S	.	.			trans	-72.8	114.3	178.7	-171.9	13.1	0	0	0	110.4	L188 T194 K195 Q197 I232	L188-D192 WeakPolarHBondContact O-CB 3.32Å; L188-D192 PolarHBondContact O-N 3.06Å; D192-T194 PolarHBondContact OD1-N 2.94Å; D192-T194 VanDerWaalsContact OD1-N 3.16Å; D192-T194 PolarHBondContact OD1-OG1 3.09Å; D192-K195 PolarHBondContact OD1-N 2.78Å; D192-K195 WeakPolarHBondContact OD2-CA 3.38Å; D192-Q197 HydrophobicContact CB-CB 4.34Å; D192-Q197 VanDerWaalsContact OD2-CB 3.24Å; D192-Q197 WeakPolarHBondContact OD2-CB 3.38Å; D192-I232 HydrophobicContact CB-CD1 4.2Å
193	E	92.5	Very high	91.3	Very high	93 Å²	93	59.9 Å²	59.9	44%	0.435	31%	0.308	S	S	.	.	S	Bend	trans	-114.6	-12.2	176.1	-64	173.2	179.1	0	0	111.3	K165 K191 I232 K234	K165-E193 IonicContact NZ-OE1 3.47Å; K165-E193 PolarHBondContact NZ-OE1 2.79Å; K165-E193 IonicContact NZ-OE2 3.88Å; K165-E193 PolarHBondContact NZ-OE2 3.32Å; K191-E193 PolarHBondContact O-N 2.67Å; E193-I232 PolarHBondContact N-O 3.12Å; E193-K234 HydrophobicContact CB-CB 3.98Å; E193-K234 WeakPolarHBondContact OE2-CA 3.4Å; E193-K234 WeakPolarHBondContact OE2-CB 3.13Å; E193-K234 PolarHBondContact OE2-N 2.74Å
194	T	88.3	Confident	91.4	Very high	40 Å²	40	58.1 Å²	58.1	25%	0.245	30%	0.296	C	S	.	.	S	Bend	trans	-105.7	-11.4	-173.6	57.5	0	0	0	0	113.5	D192 T196 I232 K234	D192-T194 PolarHBondContact OD1-N 2.94Å; D192-T194 VanDerWaalsContact OD1-N 3.16Å; D192-T194 PolarHBondContact OD1-OG1 3.09Å; T194-T196 PolarHBondContact O-N 3.08Å; T194-T196 PolarHBondContact OG1-N 3.49Å; T194-T196 PolarHBondContact OG1-OG1 3.47Å; T194-I232 PolarHBondContact N-O 3.13Å; T194-I232 WeakPolarHBondContact OG1-CA 3.49Å; T194-I232 PolarHBondContact OG1-O 3.07Å; T194-I232 VanDerWaalsContact OG1-O 3.07Å; T194-K234 HydrophobicContact CG2-CB 4.46Å
195	K	87.9	Confident	91.5	Very high	194 Å²	194	60.3 Å²	60.3	84%	0.843	31%	0.308	S	S	*	.	S	Bend	trans	58.8	20	-172.4	-56.3	-179.3	178	179.7	0	112.9	D192	D192-K195 PolarHBondContact OD1-N 2.78Å; D192-K195 WeakPolarHBondContact OD2-CA 3.38Å
196	T	89.1	Confident	91.5	Very high	58 Å²	58	60 Å²	60	36%	0.356	31%	0.305	S	S	.	.			trans	-100	5.9	177.7	59.3	0	0	0	0	112.4	T194 A198 V199 V200	T194-T196 PolarHBondContact O-N 3.08Å; T194-T196 PolarHBondContact OG1-N 3.49Å; T194-T196 PolarHBondContact OG1-OG1 3.47Å; T196-A198 VanDerWaalsContact C-N 3.26Å; T196-A198 PolarHBondContact O-N 3.29Å; T196-A198 VanDerWaalsContact O-N 3.15Å; T196-V199 PolarHBondContact O-N 3.49Å; T196-V200 WeakPolarHBondContact O-CG2 3.14Å; T196-V200 PolarHBondContact O-N 2.94Å
197	Q	90.4	Very high	91.5	Very high	23 Å²	23	61.1 Å²	61.1	11%	0.107	31%	0.31	C	S	.	.	H	α-helix	trans	-50.5	-42.1	-177.7	-176.5	-157.4	14.9	0	0	113	L188 D189 D192 V199 V200 C201 I232	L188-Q197 HydrophobicContact CB-CG 4.24Å; L188-Q197 VanDerWaalsContact CB-NE2 3.27Å; D189-Q197 PolarHBondContact OD1-NE2 3.36Å; D189-Q197 PolarHBondContact OD1-OE1 3.32Å; D192-Q197 HydrophobicContact CB-CB 4.34Å; D192-Q197 VanDerWaalsContact OD2-CB 3.24Å; D192-Q197 WeakPolarHBondContact OD2-CB 3.38Å; Q197-V199 PolarHBondContact O-N 3.16Å; Q197-V200 PolarHBondContact O-N 3.38Å; Q197-C201 WeakPolarHBondContact O-CB 3.15Å; Q197-C201 PolarHBondContact O-N 3.38Å; Q197-C201 PolarHBondContact O-SG 3.45Å; Q197-I232 HydrophobicContact CB-CG2 4.17Å
198	A	92.2	Very high	91.3	Very high	68 Å²	68	66.4 Å²	66.4	56%	0.562	33%	0.334	S	S	*	.	H	α-helix	trans	-60.6	-46.5	179.6	0	0	0	0	0	112.4	T196 Q202	T196-A198 VanDerWaalsContact C-N 3.26Å; T196-A198 PolarHBondContact O-N 3.29Å; T196-A198 VanDerWaalsContact O-N 3.15Å; A198-Q202 WeakPolarHBondContact O-CB 3.5Å; A198-Q202 PolarHBondContact O-N 2.92Å
199	V	93.3	Very high	91	Very high	79 Å²	79	66.4 Å²	66.4	48%	0.479	33%	0.334	S	S	.	.	H	α-helix	trans	-66.4	-47	179.3	-179.2	0	0	0	0	110.4	T196 Q197 C201 Q202 Q203	T196-V199 PolarHBondContact O-N 3.49Å; Q197-V199 PolarHBondContact O-N 3.16Å; V199-C201 PolarHBondContact O-N 2.84Å; V199-Q202 PolarHBondContact O-N 2.99Å; V199-Q203 HydrophobicContact CG1-CG 4.47Å; V199-Q203 WeakPolarHBondContact O-CG 3.13Å; V199-Q203 PolarHBondContact O-N 2.91Å
200	V	93.9	Very high	90.8	Very high	6 Å²	6	64.9 Å²	64.9	4%	0.036	32%	0.323	C	S	.	.	H	α-helix	trans	-63.4	-42.1	179.4	174.7	0	0	0	0	111.1	T196 Q197 Q202 Q203 L204 A228 C231 I232 T258	T196-V200 WeakPolarHBondContact O-CG2 3.14Å; T196-V200 PolarHBondContact O-N 2.94Å; Q197-V200 PolarHBondContact O-N 3.38Å; V200-Q202 VanDerWaalsContact C-N 3.3Å; V200-Q202 PolarHBondContact O-N 2.88Å; V200-Q203 PolarHBondContact O-N 2.91Å; V200-L204 HydrophobicContact CG1-CD1 3.88Å; V200-L204 WeakPolarHBondContact O-CB 3.29Å; V200-L204 PolarHBondContact O-N 2.88Å; V200-A228 HydrophobicContact CG1-CB 3.82Å; V200-C231 HydrophobicContact CG1-CB 3.99Å; V200-C231 HydrophobicContact CG2-CB 4.2Å; V200-I232 HydrophobicContact CB-CG2 4Å; V200-I232 HydrophobicContact CG1-CG2 4.08Å; V200-I232 HydrophobicContact CG2-CG2 4.09Å; V200-T258 HydrophobicContact CG1-CG2 4.24Å
201	C	93.3	Very high	90.6	Very high	1 Å²	1	64.2 Å²	64.2	1%	0.007	33%	0.327	C	S	.	.	H	α-helix	trans	-63.8	-36.3	176.2	-72.8	0	0	0	0	112.2	Q197 V199 D205 L206 T207	Q197-C201 WeakPolarHBondContact O-CB 3.15Å; Q197-C201 PolarHBondContact O-N 3.38Å; Q197-C201 PolarHBondContact O-SG 3.45Å; V199-C201 PolarHBondContact O-N 2.84Å; C201-D205 PolarHBondContact O-N 3.47Å; C201-L206 HydrophobicContact CB-CB 4.3Å; C201-L206 PolarHBondContact O-N 2.91Å; C201-T207 HydrophobicContact CB-CG2 4.1Å
202	Q	93.6	Very high	90.5	Very high	138 Å²	138	65.9 Å²	65.9	65%	0.645	33%	0.331	S	S	*	.	H	α-helix	trans	-69.8	-45.3	175.9	-173.8	179.8	5.9	0	0	111.1	A198 V199 V200 L204 D205	A198-Q202 WeakPolarHBondContact O-CB 3.5Å; A198-Q202 PolarHBondContact O-N 2.92Å; V199-Q202 PolarHBondContact O-N 2.99Å; V200-Q202 VanDerWaalsContact C-N 3.3Å; V200-Q202 PolarHBondContact O-N 2.88Å; Q202-L204 VanDerWaalsContact C-N 3.33Å; Q202-L204 PolarHBondContact O-N 3Å; Q202-D205 PolarHBondContact O-N 2.81Å
203	Q	93.1	Very high	90.4	Very high	52 Å²	52	66.6 Å²	66.6	24%	0.243	34%	0.335	C	S	.	.	H	α-helix	trans	-63	-38.6	179.5	-72.6	179.1	-10.4	0	0	112.6	V199 V200 D205 K254 T258	V199-Q203 HydrophobicContact CG1-CG 4.47Å; V199-Q203 WeakPolarHBondContact O-CG 3.13Å; V199-Q203 PolarHBondContact O-N 2.91Å; V200-Q203 PolarHBondContact O-N 2.91Å; Q203-D205 VanDerWaalsContact C-N 3.34Å; Q203-K254 WeakPolarHBondContact O-CB 3.28Å; Q203-K254 VanDerWaalsContact O-CD 3.31Å; Q203-K254 WeakPolarHBondContact O-CD 3.4Å; Q203-T258 WeakPolarHBondContact CB-OG1 3.25Å; Q203-T258 PolarHBondContact OE1-OG1 3.24Å
204	L	93.9	Very high	90.3	Very high	2 Å²	2	62.2 Å²	62.2	1%	0.01	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	11.8	-179.4	-65	173.4	0	0	0	113.4	V200 Q202 L206 R224 C227 A228 A255 T258	V200-L204 HydrophobicContact CG1-CD1 3.88Å; V200-L204 WeakPolarHBondContact O-CB 3.29Å; V200-L204 PolarHBondContact O-N 2.88Å; Q202-L204 VanDerWaalsContact C-N 3.33Å; Q202-L204 PolarHBondContact O-N 3Å; L204-L206 VanDerWaalsContact C-N 3.28Å; L204-L206 HydrophobicContact CB-CD1 4.2Å; L204-L206 HydrophobicContact CB-CG 4.07Å; L204-L206 PolarHBondContact O-N 3.44Å; L204-R224 HydrophobicContact CB-CB 4.36Å; L204-R224 WeakPolarHBondContact O-CD 3.48Å; L204-R224 PolarHBondContact O-NH1 3.15Å; L204-C227 HydrophobicContact CD1-CB 4.1Å; L204-A228 HydrophobicContact CD1-CB 3.65Å; L204-A255 HydrophobicContact CD2-CB 4.17Å; L204-T258 HydrophobicContact CD1-CG2 4.15Å; L204-T258 HydrophobicContact CG-CG2 4.31Å
205	D	90.4	Very high	90.2	Very high	46 Å²	46	67 Å²	67	25%	0.246	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.7	44.3	-179.4	-57.2	-39.1	0	0	0	113.2	C201 Q202 Q203 H208 R224 K254	C201-D205 PolarHBondContact O-N 3.47Å; Q202-D205 PolarHBondContact O-N 2.81Å; Q203-D205 VanDerWaalsContact C-N 3.34Å; D205-H208 PolarHBondContact O-CE1 3.45Å; D205-H208 PolarHBondContact O-ND1 3.45Å; D205-R224 PolarHBondContact O-NH1 2.99Å; D205-K254 IonicContact OD1-NZ 2.67Å; D205-K254 PolarHBondContact OD1-NZ 2.81Å; D205-K254 IonicContact OD2-NZ 3.24Å; D205-K254 PolarHBondContact OD2-NZ 3.26Å
206	L	91.1	Very high	90.2	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	32%	0.321	C	S	.	.			trans	-100	-6.9	179.4	-63	179.2	0	0	0	113.6	C201 L204 H208 L209 K210 R224 A228	C201-L206 HydrophobicContact CB-CB 4.3Å; C201-L206 PolarHBondContact O-N 2.91Å; L204-L206 VanDerWaalsContact C-N 3.28Å; L204-L206 HydrophobicContact CB-CD1 4.2Å; L204-L206 HydrophobicContact CB-CG 4.07Å; L204-L206 PolarHBondContact O-N 3.44Å; L206-H208 VanDerWaalsContact C-N 3.27Å; L206-H208 PolarHBondContact O-N 3.17Å; L206-L209 HydrophobicContact CD2-CD1 3.86Å; L206-L209 PolarHBondContact O-N 3.19Å; L206-K210 PolarHBondContact O-N 3.45Å; L206-R224 HydrophobicContact CD2-CB 3.85Å; L206-R224 HydrophobicContact CG-CB 4.47Å; L206-A228 HydrophobicContact CD1-CB 3.31Å
207	T	89.6	Confident	90	Very high	79 Å²	79	60.7 Å²	60.7	49%	0.485	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-54.9	-40.6	-176.5	49.2	0	0	0	0	113.1	C201 L209	C201-T207 HydrophobicContact CB-CG2 4.1Å; T207-L209 VanDerWaalsContact C-N 3.3Å; T207-L209 PolarHBondContact O-N 3.32Å
208	H	86.8	Confident	89.7	Confident	120 Å²	120	62.1 Å²	62.1	56%	0.556	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-80.5	-6.5	178.4	66.1	-83.6	0	0	0	114.1	D205 L206	D205-H208 PolarHBondContact O-CE1 3.45Å; D205-H208 PolarHBondContact O-ND1 3.45Å; L206-H208 VanDerWaalsContact C-N 3.27Å; L206-H208 PolarHBondContact O-N 3.17Å
209	L	86.5	Confident	89.3	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-103.7	-2.6	-176.6	-59.8	173.8	0	0	0	112.9	V184 L206 T207 E211 R212 L217 E221	V184-L209 WeakPolarHBondContact CB-O 3.41Å; L206-L209 HydrophobicContact CD2-CD1 3.86Å; L206-L209 PolarHBondContact O-N 3.19Å; T207-L209 VanDerWaalsContact C-N 3.3Å; T207-L209 PolarHBondContact O-N 3.32Å; L209-E211 VanDerWaalsContact C-N 3.26Å; L209-E211 PolarHBondContact O-N 3.26Å; L209-R212 WeakPolarHBondContact O-CB 3.45Å; L209-R212 PolarHBondContact O-N 2.9Å; L209-L217 HydrophobicContact CD2-CD2 4.46Å; L209-E221 HydrophobicContact CD1-CB 4.11Å; L209-E221 HydrophobicContact CD1-CG 3.68Å; L209-E221 WeakPolarHBondContact CD2-OE1 3.46Å
210	K	87.1	Confident	89	Confident	62 Å²	62	56 Å²	56	27%	0.27	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-39.7	-176	-76	-171.5	169.3	-161.8	0	113.6	G185 L206	G185-K210 PolarHBondContact N-O 2.83Å; L206-K210 PolarHBondContact O-N 3.45Å
211	E	88	Confident	88.8	Confident	161 Å²	161	56.9 Å²	56.9	75%	0.752	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-11.3	-179.4	-56.6	-50.4	134.7	0	0	113.7	L209	L209-E211 VanDerWaalsContact C-N 3.26Å; L209-E211 PolarHBondContact O-N 3.26Å
212	R	88.1	Confident	88.8	Confident	119 Å²	119	57.2 Å²	57.2	45%	0.449	29%	0.285	S	S	.	.	S	Bend	trans	-77.7	150.6	179	-71.2	-164.3	179.4	170.3	-0.8	111.3	T183 V184 L209 L217 E221	T183-R212 WeakPolarHBondContact CA-O 3.4Å; V184-R212 PolarHBondContact N-O 3.5Å; L209-R212 WeakPolarHBondContact O-CB 3.45Å; L209-R212 PolarHBondContact O-N 2.9Å; R212-L217 HydrophobicContact CB-CD2 4.18Å; R212-E221 IonicContact NH1-OE1 3.62Å; R212-E221 PolarHBondContact NH1-OE1 3.46Å
213	N	89.8	Confident	88.7	Confident	58 Å²	58	50.6 Å²	50.6	31%	0.31	25%	0.254	S	S	.	.	B	Isolated β-bridge	trans	-76.8	148	170.5	-60.5	-47	0	0	0	110.8	E215 D216	N213-E215 HydrophobicContact CB-CG 3.99Å; N213-E215 PolarHBondContact O-N 2.98Å; N213-D216 PolarHBondContact O-N 3.09Å
214	V	89.4	Confident	88.7	Confident	1 Å²	1	48.8 Å²	48.8	1%	0.006	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-61.3	-30.9	178.8	175.1	0	0	0	0	112.3	I176 P177 G182 V184 I187 D216 L217 L222 F225	I176-V214 HydrophobicContact CG2-CG1 4.03Å; P177-V214 HydrophobicContact CG-CG1 4.32Å; G182-V214 PolarHBondContact O-N 3.15Å; G182-V214 VanDerWaalsContact O-N 3.15Å; V184-V214 HydrophobicContact CG2-CG2 4.27Å; I187-V214 HydrophobicContact CD1-CG2 3.48Å; I187-V214 VanDerWaalsContact CD1-CG2 3.48Å; V214-D216 VanDerWaalsContact C-N 3.32Å; V214-D216 PolarHBondContact O-N 3Å; V214-L217 PolarHBondContact O-N 3.39Å; V214-L222 HydrophobicContact CG1-CD2 3.76Å; V214-L222 WeakPolarHBondContact O-CD2 3.31Å; V214-F225 HydrophobicContact CG1-CE1 4.13Å; V214-F225 HydrophobicContact CG2-CE1 3.83Å; V214-F225 HydrophobicContact CG2-CZ 3.87Å
215	E	87.4	Confident	88.7	Confident	139 Å²	139	48.9 Å²	48.9	65%	0.65	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-71.5	-23.4	179.7	60	-168.1	151.9	0	0	114.5	P177 N213	P177-E215 HydrophobicContact CB-CB 4.34Å; N213-E215 HydrophobicContact CB-CG 3.99Å; N213-E215 PolarHBondContact O-N 2.98Å
216	D	87.4	Confident	88.9	Confident	108 Å²	108	47 Å²	47	58%	0.578	24%	0.236	S	C	*	.	G	3₁₀ helix	trans	-89.1	-6.9	179.8	-61.3	-42.4	0	0	0	112.6	N213 V214	N213-D216 PolarHBondContact O-N 3.09Å; V214-D216 VanDerWaalsContact C-N 3.32Å; V214-D216 PolarHBondContact O-N 3Å
217	L	85.3	Confident	89.1	Confident	13 Å²	13	47.1 Å²	47.1	7%	0.068	24%	0.237	C	C	.	.			trans	-72	139.7	-178.7	-63.6	-176.1	0	0	0	111.6	V184 L209 R212 V214 E221 L222 F225	V184-L217 HydrophobicContact CG2-CD1 3.72Å; V184-L217 HydrophobicContact CG2-CD2 4.31Å; V184-L217 HydrophobicContact CG2-CG 4.38Å; L209-L217 HydrophobicContact CD2-CD2 4.46Å; R212-L217 HydrophobicContact CB-CD2 4.18Å; V214-L217 PolarHBondContact O-N 3.39Å; L217-E221 HydrophobicContact CB-CB 3.92Å; L217-E221 HydrophobicContact CD1-CB 4.48Å; L217-E221 HydrophobicContact CD2-CB 4.05Å; L217-E221 HydrophobicContact CG-CB 4.36Å; L217-L222 HydrophobicContact CB-CD2 3.92Å; L217-L222 HydrophobicContact CB-CG 3.72Å; L217-L222 HydrophobicContact CD1-CD2 4.04Å; L217-L222 HydrophobicContact CD1-CG 4.49Å; L217-F225 HydrophobicContact CD1-CB 4.26Å; L217-F225 HydrophobicContact CD1-CG 4.45Å
218	S	84.5	Confident	89.3	Confident	52 Å²	52	43.3 Å²	43.3	36%	0.364	21%	0.214	S	C	.	.			trans	-66.3	163.9	167.1	65.1	0	0	0	0	111.8	G220 E221 L222	S218-G220 VanDerWaalsContact C-N 3.3Å; S218-G220 PolarHBondContact O-N 3.21Å; S218-E221 WeakPolarHBondContact CB-OE2 3.35Å; S218-E221 PolarHBondContact N-OE2 3.15Å; S218-E221 PolarHBondContact O-N 3Å; S218-E221 VanDerWaalsContact O-N 3.1Å; S218-E221 WeakPolarHBondContact OG-CB 3.42Å; S218-E221 WeakPolarHBondContact OG-CG 3.2Å; S218-E221 PolarHBondContact OG-N 3.03Å; S218-E221 PolarHBondContact OG-OE2 3.49Å; S218-L222 WeakPolarHBondContact O-CB 3.29Å; S218-L222 WeakPolarHBondContact O-CG 3.48Å; S218-L222 PolarHBondContact O-N 3.22Å
219	G	83.8	Confident	89.6	Confident	12 Å²	12	38.7 Å²	38.7	12%	0.124	19%	0.194	C	C	.	.	H	α-helix	trans	-57.1	-40.4	179.5	0	0	0	0	0	113.4	Q223	G219-Q223 VanDerWaalsContact O-CB 3.31Å; G219-Q223 WeakPolarHBondContact O-CB 3.32Å; G219-Q223 PolarHBondContact O-N 3.18Å
220	G	87.3	Confident	90	Very high	7 Å²	7	39 Å²	39	7%	0.072	20%	0.195	C	C	.	.	H	α-helix	trans	-70.9	-34.3	175.8	0	0	0	0	0	113.5	S218 R224 L247	S218-G220 VanDerWaalsContact C-N 3.3Å; S218-G220 PolarHBondContact O-N 3.21Å; G220-R224 WeakPolarHBondContact O-CG 3.43Å; G220-R224 PolarHBondContact O-N 3.45Å; G220-R224 VanDerWaalsContact O-N 3.07Å; G220-R224 PolarHBondContact O-NE 3.08Å; G220-L247 WeakPolarHBondContact O-CD2 3.46Å
221	E	89.8	Confident	90.4	Very high	24 Å²	24	36.1 Å²	36.1	11%	0.112	18%	0.183	C	C	.	.	H	α-helix	trans	-68.4	-43.6	172.4	-71.7	166.2	150.1	0	0	111.6	L209 R212 L217 S218 Q223 R224 F225	L209-E221 HydrophobicContact CD1-CB 4.11Å; L209-E221 HydrophobicContact CD1-CG 3.68Å; L209-E221 WeakPolarHBondContact CD2-OE1 3.46Å; R212-E221 IonicContact NH1-OE1 3.62Å; R212-E221 PolarHBondContact NH1-OE1 3.46Å; L217-E221 HydrophobicContact CB-CB 3.92Å; L217-E221 HydrophobicContact CD1-CB 4.48Å; L217-E221 HydrophobicContact CD2-CB 4.05Å; L217-E221 HydrophobicContact CG-CB 4.36Å; S218-E221 WeakPolarHBondContact CB-OE2 3.35Å; S218-E221 PolarHBondContact N-OE2 3.15Å; S218-E221 PolarHBondContact O-N 3Å; S218-E221 VanDerWaalsContact O-N 3.1Å; S218-E221 WeakPolarHBondContact OG-CB 3.42Å; S218-E221 WeakPolarHBondContact OG-CG 3.2Å; S218-E221 PolarHBondContact OG-N 3.03Å; S218-E221 PolarHBondContact OG-OE2 3.49Å; E221-Q223 VanDerWaalsContact C-N 3.29Å; E221-Q223 PolarHBondContact O-N 2.82Å; E221-R224 PolarHBondContact O-N 3.48Å; E221-F225 VanDerWaalsContact O-CB 3.3Å; E221-F225 WeakPolarHBondContact O-CB 3.46Å; E221-F225 PolarHBondContact O-N 3.06Å
222	L	91.5	Very high	90.7	Very high	8 Å²	8	28.5 Å²	28.5	4%	0.042	15%	0.147	C	C	.	.	H	α-helix	trans	-59.1	-41.4	173.8	-78.4	171.4	0	0	0	111.8	V173 P177 V214 L217 S218 F225 A226	V173-L222 HydrophobicContact CB-CB 4.12Å; V173-L222 HydrophobicContact CG2-CB 4.31Å; P177-L222 HydrophobicContact CG-CD1 4.05Å; P177-L222 HydrophobicContact CG-CD2 4Å; V214-L222 HydrophobicContact CG1-CD2 3.76Å; V214-L222 WeakPolarHBondContact O-CD2 3.31Å; L217-L222 HydrophobicContact CB-CD2 3.92Å; L217-L222 HydrophobicContact CB-CG 3.72Å; L217-L222 HydrophobicContact CD1-CD2 4.04Å; L217-L222 HydrophobicContact CD1-CG 4.49Å; S218-L222 WeakPolarHBondContact O-CB 3.29Å; S218-L222 WeakPolarHBondContact O-CG 3.48Å; S218-L222 PolarHBondContact O-N 3.22Å; L222-F225 PolarHBondContact O-N 3.08Å; L222-A226 VanDerWaalsContact O-CB 3.29Å; L222-A226 WeakPolarHBondContact O-CB 3.37Å; L222-A226 PolarHBondContact O-N 2.81Å
223	Q	92.2	Very high	91	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-63.8	-48	177.1	-175.2	76.5	10.8	0	0	111.8	V173 G219 E221 F225 A226 C227 E242 P243 S245 L247	V173-Q223 HydrophobicContact CG1-CB 4.49Å; G219-Q223 VanDerWaalsContact O-CB 3.31Å; G219-Q223 WeakPolarHBondContact O-CB 3.32Å; G219-Q223 PolarHBondContact O-N 3.18Å; E221-Q223 VanDerWaalsContact C-N 3.29Å; E221-Q223 PolarHBondContact O-N 2.82Å; Q223-F225 VanDerWaalsContact C-N 3.34Å; Q223-F225 PolarHBondContact O-N 3.03Å; Q223-A226 PolarHBondContact O-N 3.3Å; Q223-C227 PolarHBondContact O-N 3.01Å; Q223-C227 PolarHBondContact O-SG 3.09Å; Q223-C227 VanDerWaalsContact O-SG 3.39Å; Q223-E242 PolarHBondContact NE2-O 2.82Å; Q223-P243 WeakPolarHBondContact CG-O 3.41Å; Q223-P243 PolarHBondContact NE2-O 3.5Å; Q223-S245 VanDerWaalsContact CG-O 3.29Å; Q223-S245 WeakPolarHBondContact CG-O 3.23Å; Q223-L247 HydrophobicContact CB-CD2 3.98Å; Q223-L247 HydrophobicContact CG-CD1 4.22Å; Q223-L247 HydrophobicContact CG-CD2 3.97Å; Q223-L247 HydrophobicContact CG-CG 4.02Å
224	R	93.9	Very high	91.1	Very high	14 Å²	14	27.7 Å²	27.7	5%	0.053	15%	0.145	C	C	.	.	H	α-helix	trans	-62	-42.5	176.1	-71	179.2	-62.6	132.1	-11.2	111.3	L204 D205 L206 G220 E221 C227 A228 L247	L204-R224 HydrophobicContact CB-CB 4.36Å; L204-R224 WeakPolarHBondContact O-CD 3.48Å; L204-R224 PolarHBondContact O-NH1 3.15Å; D205-R224 PolarHBondContact O-NH1 2.99Å; L206-R224 HydrophobicContact CD2-CB 3.85Å; L206-R224 HydrophobicContact CG-CB 4.47Å; G220-R224 WeakPolarHBondContact O-CG 3.43Å; G220-R224 PolarHBondContact O-N 3.45Å; G220-R224 VanDerWaalsContact O-N 3.07Å; G220-R224 PolarHBondContact O-NE 3.08Å; E221-R224 PolarHBondContact O-N 3.48Å; R224-C227 PolarHBondContact O-N 3.2Å; R224-A228 WeakPolarHBondContact O-CB 3.24Å; R224-A228 PolarHBondContact O-N 3.24Å; R224-L247 HydrophobicContact CG-CD2 3.69Å
225	F	94	Very high	91.3	Very high	4 Å²	4	27.7 Å²	27.7	2%	0.018	15%	0.145	C	C	.	.	H	α-helix	trans	-59.8	-46	173.8	170.6	-111.6	0	0	0	112.2	I176 V184 I187 L188 V214 L217 E221 L222 Q223 C227 A228 V229	I176-F225 HydrophobicContact CG2-CD1 4.43Å; I176-F225 HydrophobicContact CG2-CE1 4.11Å; V184-F225 HydrophobicContact CB-CD2 4.48Å; V184-F225 HydrophobicContact CB-CE2 4.42Å; V184-F225 HydrophobicContact CG1-CD2 3.75Å; V184-F225 HydrophobicContact CG1-CE2 3.97Å; V184-F225 HydrophobicContact CG2-CD2 4.33Å; V184-F225 HydrophobicContact CG2-CE2 4.48Å; I187-F225 HydrophobicContact CB-CE2 4.41Å; I187-F225 HydrophobicContact CB-CZ 4.04Å; I187-F225 HydrophobicContact CD1-CZ 4.16Å; I187-F225 HydrophobicContact CG2-CE2 4.33Å; I187-F225 HydrophobicContact CG2-CZ 3.73Å; L188-F225 HydrophobicContact CD2-CD2 4.24Å; L188-F225 HydrophobicContact CD2-CE2 4.07Å; L188-F225 HydrophobicContact CG-CD2 4.41Å; L188-F225 HydrophobicContact CG-CE2 4.04Å; V214-F225 HydrophobicContact CG1-CE1 4.13Å; V214-F225 HydrophobicContact CG2-CE1 3.83Å; V214-F225 HydrophobicContact CG2-CZ 3.87Å; L217-F225 HydrophobicContact CD1-CB 4.26Å; L217-F225 HydrophobicContact CD1-CG 4.45Å; E221-F225 VanDerWaalsContact O-CB 3.3Å; E221-F225 WeakPolarHBondContact O-CB 3.46Å; E221-F225 PolarHBondContact O-N 3.06Å; L222-F225 PolarHBondContact O-N 3.08Å; Q223-F225 VanDerWaalsContact C-N 3.34Å; Q223-F225 PolarHBondContact O-N 3.03Å; F225-C227 PolarHBondContact O-N 3.3Å; F225-A228 WeakPolarHBondContact O-CB 3.49Å; F225-A228 PolarHBondContact O-N 2.69Å; F225-V229 HydrophobicContact CD2-CG2 4.02Å; F225-V229 HydrophobicContact CE1-CG2 4.19Å; F225-V229 HydrophobicContact CE2-CG2 3.61Å; F225-V229 HydrophobicContact CG-CG2 4.5Å; F225-V229 HydrophobicContact CZ-CG2 3.72Å; F225-V229 WeakPolarHBondContact O-CG2 3.43Å; F225-V229 PolarHBondContact O-N 3.08Å
226	A	93.7	Very high	91.6	Very high	6 Å²	6	23.7 Å²	23.7	5%	0.05	13%	0.128	C	C	.	.	H	α-helix	trans	-61	-43.9	178.1	0	0	0	0	0	111.9	K169 V173 I176 L222 Q223 V230	K169-A226 HydrophobicContact CG-CB 4.1Å; V173-A226 HydrophobicContact CG1-CB 4.22Å; I176-A226 HydrophobicContact CD1-CB 3.55Å; L222-A226 VanDerWaalsContact O-CB 3.29Å; L222-A226 WeakPolarHBondContact O-CB 3.37Å; L222-A226 PolarHBondContact O-N 2.81Å; Q223-A226 PolarHBondContact O-N 3.3Å; A226-V230 PolarHBondContact O-N 2.72Å
227	C	94.9	Very high	92	Very high	2 Å²	2	18.5 Å²	18.5	1%	0.014	10%	0.101	C	C	.	.	H	α-helix	trans	-61.7	-45.5	173.7	-68.5	0	0	0	0	111.1	L204 Q223 R224 F225 V229 V230 C231	L204-C227 HydrophobicContact CD1-CB 4.1Å; Q223-C227 PolarHBondContact O-N 3.01Å; Q223-C227 PolarHBondContact O-SG 3.09Å; Q223-C227 VanDerWaalsContact O-SG 3.39Å; R224-C227 PolarHBondContact O-N 3.2Å; F225-C227 PolarHBondContact O-N 3.3Å; C227-V229 PolarHBondContact O-N 2.79Å; C227-V230 PolarHBondContact O-N 2.67Å; C227-C231 PolarHBondContact O-N 2.95Å; C227-C231 PolarHBondContact O-SG 3.4Å
228	A	94.6	Very high	92.6	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-59.8	-46.4	179.5	0	0	0	0	0	112.6	L188 V200 L204 L206 R224 F225 V230 C231 I232	L188-A228 HydrophobicContact CD2-CB 4.18Å; V200-A228 HydrophobicContact CG1-CB 3.82Å; L204-A228 HydrophobicContact CD1-CB 3.65Å; L206-A228 HydrophobicContact CD1-CB 3.31Å; R224-A228 WeakPolarHBondContact O-CB 3.24Å; R224-A228 PolarHBondContact O-N 3.24Å; F225-A228 WeakPolarHBondContact O-CB 3.49Å; F225-A228 PolarHBondContact O-N 2.69Å; A228-V230 PolarHBondContact O-N 2.84Å; A228-C231 PolarHBondContact O-N 3.09Å; A228-C231 VanDerWaalsContact O-N 3.09Å; A228-I232 WeakPolarHBondContact O-CG1 3.25Å; A228-I232 WeakPolarHBondContact O-CG2 3.19Å; A228-I232 PolarHBondContact O-N 3.04Å; A228-I232 VanDerWaalsContact O-N 3.08Å
229	V	93.5	Very high	93.1	Very high	23 Å²	23	15.5 Å²	15.5	14%	0.139	8%	0.08	C	C	.	.	H	α-helix	trans	-56.9	-38.2	178.1	170.1	0	0	0	0	111.2	L188 K191 F225 C227 I232 Q233	L188-V229 HydrophobicContact CD2-CG2 3.81Å; K191-V229 HydrophobicContact CG-CG1 4.47Å; F225-V229 HydrophobicContact CD2-CG2 4.02Å; F225-V229 HydrophobicContact CE1-CG2 4.19Å; F225-V229 HydrophobicContact CE2-CG2 3.61Å; F225-V229 HydrophobicContact CG-CG2 4.5Å; F225-V229 HydrophobicContact CZ-CG2 3.72Å; F225-V229 WeakPolarHBondContact O-CG2 3.43Å; F225-V229 PolarHBondContact O-N 3.08Å; C227-V229 PolarHBondContact O-N 2.79Å; V229-I232 WeakPolarHBondContact O-CG1 3.46Å; V229-Q233 PolarHBondContact O-NE2 2.77Å
230	V	94.4	Very high	93.7	Very high	6 Å²	6	14.9 Å²	14.9	4%	0.036	7%	0.074	C	C	.	.	H	α-helix	trans	-71.2	-43.3	176.5	172.3	0	0	0	0	111.3	I167 K169 A226 C227 A228 I232 Q233 F238 F240	I167-V230 HydrophobicContact CG2-CB 4.19Å; I167-V230 HydrophobicContact CG2-CG1 3.8Å; I167-V230 HydrophobicContact CG2-CG2 3.81Å; K169-V230 HydrophobicContact CB-CG2 3.91Å; A226-V230 PolarHBondContact O-N 2.72Å; C227-V230 PolarHBondContact O-N 2.67Å; A228-V230 PolarHBondContact O-N 2.84Å; V230-I232 VanDerWaalsContact C-N 3.33Å; V230-I232 PolarHBondContact O-N 2.91Å; V230-Q233 PolarHBondContact O-N 3.32Å; V230-F238 HydrophobicContact CG1-CD1 3.82Å; V230-F238 HydrophobicContact CG1-CE1 4.45Å; V230-F238 WeakPolarHBondContact O-CE1 3.47Å; V230-F240 HydrophobicContact CB-CE1 4.05Å; V230-F240 HydrophobicContact CB-CZ 4.28Å; V230-F240 HydrophobicContact CG1-CE1 3.77Å; V230-F240 HydrophobicContact CG1-CE2 4.34Å; V230-F240 HydrophobicContact CG1-CZ 3.59Å
231	C	94.5	Very high	94	Very high	2 Å²	2	15 Å²	15	1%	0.014	7%	0.073	C	C	.	.	H	α-helix	trans	-69.2	-23.2	-176.4	-63.5	0	0	0	0	115.1	V200 C227 A228 T258 L262	V200-C231 HydrophobicContact CG1-CB 3.99Å; V200-C231 HydrophobicContact CG2-CB 4.2Å; C227-C231 PolarHBondContact O-N 2.95Å; C227-C231 PolarHBondContact O-SG 3.4Å; A228-C231 PolarHBondContact O-N 3.09Å; A228-C231 VanDerWaalsContact O-N 3.09Å; C231-T258 HydrophobicContact CB-CG2 4.22Å; C231-L262 HydrophobicContact CB-CD1 4.36Å; C231-L262 HydrophobicContact CB-CD2 4.17Å
232	I	94.1	Very high	94.1	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-3.9	-179.8	65.4	176.1	0	0	0	113.9	L188 K191 D192 E193 T194 Q197 V200 A228 V229 V230	L188-I232 HydrophobicContact CB-CD1 4.09Å; L188-I232 HydrophobicContact CD2-CD1 3.63Å; L188-I232 HydrophobicContact CG-CD1 4.48Å; L188-I232 WeakPolarHBondContact O-CD1 3.26Å; K191-I232 HydrophobicContact CB-CD1 4.29Å; D192-I232 HydrophobicContact CB-CD1 4.2Å; E193-I232 PolarHBondContact N-O 3.12Å; T194-I232 PolarHBondContact N-O 3.13Å; T194-I232 WeakPolarHBondContact OG1-CA 3.49Å; T194-I232 PolarHBondContact OG1-O 3.07Å; T194-I232 VanDerWaalsContact OG1-O 3.07Å; Q197-I232 HydrophobicContact CB-CG2 4.17Å; V200-I232 HydrophobicContact CB-CG2 4Å; V200-I232 HydrophobicContact CG1-CG2 4.08Å; V200-I232 HydrophobicContact CG2-CG2 4.09Å; A228-I232 WeakPolarHBondContact O-CG1 3.25Å; A228-I232 WeakPolarHBondContact O-CG2 3.19Å; A228-I232 PolarHBondContact O-N 3.04Å; A228-I232 VanDerWaalsContact O-N 3.08Å; V229-I232 WeakPolarHBondContact O-CG1 3.46Å; V230-I232 VanDerWaalsContact C-N 3.33Å; V230-I232 PolarHBondContact O-N 2.91Å
233	Q	94.3	Very high	94.1	Very high	18 Å²	18	14 Å²	14	8%	0.084	7%	0.069	C	C	.	.	S	Bend	trans	-94.3	148.1	178.7	-76.2	174	87.5	0	0	110.7	I167 K191 V229 V230	I167-Q233 HydrophobicContact CD1-CB 3.28Å; I167-Q233 HydrophobicContact CD1-CG 4.14Å; K191-Q233 HydrophobicContact CB-CG 4.36Å; K191-Q233 WeakPolarHBondContact O-CG 3.4Å; V229-Q233 PolarHBondContact O-NE2 2.77Å; V230-Q233 PolarHBondContact O-N 3.32Å
234	K	92.6	Very high	94	Very high	142 Å²	142	14.1 Å²	14.1	62%	0.617	7%	0.069	S	C	*	.			trans	-83.6	119.7	172.6	-169.9	-178.4	178.7	-173.5	0	108	K165 E193 T194	K165-K234 VanDerWaalsContact CD-O 3.27Å; K165-K234 WeakPolarHBondContact CD-O 3.46Å; K165-K234 WeakPolarHBondContact CE-O 3.33Å; K165-K234 PolarHBondContact NZ-O 3.28Å; E193-K234 HydrophobicContact CB-CB 3.98Å; E193-K234 WeakPolarHBondContact OE2-CA 3.4Å; E193-K234 WeakPolarHBondContact OE2-CB 3.13Å; E193-K234 PolarHBondContact OE2-N 2.74Å; T194-K234 HydrophobicContact CG2-CB 4.46Å
235	A	93.6	Very high	93.6	Very high	2 Å²	2	14.3 Å²	14.3	2%	0.017	7%	0.073	C	C	.	.			trans	-152.2	161.9	177.3	0	0	0	0	0	110.3	K165 I167 F238	K165-A235 HydrophobicContact CG-CB 4.3Å; K165-A235 WeakPolarHBondContact O-CB 3.31Å; I167-A235 HydrophobicContact CB-CB 4.28Å; I167-A235 HydrophobicContact CD1-CB 3.48Å; I167-A235 VanDerWaalsContact CD1-CB 3.48Å; I167-A235 HydrophobicContact CG1-CB 3.63Å; A235-F238 HydrophobicContact CB-CE1 4.08Å; A235-F238 HydrophobicContact CB-CE2 4.1Å; A235-F238 HydrophobicContact CB-CZ 3.8Å; A235-F238 WeakPolarHBondContact O-CE2 3.14Å
236	D	94.5	Very high	93.1	Very high	54 Å²	54	16.5 Å²	16.5	29%	0.289	8%	0.081	S	C	.	.	S	Bend	trans	-97.8	-29.2	178.6	-48	-66.6	0	0	0	110.4	L164 K165 R267 Y268	L164-D236 HydrophobicContact CB-CB 4.09Å; L164-D236 HydrophobicContact CD2-CB 3.8Å; L164-D236 HydrophobicContact CG-CB 4.35Å; K165-D236 PolarHBondContact N-OD2 3.14Å; K165-D236 PolarHBondContact O-N 2.93Å; D236-R267 CarbonylContact O-C 3.49Å; D236-R267 WeakPolarHBondContact O-CA 3.29Å; D236-Y268 PolarHBondContact O-N 3.28Å
237	I	95.8	Very high	93	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	118.1	-179.8	-56.7	155.5	0	0	0	109.6	Y155 I159 L164 K165 A166 I167 M239 Y268	Y155-I237 HydrophobicContact CE2-CD1 4.05Å; Y155-I237 HydrophobicContact CE2-CG1 4.2Å; Y155-I237 VanDerWaalsContact OH-CD1 3.29Å; Y155-I237 WeakPolarHBondContact OH-CD1 3.29Å; Y155-I237 WeakPolarHBondContact OH-CG2 3.43Å; I159-I237 HydrophobicContact CD1-CD1 3.92Å; I159-I237 HydrophobicContact CG1-CD1 3.84Å; L164-I237 HydrophobicContact CB-CD1 4Å; L164-I237 HydrophobicContact CD1-CD1 4.13Å; K165-I237 PolarHBondContact O-N 3.04Å; K165-I237 VanDerWaalsContact O-N 3.17Å; A166-I237 WeakPolarHBondContact CA-O 3.33Å; A166-I237 HydrophobicContact CB-CB 3.98Å; A166-I237 HydrophobicContact CB-CD1 4.21Å; A166-I237 HydrophobicContact CB-CG2 4.31Å; I167-I237 PolarHBondContact N-O 2.97Å; I237-M239 HydrophobicContact CG2-CE 3.34Å; I237-M239 HydrophobicContact CG2-CG 4.12Å; I237-Y268 WeakPolarHBondContact CA-O 3.36Å; I237-Y268 HydrophobicContact CG1-CD2 3.93Å; I237-Y268 HydrophobicContact CG1-CG 4.4Å
238	F	96.8	Very high	92.7	Very high	1 Å²	1	16.1 Å²	16.1	0%	0.004	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	126.4	175.3	-66.5	-90.1	0	0	0	110.3	V230 A235 F240 L262 R267 Y268 I269 I270	V230-F238 HydrophobicContact CG1-CD1 3.82Å; V230-F238 HydrophobicContact CG1-CE1 4.45Å; V230-F238 WeakPolarHBondContact O-CE1 3.47Å; A235-F238 HydrophobicContact CB-CE1 4.08Å; A235-F238 HydrophobicContact CB-CE2 4.1Å; A235-F238 HydrophobicContact CB-CZ 3.8Å; A235-F238 WeakPolarHBondContact O-CE2 3.14Å; F238-F240 HydrophobicContact CB-CE2 3.96Å; F238-L262 HydrophobicContact CD1-CD1 3.86Å; F238-L262 HydrophobicContact CE1-CD1 4.16Å; F238-L262 HydrophobicContact CG-CD1 4.09Å; F238-R267 HydrophobicContact CE2-CG 4.35Å; F238-Y268 PolarHBondContact N-O 3.24Å; F238-I269 HydrophobicContact CB-CG1 4.41Å; F238-I269 WeakPolarHBondContact O-CA 3.34Å; F238-I270 PolarHBondContact O-N 3.2Å
239	M	96.3	Very high	92.5	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	126.7	176.9	-56.9	-171.3	-172.5	0	0	111.3	L120 L123 A124 I167 I168 K169 I237 I270	L120-M239 HydrophobicContact CB-SD 4.07Å; L120-M239 HydrophobicContact CD2-CB 4.38Å; L120-M239 HydrophobicContact CD2-CG 4.4Å; L120-M239 HydrophobicContact CD2-SD 3.84Å; L120-M239 VanDerWaalsContact O-SD 3.39Å; L123-M239 VanDerWaalsContact C-CE 3.42Å; L123-M239 HydrophobicContact CB-CE 3.59Å; A124-M239 HydrophobicContact CB-CE 3.78Å; A124-M239 HydrophobicContact CB-SD 3.87Å; A124-M239 VanDerWaalsContact N-CE 3.34Å; I167-M239 PolarHBondContact O-N 2.89Å; I168-M239 WeakPolarHBondContact CA-O 3.4Å; I168-M239 HydrophobicContact CB-CB 4.4Å; I168-M239 HydrophobicContact CD1-SD 4.46Å; I168-M239 HydrophobicContact CG1-CB 4.18Å; I168-M239 HydrophobicContact CG1-SD 4.25Å; I168-M239 HydrophobicContact CG2-CB 4.16Å; K169-M239 PolarHBondContact N-O 3.31Å; I237-M239 HydrophobicContact CG2-CE 3.34Å; I237-M239 HydrophobicContact CG2-CG 4.12Å; M239-I270 CarbonylContact C-O 3.56Å; M239-I270 VanDerWaalsContact CA-O 3.29Å; M239-I270 WeakPolarHBondContact CA-O 3.43Å; M239-I270 HydrophobicContact CE-CD1 3.97Å; M239-I270 HydrophobicContact CG-CB 4.28Å
240	F	95.6	Very high	92.3	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	112.4	176.9	-63.3	-93.1	0	0	0	110.3	K169 V230 F238 P243 I259 L262 I270 V271 V272	K169-F240 HydrophobicContact CB-CD1 3.97Å; V230-F240 HydrophobicContact CB-CE1 4.05Å; V230-F240 HydrophobicContact CB-CZ 4.28Å; V230-F240 HydrophobicContact CG1-CE1 3.77Å; V230-F240 HydrophobicContact CG1-CE2 4.34Å; V230-F240 HydrophobicContact CG1-CZ 3.59Å; F238-F240 HydrophobicContact CB-CE2 3.96Å; F240-P243 HydrophobicContact CB-CB 4.29Å; F240-P243 HydrophobicContact CB-CG 3.91Å; F240-I259 HydrophobicContact CB-CD1 4.37Å; F240-I259 HydrophobicContact CD1-CD1 3.91Å; F240-I259 HydrophobicContact CD1-CG1 4.14Å; F240-I259 HydrophobicContact CD2-CD1 4.16Å; F240-I259 HydrophobicContact CD2-CG1 4.16Å; F240-I259 HydrophobicContact CD2-CG2 3.99Å; F240-I259 HydrophobicContact CE1-CD1 4.22Å; F240-I259 HydrophobicContact CE1-CG1 3.93Å; F240-I259 HydrophobicContact CE2-CB 4.45Å; F240-I259 HydrophobicContact CE2-CD1 4.44Å; F240-I259 HydrophobicContact CE2-CG1 3.94Å; F240-I259 HydrophobicContact CE2-CG2 3.85Å; F240-I259 HydrophobicContact CG-CD1 3.89Å; F240-I259 HydrophobicContact CG-CG1 4.26Å; F240-I259 HydrophobicContact CZ-CD1 4.47Å; F240-I259 HydrophobicContact CZ-CG1 3.83Å; F240-L262 HydrophobicContact CE2-CD1 4.06Å; F240-L262 HydrophobicContact CZ-CD1 3.88Å; F240-I270 PolarHBondContact N-O 3.03Å; F240-V271 HydrophobicContact CB-CG1 4.13Å; F240-V271 HydrophobicContact CB-CG2 4.21Å; F240-V271 HydrophobicContact CD2-CG2 4.2Å; F240-V271 WeakPolarHBondContact O-CA 3.29Å; F240-V272 PolarHBondContact O-N 2.89Å
241	D	92.8	Very high	92.2	Very high	9 Å²	9	19.2 Å²	19.2	5%	0.048	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	106.3	173.7	-153.8	-7.8	0	0	0	109.5	S117 L120 K169 Q171	S117-D241 PolarHBondContact OG-OD2 3.02Å; L120-D241 HydrophobicContact CD1-CB 3.98Å; K169-D241 WeakPolarHBondContact CD-O 3.35Å; K169-D241 PolarHBondContact NZ-O 3.44Å; Q171-D241 HydrophobicContact CB-CB 4.16Å
242	E	91.6	Very high	92.2	Very high	8 Å²	8	19.8 Å²	19.8	4%	0.037	9%	0.092	C	C	.	.	S	Bend	trans	52.5	65.3	-178.1	-61	176.5	-161.2	0	0	114.2	K169 Q171 Q223 S244 S245 V272 H274	K169-E242 PolarHBondContact NZ-O 2.74Å; Q171-E242 PolarHBondContact NE2-OE1 3.15Å; Q223-E242 PolarHBondContact NE2-O 2.82Å; E242-S244 VanDerWaalsContact C-N 3.29Å; E242-S244 PolarHBondContact O-N 3.35Å; E242-S245 PolarHBondContact OE2-OG 2.94Å; E242-V272 VanDerWaalsContact CA-O 3.28Å; E242-V272 WeakPolarHBondContact CA-O 3.45Å; E242-V272 HydrophobicContact CG-CG1 4.49Å; E242-V272 PolarHBondContact N-O 2.9Å; E242-H274 IonicContact OE1-CD2 2.7Å; E242-H274 PolarHBondContact OE1-CD2 3.29Å; E242-H274 IonicContact OE1-NE2 3.21Å; E242-H274 PolarHBondContact OE1-NE2 3.24Å
243	P	92.8	Very high	92	Very high	4 Å²	4	20.5 Å²	20.5	3%	0.026	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-23.3	177.6	21.8	-28.8	0	0	0	114.9	Q223 F240 L247 I259 V271 V272 E273	Q223-P243 WeakPolarHBondContact CG-O 3.41Å; Q223-P243 PolarHBondContact NE2-O 3.5Å; F240-P243 HydrophobicContact CB-CB 4.29Å; F240-P243 HydrophobicContact CB-CG 3.91Å; P243-L247 VanDerWaalsContact O-CD1 3.25Å; P243-L247 WeakPolarHBondContact O-CD1 3.4Å; P243-I259 HydrophobicContact CB-CD1 3.81Å; P243-I259 HydrophobicContact CG-CD1 3.87Å; P243-V271 HydrophobicContact CG-CG1 3.67Å; P243-V272 WeakPolarHBondContact CD-O 3.45Å; P243-E273 WeakPolarHBondContact CD-OE1 3.41Å; P243-E273 HydrophobicContact CG-CG 4.14Å; P243-E273 WeakPolarHBondContact CG-OE1 3.38Å
244	S	89.9	Confident	91.9	Very high	2 Å²	2	22.1 Å²	22.1	1%	0.014	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-14.3	-176.1	69.2	0	0	0	0	115.5	E242 Y246 L247 E273	E242-S244 VanDerWaalsContact C-N 3.29Å; E242-S244 PolarHBondContact O-N 3.35Å; S244-Y246 PolarHBondContact O-N 3.04Å; S244-L247 WeakPolarHBondContact O-CB 3.46Å; S244-L247 PolarHBondContact O-N 2.85Å; S244-L247 VanDerWaalsContact O-N 3.11Å; S244-E273 WeakPolarHBondContact CA-OE1 3.45Å; S244-E273 WeakPolarHBondContact CB-OE1 3.46Å; S244-E273 WeakPolarHBondContact CB-OE2 3.33Å; S244-E273 PolarHBondContact N-OE1 3.2Å; S244-E273 PolarHBondContact OG-OE1 2.89Å; S244-E273 PolarHBondContact OG-OE2 3.24Å
245	S	85.6	Confident	92	Very high	18 Å²	18	15.5 Å²	15.5	13%	0.126	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	134.8	-177	-69.9	0	0	0	0	111.9	Q223 E242 L247	Q223-S245 VanDerWaalsContact CG-O 3.29Å; Q223-S245 WeakPolarHBondContact CG-O 3.23Å; E242-S245 PolarHBondContact OE2-OG 2.94Å; S245-L247 PolarHBondContact O-N 2.84Å; S245-L247 VanDerWaalsContact O-N 3.12Å
246	Y	83.3	Confident	92	Very high	49 Å²	49	15.5 Å²	15.5	19%	0.192	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.2	-3	-175.5	-53.5	-72.9	0	0	0	117.3	V173 D174 S244 N381 Y491	V173-Y246 HydrophobicContact CG2-CD2 4.08Å; V173-Y246 HydrophobicContact CG2-CE2 3.8Å; D174-Y246 PolarHBondContact OD2-OH 3.44Å; S244-Y246 PolarHBondContact O-N 3.04Å; Y246-N381 PolarHBondContact O-ND2 2.89Å; Y246-N381 VanDerWaalsContact O-ND2 3.16Å; Y246-Y491 PolarHBondContact OH-OH 3.14Å
247	L	90.4	Very high	91.9	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.078	C	C	.	.			trans	-86.7	139.2	179.9	-56.5	-171.1	0	0	0	110	G220 Q223 R224 P243 S244 S245 Q251 R252 A255	G220-L247 WeakPolarHBondContact O-CD2 3.46Å; Q223-L247 HydrophobicContact CB-CD2 3.98Å; Q223-L247 HydrophobicContact CG-CD1 4.22Å; Q223-L247 HydrophobicContact CG-CD2 3.97Å; Q223-L247 HydrophobicContact CG-CG 4.02Å; R224-L247 HydrophobicContact CG-CD2 3.69Å; P243-L247 VanDerWaalsContact O-CD1 3.25Å; P243-L247 WeakPolarHBondContact O-CD1 3.4Å; S244-L247 WeakPolarHBondContact O-CB 3.46Å; S244-L247 PolarHBondContact O-N 2.85Å; S244-L247 VanDerWaalsContact O-N 3.11Å; S245-L247 PolarHBondContact O-N 2.84Å; S245-L247 VanDerWaalsContact O-N 3.12Å; L247-Q251 HydrophobicContact CB-CB 3.79Å; L247-Q251 HydrophobicContact CD1-CB 4.39Å; L247-Q251 HydrophobicContact CD2-CB 4.2Å; L247-Q251 HydrophobicContact CG-CB 4.34Å; L247-R252 HydrophobicContact CB-CG 3.68Å; L247-R252 PolarHBondContact O-NE 2.86Å; L247-R252 PolarHBondContact O-NH2 2.82Å; L247-A255 HydrophobicContact CD1-CB 3.91Å
248	D	89.8	Confident	91.8	Very high	1 Å²	1	16.3 Å²	16.3	1%	0.005	8%	0.078	C	C	.	.			trans	-69.1	171.6	163.8	65.6	51.1	0	0	0	110.7	K250 Q251 R252 N381	D248-K250 VanDerWaalsContact C-N 3.32Å; D248-K250 PolarHBondContact O-N 3.36Å; D248-K250 WeakPolarHBondContact OD1-CB 3.41Å; D248-K250 PolarHBondContact OD1-N 3.35Å; D248-Q251 PolarHBondContact O-N 2.75Å; D248-Q251 WeakPolarHBondContact OD1-CB 3.39Å; D248-Q251 WeakPolarHBondContact OD1-CG 3.42Å; D248-Q251 PolarHBondContact OD1-N 2.79Å; D248-Q251 PolarHBondContact OD2-NE2 2.79Å; D248-Q251 PolarHBondContact OD2-OE1 2.74Å; D248-R252 VanDerWaalsContact O-CG 3.26Å; D248-R252 WeakPolarHBondContact O-CG 3.27Å; D248-R252 PolarHBondContact O-N 3.42Å; D248-N381 HydrophobicContact CB-CB 4.4Å; D248-N381 PolarHBondContact N-ND2 3.16Å; D248-N381 WeakPolarHBondContact OD2-CB 3.31Å; D248-N381 PolarHBondContact OD2-N 3.14Å
249	V	90	Very high	91.8	Very high	5 Å²	5	16.3 Å²	16.3	3%	0.03	8%	0.078	C	C	.	.	H	α-helix	trans	-54.4	-45.1	-177.1	175.6	0	0	0	0	113.1	R252 L253 H520 F522 F558 L562	V249-R252 PolarHBondContact O-N 3.38Å; V249-L253 HydrophobicContact CG1-CD1 4.24Å; V249-L253 WeakPolarHBondContact O-CG 3.42Å; V249-L253 PolarHBondContact O-N 3.39Å; V249-L253 VanDerWaalsContact O-N 3.15Å; V249-H520 WeakPolarHBondContact CG2-O 3.46Å; V249-F522 HydrophobicContact CB-CE2 4.24Å; V249-F522 HydrophobicContact CB-CZ 4.49Å; V249-F522 HydrophobicContact CG1-CD2 4.27Å; V249-F522 HydrophobicContact CG1-CE2 3.24Å; V249-F522 HydrophobicContact CG1-CZ 3.61Å; V249-F522 HydrophobicContact CG2-CD2 4.44Å; V249-F522 HydrophobicContact CG2-CE2 3.94Å; V249-F522 HydrophobicContact CG2-CZ 4.13Å; V249-F558 HydrophobicContact CB-CE1 4.27Å; V249-F558 HydrophobicContact CB-CZ 4.05Å; V249-F558 HydrophobicContact CG1-CE1 4.36Å; V249-F558 HydrophobicContact CG2-CE1 4.01Å; V249-F558 HydrophobicContact CG2-CZ 4Å; V249-L562 HydrophobicContact CB-CD1 4.08Å; V249-L562 HydrophobicContact CG1-CD1 3.54Å
250	K	90.1	Very high	91.6	Very high	70 Å²	70	19.4 Å²	19.4	30%	0.304	9%	0.09	S	C	.	.	H	α-helix	trans	-66.9	-43.9	-178.3	-170.6	178.1	-177	178.9	0	111	D248 L253 K254 E380 L562	D248-K250 VanDerWaalsContact C-N 3.32Å; D248-K250 PolarHBondContact O-N 3.36Å; D248-K250 WeakPolarHBondContact OD1-CB 3.41Å; D248-K250 PolarHBondContact OD1-N 3.35Å; K250-L253 PolarHBondContact O-N 2.77Å; K250-K254 HydrophobicContact CG-CD 4.44Å; K250-K254 WeakPolarHBondContact O-CB 3.26Å; K250-K254 WeakPolarHBondContact O-CG 3.39Å; K250-K254 PolarHBondContact O-N 3.37Å; K250-E380 HydrophobicContact CB-CG 4.34Å; K250-E380 HydrophobicContact CD-CG 4.11Å; K250-E380 WeakPolarHBondContact CD-OE1 3.27Å; K250-E380 WeakPolarHBondContact CD-OE2 3.32Å; K250-E380 VanDerWaalsContact NZ-CD 3.33Å; K250-E380 IonicContact NZ-OE1 3.98Å; K250-E380 PolarHBondContact NZ-OE1 3.14Å; K250-E380 IonicContact NZ-OE2 3.88Å; K250-E380 PolarHBondContact NZ-OE2 2.69Å; K250-L562 HydrophobicContact CB-CD2 3.76Å; K250-L562 HydrophobicContact CD-CD2 4.08Å; K250-L562 HydrophobicContact CG-CD2 4.08Å
251	Q	92.4	Very high	91.5	Very high	19 Å²	19	22.7 Å²	22.7	9%	0.089	11%	0.112	C	C	.	.	H	α-helix	trans	-64.4	-38.6	177.2	-69.9	173.7	-6.8	0	0	111.6	L247 D248 L253 K254 A255 N381	L247-Q251 HydrophobicContact CB-CB 3.79Å; L247-Q251 HydrophobicContact CD1-CB 4.39Å; L247-Q251 HydrophobicContact CD2-CB 4.2Å; L247-Q251 HydrophobicContact CG-CB 4.34Å; D248-Q251 PolarHBondContact O-N 2.75Å; D248-Q251 WeakPolarHBondContact OD1-CB 3.39Å; D248-Q251 WeakPolarHBondContact OD1-CG 3.42Å; D248-Q251 PolarHBondContact OD1-N 2.79Å; D248-Q251 PolarHBondContact OD2-NE2 2.79Å; D248-Q251 PolarHBondContact OD2-OE1 2.74Å; Q251-L253 VanDerWaalsContact C-N 3.32Å; Q251-L253 PolarHBondContact O-N 2.87Å; Q251-K254 PolarHBondContact O-N 2.6Å; Q251-A255 WeakPolarHBondContact O-CB 3.02Å; Q251-A255 PolarHBondContact O-N 3.1Å; Q251-N381 PolarHBondContact OE1-ND2 3.34Å
252	R	93.1	Very high	91.5	Very high	14 Å²	14	22.8 Å²	22.8	5%	0.053	11%	0.113	C	C	.	.	H	α-helix	trans	-58.9	-44.1	173.5	-72.6	177.3	-169	-164.2	2	111.5	L247 D248 V249 A255 A256 D275 V278 H520	L247-R252 HydrophobicContact CB-CG 3.68Å; L247-R252 PolarHBondContact O-NE 2.86Å; L247-R252 PolarHBondContact O-NH2 2.82Å; D248-R252 VanDerWaalsContact O-CG 3.26Å; D248-R252 WeakPolarHBondContact O-CG 3.27Å; D248-R252 PolarHBondContact O-N 3.42Å; V249-R252 PolarHBondContact O-N 3.38Å; R252-A255 PolarHBondContact O-N 2.92Å; R252-A256 WeakPolarHBondContact O-CB 3.4Å; R252-A256 PolarHBondContact O-N 2.95Å; R252-D275 IonicContact CZ-OD2 3.65Å; R252-D275 IonicContact NH1-OD2 2.83Å; R252-D275 PolarHBondContact NH1-OD2 2.88Å; R252-V278 HydrophobicContact CB-CG2 3.8Å; R252-V278 HydrophobicContact CG-CG2 4.27Å; R252-H520 PolarHBondContact NH1-O 2.99Å; R252-H520 VanDerWaalsContact NH1-O 3.15Å
253	L	90.9	Very high	91.7	Very high	14 Å²	14	24.7 Å²	24.7	7%	0.073	12%	0.123	C	C	.	.	H	α-helix	trans	-73.6	-40	-179.1	-66.4	171.3	0	0	0	112.5	V249 K250 Q251 A255 A256 I257 Y281 I564 I577	V249-L253 HydrophobicContact CG1-CD1 4.24Å; V249-L253 WeakPolarHBondContact O-CG 3.42Å; V249-L253 PolarHBondContact O-N 3.39Å; V249-L253 VanDerWaalsContact O-N 3.15Å; K250-L253 PolarHBondContact O-N 2.77Å; Q251-L253 VanDerWaalsContact C-N 3.32Å; Q251-L253 PolarHBondContact O-N 2.87Å; L253-A255 VanDerWaalsContact C-N 3.32Å; L253-A255 PolarHBondContact O-N 3.29Å; L253-A256 PolarHBondContact O-N 2.93Å; L253-A256 VanDerWaalsContact O-N 3.13Å; L253-I257 VanDerWaalsContact O-CG1 3.24Å; L253-I257 WeakPolarHBondContact O-CG1 3.39Å; L253-I257 PolarHBondContact O-N 2.85Å; L253-Y281 HydrophobicContact CD2-CD1 4.29Å; L253-Y281 HydrophobicContact CD2-CG 4.31Å; L253-I564 HydrophobicContact CD1-CD1 2.99Å; L253-I564 HydrophobicContact CD1-CG1 3.81Å; L253-I564 HydrophobicContact CG-CD1 4.46Å; L253-I577 HydrophobicContact CD1-CD1 3.99Å; L253-I577 HydrophobicContact CD2-CD1 3.35Å; L253-I577 HydrophobicContact CG-CD1 4.33Å
254	K	92.8	Very high	91.7	Very high	52 Å²	52	27.8 Å²	27.8	23%	0.226	14%	0.139	C	C	.	.	H	α-helix	trans	-56.2	-47.6	169.5	-79.9	177.6	167.3	-164.9	0	111.4	Q203 D205 K250 Q251 A256 I257 T258	Q203-K254 WeakPolarHBondContact O-CB 3.28Å; Q203-K254 VanDerWaalsContact O-CD 3.31Å; Q203-K254 WeakPolarHBondContact O-CD 3.4Å; D205-K254 IonicContact OD1-NZ 2.67Å; D205-K254 PolarHBondContact OD1-NZ 2.81Å; D205-K254 IonicContact OD2-NZ 3.24Å; D205-K254 PolarHBondContact OD2-NZ 3.26Å; K250-K254 HydrophobicContact CG-CD 4.44Å; K250-K254 WeakPolarHBondContact O-CB 3.26Å; K250-K254 WeakPolarHBondContact O-CG 3.39Å; K250-K254 PolarHBondContact O-N 3.37Å; Q251-K254 PolarHBondContact O-N 2.6Å; K254-A256 VanDerWaalsContact C-N 3.3Å; K254-A256 PolarHBondContact O-N 3.48Å; K254-I257 PolarHBondContact O-N 3.31Å; K254-T258 PolarHBondContact O-N 3.07Å; K254-T258 PolarHBondContact O-OG1 2.76Å; K254-T258 VanDerWaalsContact O-OG1 3.06Å
255	A	94.4	Very high	91.8	Very high	3 Å²	3	32.4 Å²	32.4	3%	0.025	17%	0.169	C	C	.	.	H	α-helix	trans	-59.1	-42.3	174.7	0	0	0	0	0	111.8	L204 L247 Q251 R252 L253 T258 I259	L204-A255 HydrophobicContact CD2-CB 4.17Å; L247-A255 HydrophobicContact CD1-CB 3.91Å; Q251-A255 WeakPolarHBondContact O-CB 3.02Å; Q251-A255 PolarHBondContact O-N 3.1Å; R252-A255 PolarHBondContact O-N 2.92Å; L253-A255 VanDerWaalsContact C-N 3.32Å; L253-A255 PolarHBondContact O-N 3.29Å; A255-T258 PolarHBondContact O-N 3.42Å; A255-I259 VanDerWaalsContact O-CG1 3.28Å; A255-I259 WeakPolarHBondContact O-CG1 3.29Å; A255-I259 PolarHBondContact O-N 2.93Å
256	A	93.4	Very high	92	Very high	2 Å²	2	37.9 Å²	37.9	2%	0.017	20%	0.197	C	C	.	.	H	α-helix	trans	-65.9	-40.8	178.1	0	0	0	0	0	113.2	R252 L253 K254 I259 R260 V278 Y281 L282	R252-A256 WeakPolarHBondContact O-CB 3.4Å; R252-A256 PolarHBondContact O-N 2.95Å; L253-A256 PolarHBondContact O-N 2.93Å; L253-A256 VanDerWaalsContact O-N 3.13Å; K254-A256 VanDerWaalsContact C-N 3.3Å; K254-A256 PolarHBondContact O-N 3.48Å; A256-I259 PolarHBondContact O-N 3.48Å; A256-R260 WeakPolarHBondContact O-CG 3.31Å; A256-R260 PolarHBondContact O-N 3.2Å; A256-V278 HydrophobicContact CB-CG1 4.36Å; A256-Y281 HydrophobicContact CB-CD1 3.71Å; A256-Y281 HydrophobicContact CB-CE1 4.09Å; A256-L282 HydrophobicContact CB-CB 4.37Å; A256-L282 HydrophobicContact CB-CD1 3.8Å; A256-L282 WeakPolarHBondContact O-CD1 3.34Å
257	I	92	Very high	92.5	Very high	70 Å²	70	38 Å²	38	36%	0.359	20%	0.197	S	C	.	.	H	α-helix	trans	-61.8	-45.7	174	-67.4	163.7	0	0	0	110.2	L253 K254 I259 R260 S261 Y281	L253-I257 VanDerWaalsContact O-CG1 3.24Å; L253-I257 WeakPolarHBondContact O-CG1 3.39Å; L253-I257 PolarHBondContact O-N 2.85Å; K254-I257 PolarHBondContact O-N 3.31Å; I257-I259 PolarHBondContact O-N 2.62Å; I257-R260 PolarHBondContact O-N 3.18Å; I257-S261 PolarHBondContact O-N 3.32Å; I257-Y281 HydrophobicContact CG1-CE1 3.94Å; I257-Y281 WeakPolarHBondContact CG1-OH 3.46Å
258	T	94.6	Very high	92.8	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.006	20%	0.2	C	C	.	.	H	α-helix	trans	-61.9	-43.3	177.7	-58.7	0	0	0	0	111.7	V200 Q203 L204 C231 K254 A255 S261	V200-T258 HydrophobicContact CG1-CG2 4.24Å; Q203-T258 WeakPolarHBondContact CB-OG1 3.25Å; Q203-T258 PolarHBondContact OE1-OG1 3.24Å; L204-T258 HydrophobicContact CD1-CG2 4.15Å; L204-T258 HydrophobicContact CG-CG2 4.31Å; C231-T258 HydrophobicContact CB-CG2 4.22Å; K254-T258 PolarHBondContact O-N 3.07Å; K254-T258 PolarHBondContact O-OG1 2.76Å; K254-T258 VanDerWaalsContact O-OG1 3.06Å; A255-T258 PolarHBondContact O-N 3.42Å; T258-S261 WeakPolarHBondContact O-CB 3.4Å; T258-S261 PolarHBondContact O-N 3.32Å; T258-S261 PolarHBondContact O-OG 3.4Å
259	I	95.2	Very high	93.1	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.01	20%	0.2	C	C	.	.	H	α-helix	trans	-64.5	-43.6	176.8	-66	166.1	0	0	0	110.8	F240 P243 A255 A256 I257 S261 L262 I269 V271 L282	F240-I259 HydrophobicContact CB-CD1 4.37Å; F240-I259 HydrophobicContact CD1-CD1 3.91Å; F240-I259 HydrophobicContact CD1-CG1 4.14Å; F240-I259 HydrophobicContact CD2-CD1 4.16Å; F240-I259 HydrophobicContact CD2-CG1 4.16Å; F240-I259 HydrophobicContact CD2-CG2 3.99Å; F240-I259 HydrophobicContact CE1-CD1 4.22Å; F240-I259 HydrophobicContact CE1-CG1 3.93Å; F240-I259 HydrophobicContact CE2-CB 4.45Å; F240-I259 HydrophobicContact CE2-CD1 4.44Å; F240-I259 HydrophobicContact CE2-CG1 3.94Å; F240-I259 HydrophobicContact CE2-CG2 3.85Å; F240-I259 HydrophobicContact CG-CD1 3.89Å; F240-I259 HydrophobicContact CG-CG1 4.26Å; F240-I259 HydrophobicContact CZ-CD1 4.47Å; F240-I259 HydrophobicContact CZ-CG1 3.83Å; P243-I259 HydrophobicContact CB-CD1 3.81Å; P243-I259 HydrophobicContact CG-CD1 3.87Å; A255-I259 VanDerWaalsContact O-CG1 3.28Å; A255-I259 WeakPolarHBondContact O-CG1 3.29Å; A255-I259 PolarHBondContact O-N 2.93Å; A256-I259 PolarHBondContact O-N 3.48Å; I257-I259 PolarHBondContact O-N 2.62Å; I259-S261 PolarHBondContact O-N 2.89Å; I259-L262 WeakPolarHBondContact O-CB 3.28Å; I259-L262 PolarHBondContact O-N 3.16Å; I259-L262 VanDerWaalsContact O-N 3.09Å; I259-I269 HydrophobicContact CG2-CG2 3.92Å; I259-V271 HydrophobicContact CG2-CG2 4.11Å; I259-L282 HydrophobicContact CB-CD1 3.77Å; I259-L282 HydrophobicContact CD1-CD1 4.35Å; I259-L282 HydrophobicContact CG2-CD1 3.8Å
260	R	93.7	Very high	93.5	Very high	65 Å²	65	38.4 Å²	38.4	25%	0.245	20%	0.198	C	C	.	.	H	α-helix	trans	-63.9	-28.3	175.3	-74.4	-165.7	69.8	92.8	3.6	112.8	A256 I257 L262 I263 L282 D284	A256-R260 WeakPolarHBondContact O-CG 3.31Å; A256-R260 PolarHBondContact O-N 3.2Å; I257-R260 PolarHBondContact O-N 3.18Å; R260-L262 PolarHBondContact O-N 3.3Å; R260-I263 HydrophobicContact CB-CD1 4.1Å; R260-I263 HydrophobicContact CG-CD1 4.27Å; R260-I263 WeakPolarHBondContact O-CB 3.33Å; R260-I263 WeakPolarHBondContact O-CD1 3.36Å; R260-I263 WeakPolarHBondContact O-CG1 3.25Å; R260-I263 PolarHBondContact O-N 3.09Å; R260-I263 VanDerWaalsContact O-N 3.16Å; R260-L282 HydrophobicContact CG-CD1 4.12Å; R260-L282 PolarHBondContact NH1-O 2.94Å; R260-D284 IonicContact CZ-OD1 3.03Å; R260-D284 IonicContact NH1-OD1 3.03Å; R260-D284 PolarHBondContact NH1-OD1 3.13Å; R260-D284 IonicContact NH1-OD2 3.31Å; R260-D284 PolarHBondContact NH1-OD2 3.31Å; R260-D284 IonicContact NH2-OD1 3.77Å; R260-D284 PolarHBondContact NH2-OD1 2.88Å; R260-D284 VanDerWaalsContact NH2-OD1 3.14Å; R260-D284 IonicContact NH2-OD2 3.6Å
261	S	92.6	Very high	93.8	Very high	68 Å²	68	35 Å²	35	48%	0.476	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-14.2	175.5	80.5	0	0	0	0	113.6	I257 T258 I259 I263	I257-S261 PolarHBondContact O-N 3.32Å; T258-S261 WeakPolarHBondContact O-CB 3.4Å; T258-S261 PolarHBondContact O-N 3.32Å; T258-S261 PolarHBondContact O-OG 3.4Å; I259-S261 PolarHBondContact O-N 2.89Å; S261-I263 VanDerWaalsContact C-N 3.34Å
262	L	93.5	Very high	93.9	Very high	12 Å²	12	34.1 Å²	34.1	6%	0.063	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-12.9	175.6	-60.7	176.6	0	0	0	113.7	C231 F238 F240 I259 R260 N264 R267 I269	C231-L262 HydrophobicContact CB-CD1 4.36Å; C231-L262 HydrophobicContact CB-CD2 4.17Å; F238-L262 HydrophobicContact CD1-CD1 3.86Å; F238-L262 HydrophobicContact CE1-CD1 4.16Å; F238-L262 HydrophobicContact CG-CD1 4.09Å; F240-L262 HydrophobicContact CE2-CD1 4.06Å; F240-L262 HydrophobicContact CZ-CD1 3.88Å; I259-L262 WeakPolarHBondContact O-CB 3.28Å; I259-L262 PolarHBondContact O-N 3.16Å; I259-L262 VanDerWaalsContact O-N 3.09Å; R260-L262 PolarHBondContact O-N 3.3Å; L262-N264 PolarHBondContact O-N 2.95Å; L262-R267 VanDerWaalsContact O-CD 3.23Å; L262-R267 WeakPolarHBondContact O-CD 3.44Å; L262-R267 PolarHBondContact O-NH1 3.48Å; L262-I269 HydrophobicContact CB-CD1 3.86Å
263	I	94.2	Very high	93.9	Very high	47 Å²	47	33.6 Å²	33.6	24%	0.241	18%	0.177	C	C	.	.			trans	-56.9	119.9	-177	-67.1	167.4	0	0	0	109.4	G103 V105 R260 S261 I269	G103-I263 VanDerWaalsContact O-CG2 3.25Å; G103-I263 WeakPolarHBondContact O-CG2 3.17Å; V105-I263 HydrophobicContact CG2-CD1 3.76Å; V105-I263 HydrophobicContact CG2-CG1 3.83Å; R260-I263 HydrophobicContact CB-CD1 4.1Å; R260-I263 HydrophobicContact CG-CD1 4.27Å; R260-I263 WeakPolarHBondContact O-CB 3.33Å; R260-I263 WeakPolarHBondContact O-CD1 3.36Å; R260-I263 WeakPolarHBondContact O-CG1 3.25Å; R260-I263 PolarHBondContact O-N 3.09Å; R260-I263 VanDerWaalsContact O-N 3.16Å; S261-I263 VanDerWaalsContact C-N 3.34Å; I263-I269 HydrophobicContact CB-CD1 4.41Å; I263-I269 HydrophobicContact CG1-CD1 3.77Å
264	N	93.1	Very high	93.9	Very high	70 Å²	70	33 Å²	33	37%	0.374	17%	0.174	S	C	.	.			trans	-138.2	153.9	168.2	-81.2	-24.6	0	0	0	109.1	G103 L262 D266 R267	G103-N264 WeakPolarHBondContact CA-O 3.19Å; G103-N264 PolarHBondContact N-O 3.25Å; L262-N264 PolarHBondContact O-N 2.95Å; N264-D266 PolarHBondContact O-N 2.96Å; N264-R267 HydrophobicContact CB-CB 4.32Å; N264-R267 HydrophobicContact CB-CG 4.02Å; N264-R267 PolarHBondContact ND2-NE 2.83Å; N264-R267 PolarHBondContact ND2-NH1 2.94Å; N264-R267 VanDerWaalsContact ND2-NH1 3.15Å; N264-R267 PolarHBondContact O-N 3.34Å
265	P	91.9	Very high	93.8	Very high	99 Å²	99	30.6 Å²	30.6	64%	0.643	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-22.9	-179.2	-27.1	35.3	0	0	0	115.6	P102	P102-P265 VanDerWaalsContact CB-O 3.31Å; P102-P265 WeakPolarHBondContact CB-O 3.32Å
266	D	91.1	Very high	93.7	Very high	132 Å²	132	30.8 Å²	30.8	71%	0.706	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.1	0.4	-178.5	-54.5	-51	0	0	0	113.7	N264	N264-D266 PolarHBondContact O-N 2.96Å
267	R	94.3	Very high	93.5	Very high	52 Å²	52	30.9 Å²	30.9	20%	0.196	17%	0.165	C	C	.	.			trans	-105.7	140.7	-174.9	-70.7	178.2	-179.1	164.5	0.8	112.2	P102 G103 D236 F238 L262 N264	P102-R267 CarbonylContact C-O 3.53Å; P102-R267 WeakPolarHBondContact CA-O 3.46Å; G103-R267 PolarHBondContact N-O 3.43Å; D236-R267 CarbonylContact O-C 3.49Å; D236-R267 WeakPolarHBondContact O-CA 3.29Å; F238-R267 HydrophobicContact CE2-CG 4.35Å; L262-R267 VanDerWaalsContact O-CD 3.23Å; L262-R267 WeakPolarHBondContact O-CD 3.44Å; L262-R267 PolarHBondContact O-NH1 3.48Å; N264-R267 HydrophobicContact CB-CB 4.32Å; N264-R267 HydrophobicContact CB-CG 4.02Å; N264-R267 PolarHBondContact ND2-NE 2.83Å; N264-R267 PolarHBondContact ND2-NH1 2.94Å; N264-R267 VanDerWaalsContact ND2-NH1 3.15Å; N264-R267 PolarHBondContact O-N 3.34Å
268	Y	95.7	Very high	93.5	Very high	13 Å²	13	28 Å²	28	5%	0.051	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	128.7	171.8	-57.5	-91.2	0	0	0	109.7	P100 P102 Y155 L164 D236 I237 F238	P100-Y268 HydrophobicContact CB-CD1 3.96Å; P100-Y268 HydrophobicContact CG-CD1 4.3Å; P102-Y268 HydrophobicContact CB-CD1 4.25Å; P102-Y268 HydrophobicContact CB-CE1 3.84Å; P102-Y268 HydrophobicContact CB-CE2 4.38Å; P102-Y268 HydrophobicContact CG-CE1 4.19Å; Y155-Y268 HydrophobicContact CD2-CD1 4.01Å; Y155-Y268 HydrophobicContact CD2-CD2 4.46Å; Y155-Y268 AromaticContact CD2-CE1 3.76Å; Y155-Y268 HydrophobicContact CD2-CE1 3.76Å; Y155-Y268 HydrophobicContact CD2-CE2 4.25Å; Y155-Y268 HydrophobicContact CD2-CG 4.34Å; Y155-Y268 AromaticContact CD2-CZ 3.9Å; Y155-Y268 AromaticContact CE2-CD1 3.87Å; Y155-Y268 HydrophobicContact CE2-CD1 3.87Å; Y155-Y268 AromaticContact CE2-CD2 3.99Å; Y155-Y268 HydrophobicContact CE2-CD2 3.99Å; Y155-Y268 HydrophobicContact CE2-CE1 4.08Å; Y155-Y268 HydrophobicContact CE2-CE2 4.21Å; Y155-Y268 AromaticContact CE2-CG 3.81Å; Y155-Y268 HydrophobicContact CE2-CG 3.81Å; L164-Y268 HydrophobicContact CD1-CE2 4.21Å; D236-Y268 PolarHBondContact O-N 3.28Å; I237-Y268 WeakPolarHBondContact CA-O 3.36Å; I237-Y268 HydrophobicContact CG1-CD2 3.93Å; I237-Y268 HydrophobicContact CG1-CG 4.4Å; F238-Y268 PolarHBondContact N-O 3.24Å
269	I	97	Very high	93.4	Very high	1 Å²	1	28 Å²	28	1%	0.005	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	121.3	177.5	-54.6	176.8	0	0	0	109	V105 L106 F238 I259 L262 I263 V271	V105-I269 HydrophobicContact CG1-CG2 4.09Å; V105-I269 HydrophobicContact CG2-CB 4.16Å; V105-I269 HydrophobicContact CG2-CD1 4.27Å; V105-I269 HydrophobicContact CG2-CG2 4.13Å; L106-I269 PolarHBondContact N-O 2.79Å; F238-I269 HydrophobicContact CB-CG1 4.41Å; F238-I269 WeakPolarHBondContact O-CA 3.34Å; I259-I269 HydrophobicContact CG2-CG2 3.92Å; L262-I269 HydrophobicContact CB-CD1 3.86Å; I263-I269 HydrophobicContact CB-CD1 4.41Å; I263-I269 HydrophobicContact CG1-CD1 3.77Å; I269-V271 HydrophobicContact CG2-CG2 4.14Å
270	I	97.1	Very high	93.2	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	130.1	178.7	-48.3	-178.6	0	0	0	108.7	P100 L106 L108 L120 L123 F238 M239 F240	P100-I270 HydrophobicContact CB-CD1 3.86Å; P100-I270 HydrophobicContact CB-CG1 4.03Å; P100-I270 HydrophobicContact CG-CD1 4.11Å; L106-I270 CarbonylContact O-C 3.56Å; L106-I270 WeakPolarHBondContact O-CA 3.45Å; L108-I270 HydrophobicContact CD1-CG2 3.73Å; L108-I270 HydrophobicContact CG-CG2 3.94Å; L120-I270 HydrophobicContact CD2-CB 4.36Å; L120-I270 HydrophobicContact CD2-CG2 3.74Å; L123-I270 HydrophobicContact CB-CD1 4.31Å; L123-I270 HydrophobicContact CD1-CD1 3.55Å; F238-I270 PolarHBondContact O-N 3.2Å; M239-I270 CarbonylContact C-O 3.56Å; M239-I270 VanDerWaalsContact CA-O 3.29Å; M239-I270 WeakPolarHBondContact CA-O 3.43Å; M239-I270 HydrophobicContact CE-CD1 3.97Å; M239-I270 HydrophobicContact CG-CB 4.28Å; F240-I270 PolarHBondContact N-O 3.03Å
271	V	96.5	Very high	93.1	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	125.7	-179.9	-174.6	0	0	0	0	110.6	V105 L106 G107 L108 F240 P243 I259 I269 E273 L282	V105-V271 HydrophobicContact CG1-CG2 4Å; L106-V271 PolarHBondContact O-N 3.1Å; G107-V271 CarbonylContact C-O 3.58Å; G107-V271 WeakPolarHBondContact CA-O 3.3Å; L108-V271 PolarHBondContact N-O 3.47Å; F240-V271 HydrophobicContact CB-CG1 4.13Å; F240-V271 HydrophobicContact CB-CG2 4.21Å; F240-V271 HydrophobicContact CD2-CG2 4.2Å; F240-V271 WeakPolarHBondContact O-CA 3.29Å; P243-V271 HydrophobicContact CG-CG1 3.67Å; I259-V271 HydrophobicContact CG2-CG2 4.11Å; I269-V271 HydrophobicContact CG2-CG2 4.14Å; V271-E273 HydrophobicContact CG1-CG 3.84Å; V271-L282 HydrophobicContact CB-CD2 3.7Å; V271-L282 HydrophobicContact CG1-CD2 3.42Å; V271-L282 VanDerWaalsContact CG1-CD2 3.42Å; V271-L282 HydrophobicContact CG2-CD2 3.67Å; V271-L282 HydrophobicContact CG2-CG 4.44Å
272	V	95.1	Very high	93	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	119.9	166.8	175.9	0	0	0	0	107.9	L108 K116 L120 F240 E242 P243	L108-V272 HydrophobicContact CB-CG2 3.99Å; L108-V272 HydrophobicContact CD1-CG2 3.87Å; L108-V272 HydrophobicContact CG-CG2 4.36Å; K116-V272 HydrophobicContact CB-CG1 4.44Å; K116-V272 HydrophobicContact CB-CG2 4.3Å; K116-V272 HydrophobicContact CD-CG1 3.78Å; K116-V272 HydrophobicContact CG-CG1 4.49Å; L120-V272 HydrophobicContact CD1-CG2 3.71Å; L120-V272 HydrophobicContact CD2-CG2 4.28Å; L120-V272 HydrophobicContact CG-CG2 4.14Å; F240-V272 PolarHBondContact O-N 2.89Å; E242-V272 VanDerWaalsContact CA-O 3.28Å; E242-V272 WeakPolarHBondContact CA-O 3.45Å; E242-V272 HydrophobicContact CG-CG1 4.49Å; E242-V272 PolarHBondContact N-O 2.9Å; P243-V272 WeakPolarHBondContact CD-O 3.45Å
273	E	92.9	Very high	93	Very high	2 Å²	2	22.7 Å²	22.7	1%	0.009	12%	0.12	C	C	.	.			trans	-136.1	149.9	178.4	-95.8	-60.6	161.1	0	0	112.1	L108 P243 S244 V271 D275 L279	L108-E273 PolarHBondContact O-N 2.93Å; P243-E273 WeakPolarHBondContact CD-OE1 3.41Å; P243-E273 HydrophobicContact CG-CG 4.14Å; P243-E273 WeakPolarHBondContact CG-OE1 3.38Å; S244-E273 WeakPolarHBondContact CA-OE1 3.45Å; S244-E273 WeakPolarHBondContact CB-OE1 3.46Å; S244-E273 WeakPolarHBondContact CB-OE2 3.33Å; S244-E273 PolarHBondContact N-OE1 3.2Å; S244-E273 PolarHBondContact OG-OE1 2.89Å; S244-E273 PolarHBondContact OG-OE2 3.24Å; V271-E273 HydrophobicContact CG1-CG 3.84Å; E273-D275 PolarHBondContact OE2-N 3.22Å; E273-L279 HydrophobicContact CB-CB 4.11Å; E273-L279 HydrophobicContact CB-CD1 4.02Å
274	H	90.4	Very high	93.1	Very high	2 Å²	2	22.2 Å²	22.2	1%	0.009	12%	0.118	C	C	.	.	S	Bend	trans	-112.7	-24	178.6	-76.8	-56.5	0	0	0	112.9	G110 N112 K116 E242 L276 D493 S494	G110-H274 PolarHBondContact O-CE1 2.83Å; N112-H274 PolarHBondContact OD1-NE2 3.33Å; K116-H274 PolarHBondContact NZ-CE1 2.7Å; K116-H274 PolarHBondContact NZ-NE2 3.36Å; E242-H274 IonicContact OE1-CD2 2.7Å; E242-H274 PolarHBondContact OE1-CD2 3.29Å; E242-H274 IonicContact OE1-NE2 3.21Å; E242-H274 PolarHBondContact OE1-NE2 3.24Å; H274-L276 PolarHBondContact O-N 3.36Å; H274-D493 WeakPolarHBondContact CE1-CB 3.32Å; H274-D493 WeakPolarHBondContact ND1-CA 3.48Å; H274-S494 PolarHBondContact ND1-N 3.47Å; H274-S494 WeakPolarHBondContact O-CB 3.42Å
275	D	91.3	Very high	93.2	Very high	2 Å²	2	21.6 Å²	21.6	1%	0.011	11%	0.112	C	C	.	.			trans	-77.9	107.9	168.9	-175.8	-31.6	0	0	0	108.8	R252 E273 S277 V278 L279	R252-D275 IonicContact CZ-OD2 3.65Å; R252-D275 IonicContact NH1-OD2 2.83Å; R252-D275 PolarHBondContact NH1-OD2 2.88Å; E273-D275 PolarHBondContact OE2-N 3.22Å; D275-S277 PolarHBondContact O-N 3.36Å; D275-S277 WeakPolarHBondContact OD1-CA 3.46Å; D275-S277 VanDerWaalsContact OD1-CB 3.32Å; D275-S277 WeakPolarHBondContact OD1-CB 3.41Å; D275-S277 PolarHBondContact OD1-N 2.97Å; D275-V278 HydrophobicContact CB-CB 4.03Å; D275-V278 HydrophobicContact CB-CG2 3.99Å; D275-V278 VanDerWaalsContact CG-CG2 3.49Å; D275-V278 PolarHBondContact O-N 3.15Å; D275-V278 PolarHBondContact OD1-N 3.26Å; D275-V278 WeakPolarHBondContact OD2-CG2 3.32Å; D275-L279 VanDerWaalsContact O-CB 3.31Å; D275-L279 WeakPolarHBondContact O-CB 3.31Å; D275-L279 PolarHBondContact O-N 3.1Å
276	L	91.2	Very high	93.4	Very high	6 Å²	6	16.9 Å²	16.9	3%	0.031	8%	0.082	C	C	.	.	H	α-helix	trans	-68.1	-25.3	-177.1	-50.3	175.1	0	0	0	112.2	V109 H274 L279 D280 I309 F312 L313 I523	V109-L276 HydrophobicContact CG2-CD2 3.72Å; H274-L276 PolarHBondContact O-N 3.36Å; L276-L279 HydrophobicContact CD2-CD2 4.4Å; L276-D280 WeakPolarHBondContact O-CB 3.36Å; L276-D280 PolarHBondContact O-N 3.19Å; L276-I309 HydrophobicContact CB-CG2 4.1Å; L276-I309 HydrophobicContact CD1-CG2 3.91Å; L276-I309 HydrophobicContact CD2-CG2 4.23Å; L276-I309 HydrophobicContact CG-CG2 4.31Å; L276-F312 HydrophobicContact CD2-CD1 4.32Å; L276-F312 HydrophobicContact CD2-CE1 4.47Å; L276-L313 HydrophobicContact CD1-CD2 3.81Å; L276-L313 HydrophobicContact CD1-CG 4.34Å; L276-I523 HydrophobicContact CB-CD1 3.6Å; L276-I523 HydrophobicContact CD1-CD1 4.07Å; L276-I523 HydrophobicContact CG-CD1 4.19Å
277	S	89.7	Confident	93.7	Very high	5 Å²	5	10.6 Å²	10.6	4%	0.035	5%	0.048	C	C	.	.	H	α-helix	trans	-71.8	-44.1	176.1	-61.2	0	0	0	0	110.8	D275 D280 Y281 I577	D275-S277 PolarHBondContact O-N 3.36Å; D275-S277 WeakPolarHBondContact OD1-CA 3.46Å; D275-S277 VanDerWaalsContact OD1-CB 3.32Å; D275-S277 WeakPolarHBondContact OD1-CB 3.41Å; D275-S277 PolarHBondContact OD1-N 2.97Å; S277-D280 PolarHBondContact O-N 3.18Å; S277-Y281 PolarHBondContact O-N 3.38Å; S277-I577 VanDerWaalsContact O-CG2 3.3Å; S277-I577 WeakPolarHBondContact O-CG2 3.44Å
278	V	91.8	Very high	93.6	Very high	9 Å²	9	8.2 Å²	8.2	6%	0.055	4%	0.039	C	C	.	.	H	α-helix	trans	-65.9	-41.1	174.3	177.7	0	0	0	0	110.7	R252 A256 D275 D280 Y281 L282	R252-V278 HydrophobicContact CB-CG2 3.8Å; R252-V278 HydrophobicContact CG-CG2 4.27Å; A256-V278 HydrophobicContact CB-CG1 4.36Å; D275-V278 HydrophobicContact CB-CB 4.03Å; D275-V278 HydrophobicContact CB-CG2 3.99Å; D275-V278 VanDerWaalsContact CG-CG2 3.49Å; D275-V278 PolarHBondContact O-N 3.15Å; D275-V278 PolarHBondContact OD1-N 3.26Å; D275-V278 WeakPolarHBondContact OD2-CG2 3.32Å; V278-D280 PolarHBondContact O-N 2.93Å; V278-Y281 PolarHBondContact O-N 3.39Å; V278-L282 WeakPolarHBondContact O-CB 3.23Å; V278-L282 PolarHBondContact O-N 3.28Å
279	L	93.3	Very high	93.5	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-60.1	-42.8	175.5	-176.8	66.1	0	0	0	111.9	V109 E273 D275 L276 Y281 L282 S283 I286	V109-L279 HydrophobicContact CB-CD2 3.86Å; V109-L279 HydrophobicContact CG2-CD2 4.32Å; E273-L279 HydrophobicContact CB-CB 4.11Å; E273-L279 HydrophobicContact CB-CD1 4.02Å; D275-L279 VanDerWaalsContact O-CB 3.31Å; D275-L279 WeakPolarHBondContact O-CB 3.31Å; D275-L279 PolarHBondContact O-N 3.1Å; L276-L279 HydrophobicContact CD2-CD2 4.4Å; L279-Y281 VanDerWaalsContact C-N 3.3Å; L279-Y281 PolarHBondContact O-N 3.42Å; L279-L282 PolarHBondContact O-N 2.86Å; L279-S283 WeakPolarHBondContact O-CB 3.34Å; L279-S283 PolarHBondContact O-N 2.77Å; L279-S283 PolarHBondContact O-OG 3.49Å; L279-I286 HydrophobicContact CD2-CD1 3.87Å; L279-I286 HydrophobicContact CD2-CG1 4.45Å; L279-I286 HydrophobicContact CG-CD1 3.86Å; L279-I286 HydrophobicContact CG-CG1 4.38Å
280	D	91.4	Very high	93.2	Very high	9 Å²	9	8 Å²	8	5%	0.048	4%	0.039	C	C	.	.	H	α-helix	trans	-62.5	-35.8	177.4	-166.6	68.5	0	0	0	112	L276 S277 V278 V305 I309 R574 R576	L276-D280 WeakPolarHBondContact O-CB 3.36Å; L276-D280 PolarHBondContact O-N 3.19Å; S277-D280 PolarHBondContact O-N 3.18Å; V278-D280 PolarHBondContact O-N 2.93Å; D280-V305 HydrophobicContact CB-CG1 4.14Å; D280-V305 WeakPolarHBondContact OD1-CG1 3.46Å; D280-I309 HydrophobicContact CB-CD1 3.77Å; D280-R574 IonicContact OD1-NH2 2.69Å; D280-R576 IonicContact OD1-CZ 3.52Å; D280-R576 IonicContact OD1-NE 3.83Å; D280-R576 PolarHBondContact OD1-NE 3.4Å; D280-R576 IonicContact OD1-NH2 3.93Å; D280-R576 PolarHBondContact OD1-NH2 3.27Å; D280-R576 IonicContact OD2-CZ 3.13Å; D280-R576 IonicContact OD2-NE 3.32Å; D280-R576 PolarHBondContact OD2-NE 2.77Å; D280-R576 IonicContact OD2-NH2 3.94Å; D280-R576 PolarHBondContact OD2-NH2 3.23Å
281	Y	90.5	Very high	92.8	Very high	26 Å²	26	9 Å²	9	10%	0.102	5%	0.049	C	C	.	.	H	α-helix	trans	-74	-41.9	176.8	-172.9	-98.9	0	0	0	113	L253 A256 I257 S277 V278 L279 I577	L253-Y281 HydrophobicContact CD2-CD1 4.29Å; L253-Y281 HydrophobicContact CD2-CG 4.31Å; A256-Y281 HydrophobicContact CB-CD1 3.71Å; A256-Y281 HydrophobicContact CB-CE1 4.09Å; I257-Y281 HydrophobicContact CG1-CE1 3.94Å; I257-Y281 WeakPolarHBondContact CG1-OH 3.46Å; S277-Y281 PolarHBondContact O-N 3.38Å; V278-Y281 PolarHBondContact O-N 3.39Å; L279-Y281 VanDerWaalsContact C-N 3.3Å; L279-Y281 PolarHBondContact O-N 3.42Å; Y281-I577 HydrophobicContact CD2-CD1 3.98Å; Y281-I577 HydrophobicContact CD2-CG1 4.18Å; Y281-I577 HydrophobicContact CD2-CG2 4.15Å; Y281-I577 HydrophobicContact CG-CD1 4.43Å; Y281-I577 HydrophobicContact CG-CG2 4.36Å
282	L	91.6	Very high	92.2	Very high	1 Å²	1	11.9 Å²	11.9	1%	0.005	7%	0.067	C	C	.	.	H	α-helix	trans	-79.1	-46.7	-169.4	-177.4	73.2	0	0	0	112.7	V105 A256 I259 R260 V271 V278 L279	V105-L282 HydrophobicContact CG1-CG 4.22Å; A256-L282 HydrophobicContact CB-CB 4.37Å; A256-L282 HydrophobicContact CB-CD1 3.8Å; A256-L282 WeakPolarHBondContact O-CD1 3.34Å; I259-L282 HydrophobicContact CB-CD1 3.77Å; I259-L282 HydrophobicContact CD1-CD1 4.35Å; I259-L282 HydrophobicContact CG2-CD1 3.8Å; R260-L282 HydrophobicContact CG-CD1 4.12Å; R260-L282 PolarHBondContact NH1-O 2.94Å; V271-L282 HydrophobicContact CB-CD2 3.7Å; V271-L282 HydrophobicContact CG1-CD2 3.42Å; V271-L282 VanDerWaalsContact CG1-CD2 3.42Å; V271-L282 HydrophobicContact CG2-CD2 3.67Å; V271-L282 HydrophobicContact CG2-CG 4.44Å; V278-L282 WeakPolarHBondContact O-CB 3.23Å; V278-L282 PolarHBondContact O-N 3.28Å; L279-L282 PolarHBondContact O-N 2.86Å
283	S	94.1	Very high	91.7	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	9%	0.088	C	C	.	.			trans	-84.5	157.7	-169.2	63.3	0	0	0	0	113.5	L279 I286 V305	L279-S283 WeakPolarHBondContact O-CB 3.34Å; L279-S283 PolarHBondContact O-N 2.77Å; L279-S283 PolarHBondContact O-OG 3.49Å; S283-I286 WeakPolarHBondContact OG-CG1 3.37Å; S283-V305 VanDerWaalsContact O-CG2 3.27Å; S283-V305 WeakPolarHBondContact O-CG2 3.06Å
284	D	94.7	Very high	91.1	Very high	38 Å²	38	18.6 Å²	18.6	20%	0.203	11%	0.112	C	C	.	.	S	Bend	trans	-108.9	-31	169.2	-54.3	-61.2	0	0	0	110.7	V105 R260 V305 K579	V105-D284 PolarHBondContact N-OD2 3.47Å; V105-D284 PolarHBondContact O-N 2.94Å; R260-D284 IonicContact CZ-OD1 3.03Å; R260-D284 IonicContact NH1-OD1 3.03Å; R260-D284 PolarHBondContact NH1-OD1 3.13Å; R260-D284 IonicContact NH1-OD2 3.31Å; R260-D284 PolarHBondContact NH1-OD2 3.31Å; R260-D284 IonicContact NH2-OD1 3.77Å; R260-D284 PolarHBondContact NH2-OD1 2.88Å; R260-D284 VanDerWaalsContact NH2-OD1 3.14Å; R260-D284 IonicContact NH2-OD2 3.6Å; D284-V305 VanDerWaalsContact C-CG2 3.46Å; D284-V305 WeakPolarHBondContact O-CG2 3.28Å; D284-K579 IonicContact OD1-NZ 3.45Å
285	F	96.4	Very high	90.8	Very high	57 Å²	57	18.5 Å²	18.5	25%	0.25	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	154.6	171.1	-68.1	-84.7	0	0	0	111.3	E104 V105 L106 G107 P302 F303	E104-F285 VanDerWaalsContact CD-CE2 3.47Å; E104-F285 WeakPolarHBondContact OE2-CD2 3.47Å; E104-F285 WeakPolarHBondContact OE2-CE2 3.4Å; V105-F285 PolarHBondContact O-N 3.41Å; L106-F285 HydrophobicContact CD1-CB 4.01Å; G107-F285 PolarHBondContact N-O 2.79Å; F285-P302 HydrophobicContact CB-CB 4.21Å; F285-F303 CarbonylContact C-O 3.48Å; F285-F303 VanDerWaalsContact CA-O 3.31Å; F285-F303 WeakPolarHBondContact CA-O 3.31Å; F285-F303 WeakPolarHBondContact CD1-O 3.16Å
286	I	96.3	Very high	90.8	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	128.8	178.9	-67.7	175.2	0	0	0	110.8	G107 V109 L279 S283 F303 V305 I309	G107-I286 CarbonylContact O-C 3.59Å; G107-I286 VanDerWaalsContact O-CA 3.27Å; G107-I286 WeakPolarHBondContact O-CA 3.4Å; V109-I286 HydrophobicContact CG1-CG2 3.77Å; L279-I286 HydrophobicContact CD2-CD1 3.87Å; L279-I286 HydrophobicContact CD2-CG1 4.45Å; L279-I286 HydrophobicContact CG-CD1 3.86Å; L279-I286 HydrophobicContact CG-CG1 4.38Å; S283-I286 WeakPolarHBondContact OG-CG1 3.37Å; I286-F303 PolarHBondContact N-O 2.96Å; I286-F303 PolarHBondContact O-N 3.21Å; I286-V305 HydrophobicContact CD1-CB 4.28Å; I286-V305 HydrophobicContact CD1-CG1 3.74Å; I286-I309 HydrophobicContact CD1-CD1 3.74Å; I286-I309 HydrophobicContact CD1-CG1 3.31Å
287	C	95.7	Very high	90.8	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	128.9	161.6	-75.2	0	0	0	0	109.3	G107 L108 V109 V299 T300	G107-C287 PolarHBondContact O-N 3.07Å; L108-C287 HydrophobicContact CD2-CB 3.71Å; V109-C287 PolarHBondContact N-O 3.39Å; V109-C287 VanDerWaalsContact N-O 3.1Å; C287-V299 HydrophobicContact CB-CG1 3.94Å; C287-T300 PolarHBondContact SG-O 2.97Å
288	C	93.9	Very high	90.9	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.007	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	138.8	170.3	-61.5	0	0	0	0	108.9	V109 T300 G308	V109-C288 HydrophobicContact CG1-CB 4.39Å; V109-C288 CarbonylContact O-C 3.55Å; V109-C288 WeakPolarHBondContact O-CA 3.32Å; C288-T300 HydrophobicContact CB-CG2 3.94Å; C288-T300 PolarHBondContact N-OG1 3.25Å; C288-T300 WeakPolarHBondContact O-CG2 3.31Å; C288-T300 PolarHBondContact O-N 3.49Å; C288-T300 PolarHBondContact O-OG1 3.49Å; C288-G308 PolarHBondContact SG-O 2.81Å
289	L	93.5	Very high	91	Very high	3 Å²	3	19 Å²	19	2%	0.016	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	121	171.6	-67.2	84.8	0	0	0	109	L108 V109 G110 I114 K116 V298 V299	L108-L289 HydrophobicContact CB-CD1 4.04Å; L108-L289 HydrophobicContact CD2-CD1 4.35Å; V109-L289 PolarHBondContact O-N 3.12Å; G110-L289 WeakPolarHBondContact CA-O 3.4Å; I114-L289 HydrophobicContact CD1-CB 3.25Å; I114-L289 HydrophobicContact CD1-CD2 3.38Å; I114-L289 HydrophobicContact CD1-CG 3.93Å; I114-L289 HydrophobicContact CG1-CB 3.99Å; K116-L289 HydrophobicContact CG-CD1 4.46Å; K116-L289 HydrophobicContact CG-CD2 3.9Å; L289-V298 WeakPolarHBondContact CA-O 3.48Å; L289-V299 HydrophobicContact CD1-CG1 4.41Å; L289-V299 HydrophobicContact CD2-CG2 3.82Å; L289-V299 HydrophobicContact CG-CB 4.42Å; L289-V299 HydrophobicContact CG-CG1 4.21Å; L289-V299 HydrophobicContact CG-CG2 3.97Å
290	Y	90.8	Very high	90.9	Very high	7 Å²	7	19.1 Å²	19.1	3%	0.027	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	163.3	-179	69	-95.1	0	0	0	110.8	G297 V298 T300 V317 E320 L322 F324	Y290-G297 CarbonylContact O-C 3.58Å; Y290-G297 WeakPolarHBondContact O-CA 3.33Å; Y290-V298 HydrophobicContact CD1-CB 4.4Å; Y290-V298 HydrophobicContact CD2-CB 4.28Å; Y290-V298 HydrophobicContact CD2-CG2 4.47Å; Y290-V298 HydrophobicContact CE1-CB 3.94Å; Y290-V298 HydrophobicContact CE1-CG1 4.03Å; Y290-V298 HydrophobicContact CE2-CB 3.77Å; Y290-V298 HydrophobicContact CE2-CG1 4.34Å; Y290-V298 HydrophobicContact CE2-CG2 3.86Å; Y290-V298 PolarHBondContact N-O 3.39Å; Y290-V298 VanDerWaalsContact N-O 3.07Å; Y290-V298 PolarHBondContact O-N 3.15Å; Y290-T300 HydrophobicContact CD1-CG2 3.87Å; Y290-T300 HydrophobicContact CE1-CG2 3.74Å; Y290-V317 HydrophobicContact CD1-CG2 4.3Å; Y290-V317 HydrophobicContact CE1-CG2 4.16Å; Y290-E320 PolarHBondContact OH-OE2 3.4Å; Y290-L322 HydrophobicContact CD2-CD2 3.98Å; Y290-L322 HydrophobicContact CE1-CD2 4.44Å; Y290-L322 HydrophobicContact CE2-CD1 4.14Å; Y290-L322 HydrophobicContact CE2-CD2 3.44Å; Y290-L322 VanDerWaalsContact CE2-CD2 3.44Å; Y290-L322 HydrophobicContact CE2-CG 4.46Å; Y290-F324 HydrophobicContact CD1-CD1 4.32Å; Y290-F324 HydrophobicContact CD2-CB 3.76Å; Y290-F324 HydrophobicContact CD2-CG 4.31Å; Y290-F324 HydrophobicContact CG-CB 3.95Å; Y290-F324 HydrophobicContact CG-CD1 4.01Å; Y290-F324 AromaticContact CG-CG 3.97Å; Y290-F324 HydrophobicContact CG-CG 3.97Å
291	G	88	Confident	90.9	Very high	22 Å²	22	23.4 Å²	23.4	23%	0.227	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	145.4	-160.4	179.9	0	0	0	0	0	111.3	Y296	G291-Y296 WeakPolarHBondContact CA-O 3.46Å
292	V	84.6	Confident	91.1	Very high	60 Å²	60	23.6 Å²	23.6	36%	0.364	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	122.9	178.4	174.8	0	0	0	0	108.3	V73 S294 A295 Y296	V73-V292 HydrophobicContact CG1-CG2 4.47Å; V292-S294 PolarHBondContact O-N 3.21Å; V292-A295 HydrophobicContact CB-CB 3.72Å; V292-A295 HydrophobicContact CG1-CB 3.66Å; V292-A295 WeakPolarHBondContact O-CA 3.4Å; V292-A295 VanDerWaalsContact O-CB 3.31Å; V292-A295 WeakPolarHBondContact O-CB 3.26Å; V292-A295 PolarHBondContact O-N 3.1Å; V292-Y296 HydrophobicContact CB-CD1 4.19Å; V292-Y296 HydrophobicContact CB-CE1 3.94Å; V292-Y296 HydrophobicContact CG2-CE1 3.79Å; V292-Y296 PolarHBondContact N-O 3.49Å; V292-Y296 PolarHBondContact O-N 2.89Å; V292-Y296 VanDerWaalsContact O-O 3.05Å
293	P	83.4	Confident	91.2	Very high	69 Å²	69	24.6 Å²	24.6	45%	0.448	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.4	136.6	179.9	-29.3	35.9	0	0	0	112.4	I114 A295	I114-P293 HydrophobicContact CG2-CG 4.44Å; P293-A295 PolarHBondContact O-N 2.89Å
294	S	81.3	Confident	91.2	Very high	73 Å²	73	26.7 Å²	26.7	51%	0.51	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.3	0.4	-175.8	-48.9	0	0	0	0	115.8	G113 V292	G113-S294 PolarHBondContact O-N 3.2Å; V292-S294 PolarHBondContact O-N 3.21Å
295	A	84.1	Confident	91.1	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.008	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.2	-62.9	-178.8	0	0	0	0	0	112.2	I10 V73 F92 K93 V292 P293	I10-A295 HydrophobicContact CD1-CB 3.21Å; I10-A295 HydrophobicContact CG1-CB 4.13Å; V73-A295 HydrophobicContact CG2-CB 4.16Å; F92-A295 VanDerWaalsContact CA-O 3.32Å; F92-A295 WeakPolarHBondContact CA-O 3.49Å; K93-A295 PolarHBondContact N-O 3.14Å; K93-A295 VanDerWaalsContact N-O 3.13Å; V292-A295 HydrophobicContact CB-CB 3.72Å; V292-A295 HydrophobicContact CG1-CB 3.66Å; V292-A295 WeakPolarHBondContact O-CA 3.4Å; V292-A295 VanDerWaalsContact O-CB 3.31Å; V292-A295 WeakPolarHBondContact O-CB 3.26Å; V292-A295 PolarHBondContact O-N 3.1Å; P293-A295 PolarHBondContact O-N 2.89Å
296	Y	89.9	Confident	90.8	Very high	30 Å²	30	27.7 Å²	27.7	12%	0.118	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	157.2	174.7	74.6	-75.7	0	0	0	110.8	I8 V73 L75 K93 G291 V292 V298	I8-Y296 HydrophobicContact CD1-CD1 4.22Å; I8-Y296 HydrophobicContact CD1-CG 4.01Å; V73-Y296 HydrophobicContact CG1-CD1 4.27Å; V73-Y296 HydrophobicContact CG1-CE1 3.73Å; L75-Y296 HydrophobicContact CD2-CD1 3.99Å; L75-Y296 HydrophobicContact CD2-CD2 3.67Å; L75-Y296 HydrophobicContact CD2-CE1 4.01Å; L75-Y296 HydrophobicContact CD2-CE2 3.67Å; L75-Y296 HydrophobicContact CD2-CG 3.83Å; K93-Y296 CarbonylContact O-C 3.6Å; K93-Y296 WeakPolarHBondContact O-CA 3.44Å; K93-Y296 WeakPolarHBondContact O-CB 3.44Å; G291-Y296 WeakPolarHBondContact CA-O 3.46Å; V292-Y296 HydrophobicContact CB-CD1 4.19Å; V292-Y296 HydrophobicContact CB-CE1 3.94Å; V292-Y296 HydrophobicContact CG2-CE1 3.79Å; V292-Y296 PolarHBondContact N-O 3.49Å; V292-Y296 PolarHBondContact O-N 2.89Å; V292-Y296 VanDerWaalsContact O-O 3.05Å; Y296-V298 HydrophobicContact CD2-CG2 3.8Å; Y296-V298 HydrophobicContact CE2-CG2 3.72Å
297	G	91.9	Very high	90.6	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	143	171.1	0	0	0	0	0	110.3	K93 H95 I114 Y290	K93-G297 PolarHBondContact O-N 2.92Å; H95-G297 PolarHBondContact N-O 3Å; I114-G297 WeakPolarHBondContact O-CA 3.35Å; Y290-G297 CarbonylContact O-C 3.58Å; Y290-G297 WeakPolarHBondContact O-CA 3.33Å
298	V	91.8	Very high	90.4	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	131	176.1	-171.6	0	0	0	0	107.6	L79 H95 L289 Y290 Y296	L79-V298 HydrophobicContact CD1-CG2 3.91Å; L79-V298 HydrophobicContact CD2-CG1 3.73Å; L79-V298 HydrophobicContact CD2-CG2 3.96Å; H95-V298 HydrophobicContact CB-CB 4.4Å; H95-V298 HydrophobicContact CB-CG1 4.29Å; H95-V298 HydrophobicContact CB-CG2 4.07Å; H95-V298 WeakPolarHBondContact O-CA 3.43Å; L289-V298 WeakPolarHBondContact CA-O 3.48Å; Y290-V298 HydrophobicContact CD1-CB 4.4Å; Y290-V298 HydrophobicContact CD2-CB 4.28Å; Y290-V298 HydrophobicContact CD2-CG2 4.47Å; Y290-V298 HydrophobicContact CE1-CB 3.94Å; Y290-V298 HydrophobicContact CE1-CG1 4.03Å; Y290-V298 HydrophobicContact CE2-CB 3.77Å; Y290-V298 HydrophobicContact CE2-CG1 4.34Å; Y290-V298 HydrophobicContact CE2-CG2 3.86Å; Y290-V298 PolarHBondContact N-O 3.39Å; Y290-V298 VanDerWaalsContact N-O 3.07Å; Y290-V298 PolarHBondContact O-N 3.15Å; Y296-V298 HydrophobicContact CD2-CG2 3.8Å; Y296-V298 HydrophobicContact CE2-CG2 3.72Å
299	V	93.5	Very high	90.2	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.006	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	126.9	174.2	-168.1	0	0	0	0	109.4	L94 H95 R96 P98 C287 L289	L94-V299 HydrophobicContact CD1-CG2 4.24Å; H95-V299 PolarHBondContact O-N 3.11Å; H95-V299 VanDerWaalsContact O-N 3.09Å; R96-V299 HydrophobicContact CB-CB 4.26Å; R96-V299 WeakPolarHBondContact CD-O 3.49Å; P98-V299 HydrophobicContact CB-CG1 4.24Å; P98-V299 HydrophobicContact CG-CG1 3.93Å; C287-V299 HydrophobicContact CB-CG1 3.94Å; L289-V299 HydrophobicContact CD1-CG1 4.41Å; L289-V299 HydrophobicContact CD2-CG2 3.82Å; L289-V299 HydrophobicContact CG-CB 4.42Å; L289-V299 HydrophobicContact CG-CG1 4.21Å; L289-V299 HydrophobicContact CG-CG2 3.97Å
300	T	92.1	Very high	90	Very high	3 Å²	3	33.2 Å²	33.2	2%	0.018	18%	0.184	C	C	.	.	P	Polyproline II helix	trans	-72.7	162.4	173.6	67.7	0	0	0	0	111.4	C287 C288 Y290 F303 V317	C287-T300 PolarHBondContact SG-O 2.97Å; C288-T300 HydrophobicContact CB-CG2 3.94Å; C288-T300 PolarHBondContact N-OG1 3.25Å; C288-T300 WeakPolarHBondContact O-CG2 3.31Å; C288-T300 PolarHBondContact O-N 3.49Å; C288-T300 PolarHBondContact O-OG1 3.49Å; Y290-T300 HydrophobicContact CD1-CG2 3.87Å; Y290-T300 HydrophobicContact CE1-CG2 3.74Å; T300-F303 HydrophobicContact CG2-CE2 4.3Å; T300-V317 HydrophobicContact CG2-CG1 4.25Å; T300-V317 HydrophobicContact CG2-CG2 3.9Å
301	M	91.4	Very high	90	Very high	99 Å²	99	33.6 Å²	33.6	49%	0.488	19%	0.186	S	C	.	.	P	Polyproline II helix	trans	-56.7	152.9	160.7	-63	-58.7	-73.1	0	0	110.6	I99 F303	I99-M301 HydrophobicContact CD1-CE 3.73Å; I99-M301 HydrophobicContact CD1-SD 3.91Å; M301-F303 VanDerWaalsContact O-CD2 3.28Å; M301-F303 WeakPolarHBondContact O-CD2 3.4Å; M301-F303 WeakPolarHBondContact O-CE2 3.21Å; M301-F303 PolarHBondContact O-N 2.85Å
302	P	93.7	Very high	90.1	Very high	30 Å²	30	32.6 Å²	32.6	20%	0.195	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-66.8	131.9	176.9	26.5	-33.3	0	0	0	110.8	L106 F285	L106-P302 HydrophobicContact CD1-CB 4.25Å; F285-P302 HydrophobicContact CB-CB 4.21Å
303	F	94.9	Very high	90.2	Very high	22 Å²	22	29.8 Å²	29.8	10%	0.096	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	161.3	173.3	-63.4	-74.1	0	0	0	110.6	F285 I286 T300 M301 E307 I311 V317 T319	F285-F303 CarbonylContact C-O 3.48Å; F285-F303 VanDerWaalsContact CA-O 3.31Å; F285-F303 WeakPolarHBondContact CA-O 3.31Å; F285-F303 WeakPolarHBondContact CD1-O 3.16Å; I286-F303 PolarHBondContact N-O 2.96Å; I286-F303 PolarHBondContact O-N 3.21Å; T300-F303 HydrophobicContact CG2-CE2 4.3Å; M301-F303 VanDerWaalsContact O-CD2 3.28Å; M301-F303 WeakPolarHBondContact O-CD2 3.4Å; M301-F303 WeakPolarHBondContact O-CE2 3.21Å; M301-F303 PolarHBondContact O-N 2.85Å; F303-E307 HydrophobicContact CB-CB 4.28Å; F303-I311 HydrophobicContact CD1-CD1 3.79Å; F303-I311 HydrophobicContact CD2-CD1 3.85Å; F303-I311 HydrophobicContact CE1-CD1 3.8Å; F303-I311 HydrophobicContact CE2-CD1 3.84Å; F303-I311 HydrophobicContact CG-CD1 3.82Å; F303-I311 HydrophobicContact CZ-CD1 3.82Å; F303-V317 HydrophobicContact CZ-CG1 4.18Å; F303-T319 HydrophobicContact CE1-CG2 3.85Å; F303-T319 HydrophobicContact CZ-CG2 4.2Å
304	S	94.1	Very high	90.3	Very high	44 Å²	44	29.8 Å²	29.8	31%	0.308	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	150.8	166.3	71.8	0	0	0	0	110	R306 E307 G308	S304-R306 VanDerWaalsContact C-N 3.27Å; S304-R306 PolarHBondContact O-N 3.3Å; S304-R306 VanDerWaalsContact O-N 3.16Å; S304-E307 PolarHBondContact O-N 3.37Å; S304-E307 VanDerWaalsContact O-N 3.14Å; S304-E307 WeakPolarHBondContact OG-CB 3.15Å; S304-E307 VanDerWaalsContact OG-CG 3.28Å; S304-E307 WeakPolarHBondContact OG-CG 3.47Å; S304-E307 PolarHBondContact OG-OE2 2.98Å; S304-G308 PolarHBondContact O-N 2.72Å
305	V	91.9	Very high	90.6	Very high	19 Å²	19	26.3 Å²	26.3	12%	0.115	13%	0.13	C	C	.	.	H	α-helix	trans	-50.3	-46.5	-175.8	-173.5	0	0	0	0	112.8	D280 S283 D284 I286 I309	D280-V305 HydrophobicContact CB-CG1 4.14Å; D280-V305 WeakPolarHBondContact OD1-CG1 3.46Å; S283-V305 VanDerWaalsContact O-CG2 3.27Å; S283-V305 WeakPolarHBondContact O-CG2 3.06Å; D284-V305 VanDerWaalsContact C-CG2 3.46Å; D284-V305 WeakPolarHBondContact O-CG2 3.28Å; I286-V305 HydrophobicContact CD1-CB 4.28Å; I286-V305 HydrophobicContact CD1-CG1 3.74Å; V305-I309 HydrophobicContact CG1-CD1 4.08Å; V305-I309 WeakPolarHBondContact O-CG1 3.45Å; V305-I309 PolarHBondContact O-N 2.89Å
306	R	89.8	Confident	90.7	Very high	98 Å²	98	29.5 Å²	29.5	37%	0.37	14%	0.143	S	C	.	.	H	α-helix	trans	-62.6	-50.8	-178.6	-176	-177.7	-176.1	-158.2	-12.2	111.1	S304 N310 D569	S304-R306 VanDerWaalsContact C-N 3.27Å; S304-R306 PolarHBondContact O-N 3.3Å; S304-R306 VanDerWaalsContact O-N 3.16Å; R306-N310 WeakPolarHBondContact O-CB 3.39Å; R306-N310 VanDerWaalsContact O-CG 3.23Å; R306-N310 PolarHBondContact O-N 3Å; R306-N310 VanDerWaalsContact O-N 3.1Å; R306-D569 IonicContact CZ-OD2 2.68Å; R306-D569 IonicContact NE-OD2 3.65Å; R306-D569 PolarHBondContact NE-OD2 3.02Å; R306-D569 VanDerWaalsContact NE-OD2 3.08Å; R306-D569 IonicContact NH2-OD1 2.78Å; R306-D569 IonicContact NH2-OD2 3.65Å
307	E	91.4	Very high	90.6	Very high	108 Å²	108	28 Å²	28	51%	0.505	14%	0.137	S	C	.	.	H	α-helix	trans	-65.9	-45.7	-178.5	-69	167.5	157	0	0	111.2	F303 S304 I309 N310 I311	F303-E307 HydrophobicContact CB-CB 4.28Å; S304-E307 PolarHBondContact O-N 3.37Å; S304-E307 VanDerWaalsContact O-N 3.14Å; S304-E307 WeakPolarHBondContact OG-CB 3.15Å; S304-E307 VanDerWaalsContact OG-CG 3.28Å; S304-E307 WeakPolarHBondContact OG-CG 3.47Å; S304-E307 PolarHBondContact OG-OE2 2.98Å; E307-I309 PolarHBondContact O-N 2.65Å; E307-N310 PolarHBondContact O-N 2.64Å; E307-N310 VanDerWaalsContact O-N 3.14Å; E307-I311 WeakPolarHBondContact O-CB 3.49Å; E307-I311 VanDerWaalsContact O-CG1 3.26Å; E307-I311 WeakPolarHBondContact O-CG1 3.42Å; E307-I311 PolarHBondContact O-N 2.85Å
308	G	92	Very high	90.1	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-58.5	-48	-178.8	0	0	0	0	0	112.5	C288 S304 I311 F312	C288-G308 PolarHBondContact SG-O 2.81Å; S304-G308 PolarHBondContact O-N 2.72Å; G308-I311 PolarHBondContact O-N 3.16Å; G308-F312 WeakPolarHBondContact O-CB 3.35Å; G308-F312 PolarHBondContact O-N 3.12Å
309	I	90.9	Very high	89.6	Confident	0 Å²	0	36 Å²	36	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-69.6	-36	177.2	-53	170.6	0	0	0	110.8	L276 D280 I286 V305 E307 F312 L313	L276-I309 HydrophobicContact CB-CG2 4.1Å; L276-I309 HydrophobicContact CD1-CG2 3.91Å; L276-I309 HydrophobicContact CD2-CG2 4.23Å; L276-I309 HydrophobicContact CG-CG2 4.31Å; D280-I309 HydrophobicContact CB-CD1 3.77Å; I286-I309 HydrophobicContact CD1-CD1 3.74Å; I286-I309 HydrophobicContact CD1-CG1 3.31Å; V305-I309 HydrophobicContact CG1-CD1 4.08Å; V305-I309 WeakPolarHBondContact O-CG1 3.45Å; V305-I309 PolarHBondContact O-N 2.89Å; E307-I309 PolarHBondContact O-N 2.65Å; I309-F312 WeakPolarHBondContact O-CB 3.33Å; I309-F312 PolarHBondContact O-N 3.11Å; I309-L313 HydrophobicContact CG2-CD1 3.92Å; I309-L313 HydrophobicContact CG2-CG 4.28Å; I309-L313 WeakPolarHBondContact O-CB 3.4Å; I309-L313 WeakPolarHBondContact O-CG 3.38Å; I309-L313 PolarHBondContact O-N 2.91Å
310	N	89.3	Confident	88.8	Confident	12 Å²	12	38.5 Å²	38.5	6%	0.064	20%	0.199	C	C	.	.	H	α-helix	trans	-63.4	-45.8	175.9	-76.1	-4.6	0	0	0	111.6	R306 E307 F312 L313 D314 D569 N572 R574	R306-N310 WeakPolarHBondContact O-CB 3.39Å; R306-N310 VanDerWaalsContact O-CG 3.23Å; R306-N310 PolarHBondContact O-N 3Å; R306-N310 VanDerWaalsContact O-N 3.1Å; E307-N310 PolarHBondContact O-N 2.64Å; E307-N310 VanDerWaalsContact O-N 3.14Å; N310-F312 VanDerWaalsContact C-N 3.3Å; N310-F312 PolarHBondContact O-N 3.44Å; N310-L313 PolarHBondContact O-N 2.88Å; N310-L313 VanDerWaalsContact O-N 3.13Å; N310-D314 WeakPolarHBondContact O-CB 3.31Å; N310-D314 VanDerWaalsContact O-CG 3.25Å; N310-D314 PolarHBondContact O-N 3.2Å; N310-D569 PolarHBondContact ND2-OD1 3.47Å; N310-N572 PolarHBondContact OD1-ND2 3.14Å; N310-R574 PolarHBondContact OD1-NH1 2.67Å
311	I	90.2	Very high	88.1	Confident	14 Å²	14	44.5 Å²	44.5	7%	0.072	23%	0.231	C	C	.	.	H	α-helix	trans	-55.8	-45.6	172.8	-74.2	167	0	0	0	110.9	F303 E307 G308 L313 D314 G315 Y316 V317 P318	F303-I311 HydrophobicContact CD1-CD1 3.79Å; F303-I311 HydrophobicContact CD2-CD1 3.85Å; F303-I311 HydrophobicContact CE1-CD1 3.8Å; F303-I311 HydrophobicContact CE2-CD1 3.84Å; F303-I311 HydrophobicContact CG-CD1 3.82Å; F303-I311 HydrophobicContact CZ-CD1 3.82Å; E307-I311 WeakPolarHBondContact O-CB 3.49Å; E307-I311 VanDerWaalsContact O-CG1 3.26Å; E307-I311 WeakPolarHBondContact O-CG1 3.42Å; E307-I311 PolarHBondContact O-N 2.85Å; G308-I311 PolarHBondContact O-N 3.16Å; I311-L313 VanDerWaalsContact C-N 3.33Å; I311-L313 PolarHBondContact O-N 3.37Å; I311-D314 PolarHBondContact O-N 3.44Å; I311-G315 PolarHBondContact O-N 2.87Å; I311-Y316 WeakPolarHBondContact CG2-O 3.37Å; I311-Y316 PolarHBondContact O-N 3.46Å; I311-V317 HydrophobicContact CG2-CG2 4.01Å; I311-P318 HydrophobicContact CD1-CG 4.08Å; I311-P318 HydrophobicContact CG1-CG 4.29Å
312	F	89.6	Confident	87.6	Confident	2 Å²	2	41.5 Å²	41.5	1%	0.009	22%	0.217	C	C	.	.	H	α-helix	trans	-60.6	-41.9	177.2	-179.1	-100.5	0	0	0	112.4	V109 L276 G308 I309 N310 R325 S494	V109-F312 HydrophobicContact CG1-CB 4.13Å; V109-F312 HydrophobicContact CG1-CD2 3.86Å; V109-F312 HydrophobicContact CG1-CG 3.92Å; V109-F312 HydrophobicContact CG2-CD1 3.95Å; V109-F312 HydrophobicContact CG2-CD2 4.01Å; V109-F312 HydrophobicContact CG2-CE1 3.94Å; V109-F312 HydrophobicContact CG2-CE2 4Å; V109-F312 HydrophobicContact CG2-CG 4Å; V109-F312 HydrophobicContact CG2-CZ 3.97Å; L276-F312 HydrophobicContact CD2-CD1 4.32Å; L276-F312 HydrophobicContact CD2-CE1 4.47Å; G308-F312 WeakPolarHBondContact O-CB 3.35Å; G308-F312 PolarHBondContact O-N 3.12Å; I309-F312 WeakPolarHBondContact O-CB 3.33Å; I309-F312 PolarHBondContact O-N 3.11Å; N310-F312 VanDerWaalsContact C-N 3.3Å; N310-F312 PolarHBondContact O-N 3.44Å; F312-R325 PolarHBondContact O-NH2 3.19Å; F312-S494 WeakPolarHBondContact CE1-OG 3.33Å; F312-S494 WeakPolarHBondContact CZ-OG 3.35Å
313	L	87.2	Confident	87.1	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-75.1	-34.9	179.3	-68.5	167.5	0	0	0	112.9	L276 I309 N310 I311 G315 R325 S328 L329 F331 L498 N572	L276-L313 HydrophobicContact CD1-CD2 3.81Å; L276-L313 HydrophobicContact CD1-CG 4.34Å; I309-L313 HydrophobicContact CG2-CD1 3.92Å; I309-L313 HydrophobicContact CG2-CG 4.28Å; I309-L313 WeakPolarHBondContact O-CB 3.4Å; I309-L313 WeakPolarHBondContact O-CG 3.38Å; I309-L313 PolarHBondContact O-N 2.91Å; N310-L313 PolarHBondContact O-N 2.88Å; N310-L313 VanDerWaalsContact O-N 3.13Å; I311-L313 VanDerWaalsContact C-N 3.33Å; I311-L313 PolarHBondContact O-N 3.37Å; L313-G315 VanDerWaalsContact C-N 3.27Å; L313-G315 PolarHBondContact O-N 3.46Å; L313-R325 PolarHBondContact O-NH2 3.42Å; L313-S328 WeakPolarHBondContact O-CA 3.49Å; L313-L329 HydrophobicContact CB-CB 4.4Å; L313-L329 HydrophobicContact CD2-CB 3.88Å; L313-L329 HydrophobicContact CD2-CD1 3.96Å; L313-L329 PolarHBondContact O-N 3.35Å; L313-F331 HydrophobicContact CD1-CE2 3.69Å; L313-F331 HydrophobicContact CD2-CE2 3.59Å; L313-F331 HydrophobicContact CD2-CZ 3.79Å; L313-F331 HydrophobicContact CG-CE2 4.22Å; L313-L498 HydrophobicContact CD2-CD1 4.17Å; L313-N572 WeakPolarHBondContact CD1-ND2 3.4Å
314	D	86.5	Confident	86.4	Confident	69 Å²	69	48.3 Å²	48.3	37%	0.369	24%	0.239	S	C	.	.	H	α-helix	trans	-74.5	-22.4	178.3	-69.2	-22.7	0	0	0	112	N310 I311 Y316	N310-D314 WeakPolarHBondContact O-CB 3.31Å; N310-D314 VanDerWaalsContact O-CG 3.25Å; N310-D314 PolarHBondContact O-N 3.2Å; I311-D314 PolarHBondContact O-N 3.44Å; D314-Y316 VanDerWaalsContact C-N 3.27Å
315	G	86.2	Confident	85.9	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.8	19.2	-178.3	0	0	0	0	0	113	I311 L313 R323 F324 R325	I311-G315 PolarHBondContact O-N 2.87Å; L313-G315 VanDerWaalsContact C-N 3.27Å; L313-G315 PolarHBondContact O-N 3.46Å; G315-R323 CarbonylContact O-C 3.55Å; G315-R323 WeakPolarHBondContact O-CA 3.38Å; G315-F324 VanDerWaalsContact C-CE1 3.44Å; G315-F324 WeakPolarHBondContact O-CD1 3.19Å; G315-F324 PolarHBondContact O-N 3.26Å; G315-R325 PolarHBondContact O-N 3.28Å; G315-R325 VanDerWaalsContact O-N 3.15Å
316	Y	87.4	Confident	85	Confident	68 Å²	68	54.1 Å²	54.1	27%	0.267	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	122.6	-170	174.6	-106.1	0	0	0	111.4	I311 D314 P318 N321 L322 R323	I311-Y316 WeakPolarHBondContact CG2-O 3.37Å; I311-Y316 PolarHBondContact O-N 3.46Å; D314-Y316 VanDerWaalsContact C-N 3.27Å; Y316-P318 HydrophobicContact CD1-CB 4.45Å; Y316-P318 HydrophobicContact CE1-CB 3.86Å; Y316-P318 WeakPolarHBondContact O-CD 3.04Å; Y316-N321 PolarHBondContact OH-OD1 2.84Å; Y316-L322 CarbonylContact C-O 3.59Å; Y316-L322 WeakPolarHBondContact CA-O 3.33Å; Y316-R323 HydrophobicContact CD2-CB 4.03Å
317	V	86.6	Confident	84.5	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	104	177.1	-176.1	0	0	0	0	108.6	Y290 T300 F303 I311 T319 E320 N321 L322 F324	Y290-V317 HydrophobicContact CD1-CG2 4.3Å; Y290-V317 HydrophobicContact CE1-CG2 4.16Å; T300-V317 HydrophobicContact CG2-CG1 4.25Å; T300-V317 HydrophobicContact CG2-CG2 3.9Å; F303-V317 HydrophobicContact CZ-CG1 4.18Å; I311-V317 HydrophobicContact CG2-CG2 4.01Å; V317-T319 VanDerWaalsContact C-N 3.35Å; V317-T319 WeakPolarHBondContact CG1-OG1 3.25Å; V317-T319 PolarHBondContact O-N 3.46Å; V317-E320 HydrophobicContact CB-CB 4.46Å; V317-E320 HydrophobicContact CG1-CB 4.12Å; V317-E320 HydrophobicContact CG1-CG 4.14Å; V317-E320 PolarHBondContact O-N 3.35Å; V317-N321 PolarHBondContact O-N 3.13Å; V317-N321 VanDerWaalsContact O-N 3.1Å; V317-L322 PolarHBondContact N-O 2.65Å; V317-L322 PolarHBondContact O-N 2.85Å; V317-L322 VanDerWaalsContact O-N 3.13Å; V317-F324 HydrophobicContact CG2-CD1 3.98Å; V317-F324 HydrophobicContact CG2-CE1 3.92Å
318	P	81.9	Confident	83.9	Confident	69 Å²	69	50 Å²	50	45%	0.448	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-66.1	-35.5	-172.3	25	-34	0	0	0	113	I311 Y316 E320 N321	I311-P318 HydrophobicContact CD1-CG 4.08Å; I311-P318 HydrophobicContact CG1-CG 4.29Å; Y316-P318 HydrophobicContact CD1-CB 4.45Å; Y316-P318 HydrophobicContact CE1-CB 3.86Å; Y316-P318 WeakPolarHBondContact O-CD 3.04Å; P318-E320 PolarHBondContact O-N 2.9Å; P318-N321 PolarHBondContact O-N 3.06Å
319	T	81	Confident	82.9	Confident	97 Å²	97	51.2 Å²	51.2	60%	0.595	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-64.5	-25.7	-179.7	51.9	0	0	0	0	113.3	F303 V317	F303-T319 HydrophobicContact CE1-CG2 3.85Å; F303-T319 HydrophobicContact CZ-CG2 4.2Å; V317-T319 VanDerWaalsContact C-N 3.35Å; V317-T319 WeakPolarHBondContact CG1-OG1 3.25Å; V317-T319 PolarHBondContact O-N 3.46Å
320	E	77.3	Confident	81.9	Confident	55 Å²	55	54.5 Å²	54.5	26%	0.257	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-107.5	-1.9	-179.1	-67.1	173.2	-150.9	0	0	112.1	R96 Y290 V317 P318 L322	R96-E320 IonicContact CZ-OE1 3.58Å; R96-E320 IonicContact NH1-OE1 3.43Å; R96-E320 PolarHBondContact NH1-OE1 2.82Å; R96-E320 IonicContact NH1-OE2 3.72Å; Y290-E320 PolarHBondContact OH-OE2 3.4Å; V317-E320 HydrophobicContact CB-CB 4.46Å; V317-E320 HydrophobicContact CG1-CB 4.12Å; V317-E320 HydrophobicContact CG1-CG 4.14Å; V317-E320 PolarHBondContact O-N 3.35Å; P318-E320 PolarHBondContact O-N 2.9Å; E320-L322 HydrophobicContact CB-CB 3.91Å; E320-L322 PolarHBondContact O-N 3.28Å
321	N	76.8	Confident	80.9	Confident	128 Å²	128	54.3 Å²	54.3	68%	0.684	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.2	41.7	-168.3	-170	24.4	0	0	0	112	Y316 V317 P318	Y316-N321 PolarHBondContact OH-OD1 2.84Å; V317-N321 PolarHBondContact O-N 3.13Å; V317-N321 VanDerWaalsContact O-N 3.1Å; P318-N321 PolarHBondContact O-N 3.06Å
322	L	81.2	Confident	79.5	Confident	37 Å²	37	61 Å²	61	19%	0.194	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	117.2	-170.8	-172.3	145.7	0	0	0	110.6	Y290 Y316 V317 E320 F324	Y290-L322 HydrophobicContact CD2-CD2 3.98Å; Y290-L322 HydrophobicContact CE1-CD2 4.44Å; Y290-L322 HydrophobicContact CE2-CD1 4.14Å; Y290-L322 HydrophobicContact CE2-CD2 3.44Å; Y290-L322 VanDerWaalsContact CE2-CD2 3.44Å; Y290-L322 HydrophobicContact CE2-CG 4.46Å; Y316-L322 CarbonylContact C-O 3.59Å; Y316-L322 WeakPolarHBondContact CA-O 3.33Å; V317-L322 PolarHBondContact N-O 2.65Å; V317-L322 PolarHBondContact O-N 2.85Å; V317-L322 VanDerWaalsContact O-N 3.13Å; E320-L322 HydrophobicContact CB-CB 3.91Å; E320-L322 PolarHBondContact O-N 3.28Å; L322-F324 HydrophobicContact CD2-CB 3.94Å
323	R	82	Confident	77.9	Confident	141 Å²	141	62.5 Å²	62.5	53%	0.532	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	113.1	170.5	-172.9	174.9	-70.8	-92.5	-2.6	109.2	G315 Y316 R325	G315-R323 CarbonylContact O-C 3.55Å; G315-R323 WeakPolarHBondContact O-CA 3.38Å; Y316-R323 HydrophobicContact CD2-CB 4.03Å; R323-R325 WeakPolarHBondContact CD-O 3.29Å; R323-R325 WeakPolarHBondContact CG-O 3.5Å
324	F	81.9	Confident	76.1	Confident	54 Å²	54	64.6 Å²	64.6	24%	0.237	35%	0.345	C	S	.	.	S	Bend	trans	-96.3	-10.3	176.6	64	-95.4	0	0	0	112.8	Y290 G315 V317 L322	Y290-F324 HydrophobicContact CD1-CD1 4.32Å; Y290-F324 HydrophobicContact CD2-CB 3.76Å; Y290-F324 HydrophobicContact CD2-CG 4.31Å; Y290-F324 HydrophobicContact CG-CB 3.95Å; Y290-F324 HydrophobicContact CG-CD1 4.01Å; Y290-F324 AromaticContact CG-CG 3.97Å; Y290-F324 HydrophobicContact CG-CG 3.97Å; G315-F324 VanDerWaalsContact C-CE1 3.44Å; G315-F324 WeakPolarHBondContact O-CD1 3.19Å; G315-F324 PolarHBondContact O-N 3.26Å; V317-F324 HydrophobicContact CG2-CD1 3.98Å; V317-F324 HydrophobicContact CG2-CE1 3.92Å; L322-F324 HydrophobicContact CD2-CB 3.94Å
325	R	82.3	Confident	74	Confident	28 Å²	28	67.9 Å²	67.9	11%	0.106	36%	0.359	C	S	.	.			trans	-139.2	136.2	172.4	-171.1	174.2	60.8	-131.2	-14	111.8	F312 L313 G315 R323 A327 L329 E495	F312-R325 PolarHBondContact O-NH2 3.19Å; L313-R325 PolarHBondContact O-NH2 3.42Å; G315-R325 PolarHBondContact O-N 3.28Å; G315-R325 VanDerWaalsContact O-N 3.15Å; R323-R325 WeakPolarHBondContact CD-O 3.29Å; R323-R325 WeakPolarHBondContact CG-O 3.5Å; R325-A327 WeakPolarHBondContact CD-O 3.4Å; R325-A327 WeakPolarHBondContact CG-O 3.42Å; R325-A327 PolarHBondContact NE-O 2.96Å; R325-L329 VanDerWaalsContact NH1-CD1 3.27Å; R325-L329 VanDerWaalsContact NH2-CD1 3.29Å; R325-E495 IonicContact CZ-OE2 2.69Å; R325-E495 IonicContact NH1-OE2 3.4Å; R325-E495 PolarHBondContact NH1-OE2 3.16Å
326	D	73.9	Confident	71.6	Confident	157 Å²	157	73.5 Å²	73.5	84%	0.84	39%	0.393	S	S	*	.	S	Bend	trans	-67.3	-40.8	-177	-63.6	-33.3	0	0	0	112.6
327	A	77.9	Confident	69.2	Low	59 Å²	59	74 Å²	74	49%	0.488	41%	0.412	S	S	.	.	S	Bend	trans	-103.3	134.9	-179	0	0	0	0	0	111.8	R325	R325-A327 WeakPolarHBondContact CD-O 3.4Å; R325-A327 WeakPolarHBondContact CG-O 3.42Å; R325-A327 PolarHBondContact NE-O 2.96Å
328	S	79.1	Confident	66.9	Low	59 Å²	59	80.6 Å²	80.6	41%	0.413	45%	0.447	S	S	.	.			trans	-74.8	151.3	165.9	57.4	0	0	0	0	110.7	L313	L313-S328 WeakPolarHBondContact O-CA 3.49Å
329	L	72.7	Confident	65.1	Low	26 Å²	26	85.9 Å²	85.9	14%	0.136	47%	0.466	C	S	.	.			trans	-96.1	99.6	175.7	-65	167.3	0	0	0	108	L313 R325 L498	L313-L329 HydrophobicContact CB-CB 4.4Å; L313-L329 HydrophobicContact CD2-CB 3.88Å; L313-L329 HydrophobicContact CD2-CD1 3.96Å; L313-L329 PolarHBondContact O-N 3.35Å; R325-L329 VanDerWaalsContact NH1-CD1 3.27Å; R325-L329 VanDerWaalsContact NH2-CD1 3.29Å; L329-L498 HydrophobicContact CB-CD1 4.12Å; L329-L498 HydrophobicContact CD1-CD1 3.47Å; L329-L498 VanDerWaalsContact CD1-CD1 3.47Å; L329-L498 HydrophobicContact CD2-CB 4.27Å; L329-L498 HydrophobicContact CD2-CD1 4.07Å; L329-L498 HydrophobicContact CG-CD1 4.1Å
330	V	69.1	Low	63.1	Low	70 Å²	70	89.4 Å²	89.4	42%	0.424	48%	0.475	S	S	.	.			trans	-102.1	130.8	-178.7	-171.2	0	0	0	0	110.3	K332	V330-K332 VanDerWaalsContact C-N 3.35Å; V330-K332 HydrophobicContact CG1-CG 3.95Å; V330-K332 PolarHBondContact O-N 3.13Å
331	F	68.2	Low	61.5	Low	7 Å²	7	94.3 Å²	94.3	3%	0.031	50%	0.498	C	S	.	.			trans	-92.6	66	176.4	-60	-78.7	0	0	0	110.4	L313 V333 L498 I523 N572 Y573 R574	L313-F331 HydrophobicContact CD1-CE2 3.69Å; L313-F331 HydrophobicContact CD2-CE2 3.59Å; L313-F331 HydrophobicContact CD2-CZ 3.79Å; L313-F331 HydrophobicContact CG-CE2 4.22Å; F331-V333 VanDerWaalsContact C-N 3.29Å; F331-V333 PolarHBondContact O-N 2.94Å; F331-L498 HydrophobicContact CD1-CD2 4.45Å; F331-L498 HydrophobicContact CE1-CD1 4.3Å; F331-L498 HydrophobicContact CE1-CD2 3.28Å; F331-L498 HydrophobicContact CE1-CG 4.43Å; F331-L498 HydrophobicContact CZ-CD1 3.85Å; F331-L498 HydrophobicContact CZ-CD2 3.68Å; F331-L498 HydrophobicContact CZ-CG 4.43Å; F331-I523 HydrophobicContact CD1-CG2 3.73Å; F331-I523 HydrophobicContact CE1-CB 4.46Å; F331-I523 HydrophobicContact CE1-CG2 2.99Å; F331-I523 HydrophobicContact CZ-CG2 3.49Å; F331-I523 VanDerWaalsContact CZ-CG2 3.49Å; F331-N572 WeakPolarHBondContact CB-O 3.45Å; F331-N572 PolarHBondContact N-O 2.93Å; F331-Y573 WeakPolarHBondContact O-CB 3.44Å; F331-R574 HydrophobicContact CB-CB 4.45Å; F331-R574 HydrophobicContact CD2-CB 3.45Å; F331-R574 VanDerWaalsContact CD2-CB 3.45Å; F331-R574 HydrophobicContact CE2-CB 3.89Å; F331-R574 HydrophobicContact CG-CB 4.01Å
332	K	60.7	Low	60.2	Low	156 Å²	156	92.3 Å²	92.3	68%	0.678	49%	0.49	S	S	*	.			trans	-73.7	96.5	163.8	-70.3	-166.7	177.1	-172	0	107.1	V330 A334	V330-K332 VanDerWaalsContact C-N 3.35Å; V330-K332 HydrophobicContact CG1-CG 3.95Å; V330-K332 PolarHBondContact O-N 3.13Å; K332-A334 VanDerWaalsContact C-N 3.32Å; K332-A334 PolarHBondContact O-N 2.9Å
333	V	56	Low	58.6	Low	32 Å²	32	98 Å²	98	19%	0.194	51%	0.514	C	S	.	.			trans	-55.3	110.8	154.9	-177.2	0	0	0	0	103.6	F331 E335 L551	F331-V333 VanDerWaalsContact C-N 3.29Å; F331-V333 PolarHBondContact O-N 2.94Å; V333-E335 PolarHBondContact O-N 3.41Å; V333-L551 HydrophobicContact CG1-CD2 4.06Å
334	A	49.1	Very low	57.4	Low	44 Å²	44	97.3 Å²	97.3	36%	0.364	51%	0.514	S	S	.	.			trans	-64.3	90	175.6	0	0	0	0	0	106.8	K332 T336	K332-A334 VanDerWaalsContact C-N 3.32Å; K332-A334 PolarHBondContact O-N 2.9Å; A334-T336 VanDerWaalsContact CB-OG1 3.3Å; A334-T336 WeakPolarHBondContact CB-OG1 3.35Å; A334-T336 PolarHBondContact O-N 3.18Å
335	E	42.2	Very low	56.4	Low	139 Å²	139	101 Å²	101	65%	0.65	53%	0.534	S	S	*	.			trans	-67.6	-5.9	157.8	-76.5	171.9	-164.9	0	0	110.3	V333 A337 R568	V333-E335 PolarHBondContact O-N 3.41Å; E335-A337 CarbonylContact O-C 3.55Å; E335-A337 PolarHBondContact O-N 3.15Å; E335-R568 IonicContact OE1-CZ 2.93Å; E335-R568 IonicContact OE1-NH1 3.64Å; E335-R568 PolarHBondContact OE1-NH1 2.87Å; E335-R568 IonicContact OE1-NH2 3.35Å; E335-R568 PolarHBondContact OE1-NH2 2.99Å
336	T	35.6	Very low	55.7	Low	117 Å²	117	102.3 Å²	102.3	72%	0.718	55%	0.547	S	S	*	.			trans	-68.5	75.9	164.2	47.8	0	0	0	0	111	A334	A334-T336 VanDerWaalsContact CB-OG1 3.3Å; A334-T336 WeakPolarHBondContact CB-OG1 3.35Å; A334-T336 PolarHBondContact O-N 3.18Å
337	A	37.6	Very low	55.9	Low	80 Å²	80	99.6 Å²	99.6	66%	0.661	53%	0.53	S	S	*	.				-125.2	82.9	105.8	0	0	0	0	0	105.8	E335 E339	E335-A337 CarbonylContact O-C 3.55Å; E335-A337 PolarHBondContact O-N 3.15Å; A337-E339 VanDerWaalsContact C-N 3.34Å; A337-E339 PolarHBondContact O-N 2.85Å
338	N	38.2	Very low	56.3	Low	137 Å²	137	100.1 Å²	100.1	73%	0.733	52%	0.52	S	S	*	.				-29.3	117.6	114	-82.3	-2.4	0	0	0	108.3	E340	N338-E340 PolarHBondContact O-N 3.46Å
339	E	43.6	Very low	56.7	Low	181 Å²	181	103.1 Å²	103.1	85%	0.846	53%	0.526	S	S	*	.	S	Bend	trans	-59.7	43.9	176.7	-56.2	172.5	147.3	0	0	111.9	A337 E341	A337-E339 VanDerWaalsContact C-N 3.34Å; A337-E339 PolarHBondContact O-N 2.85Å; E339-E341 PolarHBondContact O-N 2.8Å
340	E	39.1	Very low	57.5	Low	171 Å²	171	102 Å²	102	80%	0.799	52%	0.519	S	S	*	.			trans	-55.8	93.1	140.8	-73.7	-166.1	174.5	0	0	104.4	N338 V342	N338-E340 PolarHBondContact O-N 3.46Å; E340-V342 PolarHBondContact O-N 3.39Å
341	E	43.8	Very low	58.6	Low	158 Å²	158	100.4 Å²	100.4	74%	0.738	51%	0.511	S	S	*	.			trans	-43.7	86	166.7	-63	174.5	153.9	0	0	106.6	E339 K343	E339-E341 PolarHBondContact O-N 2.8Å; E341-K343 PolarHBondContact O-N 3.49Å
342	V	50.1	Low	59.7	Low	85 Å²	85	101.8 Å²	101.8	52%	0.515	53%	0.527	S	S	.	.			trans	-55.9	94.4	149	176.9	0	0	0	0	100.2	E340 K344	E340-V342 PolarHBondContact O-N 3.39Å; V342-K344 WeakPolarHBondContact O-CG 3.44Å; V342-K344 PolarHBondContact O-N 2.86Å
343	K	47.9	Very low	61.2	Low	158 Å²	158	94.5 Å²	94.5	69%	0.687	50%	0.495	S	S	*	.			trans	-51.6	100	-172.9	-75.6	180	174.6	180	0	105	E341 M345	E341-K343 PolarHBondContact O-N 3.49Å; K343-M345 HydrophobicContact CB-CG 4.32Å; K343-M345 WeakPolarHBondContact O-CG 3.35Å; K343-M345 PolarHBondContact O-N 3.35Å
344	K	57.3	Low	63	Low	125 Å²	125	98.2 Å²	98.2	54%	0.543	51%	0.509	S	S	.	.			trans	-69.2	91.6	-178.5	-77.3	170.8	170.2	-158.6	0	103.5	V342 C346 T370 D371	V342-K344 WeakPolarHBondContact O-CG 3.44Å; V342-K344 PolarHBondContact O-N 2.86Å; K344-C346 VanDerWaalsContact C-N 3.27Å; K344-C346 PolarHBondContact O-N 3.09Å; K344-T370 HydrophobicContact CB-CG2 4.31Å; K344-T370 HydrophobicContact CD-CG2 3.69Å; K344-T370 HydrophobicContact CG-CG2 4.16Å; K344-D371 WeakPolarHBondContact CA-OD1 3.19Å
345	M	59.5	Low	65.1	Low	133 Å²	133	97.5 Å²	97.5	66%	0.655	50%	0.497	S	S	*	.			trans	-77	-25.2	-164.7	-61.7	-156.8	-129.2	0	0	110.2	K343 D371	K343-M345 HydrophobicContact CB-CG 4.32Å; K343-M345 WeakPolarHBondContact O-CG 3.35Å; K343-M345 PolarHBondContact O-N 3.35Å; M345-D371 PolarHBondContact N-OD1 2.85Å; M345-D371 PolarHBondContact N-OD2 3.17Å
346	C	68.3	Low	67.4	Low	55 Å²	55	96.5 Å²	96.5	37%	0.372	49%	0.491	S	S	.	.			trans	-136	118.6	-175.1	-69.5	0	0	0	0	111.2	K344 Y348 D371	K344-C346 VanDerWaalsContact C-N 3.27Å; K344-C346 PolarHBondContact O-N 3.09Å; C346-Y348 HydrophobicContact CB-CE2 3.85Å; C346-D371 PolarHBondContact N-OD1 2.86Å; C346-D371 PolarHBondContact O-N 3.4Å
347	M	78.6	Confident	69.9	Low	100 Å²	100	94.8 Å²	94.8	49%	0.493	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	119.7	169.5	-67.6	-67.9	-64.3	0	0	108.8	E368 T370	M347-E368 HydrophobicContact CE-CB 4.03Å; M347-E368 WeakPolarHBondContact CE-OE2 3.44Å; M347-T370 HydrophobicContact CE-CG2 4.1Å; M347-T370 HydrophobicContact SD-CG2 3.22Å; M347-T370 WeakPolarHBondContact SD-CG2 3.36Å
348	Y	86.5	Confident	72.3	Confident	70 Å²	70	94 Å²	94	28%	0.275	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	149.3	171.3	-58.8	-78.4	0	0	0	109.5	C346 E368 F369 L407	C346-Y348 HydrophobicContact CB-CE2 3.85Å; Y348-E368 WeakPolarHBondContact O-CA 3.42Å; Y348-F369 HydrophobicContact CD2-CD2 4.01Å; Y348-F369 AromaticContact CD2-CE2 3.65Å; Y348-F369 HydrophobicContact CD2-CE2 3.65Å; Y348-F369 HydrophobicContact CD2-CZ 4.38Å; Y348-F369 HydrophobicContact CG-CD2 4.32Å; Y348-F369 AromaticContact CG-CE2 3.72Å; Y348-F369 HydrophobicContact CG-CE2 3.72Å; Y348-F369 AromaticContact CG-CZ 3.98Å; Y348-F369 HydrophobicContact CG-CZ 3.98Å; Y348-F369 PolarHBondContact N-O 2.81Å; Y348-F369 PolarHBondContact O-N 2.92Å; Y348-F369 VanDerWaalsContact O-O 3.14Å; Y348-L407 HydrophobicContact CD1-CD1 3.99Å; Y348-L407 HydrophobicContact CD1-CD2 4.04Å; Y348-L407 HydrophobicContact CE1-CD1 4.34Å; Y348-L407 HydrophobicContact CE1-CD2 3.63Å; Y348-L407 HydrophobicContact CG-CD1 4.28Å
349	K	87.4	Confident	74.6	Confident	121 Å²	121	95.6 Å²	95.6	53%	0.526	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	140	176.6	-52	-166.5	-175.4	-163.1	0	109.3	G367 E368 P405	K349-G367 WeakPolarHBondContact CA-O 3.15Å; K349-E368 HydrophobicContact CD-CG 3.89Å; K349-E368 WeakPolarHBondContact CD-OE1 3.48Å; K349-E368 WeakPolarHBondContact CE-OE1 3.29Å; K349-E368 HydrophobicContact CG-CB 4.32Å; K349-E368 HydrophobicContact CG-CG 3.84Å; K349-E368 IonicContact NZ-OE1 3.25Å; K349-E368 PolarHBondContact NZ-OE1 2.71Å; K349-E368 IonicContact NZ-OE2 2.65Å; K349-P405 WeakPolarHBondContact O-CD 3.24Å
350	Y	89.6	Confident	76.8	Confident	2 Å²	2	88 Å²	88	1%	0.008	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	134.3	165.3	60.8	-94.6	0	0	0	108.9	M353 I364 V365 A366 G367 F369 F388 P548	Y350-M353 HydrophobicContact CD2-CE 4.37Å; Y350-I364 HydrophobicContact CD2-CG2 4.02Å; Y350-I364 HydrophobicContact CE2-CG2 3.61Å; Y350-V365 VanDerWaalsContact CE2-O 3.24Å; Y350-V365 WeakPolarHBondContact CE2-O 3.25Å; Y350-A366 WeakPolarHBondContact O-CA 3.37Å; Y350-G367 PolarHBondContact N-O 2.81Å; Y350-G367 PolarHBondContact O-N 3.04Å; Y350-G367 VanDerWaalsContact O-N 3.16Å; Y350-F369 AromaticContact CD1-CD1 3.88Å; Y350-F369 HydrophobicContact CD1-CD1 3.88Å; Y350-F369 AromaticContact CD1-CE1 4Å; Y350-F369 HydrophobicContact CD1-CE1 4Å; Y350-F369 HydrophobicContact CE1-CD1 4.32Å; Y350-F388 HydrophobicContact CD2-CE2 4.49Å; Y350-F388 HydrophobicContact CD2-CZ 4.29Å; Y350-F388 HydrophobicContact CE1-CZ 4.4Å; Y350-F388 HydrophobicContact CE2-CE2 4.38Å; Y350-F388 AromaticContact CE2-CZ 3.81Å; Y350-F388 HydrophobicContact CE2-CZ 3.81Å; Y350-F388 AromaticContact CZ-CZ 3.86Å; Y350-P548 HydrophobicContact CE1-CG 4.34Å; Y350-P548 VanDerWaalsContact OH-CD 3.31Å; Y350-P548 WeakPolarHBondContact OH-CD 3.26Å
351	P	90.6	Very high	79.4	Confident	38 Å²	38	83.4 Å²	83.4	25%	0.247	42%	0.422	C	S	.	.			trans	-69.6	164.5	-179.1	29.6	-34.1	0	0	0	110.9	M353 G402	P351-M353 HydrophobicContact CG-CG 4.35Å; P351-M353 PolarHBondContact O-N 3.45Å; P351-G402 VanDerWaalsContact CG-O 3.23Å; P351-G402 WeakPolarHBondContact CG-O 3.37Å
352	G	92.1	Very high	81.8	Confident	35 Å²	35	76 Å²	76	36%	0.361	39%	0.387	S	S	.	.			trans	-63	132.2	166	0	0	0	0	0	109.3	I364 G401	G352-I364 CarbonylContact C-O 3.56Å; G352-I364 WeakPolarHBondContact CA-O 3.47Å; G352-G401 VanDerWaalsContact O-CA 3.26Å; G352-G401 WeakPolarHBondContact O-CA 3.47Å
353	M	92.9	Very high	83.9	Confident	3 Å²	3	73.1 Å²	73.1	2%	0.015	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	151.3	-176.3	-69.8	174.9	-72.1	0	0	110	Y350 P351 I364 F388 P398 E400 V404	Y350-M353 HydrophobicContact CD2-CE 4.37Å; P351-M353 HydrophobicContact CG-CG 4.35Å; P351-M353 PolarHBondContact O-N 3.45Å; M353-I364 HydrophobicContact CB-CB 4.33Å; M353-I364 HydrophobicContact CB-CD1 4.37Å; M353-I364 HydrophobicContact CE-CD1 4.16Å; M353-I364 HydrophobicContact CE-CG2 4.32Å; M353-I364 PolarHBondContact N-O 3.44Å; M353-I364 PolarHBondContact O-N 3.29Å; M353-F388 HydrophobicContact CE-CE2 4.26Å; M353-P398 HydrophobicContact CB-CB 4.07Å; M353-P398 HydrophobicContact CG-CB 4.12Å; M353-P398 HydrophobicContact CG-CG 4.33Å; M353-P398 HydrophobicContact SD-CB 4.22Å; M353-P398 HydrophobicContact SD-CG 4.12Å; M353-E400 CarbonylContact C-O 3.49Å; M353-E400 VanDerWaalsContact CA-O 3.29Å; M353-E400 WeakPolarHBondContact CA-O 3.3Å; M353-V404 HydrophobicContact CE-CG2 4.02Å; M353-V404 HydrophobicContact SD-CG2 3.7Å
354	K	93.3	Very high	86.2	Confident	111 Å²	111	66 Å²	66	48%	0.483	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	146.8	166.5	-57.1	-171.2	-159.5	143.4	0	111.1	L362 A363 D399 E400	K354-L362 CarbonylContact C-O 3.6Å; K354-L362 VanDerWaalsContact CA-O 3.28Å; K354-L362 WeakPolarHBondContact CA-O 3.46Å; K354-A363 HydrophobicContact CG-CB 4.19Å; K354-D399 PolarHBondContact O-N 3.39Å; K354-E400 HydrophobicContact CB-CB 4.15Å; K354-E400 WeakPolarHBondContact CD-OE2 3.23Å; K354-E400 WeakPolarHBondContact CE-OE2 3.18Å; K354-E400 PolarHBondContact N-O 3.03Å; K354-E400 IonicContact NZ-OE2 3.63Å; K354-E400 PolarHBondContact NZ-OE2 2.96Å; K354-E400 PolarHBondContact O-N 2.91Å
355	K	92.3	Very high	87.9	Confident	28 Å²	28	62.9 Å²	62.9	12%	0.122	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	130.4	174.9	-171.6	74.5	-159.9	166.8	0	110	M357 L362 T387 M391 L396 K397 D399	K355-M357 HydrophobicContact CG-CG 4.16Å; K355-L362 PolarHBondContact N-O 3.13Å; K355-L362 PolarHBondContact O-N 2.94Å; K355-T387 HydrophobicContact CG-CG2 4.37Å; K355-M391 HydrophobicContact CB-CE 4.3Å; K355-M391 HydrophobicContact CB-SD 3.83Å; K355-M391 HydrophobicContact CD-SD 4.35Å; K355-M391 HydrophobicContact CG-SD 4.23Å; K355-L396 HydrophobicContact CD-CD2 4.29Å; K355-L396 HydrophobicContact CD-CG 4.38Å; K355-L396 HydrophobicContact CG-CD2 4.26Å; K355-K397 VanDerWaalsContact CD-O 3.29Å; K355-K397 WeakPolarHBondContact CD-O 3.42Å; K355-K397 WeakPolarHBondContact CE-O 3.38Å; K355-K397 PolarHBondContact NZ-O 3.47Å; K355-D399 WeakPolarHBondContact CA-OD2 3.44Å; K355-D399 VanDerWaalsContact CD-OD2 3.32Å; K355-D399 WeakPolarHBondContact CD-OD2 3.29Å; K355-D399 WeakPolarHBondContact CE-OD2 3.45Å; K355-D399 IonicContact NZ-OD1 3.08Å; K355-D399 PolarHBondContact NZ-OD1 3.38Å; K355-D399 IonicContact NZ-OD2 3.97Å; K355-D399 PolarHBondContact NZ-OD2 3.31Å
356	K	92.1	Very high	89.5	Confident	118 Å²	118	59.2 Å²	59.2	51%	0.513	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	129.3	171.7	-172.3	166.2	-175	153.4	0	109.9	G358 F360 E361 D399	K356-G358 VanDerWaalsContact CE-O 3.29Å; K356-G358 WeakPolarHBondContact CE-O 3.48Å; K356-F360 CarbonylContact C-O 3.52Å; K356-F360 WeakPolarHBondContact CA-O 3.31Å; K356-E361 HydrophobicContact CB-CG 4.23Å; K356-E361 HydrophobicContact CD-CG 4Å; K356-E361 WeakPolarHBondContact CD-OE1 3.01Å; K356-E361 VanDerWaalsContact CE-OE1 3.25Å; K356-E361 WeakPolarHBondContact CE-OE1 3.07Å; K356-E361 HydrophobicContact CG-CG 3.84Å; K356-E361 IonicContact NZ-OE1 3.96Å; K356-E361 PolarHBondContact NZ-OE1 3.43Å; K356-D399 PolarHBondContact N-OD2 3.36Å
357	M	87.6	Confident	90.6	Very high	82 Å²	82	56.8 Å²	56.8	40%	0.404	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	87.1	176.6	-64.4	-168.4	-61.2	0	0	108.9	K355 E359 F360 T387 L396	K355-M357 HydrophobicContact CG-CG 4.16Å; M357-E359 PolarHBondContact O-N 3.42Å; M357-F360 HydrophobicContact CB-CD1 4.47Å; M357-F360 HydrophobicContact CE-CD1 3.69Å; M357-F360 HydrophobicContact CE-CE1 3.93Å; M357-F360 PolarHBondContact N-O 2.96Å; M357-F360 PolarHBondContact O-N 3.48Å; M357-T387 HydrophobicContact CE-CG2 3.57Å; M357-T387 VanDerWaalsContact CE-OG1 3.31Å; M357-T387 WeakPolarHBondContact CE-OG1 3.47Å; M357-T387 HydrophobicContact SD-CG2 4.07Å; M357-L396 HydrophobicContact SD-CD2 4.35Å
358	G	87.6	Confident	91.2	Very high	64 Å²	64	55.6 Å²	55.6	66%	0.66	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.8	-120.6	-171.7	0	0	0	0	0	110.8	K356	K356-G358 VanDerWaalsContact CE-O 3.29Å; K356-G358 WeakPolarHBondContact CE-O 3.48Å
359	E	86.3	Confident	91.4	Very high	170 Å²	170	52.6 Å²	52.6	79%	0.794	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-14.7	176.9	-61.3	-171.2	165.3	0	0	113.6	M357	M357-E359 PolarHBondContact O-N 3.42Å
360	F	90	Very high	91.3	Very high	21 Å²	21	47 Å²	47	9%	0.092	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	124.8	-178.5	174.2	-111	0	0	0	111.4	K356 M357 L362 G382 K541 T543	K356-F360 CarbonylContact C-O 3.52Å; K356-F360 WeakPolarHBondContact CA-O 3.31Å; M357-F360 HydrophobicContact CB-CD1 4.47Å; M357-F360 HydrophobicContact CE-CD1 3.69Å; M357-F360 HydrophobicContact CE-CE1 3.93Å; M357-F360 PolarHBondContact N-O 2.96Å; M357-F360 PolarHBondContact O-N 3.48Å; F360-L362 HydrophobicContact CE1-CB 3.8Å; F360-L362 HydrophobicContact CZ-CB 3.84Å; F360-G382 VanDerWaalsContact CE2-O 3.32Å; F360-G382 WeakPolarHBondContact CE2-O 3.17Å; F360-K541 CarbonylContact C-O 3.54Å; F360-K541 WeakPolarHBondContact CA-O 3.44Å; F360-T543 HydrophobicContact CE2-CG2 4.08Å; F360-T543 WeakPolarHBondContact CE2-OG1 3.49Å; F360-T543 WeakPolarHBondContact CZ-OG1 3.33Å
361	E	93.4	Very high	91	Very high	75 Å²	75	47.8 Å²	47.8	35%	0.35	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	130.3	172.6	-68.8	-179.6	-176.5	0	0	110.5	K356 K541 N542 T543	K356-E361 HydrophobicContact CB-CG 4.23Å; K356-E361 HydrophobicContact CD-CG 4Å; K356-E361 WeakPolarHBondContact CD-OE1 3.01Å; K356-E361 VanDerWaalsContact CE-OE1 3.25Å; K356-E361 WeakPolarHBondContact CE-OE1 3.07Å; K356-E361 HydrophobicContact CG-CG 3.84Å; K356-E361 IonicContact NZ-OE1 3.96Å; K356-E361 PolarHBondContact NZ-OE1 3.43Å; E361-K541 PolarHBondContact N-O 2.79Å; E361-N542 WeakPolarHBondContact O-CA 3.17Å; E361-T543 PolarHBondContact O-N 2.91Å; E361-T543 PolarHBondContact O-OG1 3.24Å
362	L	94.6	Very high	90.7	Very high	2 Å²	2	47 Å²	47	1%	0.01	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	118.4	173.9	173.9	62.7	0	0	0	108.7	K354 K355 F360 I364 T387 F388 M391 F535 T543 A545	K354-L362 CarbonylContact C-O 3.6Å; K354-L362 VanDerWaalsContact CA-O 3.28Å; K354-L362 WeakPolarHBondContact CA-O 3.46Å; K355-L362 PolarHBondContact N-O 3.13Å; K355-L362 PolarHBondContact O-N 2.94Å; F360-L362 HydrophobicContact CE1-CB 3.8Å; F360-L362 HydrophobicContact CZ-CB 3.84Å; L362-I364 HydrophobicContact CD1-CG1 4.44Å; L362-I364 HydrophobicContact CD2-CD1 4.2Å; L362-I364 HydrophobicContact CD2-CG1 4.32Å; L362-I364 HydrophobicContact CG-CD1 4.47Å; L362-I364 HydrophobicContact CG-CG1 4.15Å; L362-T387 HydrophobicContact CD2-CG2 4.13Å; L362-F388 HydrophobicContact CD2-CB 4.47Å; L362-M391 HydrophobicContact CD2-CE 3.73Å; L362-F535 HydrophobicContact CD1-CD1 4.27Å; L362-F535 HydrophobicContact CD1-CE1 4Å; L362-T543 WeakPolarHBondContact CA-O 3.22Å; L362-A545 HydrophobicContact CD1-CB 4.41Å
363	A	94.8	Very high	90.7	Very high	25 Å²	25	45.5 Å²	45.5	21%	0.207	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	131.3	166.9	0	0	0	0	0	109.6	K354 T543 V544 A545	K354-A363 HydrophobicContact CG-CB 4.19Å; A363-T543 PolarHBondContact N-O 3.48Å; A363-V544 HydrophobicContact CB-CG2 4.38Å; A363-V544 CarbonylContact O-C 3.56Å; A363-V544 VanDerWaalsContact O-CA 3.23Å; A363-V544 WeakPolarHBondContact O-CA 3.39Å; A363-A545 PolarHBondContact O-N 2.9Å
364	I	94.5	Very high	90.7	Very high	7 Å²	7	45.5 Å²	45.5	4%	0.036	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	121.2	175.8	-66.5	160.1	0	0	0	107.1	Y350 G352 M353 L362 F388 M391 A545	Y350-I364 HydrophobicContact CD2-CG2 4.02Å; Y350-I364 HydrophobicContact CE2-CG2 3.61Å; G352-I364 CarbonylContact C-O 3.56Å; G352-I364 WeakPolarHBondContact CA-O 3.47Å; M353-I364 HydrophobicContact CB-CB 4.33Å; M353-I364 HydrophobicContact CB-CD1 4.37Å; M353-I364 HydrophobicContact CE-CD1 4.16Å; M353-I364 HydrophobicContact CE-CG2 4.32Å; M353-I364 PolarHBondContact N-O 3.44Å; M353-I364 PolarHBondContact O-N 3.29Å; L362-I364 HydrophobicContact CD1-CG1 4.44Å; L362-I364 HydrophobicContact CD2-CD1 4.2Å; L362-I364 HydrophobicContact CD2-CG1 4.32Å; L362-I364 HydrophobicContact CG-CD1 4.47Å; L362-I364 HydrophobicContact CG-CG1 4.15Å; I364-F388 HydrophobicContact CD1-CB 4.26Å; I364-F388 HydrophobicContact CD1-CD2 3.28Å; I364-F388 HydrophobicContact CD1-CE2 3.75Å; I364-F388 HydrophobicContact CD1-CG 3.9Å; I364-F388 HydrophobicContact CG1-CD2 4.09Å; I364-F388 HydrophobicContact CG1-CE2 4.33Å; I364-F388 HydrophobicContact CG1-CG 4.4Å; I364-F388 HydrophobicContact CG2-CD2 4.45Å; I364-F388 HydrophobicContact CG2-CE2 3.86Å; I364-F388 HydrophobicContact CG2-CZ 3.98Å; I364-M391 HydrophobicContact CD1-CE 3.17Å; I364-M391 HydrophobicContact CD1-SD 4.41Å; I364-M391 HydrophobicContact CG1-CE 4.45Å; I364-A545 HydrophobicContact CB-CB 4.45Å; I364-A545 HydrophobicContact CG1-CB 3.93Å
365	V	94.7	Very high	90.7	Very high	61 Å²	61	40.2 Å²	40.2	37%	0.37	23%	0.226	S	C	.	.			trans	-74.7	137.2	172.8	-178	0	0	0	0	108.4	Y350 G367 V544 A545	Y350-V365 VanDerWaalsContact CE2-O 3.24Å; Y350-V365 WeakPolarHBondContact CE2-O 3.25Å; V365-G367 PolarHBondContact O-N 3.45Å; V365-V544 HydrophobicContact CG2-CG1 3.73Å; V365-A545 PolarHBondContact N-O 2.95Å
366	A	92.7	Very high	90.9	Very high	55 Å²	55	38.9 Å²	38.9	46%	0.455	22%	0.22	S	C	.	.			trans	-52.9	141.3	176.7	0	0	0	0	0	110.9	Y350 S547	Y350-A366 WeakPolarHBondContact O-CA 3.37Å; A366-S547 WeakPolarHBondContact O-CB 3.28Å
367	G	92.1	Very high	91	Very high	5 Å²	5	33.2 Å²	33.2	5%	0.052	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	162.1	-176.9	0	0	0	0	0	112.1	K349 Y350 V365	K349-G367 WeakPolarHBondContact CA-O 3.15Å; Y350-G367 PolarHBondContact N-O 2.81Å; Y350-G367 PolarHBondContact O-N 3.04Å; Y350-G367 VanDerWaalsContact O-N 3.16Å; V365-G367 PolarHBondContact O-N 3.45Å
368	E	90.2	Very high	91.3	Very high	75 Å²	75	29.4 Å²	29.4	35%	0.35	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	141.5	-179.6	-47.6	-168.3	174.4	0	0	109	M347 Y348 K349 R531	M347-E368 HydrophobicContact CE-CB 4.03Å; M347-E368 WeakPolarHBondContact CE-OE2 3.44Å; Y348-E368 WeakPolarHBondContact O-CA 3.42Å; K349-E368 HydrophobicContact CD-CG 3.89Å; K349-E368 WeakPolarHBondContact CD-OE1 3.48Å; K349-E368 WeakPolarHBondContact CE-OE1 3.29Å; K349-E368 HydrophobicContact CG-CB 4.32Å; K349-E368 HydrophobicContact CG-CG 3.84Å; K349-E368 IonicContact NZ-OE1 3.25Å; K349-E368 PolarHBondContact NZ-OE1 2.71Å; K349-E368 IonicContact NZ-OE2 2.65Å; E368-R531 PolarHBondContact O-NH1 3.38Å
369	F	90	Very high	91.5	Very high	6 Å²	6	26.5 Å²	26.5	3%	0.026	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	154.4	176.5	63.8	-87.9	0	0	0	111.4	Y348 Y350 E373 L407 V482 T514 F516	Y348-F369 HydrophobicContact CD2-CD2 4.01Å; Y348-F369 AromaticContact CD2-CE2 3.65Å; Y348-F369 HydrophobicContact CD2-CE2 3.65Å; Y348-F369 HydrophobicContact CD2-CZ 4.38Å; Y348-F369 HydrophobicContact CG-CD2 4.32Å; Y348-F369 AromaticContact CG-CE2 3.72Å; Y348-F369 HydrophobicContact CG-CE2 3.72Å; Y348-F369 AromaticContact CG-CZ 3.98Å; Y348-F369 HydrophobicContact CG-CZ 3.98Å; Y348-F369 PolarHBondContact N-O 2.81Å; Y348-F369 PolarHBondContact O-N 2.92Å; Y348-F369 VanDerWaalsContact O-O 3.14Å; Y350-F369 AromaticContact CD1-CD1 3.88Å; Y350-F369 HydrophobicContact CD1-CD1 3.88Å; Y350-F369 AromaticContact CD1-CE1 4Å; Y350-F369 HydrophobicContact CD1-CE1 4Å; Y350-F369 HydrophobicContact CE1-CD1 4.32Å; F369-E373 WeakPolarHBondContact CA-OE1 3.38Å; F369-E373 WeakPolarHBondContact CB-OE1 3.48Å; F369-L407 HydrophobicContact CE2-CD1 4.33Å; F369-L407 HydrophobicContact CZ-CD1 3.94Å; F369-V482 HydrophobicContact CE2-CG2 4.15Å; F369-V482 HydrophobicContact CZ-CG2 4.43Å; F369-T514 HydrophobicContact CB-CG2 4.43Å; F369-T514 HydrophobicContact CD2-CG2 3.69Å; F369-T514 HydrophobicContact CE2-CG2 4.33Å; F369-T514 HydrophobicContact CG-CG2 4.38Å; F369-F516 HydrophobicContact CD1-CE2 4.49Å; F369-F516 HydrophobicContact CD1-CZ 4.05Å; F369-F516 HydrophobicContact CE1-CZ 4.38Å; F369-F516 HydrophobicContact CG-CE2 4.44Å; F369-F516 HydrophobicContact CG-CZ 4.22Å
370	T	86.5	Confident	91.6	Very high	4 Å²	4	20.5 Å²	20.5	3%	0.025	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	166.9	-176.3	75.2	0	0	0	0	111.5	K344 M347 E373 T514	K344-T370 HydrophobicContact CB-CG2 4.31Å; K344-T370 HydrophobicContact CD-CG2 3.69Å; K344-T370 HydrophobicContact CG-CG2 4.16Å; M347-T370 HydrophobicContact CE-CG2 4.1Å; M347-T370 HydrophobicContact SD-CG2 3.22Å; M347-T370 WeakPolarHBondContact SD-CG2 3.36Å; T370-E373 PolarHBondContact N-OE1 3.43Å; T370-E373 PolarHBondContact OG1-OE2 3.48Å; T370-T514 PolarHBondContact O-OG1 2.77Å
371	D	81.8	Confident	91.6	Very high	19 Å²	19	21.4 Å²	21.4	10%	0.102	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	144.2	157.9	55.4	-24.3	0	0	0	110.4	K344 M345 C346	K344-D371 WeakPolarHBondContact CA-OD1 3.19Å; M345-D371 PolarHBondContact N-OD1 2.85Å; M345-D371 PolarHBondContact N-OD2 3.17Å; C346-D371 PolarHBondContact N-OD1 2.86Å; C346-D371 PolarHBondContact O-N 3.4Å
372	S	86.1	Confident	91.2	Very high	20 Å²	20	19.6 Å²	19.6	14%	0.14	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.1	33.2	176.6	-38.9	0	0	0	0	116.8	K512 K513	S372-K512 VanDerWaalsContact OG-CA 3.23Å; S372-K512 WeakPolarHBondContact OG-CA 3.38Å; S372-K512 WeakPolarHBondContact OG-CB 3.43Å; S372-K513 WeakPolarHBondContact CA-O 3.47Å; S372-K513 PolarHBondContact N-O 2.98Å
373	E	90.2	Very high	90.9	Very high	5 Å²	5	19.7 Å²	19.7	2%	0.023	13%	0.127	C	C	.	.			trans	-129.9	154.2	173.1	71.8	178.9	-173.6	0	0	113.7	F369 T370 T514 A515 D530	F369-E373 WeakPolarHBondContact CA-OE1 3.38Å; F369-E373 WeakPolarHBondContact CB-OE1 3.48Å; T370-E373 PolarHBondContact N-OE1 3.43Å; T370-E373 PolarHBondContact OG1-OE2 3.48Å; E373-T514 HydrophobicContact CG-CG2 4.12Å; E373-T514 WeakPolarHBondContact O-CA 3.13Å; E373-T514 WeakPolarHBondContact O-CG2 3.3Å; E373-A515 PolarHBondContact O-N 2.93Å; E373-D530 WeakPolarHBondContact CA-OD2 3.42Å; E373-D530 HydrophobicContact CB-CB 4.34Å
374	I	93.7	Very high	90.7	Very high	2 Å²	2	18.9 Å²	18.9	1%	0.01	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	114.7	177.7	-57.3	178.2	0	0	0	109.6	V376 V504 K505 I508 A515 V517 L528 D530 R531	I374-V376 HydrophobicContact CG2-CG2 4.27Å; I374-V504 HydrophobicContact CD1-CG1 4.45Å; I374-K505 HydrophobicContact CD1-CB 4.26Å; I374-K505 HydrophobicContact CD1-CG 4.27Å; I374-I508 HydrophobicContact CD1-CB 4.18Å; I374-I508 HydrophobicContact CD1-CG1 4.41Å; I374-I508 HydrophobicContact CD1-CG2 4.3Å; I374-I508 HydrophobicContact CG1-CB 4.25Å; I374-I508 HydrophobicContact CG1-CG1 4.5Å; I374-I508 HydrophobicContact CG1-CG2 3.84Å; I374-A515 WeakPolarHBondContact CA-O 3.36Å; I374-A515 HydrophobicContact CG1-CB 4.33Å; I374-A515 HydrophobicContact CG2-CB 4.42Å; I374-V517 HydrophobicContact CG2-CG2 3.97Å; I374-L528 VanDerWaalsContact CB-O 3.3Å; I374-L528 WeakPolarHBondContact CB-O 3.35Å; I374-L528 HydrophobicContact CD1-CD2 4.31Å; I374-L528 HydrophobicContact CG2-CB 4.24Å; I374-L528 WeakPolarHBondContact CG2-O 3.27Å; I374-D530 PolarHBondContact N-OD2 2.99Å; I374-D530 PolarHBondContact O-N 3.2Å; I374-R531 PolarHBondContact O-N 2.94Å
375	M	94.1	Very high	90.6	Very high	0 Å²	0	19 Å²	19	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	112.5	174.4	-65.1	-57.4	-41.9	0	0	109.7	A515 F516 V517 R531 I533 P548	M375-A515 PolarHBondContact N-O 3.04Å; M375-F516 HydrophobicContact CB-CD1 3.67Å; M375-F516 HydrophobicContact CB-CE1 3.84Å; M375-F516 HydrophobicContact CB-CG 4.12Å; M375-F516 HydrophobicContact CB-CZ 4.42Å; M375-F516 HydrophobicContact CG-CD1 4.21Å; M375-F516 HydrophobicContact CG-CE1 3.88Å; M375-F516 HydrophobicContact CG-CZ 4.06Å; M375-F516 CarbonylContact O-C 3.49Å; M375-F516 VanDerWaalsContact O-CA 3.32Å; M375-F516 WeakPolarHBondContact O-CA 3.45Å; M375-V517 PolarHBondContact O-N 3.18Å; M375-R531 WeakPolarHBondContact CA-O 3.16Å; M375-R531 HydrophobicContact CE-CB 3.51Å; M375-R531 HydrophobicContact SD-CB 3.39Å; M375-R531 WeakPolarHBondContact SD-CB 3.39Å; M375-R531 HydrophobicContact SD-CG 4.24Å; M375-I533 HydrophobicContact CE-CD1 3.81Å; M375-I533 HydrophobicContact CE-CG1 3.44Å; M375-I533 VanDerWaalsContact CE-CG1 3.44Å; M375-P548 HydrophobicContact CE-CB 3.37Å; M375-P548 HydrophobicContact CE-CG 3.7Å; M375-P548 HydrophobicContact SD-CB 4.01Å; M375-P548 HydrophobicContact SD-CG 4.32Å
376	V	95.5	Very high	90.4	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	127.5	173.4	176.8	0	0	0	0	110.4	I374 L378 V517 E519 A525 L528 A529 R531 V532 I533	I374-V376 HydrophobicContact CG2-CG2 4.27Å; V376-L378 HydrophobicContact CG1-CD2 3.84Å; V376-L378 HydrophobicContact CG1-CG 4.24Å; V376-V517 CarbonylContact C-O 3.6Å; V376-V517 WeakPolarHBondContact CA-O 3.38Å; V376-V517 HydrophobicContact CG2-CB 4.36Å; V376-E519 HydrophobicContact CG1-CB 4.43Å; V376-A525 HydrophobicContact CG1-CB 4.03Å; V376-L528 HydrophobicContact CG2-CB 4.09Å; V376-A529 HydrophobicContact CB-CB 3.82Å; V376-A529 HydrophobicContact CG2-CB 3.53Å; V376-R531 PolarHBondContact N-O 3.21Å; V376-V532 CarbonylContact O-C 3.54Å; V376-V532 VanDerWaalsContact O-CA 3.27Å; V376-V532 WeakPolarHBondContact O-CA 3.37Å; V376-I533 PolarHBondContact O-N 3.43Å
377	M	95.4	Very high	90.3	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	121.7	177	-72.9	170.1	-75.7	0	0	110.5	F388 I389 F516 V517 V518 I533 F535	M377-F388 HydrophobicContact SD-CD1 3.65Å; M377-F388 HydrophobicContact SD-CE1 4.19Å; M377-I389 HydrophobicContact CE-CD1 3.71Å; M377-I389 HydrophobicContact CE-CG1 3.62Å; M377-I389 HydrophobicContact SD-CG1 4.32Å; M377-F516 HydrophobicContact CE-CB 3.71Å; M377-F516 HydrophobicContact CE-CD1 4.32Å; M377-V517 PolarHBondContact N-O 2.83Å; M377-V518 HydrophobicContact CB-CG2 4.23Å; M377-V518 HydrophobicContact CE-CG2 3.65Å; M377-V518 HydrophobicContact SD-CG2 4.38Å; M377-I533 WeakPolarHBondContact CA-O 3.24Å; M377-I533 HydrophobicContact CG-CB 3.98Å; M377-I533 HydrophobicContact CG-CD1 4.3Å; M377-I533 HydrophobicContact CG-CG2 4.37Å; M377-F535 HydrophobicContact CB-CE2 3.96Å; M377-F535 HydrophobicContact CG-CE2 3.96Å; M377-F535 HydrophobicContact SD-CE2 4.29Å; M377-F535 HydrophobicContact SD-CZ 4.47Å
378	L	92.8	Very high	90.4	Very high	2 Å²	2	15.2 Å²	15.2	1%	0.01	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	139.7	179.6	-58.4	178.2	0	0	0	110.6	V376 A525 V532 I533 F535 M555 F558	V376-L378 HydrophobicContact CG1-CD2 3.84Å; V376-L378 HydrophobicContact CG1-CG 4.24Å; L378-A525 HydrophobicContact CD2-CB 4.28Å; L378-V532 HydrophobicContact CB-CG1 4.4Å; L378-V532 HydrophobicContact CD1-CG1 3.51Å; L378-V532 HydrophobicContact CG-CG1 3.84Å; L378-I533 PolarHBondContact N-O 3.18Å; L378-F535 WeakPolarHBondContact O-CD2 3.48Å; L378-F535 PolarHBondContact O-N 3.25Å; L378-M555 HydrophobicContact CD1-CE 3.59Å; L378-M555 HydrophobicContact CD1-SD 3.43Å; L378-M555 WeakPolarHBondContact CD1-SD 3.31Å; L378-F558 HydrophobicContact CB-CD1 4.15Å; L378-F558 HydrophobicContact CB-CD2 3.98Å; L378-F558 HydrophobicContact CB-CE1 4.22Å; L378-F558 HydrophobicContact CB-CE2 4.08Å; L378-F558 HydrophobicContact CB-CG 4Å; L378-F558 HydrophobicContact CB-CZ 4.18Å; L378-F558 HydrophobicContact CD1-CB 4.38Å; L378-F558 HydrophobicContact CD1-CD1 3.81Å; L378-F558 HydrophobicContact CD1-CE1 4.3Å; L378-F558 HydrophobicContact CD1-CG 4.12Å
379	G	91.2	Very high	90.4	Very high	2 Å²	2	11.7 Å²	11.7	2%	0.021	7%	0.074	C	C	.	.			trans	165.8	164.2	-180	0	0	0	0	0	111.7	K385 H520	G379-K385 PolarHBondContact O-NZ 3.38Å; G379-H520 PolarHBondContact O-CE1 2.84Å
380	E	89.9	Confident	90.4	Very high	44 Å²	44	17.3 Å²	17.3	21%	0.206	10%	0.096	C	C	.	.			trans	-64.3	161.9	174.9	-64.9	-177.7	-147.2	0	0	112	K250 T383 K385 P539	K250-E380 HydrophobicContact CB-CG 4.34Å; K250-E380 HydrophobicContact CD-CG 4.11Å; K250-E380 WeakPolarHBondContact CD-OE1 3.27Å; K250-E380 WeakPolarHBondContact CD-OE2 3.32Å; K250-E380 VanDerWaalsContact NZ-CD 3.33Å; K250-E380 IonicContact NZ-OE1 3.98Å; K250-E380 PolarHBondContact NZ-OE1 3.14Å; K250-E380 IonicContact NZ-OE2 3.88Å; K250-E380 PolarHBondContact NZ-OE2 2.69Å; E380-T383 HydrophobicContact CB-CG2 3.96Å; E380-T383 WeakPolarHBondContact O-CG2 3.4Å; E380-T383 PolarHBondContact O-N 2.8Å; E380-T383 PolarHBondContact O-OG1 2.81Å; E380-K385 VanDerWaalsContact C-NZ 3.27Å; E380-K385 PolarHBondContact O-NZ 2.74Å; E380-P539 HydrophobicContact CB-CG 3.97Å; E380-P539 WeakPolarHBondContact OE2-CG 3.43Å
381	N	88.3	Confident	90.6	Very high	41 Å²	41	17.3 Å²	17.3	22%	0.219	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	137	171.1	-77.1	-20.6	0	0	0	109.9	Y246 D248 Q251 H520 P539	Y246-N381 PolarHBondContact O-ND2 2.89Å; Y246-N381 VanDerWaalsContact O-ND2 3.16Å; D248-N381 HydrophobicContact CB-CB 4.4Å; D248-N381 PolarHBondContact N-ND2 3.16Å; D248-N381 WeakPolarHBondContact OD2-CB 3.31Å; D248-N381 PolarHBondContact OD2-N 3.14Å; Q251-N381 PolarHBondContact OE1-ND2 3.34Å; N381-H520 PolarHBondContact OD1-NE2 3.39Å; N381-P539 WeakPolarHBondContact O-CB 3.14Å
382	G	85.6	Confident	90.9	Very high	37 Å²	37	17.2 Å²	17.2	38%	0.381	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	85	7.8	-175.2	0	0	0	0	0	115	F360 G384 S540	F360-G382 VanDerWaalsContact CE2-O 3.32Å; F360-G382 WeakPolarHBondContact CE2-O 3.17Å; G382-G384 VanDerWaalsContact C-N 3.29Å; G382-S540 PolarHBondContact O-N 2.8Å
383	T	89.6	Confident	90.9	Very high	4 Å²	4	17.3 Å²	17.3	3%	0.025	10%	0.097	C	C	.	.	S	Bend	trans	-85.1	2.8	171.9	63.5	0	0	0	0	114.3	E380 F535 P539 T543	E380-T383 HydrophobicContact CB-CG2 3.96Å; E380-T383 WeakPolarHBondContact O-CG2 3.4Å; E380-T383 PolarHBondContact O-N 2.8Å; E380-T383 PolarHBondContact O-OG1 2.81Å; T383-F535 HydrophobicContact CG2-CB 4.45Å; T383-F535 WeakPolarHBondContact O-CD1 3.41Å; T383-F535 WeakPolarHBondContact O-CE1 3.19Å; T383-P539 HydrophobicContact CG2-CG 4.37Å; T383-T543 HydrophobicContact CG2-CG2 4.17Å; T383-T543 PolarHBondContact O-OG1 3.06Å; T383-T543 VanDerWaalsContact O-OG1 3.13Å
384	G	89.8	Confident	90.7	Very high	7 Å²	7	20.1 Å²	20.1	7%	0.072	13%	0.127	C	C	.	.	S	Bend	trans	86.6	16.5	175.6	0	0	0	0	0	115.9	G382 T386 T387 F388	G382-G384 VanDerWaalsContact C-N 3.29Å; G384-T386 PolarHBondContact O-N 3.41Å; G384-T387 CarbonylContact O-C 3.55Å; G384-T387 WeakPolarHBondContact O-CA 3.3Å; G384-T387 VanDerWaalsContact O-CB 3.23Å; G384-T387 WeakPolarHBondContact O-CB 3.37Å; G384-T387 PolarHBondContact O-N 3.49Å; G384-F388 PolarHBondContact O-N 3.33Å
385	K	92.3	Very high	90.2	Very high	9 Å²	9	28.4 Å²	28.4	4%	0.039	16%	0.158	C	C	.	.	H	α-helix	trans	-52	-52.4	175	-53.3	-177.6	-63	-98.7	0	112.8	G379 E380 T387 F388 I389 V518 H520 F535	G379-K385 PolarHBondContact O-NZ 3.38Å; E380-K385 VanDerWaalsContact C-NZ 3.27Å; E380-K385 PolarHBondContact O-NZ 2.74Å; K385-T387 VanDerWaalsContact C-N 3.29Å; K385-T387 PolarHBondContact O-N 2.74Å; K385-F388 PolarHBondContact O-N 3.44Å; K385-I389 PolarHBondContact O-N 2.94Å; K385-V518 HydrophobicContact CB-CG1 4.3Å; K385-V518 HydrophobicContact CB-CG2 3.92Å; K385-V518 HydrophobicContact CD-CG1 3.94Å; K385-H520 WeakPolarHBondContact CE-CE1 3.27Å; K385-H520 WeakPolarHBondContact CE-NE2 3.27Å; K385-H520 PolarHBondContact NZ-CE1 2.82Å; K385-H520 PolarHBondContact NZ-NE2 2.99Å; K385-F535 HydrophobicContact CB-CZ 4.35Å; K385-F535 HydrophobicContact CG-CD1 4.48Å; K385-F535 HydrophobicContact CG-CD2 4.11Å; K385-F535 HydrophobicContact CG-CE1 4.35Å; K385-F535 HydrophobicContact CG-CE2 4.01Å; K385-F535 HydrophobicContact CG-CG 4.34Å; K385-F535 HydrophobicContact CG-CZ 4.11Å
386	T	91.1	Very high	89.9	Confident	27 Å²	27	30.6 Å²	30.6	17%	0.166	17%	0.17	C	C	.	.	H	α-helix	trans	-64.4	-33.5	175.5	-55.2	0	0	0	0	111.9	G384 I389 R390 D486	G384-T386 PolarHBondContact O-N 3.41Å; T386-I389 PolarHBondContact O-N 3.09Å; T386-R390 WeakPolarHBondContact O-CB 3.47Å; T386-R390 VanDerWaalsContact O-CG 3.26Å; T386-R390 WeakPolarHBondContact O-CG 3.41Å; T386-R390 PolarHBondContact O-N 2.67Å; T386-D486 WeakPolarHBondContact CG2-OD2 3.38Å; T386-D486 PolarHBondContact OG1-OD2 2.92Å
387	T	91.2	Very high	89.5	Confident	16 Å²	16	38.6 Å²	38.6	10%	0.098	21%	0.205	C	C	.	.	H	α-helix	trans	-63.7	-45	174.6	-47.8	0	0	0	0	110.5	K355 M357 L362 G384 K385 R390 M391 L396	K355-T387 HydrophobicContact CG-CG2 4.37Å; M357-T387 HydrophobicContact CE-CG2 3.57Å; M357-T387 VanDerWaalsContact CE-OG1 3.31Å; M357-T387 WeakPolarHBondContact CE-OG1 3.47Å; M357-T387 HydrophobicContact SD-CG2 4.07Å; L362-T387 HydrophobicContact CD2-CG2 4.13Å; G384-T387 CarbonylContact O-C 3.55Å; G384-T387 WeakPolarHBondContact O-CA 3.3Å; G384-T387 VanDerWaalsContact O-CB 3.23Å; G384-T387 WeakPolarHBondContact O-CB 3.37Å; G384-T387 PolarHBondContact O-N 3.49Å; K385-T387 VanDerWaalsContact C-N 3.29Å; K385-T387 PolarHBondContact O-N 2.74Å; T387-R390 PolarHBondContact O-N 3.08Å; T387-M391 HydrophobicContact CG2-CE 4.13Å; T387-M391 WeakPolarHBondContact O-CG 3.31Å; T387-M391 PolarHBondContact O-N 3.15Å; T387-L396 HydrophobicContact CG2-CD2 3.51Å
388	F	92.7	Very high	89.2	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-61.3	-47.7	176.2	-176.2	-155.2	0	0	0	111.4	Y350 M353 L362 I364 M377 G384 K385 R390 M391 L392 I533 F535	Y350-F388 HydrophobicContact CD2-CE2 4.49Å; Y350-F388 HydrophobicContact CD2-CZ 4.29Å; Y350-F388 HydrophobicContact CE1-CZ 4.4Å; Y350-F388 HydrophobicContact CE2-CE2 4.38Å; Y350-F388 AromaticContact CE2-CZ 3.81Å; Y350-F388 HydrophobicContact CE2-CZ 3.81Å; Y350-F388 AromaticContact CZ-CZ 3.86Å; M353-F388 HydrophobicContact CE-CE2 4.26Å; L362-F388 HydrophobicContact CD2-CB 4.47Å; I364-F388 HydrophobicContact CD1-CB 4.26Å; I364-F388 HydrophobicContact CD1-CD2 3.28Å; I364-F388 HydrophobicContact CD1-CE2 3.75Å; I364-F388 HydrophobicContact CD1-CG 3.9Å; I364-F388 HydrophobicContact CG1-CD2 4.09Å; I364-F388 HydrophobicContact CG1-CE2 4.33Å; I364-F388 HydrophobicContact CG1-CG 4.4Å; I364-F388 HydrophobicContact CG2-CD2 4.45Å; I364-F388 HydrophobicContact CG2-CE2 3.86Å; I364-F388 HydrophobicContact CG2-CZ 3.98Å; M377-F388 HydrophobicContact SD-CD1 3.65Å; M377-F388 HydrophobicContact SD-CE1 4.19Å; G384-F388 PolarHBondContact O-N 3.33Å; K385-F388 PolarHBondContact O-N 3.44Å; F388-R390 VanDerWaalsContact C-N 3.3Å; F388-R390 PolarHBondContact O-N 3.33Å; F388-M391 PolarHBondContact O-N 2.66Å; F388-M391 VanDerWaalsContact O-N 3.13Å; F388-L392 HydrophobicContact CD2-CD1 4.08Å; F388-L392 HydrophobicContact CD2-CG 3.91Å; F388-L392 HydrophobicContact CE1-CD1 4.32Å; F388-L392 HydrophobicContact CE2-CD1 3.73Å; F388-L392 HydrophobicContact CE2-CD2 3.82Å; F388-L392 HydrophobicContact CE2-CG 3.63Å; F388-L392 HydrophobicContact CZ-CD1 3.87Å; F388-L392 HydrophobicContact CZ-CD2 4.38Å; F388-L392 HydrophobicContact CZ-CG 4.26Å; F388-L392 PolarHBondContact O-N 3.05Å; F388-I533 HydrophobicContact CE1-CD1 3.95Å; F388-F535 HydrophobicContact CB-CE1 4.48Å; F388-F535 HydrophobicContact CB-CZ 4.05Å; F388-F535 HydrophobicContact CD1-CE2 4.42Å; F388-F535 AromaticContact CD1-CZ 3.78Å; F388-F535 HydrophobicContact CD1-CZ 3.78Å; F388-F535 HydrophobicContact CG-CZ 4.36Å
389	I	91.5	Very high	89	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-54.3	-45.3	172.5	-82.3	-172.5	0	0	0	111.9	M377 K385 T386 M391 L392 A393 Y411 L484 D486 V518	M377-I389 HydrophobicContact CE-CD1 3.71Å; M377-I389 HydrophobicContact CE-CG1 3.62Å; M377-I389 HydrophobicContact SD-CG1 4.32Å; K385-I389 PolarHBondContact O-N 2.94Å; T386-I389 PolarHBondContact O-N 3.09Å; I389-M391 VanDerWaalsContact C-N 3.3Å; I389-M391 PolarHBondContact O-N 3.22Å; I389-L392 PolarHBondContact O-N 2.95Å; I389-A393 WeakPolarHBondContact O-CB 3.26Å; I389-A393 PolarHBondContact O-N 2.81Å; I389-Y411 HydrophobicContact CG2-CD2 3.7Å; I389-Y411 HydrophobicContact CG2-CE2 3.25Å; I389-L484 HydrophobicContact CG2-CB 4.11Å; I389-L484 HydrophobicContact CG2-CD1 4.06Å; I389-L484 VanDerWaalsContact O-CD1 3.29Å; I389-L484 WeakPolarHBondContact O-CD1 3.41Å; I389-D486 HydrophobicContact CD1-CB 4.05Å; I389-V518 HydrophobicContact CD1-CB 4.48Å; I389-V518 HydrophobicContact CD1-CG2 3.47Å; I389-V518 VanDerWaalsContact CD1-CG2 3.47Å; I389-V518 HydrophobicContact CG1-CG2 4.33Å
390	R	90.1	Very high	88.8	Confident	125 Å²	125	49.8 Å²	49.8	47%	0.472	26%	0.262	S	S	.	.	H	α-helix	trans	-67.3	-31.9	-179.4	-73.9	173.5	-175.1	-179.4	5.7	112.7	T386 T387 F388 G394 R395 L396	T386-R390 WeakPolarHBondContact O-CB 3.47Å; T386-R390 VanDerWaalsContact O-CG 3.26Å; T386-R390 WeakPolarHBondContact O-CG 3.41Å; T386-R390 PolarHBondContact O-N 2.67Å; T387-R390 PolarHBondContact O-N 3.08Å; F388-R390 VanDerWaalsContact C-N 3.3Å; F388-R390 PolarHBondContact O-N 3.33Å; R390-G394 PolarHBondContact O-N 2.87Å; R390-R395 PolarHBondContact O-N 3.42Å; R390-L396 HydrophobicContact CB-CB 4.03Å; R390-L396 PolarHBondContact O-N 3.2Å; R390-L396 VanDerWaalsContact O-N 3.15Å
391	M	89.4	Confident	88.1	Confident	4 Å²	4	50.1 Å²	50.1	2%	0.02	28%	0.278	C	S	.	.	H	α-helix	trans	-69.6	-45.7	172.9	-70	-174.8	-68.1	0	0	111.4	K355 L362 I364 T387 F388 I389 A393 G394 L396 P398	K355-M391 HydrophobicContact CB-CE 4.3Å; K355-M391 HydrophobicContact CB-SD 3.83Å; K355-M391 HydrophobicContact CD-SD 4.35Å; K355-M391 HydrophobicContact CG-SD 4.23Å; L362-M391 HydrophobicContact CD2-CE 3.73Å; I364-M391 HydrophobicContact CD1-CE 3.17Å; I364-M391 HydrophobicContact CD1-SD 4.41Å; I364-M391 HydrophobicContact CG1-CE 4.45Å; T387-M391 HydrophobicContact CG2-CE 4.13Å; T387-M391 WeakPolarHBondContact O-CG 3.31Å; T387-M391 PolarHBondContact O-N 3.15Å; F388-M391 PolarHBondContact O-N 2.66Å; F388-M391 VanDerWaalsContact O-N 3.13Å; I389-M391 VanDerWaalsContact C-N 3.3Å; I389-M391 PolarHBondContact O-N 3.22Å; M391-A393 PolarHBondContact O-N 3.34Å; M391-G394 PolarHBondContact O-N 3.34Å; M391-L396 WeakPolarHBondContact CA-O 3.4Å; M391-L396 HydrophobicContact CG-CB 3.98Å; M391-L396 HydrophobicContact CG-CD2 4.01Å; M391-L396 HydrophobicContact CG-CG 4.14Å; M391-L396 WeakPolarHBondContact CG-O 3.32Å; M391-P398 HydrophobicContact SD-CB 4.34Å
392	L	88.3	Confident	87.3	Confident	16 Å²	16	50 Å²	50	8%	0.084	29%	0.286	C	S	.	.	H	α-helix	trans	-60.5	-34.1	173.1	-69.1	176.6	0	0	0	112.3	F388 I389 G394 V404 L484 F516	F388-L392 HydrophobicContact CD2-CD1 4.08Å; F388-L392 HydrophobicContact CD2-CG 3.91Å; F388-L392 HydrophobicContact CE1-CD1 4.32Å; F388-L392 HydrophobicContact CE2-CD1 3.73Å; F388-L392 HydrophobicContact CE2-CD2 3.82Å; F388-L392 HydrophobicContact CE2-CG 3.63Å; F388-L392 HydrophobicContact CZ-CD1 3.87Å; F388-L392 HydrophobicContact CZ-CD2 4.38Å; F388-L392 HydrophobicContact CZ-CG 4.26Å; F388-L392 PolarHBondContact O-N 3.05Å; I389-L392 PolarHBondContact O-N 2.95Å; L392-G394 PolarHBondContact O-N 2.89Å; L392-V404 HydrophobicContact CD2-CG1 4.1Å; L392-L484 HydrophobicContact CB-CD1 4.09Å; L392-L484 HydrophobicContact CB-CD2 4.28Å; L392-L484 HydrophobicContact CD1-CD2 4.3Å; L392-F516 HydrophobicContact CD1-CD1 3.92Å; L392-F516 HydrophobicContact CD1-CD2 4.3Å; L392-F516 HydrophobicContact CD1-CE1 3.99Å; L392-F516 HydrophobicContact CD1-CE2 4.36Å; L392-F516 HydrophobicContact CD1-CG 4.08Å; L392-F516 HydrophobicContact CD1-CZ 4.21Å
393	A	87	Confident	86.6	Confident	23 Å²	23	56.4 Å²	56.4	19%	0.19	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-3.2	175.8	0	0	0	0	0	114.4	I389 M391 R395 V409 L484	I389-A393 WeakPolarHBondContact O-CB 3.26Å; I389-A393 PolarHBondContact O-N 2.81Å; M391-A393 PolarHBondContact O-N 3.34Å; A393-R395 HydrophobicContact CB-CG 4.13Å; A393-R395 PolarHBondContact O-N 3.24Å; A393-V409 HydrophobicContact CB-CG1 4.35Å; A393-L484 HydrophobicContact CB-CD1 3.66Å
394	G	85	Confident	85.8	Confident	64 Å²	64	58 Å²	58	66%	0.66	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.8	11.5	-173.2	0	0	0	0	0	114.6	R390 M391 L392	R390-G394 PolarHBondContact O-N 2.87Å; M391-G394 PolarHBondContact O-N 3.34Å; L392-G394 PolarHBondContact O-N 2.89Å
395	R	84.6	Confident	84.9	Confident	175 Å²	175	60 Å²	60	66%	0.66	33%	0.328	S	S	*	.	S	Bend	trans	-85.4	-15.7	179.2	-67.1	-170.6	-179.8	-174.4	3.5	113.2	R390 A393	R390-R395 PolarHBondContact O-N 3.42Å; A393-R395 HydrophobicContact CB-CG 4.13Å; A393-R395 PolarHBondContact O-N 3.24Å
396	L	86.8	Confident	83.9	Confident	47 Å²	47	66.8 Å²	66.8	25%	0.246	37%	0.369	C	S	.	.	S	Bend	trans	-134.6	126.1	177	-172.7	67.5	0	0	0	108.6	K355 M357 T387 R390 M391	K355-L396 HydrophobicContact CD-CD2 4.29Å; K355-L396 HydrophobicContact CD-CG 4.38Å; K355-L396 HydrophobicContact CG-CD2 4.26Å; M357-L396 HydrophobicContact SD-CD2 4.35Å; T387-L396 HydrophobicContact CG2-CD2 3.51Å; R390-L396 HydrophobicContact CB-CB 4.03Å; R390-L396 PolarHBondContact O-N 3.2Å; R390-L396 VanDerWaalsContact O-N 3.15Å; M391-L396 WeakPolarHBondContact CA-O 3.4Å; M391-L396 HydrophobicContact CG-CB 3.98Å; M391-L396 HydrophobicContact CG-CD2 4.01Å; M391-L396 HydrophobicContact CG-CG 4.14Å; M391-L396 WeakPolarHBondContact CG-O 3.32Å
397	K	87.8	Confident	83.3	Confident	167 Å²	167	67.3 Å²	67.3	73%	0.726	37%	0.371	S	S	*	.			trans	-81.5	135.8	176.1	-65.1	-172.2	177.5	-170	0	110.4	K355	K355-K397 VanDerWaalsContact CD-O 3.29Å; K355-K397 WeakPolarHBondContact CD-O 3.42Å; K355-K397 WeakPolarHBondContact CE-O 3.38Å; K355-K397 PolarHBondContact NZ-O 3.47Å
398	P	88.2	Confident	83.2	Confident	38 Å²	38	71.9 Å²	71.9	25%	0.247	40%	0.395	C	S	.	.			trans	-65	155.7	169.7	30.3	-34.3	0	0	0	110.3	M353 M391	M353-P398 HydrophobicContact CB-CB 4.07Å; M353-P398 HydrophobicContact CG-CB 4.12Å; M353-P398 HydrophobicContact CG-CG 4.33Å; M353-P398 HydrophobicContact SD-CB 4.22Å; M353-P398 HydrophobicContact SD-CG 4.12Å; M391-P398 HydrophobicContact SD-CB 4.34Å
399	D	89.6	Confident	83.1	Confident	91 Å²	91	73.5 Å²	73.5	49%	0.487	41%	0.405	S	S	.	.	S	Bend	trans	-88.1	-36.8	175.6	-59.7	-43.6	0	0	0	111.1	K354 K355 K356	K354-D399 PolarHBondContact O-N 3.39Å; K355-D399 WeakPolarHBondContact CA-OD2 3.44Å; K355-D399 VanDerWaalsContact CD-OD2 3.32Å; K355-D399 WeakPolarHBondContact CD-OD2 3.29Å; K355-D399 WeakPolarHBondContact CE-OD2 3.45Å; K355-D399 IonicContact NZ-OD1 3.08Å; K355-D399 PolarHBondContact NZ-OD1 3.38Å; K355-D399 IonicContact NZ-OD2 3.97Å; K355-D399 PolarHBondContact NZ-OD2 3.31Å; K356-D399 PolarHBondContact N-OD2 3.36Å
400	E	85.7	Confident	83.2	Confident	110 Å²	110	73.7 Å²	73.7	51%	0.514	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	148.4	172.6	-58.1	178	179.5	0	0	109.6	M353 K354	M353-E400 CarbonylContact C-O 3.49Å; M353-E400 VanDerWaalsContact CA-O 3.29Å; M353-E400 WeakPolarHBondContact CA-O 3.3Å; K354-E400 HydrophobicContact CB-CB 4.15Å; K354-E400 WeakPolarHBondContact CD-OE2 3.23Å; K354-E400 WeakPolarHBondContact CE-OE2 3.18Å; K354-E400 PolarHBondContact N-O 3.03Å; K354-E400 IonicContact NZ-OE2 3.63Å; K354-E400 PolarHBondContact NZ-OE2 2.96Å; K354-E400 PolarHBondContact O-N 2.91Å
401	G	75.9	Confident	83.3	Confident	51 Å²	51	69.1 Å²	69.1	53%	0.526	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	107.7	158.2	-179.3	0	0	0	0	0	113.6	G352	G352-G401 VanDerWaalsContact O-CA 3.26Å; G352-G401 WeakPolarHBondContact O-CA 3.47Å
402	G	70.6	Confident	83.5	Confident	39 Å²	39	69.1 Å²	69.1	40%	0.402	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-69.2	166.5	-178.5	0	0	0	0	0	113.6	P351	P351-G402 VanDerWaalsContact CG-O 3.23Å; P351-G402 WeakPolarHBondContact CG-O 3.37Å
403	E	70.8	Confident	83.6	Confident	172 Å²	172	70.8 Å²	70.8	80%	0.804	40%	0.401	S	S	*	.	P	Polyproline II helix	trans	-71.4	140.1	176.7	-66.9	-170.3	157.5	0	0	111.6
404	V	73.7	Confident	83.5	Confident	37 Å²	37	72.6 Å²	72.6	22%	0.224	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-64.4	141.3	172.5	-176	0	0	0	0	108.3	M353 L392 V406	M353-V404 HydrophobicContact CE-CG2 4.02Å; M353-V404 HydrophobicContact SD-CG2 3.7Å; L392-V404 HydrophobicContact CD2-CG1 4.1Å; V404-V406 PolarHBondContact O-N 2.9Å
405	P	70.1	Confident	83.2	Confident	49 Å²	49	77 Å²	77	32%	0.318	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-53.2	139.9	176.8	20.7	-34	0	0	0	111.7	K349 L407	K349-P405 WeakPolarHBondContact O-CD 3.24Å; P405-L407 VanDerWaalsContact C-N 3.31Å; P405-L407 HydrophobicContact CB-CD1 4.46Å; P405-L407 HydrophobicContact CB-CG 4.3Å; P405-L407 HydrophobicContact CG-CD1 4.11Å; P405-L407 HydrophobicContact CG-CG 4.46Å; P405-L407 PolarHBondContact O-N 3.24Å
406	V	71.4	Confident	82.9	Confident	151 Å²	151	71 Å²	71	92%	0.915	39%	0.387	S	S	*	.			trans	-70.6	88.2	179.2	-172.8	0	0	0	0	109	V404	V404-V406 PolarHBondContact O-N 2.9Å
407	L	79.6	Confident	82.4	Confident	39 Å²	39	71.8 Å²	71.8	20%	0.204	40%	0.396	C	S	.	.			trans	-111.9	149.5	176.9	-65.9	172.5	0	0	0	110	Y348 F369 P405 V409 D481 V482	Y348-L407 HydrophobicContact CD1-CD1 3.99Å; Y348-L407 HydrophobicContact CD1-CD2 4.04Å; Y348-L407 HydrophobicContact CE1-CD1 4.34Å; Y348-L407 HydrophobicContact CE1-CD2 3.63Å; Y348-L407 HydrophobicContact CG-CD1 4.28Å; F369-L407 HydrophobicContact CE2-CD1 4.33Å; F369-L407 HydrophobicContact CZ-CD1 3.94Å; P405-L407 VanDerWaalsContact C-N 3.31Å; P405-L407 HydrophobicContact CB-CD1 4.46Å; P405-L407 HydrophobicContact CB-CG 4.3Å; P405-L407 HydrophobicContact CG-CD1 4.11Å; P405-L407 HydrophobicContact CG-CG 4.46Å; P405-L407 PolarHBondContact O-N 3.24Å; L407-V409 PolarHBondContact O-N 2.85Å; L407-D481 HydrophobicContact CB-CB 4.36Å; L407-D481 HydrophobicContact CD2-CB 4.29Å; L407-V482 HydrophobicContact CB-CG2 4.37Å; L407-V482 HydrophobicContact CD1-CG2 3.8Å
408	N	87.6	Confident	81.7	Confident	111 Å²	111	66.7 Å²	66.7	59%	0.594	38%	0.38	S	S	*	.			trans	-73.5	122.8	171.8	-70.7	-51.2	0	0	0	109.3	A480 D481 V482	N408-A480 CarbonylContact O-C 3.58Å; N408-A480 WeakPolarHBondContact O-CB 3.31Å; N408-D481 WeakPolarHBondContact CB-OD2 3.45Å; N408-D481 PolarHBondContact N-OD2 2.7Å; N408-D481 PolarHBondContact O-N 3.49Å; N408-V482 PolarHBondContact O-N 3.43Å; N408-V482 VanDerWaalsContact O-N 3.16Å
409	V	90.9	Very high	81.1	Confident	34 Å²	34	73.2 Å²	73.2	21%	0.206	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	132.9	-177.2	-175.8	0	0	0	0	111.5	A393 L407 V482 L484	A393-V409 HydrophobicContact CB-CG1 4.35Å; L407-V409 PolarHBondContact O-N 2.85Å; V409-V482 WeakPolarHBondContact CA-O 3.25Å; V409-V482 HydrophobicContact CG2-CB 4.44Å; V409-L484 HydrophobicContact CG1-CD1 3.4Å; V409-L484 VanDerWaalsContact CG1-CD1 3.4Å; V409-L484 HydrophobicContact CG1-CG 3.58Å
410	S	93.5	Very high	80.3	Confident	4 Å²	4	70.6 Å²	70.6	3%	0.028	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	134.3	164	-170.1	0	0	0	0	109.1	C475 A480 V482 L484	S410-C475 WeakPolarHBondContact CB-O 3.32Å; S410-C475 PolarHBondContact OG-O 3.42Å; S410-C475 PolarHBondContact OG-SG 2.76Å; S410-A480 VanDerWaalsContact N-CB 3.3Å; S410-V482 PolarHBondContact N-O 2.76Å; S410-L484 PolarHBondContact O-N 3.38Å
411	Y	93.1	Very high	80	Confident	30 Å²	30	70.9 Å²	70.9	12%	0.118	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	119.1	-174.9	173.9	-134.7	0	0	0	111.6	I389 P413 L484 D486	I389-Y411 HydrophobicContact CG2-CD2 3.7Å; I389-Y411 HydrophobicContact CG2-CE2 3.25Å; Y411-P413 HydrophobicContact CE1-CB 3.91Å; Y411-P413 VanDerWaalsContact CZ-CA 3.5Å; Y411-L484 WeakPolarHBondContact CA-O 3.48Å; Y411-L484 HydrophobicContact CD2-CB 3.82Å; Y411-D486 HydrophobicContact CE2-CB 4.08Å
412	K	94.1	Very high	80.5	Confident	3 Å²	3	69.6 Å²	69.6	1%	0.013	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	113	164.5	-176.5	-91.7	173.5	-161.5	0	108.7	Q414 Q468 A471 C475 L484 I485 D486 E487	K412-Q414 PolarHBondContact NZ-O 3.22Å; K412-Q468 VanDerWaalsContact CE-NE2 3.27Å; K412-Q468 VanDerWaalsContact NZ-NE2 3.11Å; K412-Q468 VanDerWaalsContact NZ-OE1 3.16Å; K412-A471 HydrophobicContact CG-CB 4.3Å; K412-C475 HydrophobicContact CB-CB 3.86Å; K412-L484 PolarHBondContact N-O 2.85Å; K412-I485 HydrophobicContact CB-CG2 4.24Å; K412-I485 HydrophobicContact CD-CG2 4.23Å; K412-D486 WeakPolarHBondContact CD-O 3.44Å; K412-D486 PolarHBondContact NZ-O 3.11Å; K412-D486 WeakPolarHBondContact O-CB 3.37Å; K412-D486 PolarHBondContact O-N 2.81Å; K412-D486 VanDerWaalsContact O-N 3.09Å; K412-E487 PolarHBondContact NZ-O 2.72Å
413	P	89.4	Confident	81.4	Confident	52 Å²	52	69.4 Å²	69.4	34%	0.338	38%	0.382	S	S	.	.			trans	-74.2	155.5	177.9	31.2	-34.9	0	0	0	112.8	Y411	Y411-P413 HydrophobicContact CE1-CB 3.91Å; Y411-P413 VanDerWaalsContact CZ-CA 3.5Å
414	Q	84.2	Confident	82.2	Confident	61 Å²	61	61.2 Å²	61.2	29%	0.285	34%	0.344	S	S	.	.	S	Bend	trans	-56	-59	176.9	-169.2	-169.9	22.6	0	0	111.5	K412 D486 E487	K412-Q414 PolarHBondContact NZ-O 3.22Å; Q414-D486 HydrophobicContact CB-CB 4.29Å; Q414-E487 HydrophobicContact CG-CB 4.38Å; Q414-E487 HydrophobicContact CG-CG 4.34Å; Q414-E487 VanDerWaalsContact CG-OE2 3.31Å; Q414-E487 WeakPolarHBondContact CG-OE2 2.98Å; Q414-E487 PolarHBondContact NE2-OE1 2.97Å; Q414-E487 PolarHBondContact NE2-OE2 2.9Å
415	K	79	Confident	83	Confident	157 Å²	157	64.6 Å²	64.6	68%	0.683	35%	0.353	S	S	*	.	S	Bend	trans	-84	121.2	177.2	-64.6	-172.9	-179.9	-174.5	0	110.5
416	I	78.9	Confident	83.9	Confident	49 Å²	49	66.6 Å²	66.6	25%	0.251	36%	0.358	S	S	.	.			trans	-104.4	129.9	172.1	-44.7	164.8	0	0	0	108.3	L467 Q468 A471	I416-L467 HydrophobicContact CB-CD2 3.9Å; I416-L467 HydrophobicContact CB-CG 4.15Å; I416-L467 HydrophobicContact CG2-CD1 4.13Å; I416-L467 HydrophobicContact CG2-CD2 3.65Å; I416-L467 HydrophobicContact CG2-CG 3.59Å; I416-Q468 HydrophobicContact CD1-CB 4.24Å; I416-A471 HydrophobicContact CD1-CB 3.44Å; I416-A471 VanDerWaalsContact CD1-CB 3.44Å; I416-A471 HydrophobicContact CG1-CB 4.11Å; I416-A471 HydrophobicContact CG2-CB 4.26Å
417	S	75.6	Confident	84.8	Confident	63 Å²	63	60 Å²	60	44%	0.441	32%	0.318	S	S	.	.			trans	-120.6	135.3	175.9	45.9	0	0	0	0	109.2	K419	S417-K419 PolarHBondContact O-N 3.28Å; S417-K419 VanDerWaalsContact OG-CE 3.27Å; S417-K419 WeakPolarHBondContact OG-CE 3.46Å
418	P	73.8	Confident	85.4	Confident	60 Å²	60	58.2 Å²	58.2	39%	0.39	31%	0.308	S	S	.	.			trans	-77.6	67.9	179.6	32.9	-35.5	0	0	0	110.5	V459 L467	P418-V459 HydrophobicContact CB-CG1 4.25Å; P418-L467 HydrophobicContact CB-CD1 4.43Å; P418-L467 HydrophobicContact CB-CD2 4.49Å
419	K	74.7	Confident	85.5	Confident	175 Å²	175	56.8 Å²	56.8	76%	0.761	30%	0.298	S	S	*	.			trans	-80.3	-26.1	-177.9	-69.2	-178	176.1	-176.4	0	113.4	S417 T421	S417-K419 PolarHBondContact O-N 3.28Å; S417-K419 VanDerWaalsContact OG-CE 3.27Å; S417-K419 WeakPolarHBondContact OG-CE 3.46Å; K419-T421 PolarHBondContact O-N 3.36Å
420	S	74.3	Confident	85.4	Confident	36 Å²	36	61.1 Å²	61.1	25%	0.252	32%	0.316	S	S	.	.			trans	-74.3	126.5	-176.8	50.1	0	0	0	0	111	V459	S420-V459 WeakPolarHBondContact OG-CG1 3.26Å
421	T	79.3	Confident	85.2	Confident	115 Å²	115	67.5 Å²	67.5	71%	0.706	34%	0.343	S	S	*	.			trans	-82.3	125	166.7	50.9	0	0	0	0	108.6	K419	K419-T421 PolarHBondContact O-N 3.36Å
422	G	85.4	Confident	85	Confident	25 Å²	25	66.4 Å²	66.4	26%	0.258	34%	0.339	S	S	.	.	S	Bend	trans	133.8	177.9	-179.3	0	0	0	0	0	113.9	E458 V459	G422-E458 WeakPolarHBondContact O-CA 3.21Å; G422-V459 PolarHBondContact O-N 2.83Å; G422-V459 VanDerWaalsContact O-N 3.13Å
423	S	89.2	Confident	84.6	Confident	34 Å²	34	73.9 Å²	73.9	24%	0.238	37%	0.367	C	S	.	.	B	Isolated β-bridge	trans	-80	159.3	176.9	67.4	0	0	0	0	111.9	R425 Q426 L427 Q457	S423-R425 PolarHBondContact O-N 2.9Å; S423-Q426 PolarHBondContact O-N 3.28Å; S423-Q426 VanDerWaalsContact O-N 3.12Å; S423-Q426 PolarHBondContact OG-N 3.39Å; S423-L427 PolarHBondContact O-N 3.15Å; S423-L427 VanDerWaalsContact O-N 3.09Å; S423-Q457 CarbonylContact C-O 3.58Å; S423-Q457 VanDerWaalsContact CA-O 3.26Å; S423-Q457 WeakPolarHBondContact CA-O 3.48Å
424	V	88.7	Confident	84.4	Confident	0 Å²	0	77.6 Å²	77.6	0%	0	38%	0.384	C	S	.	.	H	α-helix	trans	-56.5	-39.6	172.7	175.1	0	0	0	0	110.7	Q426 L427 L428 I451 I454 Q457 V459 L462 V470	V424-Q426 VanDerWaalsContact C-N 3.33Å; V424-Q426 PolarHBondContact O-N 3.34Å; V424-L427 PolarHBondContact O-N 3.05Å; V424-L428 HydrophobicContact CG1-CD1 3.76Å; V424-L428 HydrophobicContact CG1-CG 4.17Å; V424-L428 VanDerWaalsContact O-CG 3.23Å; V424-L428 WeakPolarHBondContact O-CG 3.24Å; V424-L428 PolarHBondContact O-N 3.21Å; V424-I451 HydrophobicContact CG1-CG2 4.2Å; V424-I454 WeakPolarHBondContact CG2-O 3.31Å; V424-Q457 PolarHBondContact N-O 3.03Å; V424-V459 HydrophobicContact CG2-CG2 4.13Å; V424-L462 HydrophobicContact CG2-CD1 3.74Å; V424-L462 HydrophobicContact CG2-CD2 4.32Å; V424-L462 HydrophobicContact CG2-CG 4.44Å; V424-V470 HydrophobicContact CG1-CG1 4.23Å; V424-V470 HydrophobicContact CG1-CG2 3.92Å; V424-V470 HydrophobicContact CG2-CG2 4.25Å
425	R	90.4	Very high	84.5	Confident	109 Å²	109	75.8 Å²	75.8	41%	0.411	38%	0.379	S	S	.	.	H	α-helix	trans	-55.5	-47.5	174.9	-171.8	174.9	-74.8	138.5	8.9	112	S423 L428 H429 I455 D456	S423-R425 PolarHBondContact O-N 2.9Å; R425-L428 PolarHBondContact O-N 3.21Å; R425-H429 WeakPolarHBondContact O-CB 3.44Å; R425-H429 PolarHBondContact O-N 3.04Å; R425-I455 HydrophobicContact CB-CG1 3.93Å; R425-I455 WeakPolarHBondContact CB-O 3.22Å; R425-I455 HydrophobicContact CG-CG1 4.41Å; R425-I455 PolarHBondContact N-O 3.35Å; R425-D456 IonicContact CZ-OD1 3.51Å; R425-D456 IonicContact CZ-OD2 3.92Å; R425-D456 IonicContact NE-OD1 2.66Å; R425-D456 IonicContact NH1-OD1 2.79Å; R425-D456 PolarHBondContact NH1-OD1 2.7Å; R425-D456 IonicContact NH2-OD1 3.6Å; R425-D456 PolarHBondContact NH2-OD1 3.22Å; R425-D456 IonicContact NH2-OD2 2.74Å; R425-D456 PolarHBondContact NH2-OD2 3.45Å; R425-D456 VanDerWaalsContact NH2-OD2 3.08Å
426	Q	89.8	Confident	84.8	Confident	90 Å²	90	70.4 Å²	70.4	42%	0.421	36%	0.355	S	S	.	.	H	α-helix	trans	-63	-46.6	-179.8	-178	179.7	-8	0	0	110.8	S423 V424 L428 H429 E430	S423-Q426 PolarHBondContact O-N 3.28Å; S423-Q426 VanDerWaalsContact O-N 3.12Å; S423-Q426 PolarHBondContact OG-N 3.39Å; V424-Q426 VanDerWaalsContact C-N 3.33Å; V424-Q426 PolarHBondContact O-N 3.34Å; Q426-L428 VanDerWaalsContact C-N 3.34Å; Q426-L428 PolarHBondContact O-N 3.47Å; Q426-H429 PolarHBondContact O-N 3.15Å; Q426-E430 HydrophobicContact CG-CG 4.35Å; Q426-E430 VanDerWaalsContact CG-OE1 3.25Å; Q426-E430 WeakPolarHBondContact CG-OE1 3.34Å; Q426-E430 PolarHBondContact NE2-OE1 2.99Å; Q426-E430 WeakPolarHBondContact O-CB 3.1Å; Q426-E430 VanDerWaalsContact O-CG 3.32Å; Q426-E430 WeakPolarHBondContact O-CG 3.23Å; Q426-E430 PolarHBondContact O-N 2.99Å
427	L	90.3	Very high	85.1	Confident	14 Å²	14	72.2 Å²	72.2	7%	0.073	37%	0.369	C	S	.	.	H	α-helix	trans	-59	-42.7	178	-173.5	77.7	0	0	0	112.6	S423 V424 K431 V459 V470 L474	S423-L427 PolarHBondContact O-N 3.15Å; S423-L427 VanDerWaalsContact O-N 3.09Å; V424-L427 PolarHBondContact O-N 3.05Å; L427-K431 HydrophobicContact CD1-CD 4.41Å; L427-K431 WeakPolarHBondContact O-CB 3.29Å; L427-K431 PolarHBondContact O-N 2.99Å; L427-K431 VanDerWaalsContact O-N 3.13Å; L427-V459 HydrophobicContact CB-CG2 4.45Å; L427-V459 HydrophobicContact CD2-CG2 4.06Å; L427-V470 HydrophobicContact CD2-CG1 3.98Å; L427-L474 HydrophobicContact CD2-CD1 3.57Å; L427-L474 HydrophobicContact CG-CD1 4.07Å
428	L	90.5	Very high	85.8	Confident	0 Å²	0	73.8 Å²	73.8	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-66.5	-42.7	176.7	-66.4	166.7	0	0	0	111	V424 R425 Q426 K431 I432 Y436 M446 I451 I455 L474	V424-L428 HydrophobicContact CG1-CD1 3.76Å; V424-L428 HydrophobicContact CG1-CG 4.17Å; V424-L428 VanDerWaalsContact O-CG 3.23Å; V424-L428 WeakPolarHBondContact O-CG 3.24Å; V424-L428 PolarHBondContact O-N 3.21Å; R425-L428 PolarHBondContact O-N 3.21Å; Q426-L428 VanDerWaalsContact C-N 3.34Å; Q426-L428 PolarHBondContact O-N 3.47Å; L428-K431 PolarHBondContact O-N 3.33Å; L428-I432 HydrophobicContact CB-CG1 4.27Å; L428-I432 HydrophobicContact CD2-CD1 3.66Å; L428-I432 HydrophobicContact CD2-CG1 4.13Å; L428-I432 CarbonylContact O-C 3.54Å; L428-I432 WeakPolarHBondContact O-CA 3.2Å; L428-I432 WeakPolarHBondContact O-CG1 3.38Å; L428-I432 PolarHBondContact O-N 3.2Å; L428-Y436 HydrophobicContact CB-CD1 4.5Å; L428-Y436 HydrophobicContact CB-CG 4.3Å; L428-M446 HydrophobicContact CD1-CE 3.69Å; L428-I451 HydrophobicContact CD1-CG2 4.03Å; L428-I455 HydrophobicContact CD1-CD1 4.41Å; L428-I455 HydrophobicContact CD1-CG1 4.27Å; L428-L474 HydrophobicContact CD2-CD2 3.82Å; L428-L474 HydrophobicContact CD2-CG 4.23Å
429	H	90.5	Very high	86.6	Confident	82 Å²	82	75.5 Å²	75.5	38%	0.38	38%	0.38	S	S	.	.	H	α-helix	trans	-65.2	-39.8	178.5	-167.2	81.7	0	0	0	112.4	R425 Q426 R433 Y436	R425-H429 WeakPolarHBondContact O-CB 3.44Å; R425-H429 PolarHBondContact O-N 3.04Å; Q426-H429 PolarHBondContact O-N 3.15Å; H429-R433 WeakPolarHBondContact O-CB 3.4Å; H429-Y436 HydrophobicContact CB-CE1 4.05Å; H429-Y436 AromaticContact ND1-CE1 3.5Å; H429-Y436 WeakPolarHBondContact ND1-CE1 3.5Å; H429-Y436 AromaticContact ND1-CZ 3.61Å; H429-Y436 PolarHBondContact ND1-OH 3.16Å
430	E	89	Confident	87.3	Confident	125 Å²	125	72 Å²	72	58%	0.584	37%	0.366	S	S	*	.	H	α-helix	trans	-67.8	-40.5	178.3	-75.2	173	-174.9	0	0	112.6	Q426	Q426-E430 HydrophobicContact CG-CG 4.35Å; Q426-E430 VanDerWaalsContact CG-OE1 3.25Å; Q426-E430 WeakPolarHBondContact CG-OE1 3.34Å; Q426-E430 PolarHBondContact NE2-OE1 2.99Å; Q426-E430 WeakPolarHBondContact O-CB 3.1Å; Q426-E430 VanDerWaalsContact O-CG 3.32Å; Q426-E430 WeakPolarHBondContact O-CG 3.23Å; Q426-E430 PolarHBondContact O-N 2.99Å
431	K	88.7	Confident	88.1	Confident	138 Å²	138	70.9 Å²	70.9	60%	0.6	36%	0.357	S	S	*	.	H	α-helix	trans	-97.9	-32.6	-171.5	-69.9	-170	175.4	-177.9	0	115.1	L427 L428 L474	L427-K431 HydrophobicContact CD1-CD 4.41Å; L427-K431 WeakPolarHBondContact O-CB 3.29Å; L427-K431 PolarHBondContact O-N 2.99Å; L427-K431 VanDerWaalsContact O-N 3.13Å; L428-K431 PolarHBondContact O-N 3.33Å; K431-L474 HydrophobicContact CB-CD2 3.92Å; K431-L474 HydrophobicContact CD-CD2 4.19Å
432	I	89.2	Confident	88.7	Confident	7 Å²	7	66.8 Å²	66.8	4%	0.036	33%	0.332	C	S	.	.	H	α-helix	trans	-138.2	41.2	-170.5	62.3	161.8	0	0	0	112	L428 D434 A435 Y436 F441 L474 G477 K478	L428-I432 HydrophobicContact CB-CG1 4.27Å; L428-I432 HydrophobicContact CD2-CD1 3.66Å; L428-I432 HydrophobicContact CD2-CG1 4.13Å; L428-I432 CarbonylContact O-C 3.54Å; L428-I432 WeakPolarHBondContact O-CA 3.2Å; L428-I432 WeakPolarHBondContact O-CG1 3.38Å; L428-I432 PolarHBondContact O-N 3.2Å; I432-D434 VanDerWaalsContact C-N 3.3Å; I432-D434 PolarHBondContact O-N 3.03Å; I432-D434 VanDerWaalsContact O-N 3.15Å; I432-A435 HydrophobicContact CB-CB 4.32Å; I432-A435 PolarHBondContact O-N 3.24Å; I432-A435 VanDerWaalsContact O-N 3.12Å; I432-Y436 WeakPolarHBondContact O-CD1 3.46Å; I432-Y436 PolarHBondContact O-N 3.43Å; I432-F441 HydrophobicContact CD1-CE1 4.16Å; I432-F441 HydrophobicContact CD1-CZ 4.39Å; I432-L474 HydrophobicContact CD1-CD2 4.29Å; I432-L474 HydrophobicContact CG1-CD2 4.11Å; I432-L474 HydrophobicContact CG2-CD2 4.37Å; I432-G477 VanDerWaalsContact CG2-C 3.44Å; I432-K478 HydrophobicContact CG2-CB 4.42Å
433	R	85.7	Confident	89	Confident	159 Å²	159	69 Å²	69	60%	0.6	34%	0.341	S	S	*	.	H	α-helix	trans	-42.7	-52	-173.9	-171.6	177.4	175	-174.1	-0.4	113.7	H429 Y436 T437	H429-R433 WeakPolarHBondContact O-CB 3.4Å; R433-Y436 WeakPolarHBondContact O-CD1 3.21Å; R433-Y436 VanDerWaalsContact O-CE1 3.29Å; R433-Y436 WeakPolarHBondContact O-CE1 3.16Å; R433-T437 PolarHBondContact O-OG1 3.49Å
434	D	85.8	Confident	89	Confident	131 Å²	131	68 Å²	68	70%	0.701	33%	0.333	S	S	*	.	H	α-helix	trans	-75.3	-39.6	-173.7	-54.2	-38.2	0	0	0	111.7	I432 T437 H438	I432-D434 VanDerWaalsContact C-N 3.3Å; I432-D434 PolarHBondContact O-N 3.03Å; I432-D434 VanDerWaalsContact O-N 3.15Å; D434-T437 PolarHBondContact O-OG1 2.86Å; D434-H438 PolarHBondContact O-N 3.26Å
435	A	85.5	Confident	89.3	Confident	22 Å²	22	68 Å²	68	18%	0.182	33%	0.333	C	S	.	.	H	α-helix	trans	-70.1	-45.5	-176.3	0	0	0	0	0	112.3	I432 T437 H438 F441 G477	I432-A435 HydrophobicContact CB-CB 4.32Å; I432-A435 PolarHBondContact O-N 3.24Å; I432-A435 VanDerWaalsContact O-N 3.12Å; A435-T437 PolarHBondContact O-N 3.44Å; A435-H438 WeakPolarHBondContact O-CB 3.46Å; A435-H438 PolarHBondContact O-N 2.84Å; A435-F441 HydrophobicContact CB-CD1 4.38Å; A435-F441 HydrophobicContact CB-CD2 4.47Å; A435-F441 HydrophobicContact CB-CG 4.33Å; A435-F441 VanDerWaalsContact O-CB 3.24Å; A435-F441 WeakPolarHBondContact O-CB 3.42Å; A435-F441 WeakPolarHBondContact O-CD1 3.47Å; A435-F441 WeakPolarHBondContact O-CG 3.29Å; A435-G477 WeakPolarHBondContact CB-O 3.39Å
436	Y	84.8	Confident	89.4	Confident	45 Å²	45	63.1 Å²	63.1	18%	0.176	31%	0.314	C	S	.	.	H	α-helix	trans	-68.1	-22.1	-175.4	93.2	-88.7	0	0	0	113.1	L428 H429 I432 R433 V442	L428-Y436 HydrophobicContact CB-CD1 4.5Å; L428-Y436 HydrophobicContact CB-CG 4.3Å; H429-Y436 HydrophobicContact CB-CE1 4.05Å; H429-Y436 AromaticContact ND1-CE1 3.5Å; H429-Y436 WeakPolarHBondContact ND1-CE1 3.5Å; H429-Y436 AromaticContact ND1-CZ 3.61Å; H429-Y436 PolarHBondContact ND1-OH 3.16Å; I432-Y436 WeakPolarHBondContact O-CD1 3.46Å; I432-Y436 PolarHBondContact O-N 3.43Å; R433-Y436 WeakPolarHBondContact O-CD1 3.21Å; R433-Y436 VanDerWaalsContact O-CE1 3.29Å; R433-Y436 WeakPolarHBondContact O-CE1 3.16Å; Y436-V442 VanDerWaalsContact O-CG2 3.23Å; Y436-V442 WeakPolarHBondContact O-CG2 3.36Å
437	T	85.1	Confident	89.5	Confident	87 Å²	87	64.1 Å²	64.1	53%	0.534	32%	0.317	S	S	.	.	H	α-helix	trans	-84.9	-16.6	172.7	51.3	0	0	0	0	113.7	R433 D434 A435	R433-T437 PolarHBondContact O-OG1 3.49Å; D434-T437 PolarHBondContact O-OG1 2.86Å; A435-T437 PolarHBondContact O-N 3.44Å
438	H	90.4	Very high	89.5	Confident	95 Å²	95	65 Å²	65	44%	0.44	32%	0.324	S	S	.	.			trans	-71.2	124.4	-174.6	-168.9	-94.1	0	0	0	111.3	D434 A435 Q440 F441 V442	D434-H438 PolarHBondContact O-N 3.26Å; A435-H438 WeakPolarHBondContact O-CB 3.46Å; A435-H438 PolarHBondContact O-N 2.84Å; H438-Q440 VanDerWaalsContact C-N 3.27Å; H438-Q440 VanDerWaalsContact CE1-CB 3.49Å; H438-Q440 WeakPolarHBondContact CE1-CB 3.4Å; H438-Q440 WeakPolarHBondContact ND1-CB 3.41Å; H438-Q440 PolarHBondContact ND1-N 2.79Å; H438-Q440 PolarHBondContact O-N 3.12Å; H438-Q440 VanDerWaalsContact O-N 3.15Å; H438-F441 HydrophobicContact CB-CB 4.14Å; H438-F441 PolarHBondContact O-N 3.15Å; H438-V442 WeakPolarHBondContact O-CG2 3.43Å; H438-V442 PolarHBondContact O-N 2.81Å
439	P	90.7	Very high	89.6	Confident	96 Å²	96	65.2 Å²	65.2	62%	0.623	33%	0.325	S	S	*	.	H	α-helix	trans	-56.3	-36.9	-173.8	-27.7	34.6	0	0	0	114.6	T443	P439-T443 PolarHBondContact O-N 3.48Å; P439-T443 VanDerWaalsContact O-N 3.14Å; P439-T443 PolarHBondContact O-OG1 3.49Å
440	Q	89.4	Confident	89.6	Confident	103 Å²	103	65.7 Å²	65.7	48%	0.481	33%	0.327	S	S	.	.	H	α-helix	trans	-68.7	-43.2	178	-170.4	177.2	-4.4	0	0	111.5	H438 V442 T443 D444	H438-Q440 VanDerWaalsContact C-N 3.27Å; H438-Q440 VanDerWaalsContact CE1-CB 3.49Å; H438-Q440 WeakPolarHBondContact CE1-CB 3.4Å; H438-Q440 WeakPolarHBondContact ND1-CB 3.41Å; H438-Q440 PolarHBondContact ND1-N 2.79Å; H438-Q440 PolarHBondContact O-N 3.12Å; H438-Q440 VanDerWaalsContact O-N 3.15Å; Q440-V442 VanDerWaalsContact C-N 3.32Å; Q440-V442 PolarHBondContact O-N 2.97Å; Q440-T443 PolarHBondContact O-N 3.5Å; Q440-T443 VanDerWaalsContact O-N 3.16Å; Q440-D444 WeakPolarHBondContact CG-OD2 3.33Å; Q440-D444 WeakPolarHBondContact O-CB 3.24Å; Q440-D444 PolarHBondContact O-N 3.26Å
441	F	91.8	Very high	89.7	Confident	11 Å²	11	59.7 Å²	59.7	5%	0.048	30%	0.299	C	S	.	.	H	α-helix	trans	-67	-36.8	178.9	-175.1	-96.6	0	0	0	111.5	I432 A435 H438 T443 D444 V445 M446 A473 L476 G477 F507	I432-F441 HydrophobicContact CD1-CE1 4.16Å; I432-F441 HydrophobicContact CD1-CZ 4.39Å; A435-F441 HydrophobicContact CB-CD1 4.38Å; A435-F441 HydrophobicContact CB-CD2 4.47Å; A435-F441 HydrophobicContact CB-CG 4.33Å; A435-F441 VanDerWaalsContact O-CB 3.24Å; A435-F441 WeakPolarHBondContact O-CB 3.42Å; A435-F441 WeakPolarHBondContact O-CD1 3.47Å; A435-F441 WeakPolarHBondContact O-CG 3.29Å; H438-F441 HydrophobicContact CB-CB 4.14Å; H438-F441 PolarHBondContact O-N 3.15Å; F441-T443 VanDerWaalsContact C-N 3.29Å; F441-T443 PolarHBondContact O-N 3.19Å; F441-D444 PolarHBondContact O-N 2.86Å; F441-V445 HydrophobicContact CD1-CB 4.45Å; F441-V445 HydrophobicContact CD2-CB 4.19Å; F441-V445 HydrophobicContact CD2-CG2 3.81Å; F441-V445 HydrophobicContact CE1-CB 4.15Å; F441-V445 HydrophobicContact CE1-CG1 4.24Å; F441-V445 HydrophobicContact CE2-CB 3.87Å; F441-V445 HydrophobicContact CE2-CG1 4.1Å; F441-V445 HydrophobicContact CE2-CG2 3.58Å; F441-V445 HydrophobicContact CG-CB 4.48Å; F441-V445 HydrophobicContact CG-CG2 4.48Å; F441-V445 HydrophobicContact CZ-CB 3.85Å; F441-V445 HydrophobicContact CZ-CG1 3.74Å; F441-V445 HydrophobicContact CZ-CG2 4.07Å; F441-V445 WeakPolarHBondContact O-CA 3.43Å; F441-V445 WeakPolarHBondContact O-CB 3.36Å; F441-V445 PolarHBondContact O-N 2.68Å; F441-M446 HydrophobicContact CD1-CG 3.96Å; F441-M446 HydrophobicContact CE1-CG 3.95Å; F441-M446 HydrophobicContact CE1-SD 3.94Å; F441-M446 PolarHBondContact O-N 2.98Å; F441-A473 WeakPolarHBondContact CZ-O 3.46Å; F441-L476 HydrophobicContact CE2-CB 4.2Å; F441-G477 VanDerWaalsContact CE2-CA 3.48Å; F441-G477 VanDerWaalsContact CZ-CA 3.44Å; F441-F507 HydrophobicContact CD2-CD2 4.34Å; F441-F507 AromaticContact CD2-CE2 3.84Å; F441-F507 HydrophobicContact CD2-CE2 3.84Å; F441-F507 HydrophobicContact CE2-CD2 4.44Å; F441-F507 AromaticContact CE2-CE2 3.96Å; F441-F507 HydrophobicContact CE2-CE2 3.96Å
442	V	91.9	Very high	89.7	Confident	30 Å²	30	57.7 Å²	57.7	18%	0.182	29%	0.292	C	S	.	.	I	π-helix	trans	-59.9	-43.2	173.6	173.3	0	0	0	0	110.9	Y436 H438 Q440 M446 K447	Y436-V442 VanDerWaalsContact O-CG2 3.23Å; Y436-V442 WeakPolarHBondContact O-CG2 3.36Å; H438-V442 WeakPolarHBondContact O-CG2 3.43Å; H438-V442 PolarHBondContact O-N 2.81Å; Q440-V442 VanDerWaalsContact C-N 3.32Å; Q440-V442 PolarHBondContact O-N 2.97Å; V442-M446 HydrophobicContact CB-CB 4.48Å; V442-M446 HydrophobicContact CG1-CB 4.34Å; V442-M446 HydrophobicContact CG2-CG 4.38Å; V442-M446 PolarHBondContact O-N 3.49Å; V442-K447 HydrophobicContact CG1-CD 4.48Å; V442-K447 HydrophobicContact CG1-CG 4.23Å; V442-K447 PolarHBondContact O-N 2.87Å
443	T	91	Very high	89.4	Confident	72 Å²	72	62.2 Å²	62.2	44%	0.442	32%	0.316	S	S	.	.	I	π-helix	trans	-74	-39	-178.4	-55.6	0	0	0	0	112.5	P439 Q440 F441 P448	P439-T443 PolarHBondContact O-N 3.48Å; P439-T443 VanDerWaalsContact O-N 3.14Å; P439-T443 PolarHBondContact O-OG1 3.49Å; Q440-T443 PolarHBondContact O-N 3.5Å; Q440-T443 VanDerWaalsContact O-N 3.16Å; F441-T443 VanDerWaalsContact C-N 3.29Å; F441-T443 PolarHBondContact O-N 3.19Å; T443-P448 VanDerWaalsContact O-CD 3.29Å; T443-P448 WeakPolarHBondContact O-CD 3.44Å; T443-P448 WeakPolarHBondContact O-CG 3.38Å
444	D	90.6	Very high	89.5	Confident	13 Å²	13	54.9 Å²	54.9	7%	0.07	29%	0.289	C	S	.	.	I	π-helix	trans	-84	-31.8	-175.3	-71.5	-22.1	0	0	0	113.1	Q440 F441 R506 H510	Q440-D444 WeakPolarHBondContact CG-OD2 3.33Å; Q440-D444 WeakPolarHBondContact O-CB 3.24Å; Q440-D444 PolarHBondContact O-N 3.26Å; F441-D444 PolarHBondContact O-N 2.86Å; D444-R506 IonicContact OD1-CZ 2.82Å; D444-R506 IonicContact OD1-NE 3.08Å; D444-R506 IonicContact OD1-NH1 3.39Å; D444-H510 IonicContact OD2-CD2 3.91Å
445	V	93.4	Very high	89.6	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.261	C	S	.	.	I	π-helix	trans	-121.7	-54.8	-171.5	-175.7	0	0	0	0	112.2	F441 P448 L449 A473 L476 V503 F507	F441-V445 HydrophobicContact CD1-CB 4.45Å; F441-V445 HydrophobicContact CD2-CB 4.19Å; F441-V445 HydrophobicContact CD2-CG2 3.81Å; F441-V445 HydrophobicContact CE1-CB 4.15Å; F441-V445 HydrophobicContact CE1-CG1 4.24Å; F441-V445 HydrophobicContact CE2-CB 3.87Å; F441-V445 HydrophobicContact CE2-CG1 4.1Å; F441-V445 HydrophobicContact CE2-CG2 3.58Å; F441-V445 HydrophobicContact CG-CB 4.48Å; F441-V445 HydrophobicContact CG-CG2 4.48Å; F441-V445 HydrophobicContact CZ-CB 3.85Å; F441-V445 HydrophobicContact CZ-CG1 3.74Å; F441-V445 HydrophobicContact CZ-CG2 4.07Å; F441-V445 WeakPolarHBondContact O-CA 3.43Å; F441-V445 WeakPolarHBondContact O-CB 3.36Å; F441-V445 PolarHBondContact O-N 2.68Å; V445-P448 WeakPolarHBondContact O-CD 3.37Å; V445-L449 HydrophobicContact CG1-CD1 3.74Å; V445-L449 VanDerWaalsContact O-CB 3.25Å; V445-L449 WeakPolarHBondContact O-CB 3.09Å; V445-L449 VanDerWaalsContact O-CG 3.29Å; V445-L449 WeakPolarHBondContact O-CG 3.45Å; V445-L449 PolarHBondContact O-N 2.94Å; V445-L449 VanDerWaalsContact O-N 3.09Å; V445-A473 HydrophobicContact CG1-CB 4.1Å; V445-L476 HydrophobicContact CG1-CD1 4.17Å; V445-L476 HydrophobicContact CG2-CD1 4.27Å; V445-V503 HydrophobicContact CB-CG1 4.19Å; V445-V503 HydrophobicContact CG1-CG1 4.06Å; V445-V503 HydrophobicContact CG2-CG1 3.98Å; V445-F507 HydrophobicContact CG2-CB 4.45Å; V445-F507 HydrophobicContact CG2-CD2 3.85Å; V445-F507 HydrophobicContact CG2-CG 4.37Å
446	M	92.9	Very high	89.6	Confident	5 Å²	5	53.9 Å²	53.9	3%	0.025	28%	0.28	C	S	.	.	I	π-helix	trans	-68.5	-47.3	-169.4	-61.5	-67.9	-72.8	0	0	113.6	L428 F441 V442 Q450 I451 A473	L428-M446 HydrophobicContact CD1-CE 3.69Å; F441-M446 HydrophobicContact CD1-CG 3.96Å; F441-M446 HydrophobicContact CE1-CG 3.95Å; F441-M446 HydrophobicContact CE1-SD 3.94Å; F441-M446 PolarHBondContact O-N 2.98Å; V442-M446 HydrophobicContact CB-CB 4.48Å; V442-M446 HydrophobicContact CG1-CB 4.34Å; V442-M446 HydrophobicContact CG2-CG 4.38Å; V442-M446 PolarHBondContact O-N 3.49Å; M446-Q450 PolarHBondContact O-N 3.33Å; M446-I451 HydrophobicContact CE-CB 3.73Å; M446-I451 HydrophobicContact CE-CG1 4.44Å; M446-I451 HydrophobicContact CE-CG2 3.44Å; M446-I451 VanDerWaalsContact CE-CG2 3.44Å; M446-I451 PolarHBondContact O-N 2.87Å; M446-I451 HydrophobicContact SD-CB 4.12Å; M446-I451 HydrophobicContact SD-CG1 4.19Å; M446-I451 HydrophobicContact SD-CG2 4.19Å; M446-A473 HydrophobicContact SD-CB 4.37Å
447	K	91.7	Very high	89.7	Confident	111 Å²	111	53.8 Å²	53.8	48%	0.483	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-49.8	179	-74.6	178.5	179.3	176.5	0	112	V442 L449 Q450 E452	V442-K447 HydrophobicContact CG1-CD 4.48Å; V442-K447 HydrophobicContact CG1-CG 4.23Å; V442-K447 PolarHBondContact O-N 2.87Å; K447-L449 VanDerWaalsContact C-N 3.34Å; K447-L449 PolarHBondContact O-N 3.3Å; K447-Q450 WeakPolarHBondContact O-CA 3.4Å; K447-Q450 PolarHBondContact O-N 3.46Å; K447-E452 VanDerWaalsContact CG-OE1 3.25Å; K447-E452 WeakPolarHBondContact CG-OE1 2.97Å
448	P	91.2	Very high	89.8	Confident	33 Å²	33	55.2 Å²	55.2	21%	0.214	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-34.1	-178.9	-23.4	36.7	0	0	0	113.2	T443 V445 Q450 M499 V503	T443-P448 VanDerWaalsContact O-CD 3.29Å; T443-P448 WeakPolarHBondContact O-CD 3.44Å; T443-P448 WeakPolarHBondContact O-CG 3.38Å; V445-P448 WeakPolarHBondContact O-CD 3.37Å; P448-Q450 PolarHBondContact O-N 3.38Å; P448-M499 HydrophobicContact CB-CE 4.02Å; P448-V503 HydrophobicContact CB-CG2 3.54Å; P448-V503 HydrophobicContact CG-CG2 4.21Å
449	L	92.9	Very high	89.6	Confident	5 Å²	5	50.8 Å²	50.8	3%	0.026	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	2.3	172.1	-63.4	180	0	0	0	113	V445 K447 I451 R469 L472 A473 A500 V503	V445-L449 HydrophobicContact CG1-CD1 3.74Å; V445-L449 VanDerWaalsContact O-CB 3.25Å; V445-L449 WeakPolarHBondContact O-CB 3.09Å; V445-L449 VanDerWaalsContact O-CG 3.29Å; V445-L449 WeakPolarHBondContact O-CG 3.45Å; V445-L449 PolarHBondContact O-N 2.94Å; V445-L449 VanDerWaalsContact O-N 3.09Å; K447-L449 VanDerWaalsContact C-N 3.34Å; K447-L449 PolarHBondContact O-N 3.3Å; L449-I451 HydrophobicContact CB-CD1 3.97Å; L449-I451 HydrophobicContact CB-CG1 3.84Å; L449-I451 PolarHBondContact O-N 3.31Å; L449-I451 VanDerWaalsContact O-N 3.15Å; L449-R469 HydrophobicContact CB-CB 4.46Å; L449-R469 HydrophobicContact CD2-CG 4.48Å; L449-R469 WeakPolarHBondContact O-CD 3.33Å; L449-R469 PolarHBondContact O-NH1 3.1Å; L449-L472 HydrophobicContact CD1-CB 4.39Å; L449-L472 HydrophobicContact CD1-CD2 4.22Å; L449-L472 HydrophobicContact CD1-CG 4.35Å; L449-L472 HydrophobicContact CD2-CD2 4.19Å; L449-A473 HydrophobicContact CD1-CB 4.17Å; L449-A500 HydrophobicContact CD2-CB 4.41Å; L449-V503 HydrophobicContact CD1-CG1 4.25Å; L449-V503 HydrophobicContact CD2-CB 4.48Å; L449-V503 HydrophobicContact CD2-CG2 4.17Å; L449-V503 HydrophobicContact CG-CG1 4.27Å; L449-V503 HydrophobicContact CG-CG2 4.18Å
450	Q	90.3	Very high	89.4	Confident	91 Å²	91	51.5 Å²	51.5	43%	0.425	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	49	37.5	-179.1	-46.5	172.6	-13.6	0	0	113.5	M446 K447 P448 E452 N453	M446-Q450 PolarHBondContact O-N 3.33Å; K447-Q450 WeakPolarHBondContact O-CA 3.4Å; K447-Q450 PolarHBondContact O-N 3.46Å; P448-Q450 PolarHBondContact O-N 3.38Å; Q450-E452 PolarHBondContact O-N 2.69Å; Q450-N453 PolarHBondContact O-N 2.84Å
451	I	91.5	Very high	89.2	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-67	-28.1	-179.8	-55.5	-61	0	0	0	110.8	V424 L428 M446 L449 N453 I454 I455 R469 V470 A473	V424-I451 HydrophobicContact CG1-CG2 4.2Å; L428-I451 HydrophobicContact CD1-CG2 4.03Å; M446-I451 HydrophobicContact CE-CB 3.73Å; M446-I451 HydrophobicContact CE-CG1 4.44Å; M446-I451 HydrophobicContact CE-CG2 3.44Å; M446-I451 VanDerWaalsContact CE-CG2 3.44Å; M446-I451 PolarHBondContact O-N 2.87Å; M446-I451 HydrophobicContact SD-CB 4.12Å; M446-I451 HydrophobicContact SD-CG1 4.19Å; M446-I451 HydrophobicContact SD-CG2 4.19Å; L449-I451 HydrophobicContact CB-CD1 3.97Å; L449-I451 HydrophobicContact CB-CG1 3.84Å; L449-I451 PolarHBondContact O-N 3.31Å; L449-I451 VanDerWaalsContact O-N 3.15Å; I451-N453 PolarHBondContact O-N 2.9Å; I451-I454 HydrophobicContact CD1-CD1 4.29Å; I451-I454 CarbonylContact O-C 3.57Å; I451-I454 VanDerWaalsContact O-CG1 3.31Å; I451-I454 WeakPolarHBondContact O-CG1 3.39Å; I451-I454 PolarHBondContact O-N 3.1Å; I451-I454 VanDerWaalsContact O-N 3.09Å; I451-I455 PolarHBondContact O-N 3Å; I451-R469 HydrophobicContact CD1-CB 3.83Å; I451-V470 HydrophobicContact CD1-CG2 4.11Å; I451-A473 HydrophobicContact CD1-CB 4.38Å; I451-A473 HydrophobicContact CG1-CB 4.23Å
452	E	87.3	Confident	89	Confident	95 Å²	95	51.5 Å²	51.5	44%	0.444	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-56.1	-33.3	177.7	-64.4	-179.6	175.7	0	0	112.8	K447 Q450 I454 I455	K447-E452 VanDerWaalsContact CG-OE1 3.25Å; K447-E452 WeakPolarHBondContact CG-OE1 2.97Å; Q450-E452 PolarHBondContact O-N 2.69Å; E452-I454 VanDerWaalsContact C-N 3.29Å; E452-I454 PolarHBondContact O-N 3.46Å; E452-I455 WeakPolarHBondContact O-CG2 3.33Å
453	N	84.4	Confident	88.6	Confident	103 Å²	103	52.6 Å²	52.6	55%	0.551	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-73.4	-22.3	-178.5	-66	-18.4	0	0	0	113.6	K15 Q450 I451	K15-N453 PolarHBondContact NZ-O 3.38Å; Q450-N453 PolarHBondContact O-N 2.84Å; I451-N453 PolarHBondContact O-N 2.9Å
454	I	87.4	Confident	88.3	Confident	5 Å²	5	50.3 Å²	50.3	3%	0.026	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.9	2.2	-174.9	64.1	172.4	0	0	0	112.5	V424 I451 E452 D456 Q457 L462 E466 V470	V424-I454 WeakPolarHBondContact CG2-O 3.31Å; I451-I454 HydrophobicContact CD1-CD1 4.29Å; I451-I454 CarbonylContact O-C 3.57Å; I451-I454 VanDerWaalsContact O-CG1 3.31Å; I451-I454 WeakPolarHBondContact O-CG1 3.39Å; I451-I454 PolarHBondContact O-N 3.1Å; I451-I454 VanDerWaalsContact O-N 3.09Å; E452-I454 VanDerWaalsContact C-N 3.29Å; E452-I454 PolarHBondContact O-N 3.46Å; I454-D456 PolarHBondContact O-N 3.31Å; I454-Q457 VanDerWaalsContact CG2-OE1 3.3Å; I454-Q457 WeakPolarHBondContact O-CB 3.35Å; I454-Q457 PolarHBondContact O-N 3.03Å; I454-L462 HydrophobicContact CB-CD2 4.2Å; I454-L462 HydrophobicContact CD1-CD2 4.39Å; I454-E466 HydrophobicContact CD1-CB 4.03Å; I454-E466 HydrophobicContact CD1-CG 4.17Å; I454-E466 HydrophobicContact CG2-CG 4.14Å; I454-V470 HydrophobicContact CD1-CG2 3.64Å
455	I	87.4	Confident	88.1	Confident	23 Å²	23	49.9 Å²	49.9	12%	0.118	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-31.8	-173.2	-160.8	168.8	0	0	0	113	R425 L428 I451 E452	R425-I455 HydrophobicContact CB-CG1 3.93Å; R425-I455 WeakPolarHBondContact CB-O 3.22Å; R425-I455 HydrophobicContact CG-CG1 4.41Å; R425-I455 PolarHBondContact N-O 3.35Å; L428-I455 HydrophobicContact CD1-CD1 4.41Å; L428-I455 HydrophobicContact CD1-CG1 4.27Å; I451-I455 PolarHBondContact O-N 3Å; E452-I455 WeakPolarHBondContact O-CG2 3.33Å
456	D	86.1	Confident	88	Confident	109 Å²	109	51.9 Å²	51.9	58%	0.583	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-0.5	179	-69.3	-59.4	0	0	0	113.3	R425 I454	R425-D456 IonicContact CZ-OD1 3.51Å; R425-D456 IonicContact CZ-OD2 3.92Å; R425-D456 IonicContact NE-OD1 2.66Å; R425-D456 IonicContact NH1-OD1 2.79Å; R425-D456 PolarHBondContact NH1-OD1 2.7Å; R425-D456 IonicContact NH2-OD1 3.6Å; R425-D456 PolarHBondContact NH2-OD1 3.22Å; R425-D456 IonicContact NH2-OD2 2.74Å; R425-D456 PolarHBondContact NH2-OD2 3.45Å; R425-D456 VanDerWaalsContact NH2-OD2 3.08Å; I454-D456 PolarHBondContact O-N 3.31Å
457	Q	85.7	Confident	87.9	Confident	43 Å²	43	52.5 Å²	52.5	20%	0.201	28%	0.275	C	S	.	.	S	Bend	trans	-82.2	154.7	177	-69.4	179.5	-21.5	0	0	111.6	S423 V424 I454 L462	S423-Q457 CarbonylContact C-O 3.58Å; S423-Q457 VanDerWaalsContact CA-O 3.26Å; S423-Q457 WeakPolarHBondContact CA-O 3.48Å; V424-Q457 PolarHBondContact N-O 3.03Å; I454-Q457 VanDerWaalsContact CG2-OE1 3.3Å; I454-Q457 WeakPolarHBondContact O-CB 3.35Å; I454-Q457 PolarHBondContact O-N 3.03Å; Q457-L462 HydrophobicContact CB-CD2 4.01Å
458	E	87.6	Confident	87.9	Confident	116 Å²	116	47.4 Å²	47.4	54%	0.542	25%	0.253	S	S	.	.	B	Isolated β-bridge	trans	-77.4	136	173.5	-67	-174	179	0	0	110.4	G422 Q460 T461	G422-E458 WeakPolarHBondContact O-CA 3.21Å; E458-Q460 PolarHBondContact O-N 2.79Å; E458-Q460 VanDerWaalsContact O-N 3.08Å; E458-T461 HydrophobicContact CB-CG2 4.26Å; E458-T461 PolarHBondContact O-N 2.84Å; E458-T461 PolarHBondContact O-OG1 2.91Å
459	V	87.5	Confident	88.1	Confident	3 Å²	3	46.6 Å²	46.6	2%	0.018	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-58.3	-29.7	-175.9	-178.4	0	0	0	0	112.3	P418 S420 G422 V424 L427 T461 L462 L467	P418-V459 HydrophobicContact CB-CG1 4.25Å; S420-V459 WeakPolarHBondContact OG-CG1 3.26Å; G422-V459 PolarHBondContact O-N 2.83Å; G422-V459 VanDerWaalsContact O-N 3.13Å; V424-V459 HydrophobicContact CG2-CG2 4.13Å; L427-V459 HydrophobicContact CB-CG2 4.45Å; L427-V459 HydrophobicContact CD2-CG2 4.06Å; V459-T461 VanDerWaalsContact C-N 3.31Å; V459-T461 PolarHBondContact O-N 2.86Å; V459-L462 HydrophobicContact CG1-CD1 4.43Å; V459-L467 HydrophobicContact CG1-CD1 3.81Å
460	Q	86.3	Confident	88.1	Confident	111 Å²	111	46.4 Å²	46.4	52%	0.519	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-72.6	-20.7	178.6	-63	-177.7	0.5	0	0	114.3	E458	E458-Q460 PolarHBondContact O-N 2.79Å; E458-Q460 VanDerWaalsContact O-N 3.08Å
461	T	85.5	Confident	88.2	Confident	94 Å²	94	42.9 Å²	42.9	58%	0.577	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	-93.4	-8.4	-179.5	61.5	0	0	0	0	113.1	E458 V459	E458-T461 HydrophobicContact CB-CG2 4.26Å; E458-T461 PolarHBondContact O-N 2.84Å; E458-T461 PolarHBondContact O-OG1 2.91Å; V459-T461 VanDerWaalsContact C-N 3.31Å; V459-T461 PolarHBondContact O-N 2.86Å
462	L	86.2	Confident	88.4	Confident	19 Å²	19	43 Å²	43	10%	0.099	23%	0.232	C	C	.	.			trans	-67.5	140.6	-178.7	-61.6	-178.5	0	0	0	111.4	V424 I454 Q457 V459 E466 L467 V470	V424-L462 HydrophobicContact CG2-CD1 3.74Å; V424-L462 HydrophobicContact CG2-CD2 4.32Å; V424-L462 HydrophobicContact CG2-CG 4.44Å; I454-L462 HydrophobicContact CB-CD2 4.2Å; I454-L462 HydrophobicContact CD1-CD2 4.39Å; Q457-L462 HydrophobicContact CB-CD2 4.01Å; V459-L462 HydrophobicContact CG1-CD1 4.43Å; L462-E466 HydrophobicContact CB-CB 3.9Å; L462-E466 HydrophobicContact CD2-CB 4.08Å; L462-E466 HydrophobicContact CG-CB 4.38Å; L462-L467 HydrophobicContact CB-CB 4.43Å; L462-L467 HydrophobicContact CD1-CD1 4.36Å; L462-V470 HydrophobicContact CD1-CG2 4.01Å
463	S	84.7	Confident	88.8	Confident	54 Å²	54	38.4 Å²	38.4	38%	0.378	21%	0.21	S	C	.	.			trans	-64.8	163	165.7	62.7	0	0	0	0	111.7	G465 E466 L467	S463-G465 VanDerWaalsContact C-N 3.29Å; S463-G465 PolarHBondContact O-N 3.39Å; S463-E466 WeakPolarHBondContact CB-OE2 3.39Å; S463-E466 PolarHBondContact N-OE2 3.2Å; S463-E466 PolarHBondContact O-N 2.84Å; S463-E466 VanDerWaalsContact O-N 3.15Å; S463-E466 WeakPolarHBondContact OG-CB 3.43Å; S463-E466 VanDerWaalsContact OG-CG 3.29Å; S463-E466 WeakPolarHBondContact OG-CG 3.23Å; S463-E466 PolarHBondContact OG-N 3.36Å; S463-E466 PolarHBondContact OG-OE2 2.92Å; S463-L467 WeakPolarHBondContact O-CB 3.48Å; S463-L467 PolarHBondContact O-N 3.19Å
464	G	83.7	Confident	89.2	Confident	23 Å²	23	34.7 Å²	34.7	24%	0.237	19%	0.19	C	C	.	.	H	α-helix	trans	-54.8	-42.8	177.8	0	0	0	0	0	113.1	L467 Q468	G464-L467 PolarHBondContact O-N 3.33Å; G464-Q468 WeakPolarHBondContact O-CB 3.24Å; G464-Q468 PolarHBondContact O-N 2.92Å
465	G	87.4	Confident	89.5	Confident	5 Å²	5	34.7 Å²	34.7	5%	0.052	19%	0.191	C	C	.	.	H	α-helix	trans	-69.7	-35.8	177.6	0	0	0	0	0	113.5	S463 Q468 R469	S463-G465 VanDerWaalsContact C-N 3.29Å; S463-G465 PolarHBondContact O-N 3.39Å; G465-Q468 PolarHBondContact O-N 2.89Å; G465-R469 WeakPolarHBondContact O-CG 3.48Å; G465-R469 PolarHBondContact O-N 3.42Å; G465-R469 PolarHBondContact O-NE 2.99Å
466	E	90.2	Very high	89.9	Confident	41 Å²	41	33.7 Å²	33.7	19%	0.192	19%	0.186	C	C	.	.	H	α-helix	trans	-65.3	-45.5	172.1	-77.1	162.6	157.6	0	0	111.8	I454 L462 S463 Q468 R469 V470	I454-E466 HydrophobicContact CD1-CB 4.03Å; I454-E466 HydrophobicContact CD1-CG 4.17Å; I454-E466 HydrophobicContact CG2-CG 4.14Å; L462-E466 HydrophobicContact CB-CB 3.9Å; L462-E466 HydrophobicContact CD2-CB 4.08Å; L462-E466 HydrophobicContact CG-CB 4.38Å; S463-E466 WeakPolarHBondContact CB-OE2 3.39Å; S463-E466 PolarHBondContact N-OE2 3.2Å; S463-E466 PolarHBondContact O-N 2.84Å; S463-E466 VanDerWaalsContact O-N 3.15Å; S463-E466 WeakPolarHBondContact OG-CB 3.43Å; S463-E466 VanDerWaalsContact OG-CG 3.29Å; S463-E466 WeakPolarHBondContact OG-CG 3.23Å; S463-E466 PolarHBondContact OG-N 3.36Å; S463-E466 PolarHBondContact OG-OE2 2.92Å; E466-Q468 VanDerWaalsContact C-N 3.27Å; E466-Q468 PolarHBondContact O-N 3.24Å; E466-R469 PolarHBondContact O-N 3.48Å; E466-V470 WeakPolarHBondContact O-CG2 3.44Å; E466-V470 PolarHBondContact O-N 3.33Å
467	L	91.3	Very high	90.2	Very high	19 Å²	19	28.8 Å²	28.8	10%	0.099	16%	0.161	C	C	.	.	H	α-helix	trans	-61.1	-39.8	177.4	-170.9	67.8	0	0	0	111.3	I416 P418 V459 L462 S463 G464 V470 A471	I416-L467 HydrophobicContact CB-CD2 3.9Å; I416-L467 HydrophobicContact CB-CG 4.15Å; I416-L467 HydrophobicContact CG2-CD1 4.13Å; I416-L467 HydrophobicContact CG2-CD2 3.65Å; I416-L467 HydrophobicContact CG2-CG 3.59Å; P418-L467 HydrophobicContact CB-CD1 4.43Å; P418-L467 HydrophobicContact CB-CD2 4.49Å; V459-L467 HydrophobicContact CG1-CD1 3.81Å; L462-L467 HydrophobicContact CB-CB 4.43Å; L462-L467 HydrophobicContact CD1-CD1 4.36Å; S463-L467 WeakPolarHBondContact O-CB 3.48Å; S463-L467 PolarHBondContact O-N 3.19Å; G464-L467 PolarHBondContact O-N 3.33Å; L467-V470 PolarHBondContact O-N 2.96Å; L467-A471 WeakPolarHBondContact O-CB 3.34Å; L467-A471 PolarHBondContact O-N 3.15Å
468	Q	91.9	Very high	90.5	Very high	3 Å²	3	31.8 Å²	31.8	1%	0.014	17%	0.173	C	C	.	.	H	α-helix	trans	-61.5	-46.1	174.7	-173.7	77.2	5.2	0	0	112.1	K412 I416 G464 G465 E466 A471 L472 E487 P488 A490 L492	K412-Q468 VanDerWaalsContact CE-NE2 3.27Å; K412-Q468 VanDerWaalsContact NZ-NE2 3.11Å; K412-Q468 VanDerWaalsContact NZ-OE1 3.16Å; I416-Q468 HydrophobicContact CD1-CB 4.24Å; G464-Q468 WeakPolarHBondContact O-CB 3.24Å; G464-Q468 PolarHBondContact O-N 2.92Å; G465-Q468 PolarHBondContact O-N 2.89Å; E466-Q468 VanDerWaalsContact C-N 3.27Å; E466-Q468 PolarHBondContact O-N 3.24Å; Q468-A471 PolarHBondContact O-N 2.97Å; Q468-L472 WeakPolarHBondContact O-CB 3.4Å; Q468-L472 PolarHBondContact O-N 3.13Å; Q468-E487 PolarHBondContact NE2-O 2.86Å; Q468-P488 WeakPolarHBondContact CG-O 3.42Å; Q468-P488 PolarHBondContact NE2-O 3.33Å; Q468-A490 WeakPolarHBondContact CG-O 3.33Å; Q468-L492 HydrophobicContact CB-CD2 4.05Å; Q468-L492 HydrophobicContact CG-CD1 4.35Å; Q468-L492 HydrophobicContact CG-CD2 3.99Å; Q468-L492 HydrophobicContact CG-CG 4.02Å
469	R	94	Very high	90.6	Very high	16 Å²	16	31.6 Å²	31.6	6%	0.06	18%	0.182	C	C	.	.	H	α-helix	trans	-62.7	-42.6	176.7	-70.1	-179	-62.8	151	-12.8	111.9	L449 I451 G465 E466 L472 A473 L492	L449-R469 HydrophobicContact CB-CB 4.46Å; L449-R469 HydrophobicContact CD2-CG 4.48Å; L449-R469 WeakPolarHBondContact O-CD 3.33Å; L449-R469 PolarHBondContact O-NH1 3.1Å; I451-R469 HydrophobicContact CD1-CB 3.83Å; G465-R469 WeakPolarHBondContact O-CG 3.48Å; G465-R469 PolarHBondContact O-N 3.42Å; G465-R469 PolarHBondContact O-NE 2.99Å; E466-R469 PolarHBondContact O-N 3.48Å; R469-L472 PolarHBondContact O-N 3.22Å; R469-A473 WeakPolarHBondContact O-CB 3.32Å; R469-A473 PolarHBondContact O-N 3.39Å; R469-L492 HydrophobicContact CG-CD2 3.88Å
470	V	93.5	Very high	90.7	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.012	18%	0.183	C	C	.	.	H	α-helix	trans	-63.2	-44.4	175.4	173.8	0	0	0	0	111.1	V424 L427 I451 I454 L462 E466 L467 L472 A473 L474	V424-V470 HydrophobicContact CG1-CG1 4.23Å; V424-V470 HydrophobicContact CG1-CG2 3.92Å; V424-V470 HydrophobicContact CG2-CG2 4.25Å; L427-V470 HydrophobicContact CD2-CG1 3.98Å; I451-V470 HydrophobicContact CD1-CG2 4.11Å; I454-V470 HydrophobicContact CD1-CG2 3.64Å; L462-V470 HydrophobicContact CD1-CG2 4.01Å; E466-V470 WeakPolarHBondContact O-CG2 3.44Å; E466-V470 PolarHBondContact O-N 3.33Å; L467-V470 PolarHBondContact O-N 2.96Å; V470-L472 VanDerWaalsContact C-N 3.33Å; V470-L472 PolarHBondContact O-N 2.8Å; V470-A473 PolarHBondContact O-N 3.01Å; V470-L474 HydrophobicContact CG1-CD1 3.99Å; V470-L474 HydrophobicContact CG1-CG 4.41Å; V470-L474 VanDerWaalsContact O-CG 3.3Å; V470-L474 WeakPolarHBondContact O-CG 3.2Å; V470-L474 PolarHBondContact O-N 3.41Å
471	A	93.6	Very high	90.9	Very high	16 Å²	16	28.2 Å²	28.2	13%	0.132	17%	0.168	C	C	.	.	H	α-helix	trans	-63.8	-38.3	178	0	0	0	0	0	112.5	K412 I416 L467 Q468 L474 C475	K412-A471 HydrophobicContact CG-CB 4.3Å; I416-A471 HydrophobicContact CD1-CB 3.44Å; I416-A471 VanDerWaalsContact CD1-CB 3.44Å; I416-A471 HydrophobicContact CG1-CB 4.11Å; I416-A471 HydrophobicContact CG2-CB 4.26Å; L467-A471 WeakPolarHBondContact O-CB 3.34Å; L467-A471 PolarHBondContact O-N 3.15Å; Q468-A471 PolarHBondContact O-N 2.97Å; A471-L474 PolarHBondContact O-N 2.75Å; A471-C475 WeakPolarHBondContact O-CB 3.29Å; A471-C475 PolarHBondContact O-N 2.91Å
472	L	94.8	Very high	91.3	Very high	2 Å²	2	24.1 Å²	24.1	1%	0.01	14%	0.143	C	C	.	.	H	α-helix	trans	-64.8	-46	174.4	-172.1	61.8	0	0	0	111.1	L449 Q468 R469 V470 L474 C475 L476 I485 A500 V504	L449-L472 HydrophobicContact CD1-CB 4.39Å; L449-L472 HydrophobicContact CD1-CD2 4.22Å; L449-L472 HydrophobicContact CD1-CG 4.35Å; L449-L472 HydrophobicContact CD2-CD2 4.19Å; Q468-L472 WeakPolarHBondContact O-CB 3.4Å; Q468-L472 PolarHBondContact O-N 3.13Å; R469-L472 PolarHBondContact O-N 3.22Å; V470-L472 VanDerWaalsContact C-N 3.33Å; V470-L472 PolarHBondContact O-N 2.8Å; L472-L474 VanDerWaalsContact C-N 3.35Å; L472-L474 PolarHBondContact O-N 2.76Å; L472-C475 WeakPolarHBondContact O-CB 3.32Å; L472-C475 PolarHBondContact O-N 3.39Å; L472-L476 HydrophobicContact CD1-CD1 4.36Å; L472-L476 HydrophobicContact CD1-CG 4.45Å; L472-L476 HydrophobicContact CG-CD1 4.15Å; L472-L476 WeakPolarHBondContact O-CG 3.4Å; L472-L476 PolarHBondContact O-N 3.12Å; L472-I485 HydrophobicContact CD1-CD1 4.08Å; L472-I485 HydrophobicContact CD1-CG2 3.92Å; L472-A500 HydrophobicContact CD2-CB 3.83Å; L472-V504 HydrophobicContact CD1-CG2 3.88Å; L472-V504 HydrophobicContact CD2-CG2 4.14Å; L472-V504 HydrophobicContact CG-CG2 4.42Å
473	A	94.6	Very high	91.7	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-60.2	-42.3	176.1	0	0	0	0	0	112.3	F441 V445 M446 L449 I451 R469 V470 C475 L476 G477	F441-A473 WeakPolarHBondContact CZ-O 3.46Å; V445-A473 HydrophobicContact CG1-CB 4.1Å; M446-A473 HydrophobicContact SD-CB 4.37Å; L449-A473 HydrophobicContact CD1-CB 4.17Å; I451-A473 HydrophobicContact CD1-CB 4.38Å; I451-A473 HydrophobicContact CG1-CB 4.23Å; R469-A473 WeakPolarHBondContact O-CB 3.32Å; R469-A473 PolarHBondContact O-N 3.39Å; V470-A473 PolarHBondContact O-N 3.01Å; A473-C475 PolarHBondContact O-N 3.07Å; A473-L476 PolarHBondContact O-N 3.09Å; A473-G477 PolarHBondContact O-N 2.82Å
474	L	93.7	Very high	92.2	Very high	24 Å²	24	21 Å²	21	13%	0.126	12%	0.122	C	C	.	.	H	α-helix	trans	-63.8	-39.7	175	-72.3	169	0	0	0	112.7	L427 L428 K431 I432 V470 A471 L472 K478	L427-L474 HydrophobicContact CD2-CD1 3.57Å; L427-L474 HydrophobicContact CG-CD1 4.07Å; L428-L474 HydrophobicContact CD2-CD2 3.82Å; L428-L474 HydrophobicContact CD2-CG 4.23Å; K431-L474 HydrophobicContact CB-CD2 3.92Å; K431-L474 HydrophobicContact CD-CD2 4.19Å; I432-L474 HydrophobicContact CD1-CD2 4.29Å; I432-L474 HydrophobicContact CG1-CD2 4.11Å; I432-L474 HydrophobicContact CG2-CD2 4.37Å; V470-L474 HydrophobicContact CG1-CD1 3.99Å; V470-L474 HydrophobicContact CG1-CG 4.41Å; V470-L474 VanDerWaalsContact O-CG 3.3Å; V470-L474 WeakPolarHBondContact O-CG 3.2Å; V470-L474 PolarHBondContact O-N 3.41Å; A471-L474 PolarHBondContact O-N 2.75Å; L472-L474 VanDerWaalsContact C-N 3.35Å; L472-L474 PolarHBondContact O-N 2.76Å; L474-K478 PolarHBondContact O-N 2.69Å
475	C	94.2	Very high	92.8	Very high	6 Å²	6	20 Å²	20	4%	0.041	11%	0.11	C	C	.	.	H	α-helix	trans	-63.7	-49.2	178.3	-173.8	0	0	0	0	110.9	S410 K412 A471 L472 A473 K478 Y483	S410-C475 WeakPolarHBondContact CB-O 3.32Å; S410-C475 PolarHBondContact OG-O 3.42Å; S410-C475 PolarHBondContact OG-SG 2.76Å; K412-C475 HydrophobicContact CB-CB 3.86Å; A471-C475 WeakPolarHBondContact O-CB 3.29Å; A471-C475 PolarHBondContact O-N 2.91Å; L472-C475 WeakPolarHBondContact O-CB 3.32Å; L472-C475 PolarHBondContact O-N 3.39Å; A473-C475 PolarHBondContact O-N 3.07Å; C475-K478 PolarHBondContact O-N 3.4Å; C475-Y483 WeakPolarHBondContact O-CD1 3.39Å; C475-Y483 VanDerWaalsContact O-CE1 3.24Å; C475-Y483 WeakPolarHBondContact O-CE1 3.41Å
476	L	94.6	Very high	93.1	Very high	2 Å²	2	19.7 Å²	19.7	1%	0.01	11%	0.108	C	C	.	.	H	α-helix	trans	-71	-30.5	-179.8	-60.9	175.5	0	0	0	112.4	F441 V445 L472 A473 K478 Y483 I485 V503 V504 F507	F441-L476 HydrophobicContact CE2-CB 4.2Å; V445-L476 HydrophobicContact CG1-CD1 4.17Å; V445-L476 HydrophobicContact CG2-CD1 4.27Å; L472-L476 HydrophobicContact CD1-CD1 4.36Å; L472-L476 HydrophobicContact CD1-CG 4.45Å; L472-L476 HydrophobicContact CG-CD1 4.15Å; L472-L476 WeakPolarHBondContact O-CG 3.4Å; L472-L476 PolarHBondContact O-N 3.12Å; A473-L476 PolarHBondContact O-N 3.09Å; L476-K478 VanDerWaalsContact C-N 3.33Å; L476-Y483 HydrophobicContact CD2-CD1 4.22Å; L476-I485 HydrophobicContact CD2-CD1 4.27Å; L476-V503 HydrophobicContact CD1-CG1 3.83Å; L476-V504 HydrophobicContact CD1-CG2 4.3Å; L476-F507 HydrophobicContact CB-CD1 4.14Å; L476-F507 HydrophobicContact CB-CE1 4.07Å; L476-F507 HydrophobicContact CB-CG 4.42Å; L476-F507 HydrophobicContact CB-CZ 4.32Å; L476-F507 HydrophobicContact CD2-CD1 3.67Å; L476-F507 HydrophobicContact CD2-CE1 4.06Å; L476-F507 HydrophobicContact CD2-CG 4.37Å; L476-F507 HydrophobicContact CG-CD1 4.34Å; L476-F507 WeakPolarHBondContact O-CE1 3.39Å; L476-F507 WeakPolarHBondContact O-CZ 3.35Å
477	G	93	Very high	93.1	Very high	6 Å²	6	18.4 Å²	18.4	6%	0.062	10%	0.102	C	C	.	.	H	α-helix	trans	-76.7	-17.8	179.3	0	0	0	0	0	114.3	I432 A435 F441 A473	I432-G477 VanDerWaalsContact CG2-C 3.44Å; A435-G477 WeakPolarHBondContact CB-O 3.39Å; F441-G477 VanDerWaalsContact CE2-CA 3.48Å; F441-G477 VanDerWaalsContact CZ-CA 3.44Å; A473-G477 PolarHBondContact O-N 2.82Å
478	K	91.9	Very high	93.2	Very high	106 Å²	106	17.5 Å²	17.5	46%	0.461	10%	0.097	S	C	.	.	S	Bend	trans	-80.4	123.4	177.2	-173.2	-176.7	179.7	-166.6	0	109.2	I432 L474 C475 L476 A480 Y483	I432-K478 HydrophobicContact CG2-CB 4.42Å; L474-K478 PolarHBondContact O-N 2.69Å; C475-K478 PolarHBondContact O-N 3.4Å; L476-K478 VanDerWaalsContact C-N 3.33Å; K478-A480 PolarHBondContact O-N 3.13Å; K478-A480 VanDerWaalsContact O-N 3.14Å; K478-Y483 WeakPolarHBondContact O-CE1 3.37Å; K478-Y483 PolarHBondContact O-OH 2.81Å
479	P	89.4	Confident	93.1	Very high	111 Å²	111	17.6 Å²	17.6	72%	0.721	10%	0.098	S	C	*	.			trans	-61.9	119.8	179.7	25.7	-33.5	0	0	0	110.2
480	A	91.2	Very high	92.7	Very high	5 Å²	5	17.6 Å²	17.6	4%	0.041	10%	0.102	C	C	.	.			trans	-148.8	155.2	179.5	0	0	0	0	0	110.8	N408 S410 K478 Y483 K513	N408-A480 CarbonylContact O-C 3.58Å; N408-A480 WeakPolarHBondContact O-CB 3.31Å; S410-A480 VanDerWaalsContact N-CB 3.3Å; K478-A480 PolarHBondContact O-N 3.13Å; K478-A480 VanDerWaalsContact O-N 3.14Å; A480-Y483 HydrophobicContact CB-CE1 4.15Å; A480-Y483 HydrophobicContact CB-CE2 4.29Å; A480-Y483 PolarHBondContact N-OH 3.45Å; A480-Y483 WeakPolarHBondContact O-CE2 3.49Å; A480-K513 WeakPolarHBondContact O-CE 3.5Å
481	D	90	Very high	92.2	Very high	38 Å²	38	21 Å²	21	20%	0.203	12%	0.115	C	C	.	.	S	Bend	trans	-84.5	-34.6	171.6	-58.8	-52.7	0	0	0	110.8	L407 N408 K513 T514	L407-D481 HydrophobicContact CB-CB 4.36Å; L407-D481 HydrophobicContact CD2-CB 4.29Å; N408-D481 WeakPolarHBondContact CB-OD2 3.45Å; N408-D481 PolarHBondContact N-OD2 2.7Å; N408-D481 PolarHBondContact O-N 3.49Å; D481-K513 IonicContact OD1-NZ 3.76Å; D481-K513 PolarHBondContact OD1-NZ 3.19Å; D481-T514 PolarHBondContact O-N 2.93Å
482	V	92.7	Very high	92	Very high	8 Å²	8	20.3 Å²	20.3	5%	0.048	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	127.4	177.8	-174.9	0	0	0	0	110.7	F369 L407 N408 V409 S410 L484 T514 F516	F369-V482 HydrophobicContact CE2-CG2 4.15Å; F369-V482 HydrophobicContact CZ-CG2 4.43Å; L407-V482 HydrophobicContact CB-CG2 4.37Å; L407-V482 HydrophobicContact CD1-CG2 3.8Å; N408-V482 PolarHBondContact O-N 3.43Å; N408-V482 VanDerWaalsContact O-N 3.16Å; V409-V482 WeakPolarHBondContact CA-O 3.25Å; V409-V482 HydrophobicContact CG2-CB 4.44Å; S410-V482 PolarHBondContact N-O 2.76Å; V482-L484 HydrophobicContact CG1-CD2 3.75Å; V482-L484 HydrophobicContact CG1-CG 4.43Å; V482-T514 WeakPolarHBondContact CA-O 3.36Å; V482-F516 HydrophobicContact CG1-CD2 3.63Å; V482-F516 HydrophobicContact CG1-CE2 3.95Å
483	Y	95.8	Very high	91.8	Very high	9 Å²	9	20.4 Å²	20.4	4%	0.035	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	117.8	174.8	-65.2	-93.8	0	0	0	110.2	C475 L476 K478 A480 F507 I508 K513 T514 A515 F516	C475-Y483 WeakPolarHBondContact O-CD1 3.39Å; C475-Y483 VanDerWaalsContact O-CE1 3.24Å; C475-Y483 WeakPolarHBondContact O-CE1 3.41Å; L476-Y483 HydrophobicContact CD2-CD1 4.22Å; K478-Y483 WeakPolarHBondContact O-CE1 3.37Å; K478-Y483 PolarHBondContact O-OH 2.81Å; A480-Y483 HydrophobicContact CB-CE1 4.15Å; A480-Y483 HydrophobicContact CB-CE2 4.29Å; A480-Y483 PolarHBondContact N-OH 3.45Å; A480-Y483 WeakPolarHBondContact O-CE2 3.49Å; Y483-F507 HydrophobicContact CE1-CE1 4.02Å; Y483-F507 HydrophobicContact CE2-CE1 4.02Å; Y483-F507 AromaticContact CZ-CE1 3.65Å; Y483-I508 HydrophobicContact CD2-CD1 3.51Å; Y483-I508 HydrophobicContact CE2-CD1 4.16Å; Y483-I508 HydrophobicContact CG-CD1 3.99Å; Y483-K513 HydrophobicContact CD2-CB 4.15Å; Y483-K513 HydrophobicContact CE2-CB 3.8Å; Y483-K513 HydrophobicContact CE2-CG 3.99Å; Y483-T514 PolarHBondContact N-O 2.8Å; Y483-A515 CarbonylContact O-C 3.48Å; Y483-A515 WeakPolarHBondContact O-CA 3.24Å; Y483-F516 PolarHBondContact O-N 3.21Å
484	L	95.6	Very high	91.4	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	115.2	176.4	-53.2	179.4	0	0	0	108.7	I389 L392 A393 V409 S410 Y411 K412 V482 F516	I389-L484 HydrophobicContact CG2-CB 4.11Å; I389-L484 HydrophobicContact CG2-CD1 4.06Å; I389-L484 VanDerWaalsContact O-CD1 3.29Å; I389-L484 WeakPolarHBondContact O-CD1 3.41Å; L392-L484 HydrophobicContact CB-CD1 4.09Å; L392-L484 HydrophobicContact CB-CD2 4.28Å; L392-L484 HydrophobicContact CD1-CD2 4.3Å; A393-L484 HydrophobicContact CB-CD1 3.66Å; V409-L484 HydrophobicContact CG1-CD1 3.4Å; V409-L484 VanDerWaalsContact CG1-CD1 3.4Å; V409-L484 HydrophobicContact CG1-CG 3.58Å; S410-L484 PolarHBondContact O-N 3.38Å; Y411-L484 WeakPolarHBondContact CA-O 3.48Å; Y411-L484 HydrophobicContact CD2-CB 3.82Å; K412-L484 PolarHBondContact N-O 2.85Å; V482-L484 HydrophobicContact CG1-CD2 3.75Å; V482-L484 HydrophobicContact CG1-CG 4.43Å; L484-F516 CarbonylContact C-O 3.55Å; L484-F516 WeakPolarHBondContact CA-O 3.35Å; L484-F516 HydrophobicContact CD2-CB 3.62Å; L484-F516 HydrophobicContact CD2-CD2 3.91Å; L484-F516 HydrophobicContact CD2-CG 4.03Å
485	I	95.8	Very high	91.1	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	104.9	-174.5	-44.1	-178.1	0	0	0	109	K412 L472 L476 P488 V504 F516 V517 V518	K412-I485 HydrophobicContact CB-CG2 4.24Å; K412-I485 HydrophobicContact CD-CG2 4.23Å; L472-I485 HydrophobicContact CD1-CD1 4.08Å; L472-I485 HydrophobicContact CD1-CG2 3.92Å; L476-I485 HydrophobicContact CD2-CD1 4.27Å; I485-P488 HydrophobicContact CB-CG 4.45Å; I485-P488 HydrophobicContact CG2-CB 3.7Å; I485-P488 HydrophobicContact CG2-CG 3.6Å; I485-V504 HydrophobicContact CD1-CG1 3.88Å; I485-V504 HydrophobicContact CD1-CG2 3.97Å; I485-F516 PolarHBondContact N-O 3.26Å; I485-V517 HydrophobicContact CB-CG1 4.44Å; I485-V517 HydrophobicContact CB-CG2 4.26Å; I485-V517 HydrophobicContact CD1-CG2 4.38Å; I485-V517 HydrophobicContact CG1-CG2 4.49Å; I485-V517 CarbonylContact O-C 3.55Å; I485-V517 VanDerWaalsContact O-CA 3.31Å; I485-V517 WeakPolarHBondContact O-CA 3.39Å; I485-V518 PolarHBondContact O-N 3.37Å
486	D	93.4	Very high	90.9	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	110.8	-177.9	-159	-6.5	0	0	0	110	T386 I389 Y411 K412 Q414 V518	T386-D486 WeakPolarHBondContact CG2-OD2 3.38Å; T386-D486 PolarHBondContact OG1-OD2 2.92Å; I389-D486 HydrophobicContact CD1-CB 4.05Å; Y411-D486 HydrophobicContact CE2-CB 4.08Å; K412-D486 WeakPolarHBondContact CD-O 3.44Å; K412-D486 PolarHBondContact NZ-O 3.11Å; K412-D486 WeakPolarHBondContact O-CB 3.37Å; K412-D486 PolarHBondContact O-N 2.81Å; K412-D486 VanDerWaalsContact O-N 3.09Å; Q414-D486 HydrophobicContact CB-CB 4.29Å; D486-V518 WeakPolarHBondContact OD1-CB 3.18Å
487	E	91.1	Very high	90.7	Very high	13 Å²	13	23.3 Å²	23.3	6%	0.061	12%	0.122	C	C	.	.			trans	50.2	68.2	-178.5	-64.4	177.6	-172.9	0	0	114.1	K412 Q414 Q468 S489 V518 H520	K412-E487 PolarHBondContact NZ-O 2.72Å; Q414-E487 HydrophobicContact CG-CB 4.38Å; Q414-E487 HydrophobicContact CG-CG 4.34Å; Q414-E487 VanDerWaalsContact CG-OE2 3.31Å; Q414-E487 WeakPolarHBondContact CG-OE2 2.98Å; Q414-E487 PolarHBondContact NE2-OE1 2.97Å; Q414-E487 PolarHBondContact NE2-OE2 2.9Å; Q468-E487 PolarHBondContact NE2-O 2.86Å; E487-S489 VanDerWaalsContact C-N 3.28Å; E487-S489 PolarHBondContact O-N 3.4Å; E487-V518 VanDerWaalsContact CA-O 3.24Å; E487-V518 WeakPolarHBondContact CA-O 3.45Å; E487-V518 HydrophobicContact CG-CG1 4.16Å; E487-V518 PolarHBondContact N-O 2.91Å; E487-H520 IonicContact OE1-CD2 2.7Å; E487-H520 PolarHBondContact OE1-CD2 3.33Å; E487-H520 IonicContact OE1-NE2 3.78Å
488	P	92.3	Very high	90.5	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.006	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-25.7	174.1	16.8	-22.3	0	0	0	114.8	Q468 I485 A490 L492 V517 V518 E519 M524	Q468-P488 WeakPolarHBondContact CG-O 3.42Å; Q468-P488 PolarHBondContact NE2-O 3.33Å; I485-P488 HydrophobicContact CB-CG 4.45Å; I485-P488 HydrophobicContact CG2-CB 3.7Å; I485-P488 HydrophobicContact CG2-CG 3.6Å; P488-A490 PolarHBondContact O-N 3.14Å; P488-L492 WeakPolarHBondContact O-CD1 3.21Å; P488-V517 HydrophobicContact CG-CG1 3.71Å; P488-V518 WeakPolarHBondContact CD-O 3.07Å; P488-E519 WeakPolarHBondContact CD-OE1 3.18Å; P488-E519 HydrophobicContact CG-CG 4.1Å; P488-E519 WeakPolarHBondContact CG-OE1 3.49Å; P488-M524 HydrophobicContact CB-CE 3.78Å; P488-M524 HydrophobicContact CG-CE 3.74Å
489	S	89.6	Confident	90.4	Very high	4 Å²	4	21.4 Å²	21.4	3%	0.028	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-15.8	-178	61.9	0	0	0	0	115.4	E487 Y491 L492 R497 E519	E487-S489 VanDerWaalsContact C-N 3.28Å; E487-S489 PolarHBondContact O-N 3.4Å; S489-Y491 PolarHBondContact O-N 3.49Å; S489-L492 WeakPolarHBondContact O-CB 3.35Å; S489-L492 PolarHBondContact O-N 3.31Å; S489-L492 VanDerWaalsContact O-N 3.15Å; S489-R497 PolarHBondContact O-NE 3.35Å; S489-E519 WeakPolarHBondContact CB-OE1 3.44Å; S489-E519 WeakPolarHBondContact CB-OE2 3.24Å; S489-E519 PolarHBondContact N-OE1 2.84Å; S489-E519 VanDerWaalsContact OG-CD 3.27Å; S489-E519 PolarHBondContact OG-OE1 2.89Å; S489-E519 VanDerWaalsContact OG-OE1 3.08Å; S489-E519 PolarHBondContact OG-OE2 2.93Å
490	A	85.5	Confident	90.5	Very high	17 Å²	17	16.1 Å²	16.1	14%	0.14	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	133.3	-177.5	0	0	0	0	0	111.6	Q468 P488 L492	Q468-A490 WeakPolarHBondContact CG-O 3.33Å; P488-A490 PolarHBondContact O-N 3.14Å; A490-L492 PolarHBondContact O-N 3.41Å
491	Y	83.4	Confident	90.5	Very high	72 Å²	72	15.9 Å²	15.9	28%	0.282	8%	0.078	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.8	-3.4	-177.3	-55	-80.3	0	0	0	117.2	N112 Y246 S489	N112-Y491 PolarHBondContact ND2-O 2.88Å; Y246-Y491 PolarHBondContact OH-OH 3.14Å; S489-Y491 PolarHBondContact O-N 3.49Å
492	L	90.1	Very high	90.5	Very high	2 Å²	2	20.6 Å²	20.6	1%	0.01	9%	0.093	C	C	.	.			trans	-81.6	136.9	175.7	-60.1	-173.1	0	0	0	109.4	Q468 R469 P488 S489 A490 Q496 R497 A500	Q468-L492 HydrophobicContact CB-CD2 4.05Å; Q468-L492 HydrophobicContact CG-CD1 4.35Å; Q468-L492 HydrophobicContact CG-CD2 3.99Å; Q468-L492 HydrophobicContact CG-CG 4.02Å; R469-L492 HydrophobicContact CG-CD2 3.88Å; P488-L492 WeakPolarHBondContact O-CD1 3.21Å; S489-L492 WeakPolarHBondContact O-CB 3.35Å; S489-L492 PolarHBondContact O-N 3.31Å; S489-L492 VanDerWaalsContact O-N 3.15Å; A490-L492 PolarHBondContact O-N 3.41Å; L492-Q496 HydrophobicContact CB-CB 3.83Å; L492-Q496 HydrophobicContact CD1-CB 4.46Å; L492-Q496 HydrophobicContact CD2-CB 4.11Å; L492-Q496 HydrophobicContact CG-CB 4.34Å; L492-R497 HydrophobicContact CB-CG 3.69Å; L492-R497 PolarHBondContact O-NE 3.47Å; L492-A500 HydrophobicContact CD1-CB 3.77Å
493	D	89.2	Confident	90.5	Very high	4 Å²	4	20.4 Å²	20.4	2%	0.021	9%	0.091	C	C	.	.			trans	-68.3	169.4	166.9	64	48.8	0	0	0	111.5	T111 N112 H274 E495 Q496 R497	T111-D493 WeakPolarHBondContact CA-OD2 3.48Å; N112-D493 PolarHBondContact N-OD2 3.11Å; H274-D493 WeakPolarHBondContact CE1-CB 3.32Å; H274-D493 WeakPolarHBondContact ND1-CA 3.48Å; D493-E495 PolarHBondContact O-N 3.42Å; D493-E495 PolarHBondContact OD1-N 2.94Å; D493-E495 VanDerWaalsContact OD1-N 3.12Å; D493-Q496 PolarHBondContact O-N 3.09Å; D493-Q496 VanDerWaalsContact O-N 3.17Å; D493-Q496 WeakPolarHBondContact OD1-CB 3.41Å; D493-Q496 VanDerWaalsContact OD1-CG 3.31Å; D493-Q496 WeakPolarHBondContact OD1-CG 3.46Å; D493-Q496 PolarHBondContact OD1-N 2.98Å; D493-R497 VanDerWaalsContact O-CG 3.31Å; D493-R497 WeakPolarHBondContact O-CG 3.37Å; D493-R497 PolarHBondContact O-N 2.79Å
494	S	87.1	Confident	90.4	Very high	3 Å²	3	20 Å²	20	2%	0.021	9%	0.09	C	C	.	.	H	α-helix	trans	-58.9	-33.1	-175.5	43.8	0	0	0	0	113.1	H274 F312 L498	H274-S494 PolarHBondContact ND1-N 3.47Å; H274-S494 WeakPolarHBondContact O-CB 3.42Å; F312-S494 WeakPolarHBondContact CE1-OG 3.33Å; F312-S494 WeakPolarHBondContact CZ-OG 3.35Å; S494-L498 WeakPolarHBondContact O-CD1 3.19Å; S494-L498 VanDerWaalsContact O-CG 3.29Å; S494-L498 WeakPolarHBondContact O-CG 3.39Å
495	E	87.2	Confident	90.2	Very high	47 Å²	47	21.9 Å²	21.9	22%	0.22	10%	0.098	C	C	.	.	H	α-helix	trans	-74.9	-45.4	176.3	-176	169.9	143.7	0	0	111.2	T111 R325 D493 R497 L498 M499	T111-E495 HydrophobicContact CG2-CB 4.14Å; R325-E495 IonicContact CZ-OE2 2.69Å; R325-E495 IonicContact NH1-OE2 3.4Å; R325-E495 PolarHBondContact NH1-OE2 3.16Å; D493-E495 PolarHBondContact O-N 3.42Å; D493-E495 PolarHBondContact OD1-N 2.94Å; D493-E495 VanDerWaalsContact OD1-N 3.12Å; E495-R497 VanDerWaalsContact C-N 3.31Å; E495-R497 PolarHBondContact O-N 3Å; E495-L498 PolarHBondContact O-N 3.26Å; E495-M499 WeakPolarHBondContact O-CG 3.44Å; E495-M499 PolarHBondContact O-N 2.88Å
496	Q	90.2	Very high	89.9	Confident	35 Å²	35	27.1 Å²	27.1	16%	0.164	12%	0.118	C	C	.	.	H	α-helix	trans	-62.3	-36.6	177.5	-72.8	176.7	-10.6	0	0	112.4	L492 D493 L498 M499 A500	L492-Q496 HydrophobicContact CB-CB 3.83Å; L492-Q496 HydrophobicContact CD1-CB 4.46Å; L492-Q496 HydrophobicContact CD2-CB 4.11Å; L492-Q496 HydrophobicContact CG-CB 4.34Å; D493-Q496 PolarHBondContact O-N 3.09Å; D493-Q496 VanDerWaalsContact O-N 3.17Å; D493-Q496 WeakPolarHBondContact OD1-CB 3.41Å; D493-Q496 VanDerWaalsContact OD1-CG 3.31Å; D493-Q496 WeakPolarHBondContact OD1-CG 3.46Å; D493-Q496 PolarHBondContact OD1-N 2.98Å; Q496-L498 VanDerWaalsContact C-N 3.33Å; Q496-L498 PolarHBondContact O-N 3.29Å; Q496-M499 PolarHBondContact O-N 3.23Å; Q496-A500 VanDerWaalsContact O-CB 3.23Å; Q496-A500 WeakPolarHBondContact O-CB 3.26Å; Q496-A500 PolarHBondContact O-N 3.16Å
497	R	91.2	Very high	89.8	Confident	9 Å²	9	28.3 Å²	28.3	3%	0.034	12%	0.123	C	C	.	.	H	α-helix	trans	-58.5	-45.9	173.8	-73.5	179.7	-169.9	-168.7	2.8	111.4	S489 L492 D493 E495 A500 A501 D521 M524	S489-R497 PolarHBondContact O-NE 3.35Å; L492-R497 HydrophobicContact CB-CG 3.69Å; L492-R497 PolarHBondContact O-NE 3.47Å; D493-R497 VanDerWaalsContact O-CG 3.31Å; D493-R497 WeakPolarHBondContact O-CG 3.37Å; D493-R497 PolarHBondContact O-N 2.79Å; E495-R497 VanDerWaalsContact C-N 3.31Å; E495-R497 PolarHBondContact O-N 3Å; R497-A500 PolarHBondContact O-N 3.37Å; R497-A501 WeakPolarHBondContact O-CB 3.29Å; R497-A501 PolarHBondContact O-N 2.77Å; R497-D521 VanDerWaalsContact CD-OD2 3.3Å; R497-D521 WeakPolarHBondContact CD-OD2 3.46Å; R497-D521 IonicContact CZ-OD2 2.7Å; R497-D521 IonicContact NE-OD2 2.72Å; R497-D521 IonicContact NH1-OD2 3.61Å; R497-D521 PolarHBondContact NH1-OD2 3.48Å; R497-M524 HydrophobicContact CB-SD 4.31Å
498	L	87.2	Confident	89.8	Confident	16 Å²	16	27.8 Å²	27.8	8%	0.084	12%	0.121	C	C	.	.	H	α-helix	trans	-69.6	-41.1	-179.7	-64.7	171.8	0	0	0	112.3	L313 L329 F331 S494 E495 Q496 A501 R502 I523	L313-L498 HydrophobicContact CD2-CD1 4.17Å; L329-L498 HydrophobicContact CB-CD1 4.12Å; L329-L498 HydrophobicContact CD1-CD1 3.47Å; L329-L498 VanDerWaalsContact CD1-CD1 3.47Å; L329-L498 HydrophobicContact CD2-CB 4.27Å; L329-L498 HydrophobicContact CD2-CD1 4.07Å; L329-L498 HydrophobicContact CG-CD1 4.1Å; F331-L498 HydrophobicContact CD1-CD2 4.45Å; F331-L498 HydrophobicContact CE1-CD1 4.3Å; F331-L498 HydrophobicContact CE1-CD2 3.28Å; F331-L498 HydrophobicContact CE1-CG 4.43Å; F331-L498 HydrophobicContact CZ-CD1 3.85Å; F331-L498 HydrophobicContact CZ-CD2 3.68Å; F331-L498 HydrophobicContact CZ-CG 4.43Å; S494-L498 WeakPolarHBondContact O-CD1 3.19Å; S494-L498 VanDerWaalsContact O-CG 3.29Å; S494-L498 WeakPolarHBondContact O-CG 3.39Å; E495-L498 PolarHBondContact O-N 3.26Å; Q496-L498 VanDerWaalsContact C-N 3.33Å; Q496-L498 PolarHBondContact O-N 3.29Å; L498-A501 PolarHBondContact O-N 3.43Å; L498-R502 WeakPolarHBondContact O-CB 3.32Å; L498-R502 PolarHBondContact O-N 2.88Å; L498-I523 HydrophobicContact CD2-CG2 3.77Å
499	M	89.4	Confident	89.6	Confident	56 Å²	56	32.4 Å²	32.4	28%	0.276	15%	0.145	S	C	.	.	H	α-helix	trans	-63.5	-43	174.1	-69.8	-63.9	-83.9	0	0	111	P448 E495 Q496 A501 R502 V503	P448-M499 HydrophobicContact CB-CE 4.02Å; E495-M499 WeakPolarHBondContact O-CG 3.44Å; E495-M499 PolarHBondContact O-N 2.88Å; Q496-M499 PolarHBondContact O-N 3.23Å; M499-A501 PolarHBondContact O-N 2.96Å; M499-R502 PolarHBondContact O-N 3.37Å; M499-V503 WeakPolarHBondContact O-CB 3.35Å; M499-V503 WeakPolarHBondContact O-CG2 3.21Å; M499-V503 PolarHBondContact O-N 2.99Å
500	A	92.8	Very high	89.5	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-61.1	-44.3	174.5	0	0	0	0	0	111.8	L449 L472 L492 Q496 R497 R502 V503 V504 M524	L449-A500 HydrophobicContact CD2-CB 4.41Å; L472-A500 HydrophobicContact CD2-CB 3.83Å; L492-A500 HydrophobicContact CD1-CB 3.77Å; Q496-A500 VanDerWaalsContact O-CB 3.23Å; Q496-A500 WeakPolarHBondContact O-CB 3.26Å; Q496-A500 PolarHBondContact O-N 3.16Å; R497-A500 PolarHBondContact O-N 3.37Å; A500-R502 VanDerWaalsContact C-N 3.34Å; A500-R502 PolarHBondContact O-N 3.11Å; A500-V503 PolarHBondContact O-N 3.47Å; A500-V504 WeakPolarHBondContact O-CG2 3.25Å; A500-V504 PolarHBondContact O-N 3.21Å; A500-M524 HydrophobicContact CB-CE 4.08Å
501	A	91.3	Very high	89.6	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-59.1	-46.3	176.1	0	0	0	0	0	111.5	R497 L498 M499 V504 K505 M524 Y527 L528	R497-A501 WeakPolarHBondContact O-CB 3.29Å; R497-A501 PolarHBondContact O-N 2.77Å; L498-A501 PolarHBondContact O-N 3.43Å; M499-A501 PolarHBondContact O-N 2.96Å; A501-V504 PolarHBondContact O-N 3.34Å; A501-K505 WeakPolarHBondContact O-CB 3.47Å; A501-K505 PolarHBondContact O-N 2.82Å; A501-M524 HydrophobicContact CB-CE 4.08Å; A501-M524 HydrophobicContact CB-CG 3.9Å; A501-M524 HydrophobicContact CB-SD 4.44Å; A501-Y527 HydrophobicContact CB-CD1 3.64Å; A501-Y527 HydrophobicContact CB-CE1 4.21Å; A501-Y527 HydrophobicContact CB-CG 4.39Å; A501-L528 HydrophobicContact CB-CD2 4.25Å; A501-L528 HydrophobicContact CB-CG 4.1Å; A501-L528 WeakPolarHBondContact O-CD2 3.43Å
502	R	89.7	Confident	89.8	Confident	136 Å²	136	39.5 Å²	39.5	51%	0.513	18%	0.182	S	C	.	.	H	α-helix	trans	-62.3	-43.4	176.6	-172	176.2	-177.8	178.2	2	112.6	L498 M499 A500 R506 Y527	L498-R502 WeakPolarHBondContact O-CB 3.32Å; L498-R502 PolarHBondContact O-N 2.88Å; M499-R502 PolarHBondContact O-N 3.37Å; A500-R502 VanDerWaalsContact C-N 3.34Å; A500-R502 PolarHBondContact O-N 3.11Å; R502-R506 WeakPolarHBondContact O-CB 3.41Å; R502-R506 PolarHBondContact O-N 3.08Å; R502-Y527 HydrophobicContact CB-CE1 4.26Å
503	V	92.7	Very high	89.9	Confident	4 Å²	4	42.4 Å²	42.4	2%	0.024	19%	0.194	C	C	.	.	H	α-helix	trans	-62.1	-50	178.1	168.1	0	0	0	0	110.7	V445 P448 L449 L476 M499 A500 R506 F507	V445-V503 HydrophobicContact CB-CG1 4.19Å; V445-V503 HydrophobicContact CG1-CG1 4.06Å; V445-V503 HydrophobicContact CG2-CG1 3.98Å; P448-V503 HydrophobicContact CB-CG2 3.54Å; P448-V503 HydrophobicContact CG-CG2 4.21Å; L449-V503 HydrophobicContact CD1-CG1 4.25Å; L449-V503 HydrophobicContact CD2-CB 4.48Å; L449-V503 HydrophobicContact CD2-CG2 4.17Å; L449-V503 HydrophobicContact CG-CG1 4.27Å; L449-V503 HydrophobicContact CG-CG2 4.18Å; L476-V503 HydrophobicContact CD1-CG1 3.83Å; M499-V503 WeakPolarHBondContact O-CB 3.35Å; M499-V503 WeakPolarHBondContact O-CG2 3.21Å; M499-V503 PolarHBondContact O-N 2.99Å; A500-V503 PolarHBondContact O-N 3.47Å; V503-R506 PolarHBondContact O-N 2.91Å; V503-F507 WeakPolarHBondContact O-CB 3.27Å; V503-F507 PolarHBondContact O-N 3Å
504	V	93.5	Very high	90	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.006	19%	0.194	C	C	.	.	H	α-helix	trans	-60.6	-50.2	178.7	172.4	0	0	0	0	110.1	I374 L472 L476 I485 A500 A501 R506 F507 I508 L528	I374-V504 HydrophobicContact CD1-CG1 4.45Å; L472-V504 HydrophobicContact CD1-CG2 3.88Å; L472-V504 HydrophobicContact CD2-CG2 4.14Å; L472-V504 HydrophobicContact CG-CG2 4.42Å; L476-V504 HydrophobicContact CD1-CG2 4.3Å; I485-V504 HydrophobicContact CD1-CG1 3.88Å; I485-V504 HydrophobicContact CD1-CG2 3.97Å; A500-V504 WeakPolarHBondContact O-CG2 3.25Å; A500-V504 PolarHBondContact O-N 3.21Å; A501-V504 PolarHBondContact O-N 3.34Å; V504-R506 PolarHBondContact O-N 2.86Å; V504-F507 PolarHBondContact O-N 3.4Å; V504-I508 HydrophobicContact CG1-CG1 4.27Å; V504-I508 WeakPolarHBondContact O-CB 3.37Å; V504-I508 VanDerWaalsContact O-CG1 3.24Å; V504-I508 WeakPolarHBondContact O-CG1 3.13Å; V504-I508 PolarHBondContact O-N 2.82Å; V504-L528 HydrophobicContact CB-CD2 3.89Å; V504-L528 HydrophobicContact CG1-CD2 3.85Å
505	K	91.4	Very high	90.4	Very high	40 Å²	40	42.1 Å²	42.1	17%	0.174	19%	0.193	C	C	.	.	H	α-helix	trans	-57.8	-49.3	-179.8	-169.4	166.2	-165.7	161.5	0	112.5	I374 A501 L509 Y527 L528	I374-K505 HydrophobicContact CD1-CB 4.26Å; I374-K505 HydrophobicContact CD1-CG 4.27Å; A501-K505 WeakPolarHBondContact O-CB 3.47Å; A501-K505 PolarHBondContact O-N 2.82Å; K505-L509 WeakPolarHBondContact O-CB 3.43Å; K505-L509 PolarHBondContact O-N 2.91Å; K505-L509 VanDerWaalsContact O-N 3.13Å; K505-Y527 HydrophobicContact CB-CE1 4.28Å; K505-Y527 HydrophobicContact CD-CD1 4.31Å; K505-Y527 HydrophobicContact CD-CE1 3.97Å; K505-Y527 WeakPolarHBondContact CD-O 3.16Å; K505-Y527 PolarHBondContact NZ-O 2.83Å; K505-L528 HydrophobicContact CB-CD2 4.26Å
506	R	89.5	Confident	90.8	Very high	110 Å²	110	40 Å²	40	42%	0.415	18%	0.182	S	C	.	.	H	α-helix	trans	-63.8	-45.6	-179.5	-172	179.1	-153	172.2	8.1	112	D444 R502 V503 V504 L509 H510	D444-R506 IonicContact OD1-CZ 2.82Å; D444-R506 IonicContact OD1-NE 3.08Å; D444-R506 IonicContact OD1-NH1 3.39Å; R502-R506 WeakPolarHBondContact O-CB 3.41Å; R502-R506 PolarHBondContact O-N 3.08Å; V503-R506 PolarHBondContact O-N 2.91Å; V504-R506 PolarHBondContact O-N 2.86Å; R506-L509 PolarHBondContact O-N 2.78Å; R506-H510 WeakPolarHBondContact CG-NE2 3.27Å; R506-H510 PolarHBondContact NE-NE2 3.14Å; R506-H510 WeakPolarHBondContact O-CB 3.32Å; R506-H510 PolarHBondContact O-CD2 2.9Å; R506-H510 PolarHBondContact O-N 2.87Å
507	F	91.8	Very high	91.1	Very high	25 Å²	25	38.3 Å²	38.3	11%	0.11	18%	0.175	C	C	.	.	H	α-helix	trans	-63.1	-47.1	-178.9	178.1	-93.8	0	0	0	111.5	F441 V445 L476 Y483 V503 V504 L509 H510 A511	F441-F507 HydrophobicContact CD2-CD2 4.34Å; F441-F507 AromaticContact CD2-CE2 3.84Å; F441-F507 HydrophobicContact CD2-CE2 3.84Å; F441-F507 HydrophobicContact CE2-CD2 4.44Å; F441-F507 AromaticContact CE2-CE2 3.96Å; F441-F507 HydrophobicContact CE2-CE2 3.96Å; V445-F507 HydrophobicContact CG2-CB 4.45Å; V445-F507 HydrophobicContact CG2-CD2 3.85Å; V445-F507 HydrophobicContact CG2-CG 4.37Å; L476-F507 HydrophobicContact CB-CD1 4.14Å; L476-F507 HydrophobicContact CB-CE1 4.07Å; L476-F507 HydrophobicContact CB-CG 4.42Å; L476-F507 HydrophobicContact CB-CZ 4.32Å; L476-F507 HydrophobicContact CD2-CD1 3.67Å; L476-F507 HydrophobicContact CD2-CE1 4.06Å; L476-F507 HydrophobicContact CD2-CG 4.37Å; L476-F507 HydrophobicContact CG-CD1 4.34Å; L476-F507 WeakPolarHBondContact O-CE1 3.39Å; L476-F507 WeakPolarHBondContact O-CZ 3.35Å; Y483-F507 HydrophobicContact CE1-CE1 4.02Å; Y483-F507 HydrophobicContact CE2-CE1 4.02Å; Y483-F507 AromaticContact CZ-CE1 3.65Å; V503-F507 WeakPolarHBondContact O-CB 3.27Å; V503-F507 PolarHBondContact O-N 3Å; V504-F507 PolarHBondContact O-N 3.4Å; F507-L509 VanDerWaalsContact C-N 3.35Å; F507-L509 PolarHBondContact O-N 3.31Å; F507-H510 PolarHBondContact O-N 2.83Å; F507-A511 HydrophobicContact CE1-CB 4.28Å; F507-A511 HydrophobicContact CZ-CB 4.35Å; F507-A511 WeakPolarHBondContact O-CB 3.48Å; F507-A511 PolarHBondContact O-N 2.64Å
508	I	90.9	Very high	91.2	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.005	17%	0.173	C	C	.	.	H	α-helix	trans	-63.1	-42	-179.4	-66.4	-62.2	0	0	0	111.5	I374 Y483 V504 K512 K513 A515	I374-I508 HydrophobicContact CD1-CB 4.18Å; I374-I508 HydrophobicContact CD1-CG1 4.41Å; I374-I508 HydrophobicContact CD1-CG2 4.3Å; I374-I508 HydrophobicContact CG1-CB 4.25Å; I374-I508 HydrophobicContact CG1-CG1 4.5Å; I374-I508 HydrophobicContact CG1-CG2 3.84Å; Y483-I508 HydrophobicContact CD2-CD1 3.51Å; Y483-I508 HydrophobicContact CE2-CD1 4.16Å; Y483-I508 HydrophobicContact CG-CD1 3.99Å; V504-I508 HydrophobicContact CG1-CG1 4.27Å; V504-I508 WeakPolarHBondContact O-CB 3.37Å; V504-I508 VanDerWaalsContact O-CG1 3.24Å; V504-I508 WeakPolarHBondContact O-CG1 3.13Å; V504-I508 PolarHBondContact O-N 2.82Å; I508-K512 PolarHBondContact O-N 3.31Å; I508-K513 WeakPolarHBondContact CG2-O 3.41Å; I508-K513 PolarHBondContact O-N 3.34Å; I508-A515 HydrophobicContact CD1-CB 3.76Å; I508-A515 HydrophobicContact CG1-CB 3.86Å
509	L	87.4	Confident	91.5	Very high	98 Å²	98	37.1 Å²	37.1	51%	0.513	17%	0.169	S	C	.	.	H	α-helix	trans	-63.2	-46.4	176.1	-175	68.7	0	0	0	112.1	K505 R506 F507 K512	K505-L509 WeakPolarHBondContact O-CB 3.43Å; K505-L509 PolarHBondContact O-N 2.91Å; K505-L509 VanDerWaalsContact O-N 3.13Å; R506-L509 PolarHBondContact O-N 2.78Å; F507-L509 VanDerWaalsContact C-N 3.35Å; F507-L509 PolarHBondContact O-N 3.31Å; L509-K512 PolarHBondContact O-N 2.63Å
510	H	87.7	Confident	91.5	Very high	90 Å²	90	34.7 Å²	34.7	42%	0.417	16%	0.157	S	C	.	.	H	α-helix	trans	-70	-37.1	179.9	-70.6	-26.2	0	0	0	112.9	D444 R506 F507 K512	D444-H510 IonicContact OD2-CD2 3.91Å; R506-H510 WeakPolarHBondContact CG-NE2 3.27Å; R506-H510 PolarHBondContact NE-NE2 3.14Å; R506-H510 WeakPolarHBondContact O-CB 3.32Å; R506-H510 PolarHBondContact O-CD2 2.9Å; R506-H510 PolarHBondContact O-N 2.87Å; F507-H510 PolarHBondContact O-N 2.83Å; H510-K512 VanDerWaalsContact C-N 3.25Å; H510-K512 PolarHBondContact O-N 2.83Å
511	A	87.4	Confident	91.4	Very high	37 Å²	37	34.9 Å²	34.9	31%	0.306	16%	0.158	S	C	.	.	H	α-helix	trans	-77.2	-11.9	178.2	0	0	0	0	0	113.1	F507 K513	F507-A511 HydrophobicContact CE1-CB 4.28Å; F507-A511 HydrophobicContact CZ-CB 4.35Å; F507-A511 WeakPolarHBondContact O-CB 3.48Å; F507-A511 PolarHBondContact O-N 2.64Å; A511-K513 VanDerWaalsContact C-N 3.27Å; A511-K513 HydrophobicContact CB-CB 4.43Å; A511-K513 HydrophobicContact CB-CG 3.85Å; A511-K513 WeakPolarHBondContact O-CG 3.47Å; A511-K513 PolarHBondContact O-N 3.5Å
512	K	88.8	Confident	91.2	Very high	116 Å²	116	35.4 Å²	35.4	50%	0.504	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.9	42.6	-173.9	-58	-177.5	179.7	-176.7	0	112.8	S372 I508 L509 H510	S372-K512 VanDerWaalsContact OG-CA 3.23Å; S372-K512 WeakPolarHBondContact OG-CA 3.38Å; S372-K512 WeakPolarHBondContact OG-CB 3.43Å; I508-K512 PolarHBondContact O-N 3.31Å; L509-K512 PolarHBondContact O-N 2.63Å; H510-K512 VanDerWaalsContact C-N 3.25Å; H510-K512 PolarHBondContact O-N 2.83Å
513	K	90.7	Very high	91	Very high	62 Å²	62	29.1 Å²	29.1	27%	0.27	14%	0.137	S	C	.	.			trans	-111.7	178.9	-178	-61.4	-51.1	-165.5	170.1	0	110.7	S372 A480 D481 Y483 I508 A511	S372-K513 WeakPolarHBondContact CA-O 3.47Å; S372-K513 PolarHBondContact N-O 2.98Å; A480-K513 WeakPolarHBondContact O-CE 3.5Å; D481-K513 IonicContact OD1-NZ 3.76Å; D481-K513 PolarHBondContact OD1-NZ 3.19Å; Y483-K513 HydrophobicContact CD2-CB 4.15Å; Y483-K513 HydrophobicContact CE2-CB 3.8Å; Y483-K513 HydrophobicContact CE2-CG 3.99Å; I508-K513 WeakPolarHBondContact CG2-O 3.41Å; I508-K513 PolarHBondContact O-N 3.34Å; A511-K513 VanDerWaalsContact C-N 3.27Å; A511-K513 HydrophobicContact CB-CB 4.43Å; A511-K513 HydrophobicContact CB-CG 3.85Å; A511-K513 WeakPolarHBondContact O-CG 3.47Å; A511-K513 PolarHBondContact O-N 3.5Å
514	T	92.4	Very high	90.8	Very high	2 Å²	2	29 Å²	29	1%	0.012	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	144.5	176.9	-43.5	0	0	0	0	109.8	F369 T370 E373 D481 V482 Y483 F516	F369-T514 HydrophobicContact CB-CG2 4.43Å; F369-T514 HydrophobicContact CD2-CG2 3.69Å; F369-T514 HydrophobicContact CE2-CG2 4.33Å; F369-T514 HydrophobicContact CG-CG2 4.38Å; T370-T514 PolarHBondContact O-OG1 2.77Å; E373-T514 HydrophobicContact CG-CG2 4.12Å; E373-T514 WeakPolarHBondContact O-CA 3.13Å; E373-T514 WeakPolarHBondContact O-CG2 3.3Å; D481-T514 PolarHBondContact O-N 2.93Å; V482-T514 WeakPolarHBondContact CA-O 3.36Å; Y483-T514 PolarHBondContact N-O 2.8Å; T514-F516 HydrophobicContact CG2-CE2 4.21Å
515	A	94.9	Very high	90.6	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	139	170	0	0	0	0	0	112.4	E373 I374 M375 Y483 I508 V517	E373-A515 PolarHBondContact O-N 2.93Å; I374-A515 WeakPolarHBondContact CA-O 3.36Å; I374-A515 HydrophobicContact CG1-CB 4.33Å; I374-A515 HydrophobicContact CG2-CB 4.42Å; M375-A515 PolarHBondContact N-O 3.04Å; Y483-A515 CarbonylContact O-C 3.48Å; Y483-A515 WeakPolarHBondContact O-CA 3.24Å; I508-A515 HydrophobicContact CD1-CB 3.76Å; I508-A515 HydrophobicContact CG1-CB 3.86Å; A515-V517 HydrophobicContact CB-CG2 4.23Å
516	F	95.9	Very high	90.4	Very high	1 Å²	1	27.2 Å²	27.2	0%	0.004	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	118.9	165.4	-72.6	-100.9	0	0	0	108.4	F369 M375 M377 L392 V482 Y483 L484 I485 T514 I533	F369-F516 HydrophobicContact CD1-CE2 4.49Å; F369-F516 HydrophobicContact CD1-CZ 4.05Å; F369-F516 HydrophobicContact CE1-CZ 4.38Å; F369-F516 HydrophobicContact CG-CE2 4.44Å; F369-F516 HydrophobicContact CG-CZ 4.22Å; M375-F516 HydrophobicContact CB-CD1 3.67Å; M375-F516 HydrophobicContact CB-CE1 3.84Å; M375-F516 HydrophobicContact CB-CG 4.12Å; M375-F516 HydrophobicContact CB-CZ 4.42Å; M375-F516 HydrophobicContact CG-CD1 4.21Å; M375-F516 HydrophobicContact CG-CE1 3.88Å; M375-F516 HydrophobicContact CG-CZ 4.06Å; M375-F516 CarbonylContact O-C 3.49Å; M375-F516 VanDerWaalsContact O-CA 3.32Å; M375-F516 WeakPolarHBondContact O-CA 3.45Å; M377-F516 HydrophobicContact CE-CB 3.71Å; M377-F516 HydrophobicContact CE-CD1 4.32Å; L392-F516 HydrophobicContact CD1-CD1 3.92Å; L392-F516 HydrophobicContact CD1-CD2 4.3Å; L392-F516 HydrophobicContact CD1-CE1 3.99Å; L392-F516 HydrophobicContact CD1-CE2 4.36Å; L392-F516 HydrophobicContact CD1-CG 4.08Å; L392-F516 HydrophobicContact CD1-CZ 4.21Å; V482-F516 HydrophobicContact CG1-CD2 3.63Å; V482-F516 HydrophobicContact CG1-CE2 3.95Å; Y483-F516 PolarHBondContact O-N 3.21Å; L484-F516 CarbonylContact C-O 3.55Å; L484-F516 WeakPolarHBondContact CA-O 3.35Å; L484-F516 HydrophobicContact CD2-CB 3.62Å; L484-F516 HydrophobicContact CD2-CD2 3.91Å; L484-F516 HydrophobicContact CD2-CG 4.03Å; I485-F516 PolarHBondContact N-O 3.26Å; T514-F516 HydrophobicContact CG2-CE2 4.21Å; F516-I533 HydrophobicContact CD1-CD1 4.22Å; F516-I533 HydrophobicContact CE1-CD1 3.86Å
517	V	96.3	Very high	90.2	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	124.8	-174.4	-174.5	0	0	0	0	109.6	I374 M375 V376 M377 I485 P488 A515 E519 L528	I374-V517 HydrophobicContact CG2-CG2 3.97Å; M375-V517 PolarHBondContact O-N 3.18Å; V376-V517 CarbonylContact C-O 3.6Å; V376-V517 WeakPolarHBondContact CA-O 3.38Å; V376-V517 HydrophobicContact CG2-CB 4.36Å; M377-V517 PolarHBondContact N-O 2.83Å; I485-V517 HydrophobicContact CB-CG1 4.44Å; I485-V517 HydrophobicContact CB-CG2 4.26Å; I485-V517 HydrophobicContact CD1-CG2 4.38Å; I485-V517 HydrophobicContact CG1-CG2 4.49Å; I485-V517 CarbonylContact O-C 3.55Å; I485-V517 VanDerWaalsContact O-CA 3.31Å; I485-V517 WeakPolarHBondContact O-CA 3.39Å; P488-V517 HydrophobicContact CG-CG1 3.71Å; A515-V517 HydrophobicContact CB-CG2 4.23Å; V517-E519 HydrophobicContact CG1-CB 4.46Å; V517-E519 HydrophobicContact CG1-CG 3.79Å; V517-L528 HydrophobicContact CG1-CD1 4.12Å
518	V	94.7	Very high	90.1	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	120.2	165.1	177.5	0	0	0	0	107.4	M377 K385 I389 I485 D486 E487 P488	M377-V518 HydrophobicContact CB-CG2 4.23Å; M377-V518 HydrophobicContact CE-CG2 3.65Å; M377-V518 HydrophobicContact SD-CG2 4.38Å; K385-V518 HydrophobicContact CB-CG1 4.3Å; K385-V518 HydrophobicContact CB-CG2 3.92Å; K385-V518 HydrophobicContact CD-CG1 3.94Å; I389-V518 HydrophobicContact CD1-CB 4.48Å; I389-V518 HydrophobicContact CD1-CG2 3.47Å; I389-V518 VanDerWaalsContact CD1-CG2 3.47Å; I389-V518 HydrophobicContact CG1-CG2 4.33Å; I485-V518 PolarHBondContact O-N 3.37Å; D486-V518 WeakPolarHBondContact OD1-CB 3.18Å; E487-V518 VanDerWaalsContact CA-O 3.24Å; E487-V518 WeakPolarHBondContact CA-O 3.45Å; E487-V518 HydrophobicContact CG-CG1 4.16Å; E487-V518 PolarHBondContact N-O 2.91Å; P488-V518 WeakPolarHBondContact CD-O 3.07Å
519	E	92.2	Very high	90	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.115	C	C	.	.			trans	-136.9	151.5	176.5	-94.8	-59.2	159.4	0	0	112.2	V376 P488 S489 V517 D521 M524 A525	V376-E519 HydrophobicContact CG1-CB 4.43Å; P488-E519 WeakPolarHBondContact CD-OE1 3.18Å; P488-E519 HydrophobicContact CG-CG 4.1Å; P488-E519 WeakPolarHBondContact CG-OE1 3.49Å; S489-E519 WeakPolarHBondContact CB-OE1 3.44Å; S489-E519 WeakPolarHBondContact CB-OE2 3.24Å; S489-E519 PolarHBondContact N-OE1 2.84Å; S489-E519 VanDerWaalsContact OG-CD 3.27Å; S489-E519 PolarHBondContact OG-OE1 2.89Å; S489-E519 VanDerWaalsContact OG-OE1 3.08Å; S489-E519 PolarHBondContact OG-OE2 2.93Å; V517-E519 HydrophobicContact CG1-CB 4.46Å; V517-E519 HydrophobicContact CG1-CG 3.79Å; E519-D521 PolarHBondContact OE2-N 3.41Å; E519-M524 HydrophobicContact CG-CG 4.13Å; E519-M524 HydrophobicContact CG-SD 4.46Å; E519-A525 HydrophobicContact CB-CB 4.2Å
520	H	89.9	Confident	90.1	Very high	5 Å²	5	21.9 Å²	21.9	2%	0.023	11%	0.108	C	C	.	.			trans	-123.6	-15.1	178.6	-71.5	-38.5	0	0	0	112.4	V249 R252 G379 N381 K385 E487	V249-H520 WeakPolarHBondContact CG2-O 3.46Å; R252-H520 PolarHBondContact NH1-O 2.99Å; R252-H520 VanDerWaalsContact NH1-O 3.15Å; G379-H520 PolarHBondContact O-CE1 2.84Å; N381-H520 PolarHBondContact OD1-NE2 3.39Å; K385-H520 WeakPolarHBondContact CE-CE1 3.27Å; K385-H520 WeakPolarHBondContact CE-NE2 3.27Å; K385-H520 PolarHBondContact NZ-CE1 2.82Å; K385-H520 PolarHBondContact NZ-NE2 2.99Å; E487-H520 IonicContact OE1-CD2 2.7Å; E487-H520 PolarHBondContact OE1-CD2 3.33Å; E487-H520 IonicContact OE1-NE2 3.78Å
521	D	89.6	Confident	90.4	Very high	5 Å²	5	21 Å²	21	3%	0.027	10%	0.101	C	C	.	.			trans	-80.6	117.4	169.3	-175.7	-53	0	0	0	109.7	R497 E519 I523 M524 A525	R497-D521 VanDerWaalsContact CD-OD2 3.3Å; R497-D521 WeakPolarHBondContact CD-OD2 3.46Å; R497-D521 IonicContact CZ-OD2 2.7Å; R497-D521 IonicContact NE-OD2 2.72Å; R497-D521 IonicContact NH1-OD2 3.61Å; R497-D521 PolarHBondContact NH1-OD2 3.48Å; E519-D521 PolarHBondContact OE2-N 3.41Å; D521-I523 VanDerWaalsContact C-N 3.28Å; D521-I523 PolarHBondContact O-N 3.02Å; D521-I523 WeakPolarHBondContact OD1-CA 3.49Å; D521-I523 WeakPolarHBondContact OD1-CB 3.42Å; D521-I523 PolarHBondContact OD1-N 2.81Å; D521-M524 HydrophobicContact CB-CB 4.02Å; D521-M524 PolarHBondContact O-N 2.87Å; D521-M524 PolarHBondContact OD1-N 2.84Å; D521-A525 WeakPolarHBondContact O-CB 3.36Å; D521-A525 PolarHBondContact O-N 3.39Å
522	F	87.7	Confident	90.7	Very high	10 Å²	10	19.3 Å²	19.3	4%	0.044	9%	0.086	C	C	.	.	H	α-helix	trans	-62.3	-35.5	-177.9	-89.8	-67.2	0	0	0	113.4	V249 T526 M555 F558 L559 F566	V249-F522 HydrophobicContact CB-CE2 4.24Å; V249-F522 HydrophobicContact CB-CZ 4.49Å; V249-F522 HydrophobicContact CG1-CD2 4.27Å; V249-F522 HydrophobicContact CG1-CE2 3.24Å; V249-F522 HydrophobicContact CG1-CZ 3.61Å; V249-F522 HydrophobicContact CG2-CD2 4.44Å; V249-F522 HydrophobicContact CG2-CE2 3.94Å; V249-F522 HydrophobicContact CG2-CZ 4.13Å; F522-T526 WeakPolarHBondContact O-CB 3.3Å; F522-T526 WeakPolarHBondContact O-CG2 3.14Å; F522-T526 PolarHBondContact O-N 3.11Å; F522-T526 PolarHBondContact O-OG1 3.32Å; F522-M555 HydrophobicContact CD1-SD 4.4Å; F522-M555 HydrophobicContact CE1-SD 4.24Å; F522-F558 HydrophobicContact CE1-CD1 4.12Å; F522-F558 AromaticContact CE1-CE1 3.97Å; F522-F558 HydrophobicContact CE1-CE1 3.97Å; F522-F558 HydrophobicContact CZ-CD1 4.19Å; F522-F558 AromaticContact CZ-CE1 3.76Å; F522-F558 HydrophobicContact CZ-CE1 3.76Å; F522-L559 HydrophobicContact CE1-CD2 3.76Å; F522-L559 HydrophobicContact CE1-CG 4.47Å; F522-L559 HydrophobicContact CE2-CD2 4.31Å; F522-L559 HydrophobicContact CZ-CD2 3.39Å; F522-F566 HydrophobicContact CB-CE1 4.26Å; F522-F566 HydrophobicContact CB-CZ 4.36Å; F522-F566 HydrophobicContact CD1-CZ 4.35Å; F522-F566 HydrophobicContact CD2-CE1 4.06Å; F522-F566 AromaticContact CD2-CE2 4Å; F522-F566 HydrophobicContact CD2-CE2 4Å; F522-F566 AromaticContact CD2-CZ 3.33Å; F522-F566 HydrophobicContact CD2-CZ 3.33Å; F522-F566 HydrophobicContact CE1-CE2 4.42Å; F522-F566 AromaticContact CE2-CE2 3.64Å; F522-F566 HydrophobicContact CE2-CE2 3.64Å; F522-F566 AromaticContact CE2-CZ 3.47Å; F522-F566 HydrophobicContact CE2-CZ 3.47Å; F522-F566 VanDerWaalsContact CE2-CZ 3.47Å; F522-F566 HydrophobicContact CG-CE1 4.12Å; F522-F566 HydrophobicContact CG-CE2 4.47Å; F522-F566 AromaticContact CG-CZ 3.79Å; F522-F566 HydrophobicContact CG-CZ 3.79Å; F522-F566 AromaticContact CZ-CE2 3.91Å; F522-F566 HydrophobicContact CZ-CE2 3.91Å; F522-F566 HydrophobicContact CZ-CZ 4.1Å
523	I	85.4	Confident	91	Very high	4 Å²	4	13.8 Å²	13.8	2%	0.021	6%	0.062	C	C	.	.	H	α-helix	trans	-69.8	-44.5	-177.6	-68.2	175.4	0	0	0	109	L276 F331 L498 D521 T526 Y527	L276-I523 HydrophobicContact CB-CD1 3.6Å; L276-I523 HydrophobicContact CD1-CD1 4.07Å; L276-I523 HydrophobicContact CG-CD1 4.19Å; F331-I523 HydrophobicContact CD1-CG2 3.73Å; F331-I523 HydrophobicContact CE1-CB 4.46Å; F331-I523 HydrophobicContact CE1-CG2 2.99Å; F331-I523 HydrophobicContact CZ-CG2 3.49Å; F331-I523 VanDerWaalsContact CZ-CG2 3.49Å; L498-I523 HydrophobicContact CD2-CG2 3.77Å; D521-I523 VanDerWaalsContact C-N 3.28Å; D521-I523 PolarHBondContact O-N 3.02Å; D521-I523 WeakPolarHBondContact OD1-CA 3.49Å; D521-I523 WeakPolarHBondContact OD1-CB 3.42Å; D521-I523 PolarHBondContact OD1-N 2.81Å; I523-T526 PolarHBondContact O-OG1 3.22Å; I523-Y527 VanDerWaalsContact O-CB 3.26Å; I523-Y527 WeakPolarHBondContact O-CB 3.45Å; I523-Y527 PolarHBondContact O-N 2.88Å; I523-Y527 VanDerWaalsContact O-N 3.11Å
524	M	88.1	Confident	91.2	Very high	1 Å²	1	10.8 Å²	10.8	1%	0.005	5%	0.049	C	C	.	.	H	α-helix	trans	-66.2	-43.8	175.1	-174.7	156.8	-174.2	0	0	111.9	P488 R497 A500 A501 E519 D521 Y527 L528	P488-M524 HydrophobicContact CB-CE 3.78Å; P488-M524 HydrophobicContact CG-CE 3.74Å; R497-M524 HydrophobicContact CB-SD 4.31Å; A500-M524 HydrophobicContact CB-CE 4.08Å; A501-M524 HydrophobicContact CB-CE 4.08Å; A501-M524 HydrophobicContact CB-CG 3.9Å; A501-M524 HydrophobicContact CB-SD 4.44Å; E519-M524 HydrophobicContact CG-CG 4.13Å; E519-M524 HydrophobicContact CG-SD 4.46Å; D521-M524 HydrophobicContact CB-CB 4.02Å; D521-M524 PolarHBondContact O-N 2.87Å; D521-M524 PolarHBondContact OD1-N 2.84Å; M524-Y527 PolarHBondContact O-N 2.87Å; M524-L528 HydrophobicContact CE-CD1 3.83Å; M524-L528 HydrophobicContact CG-CD1 3.75Å; M524-L528 HydrophobicContact CG-CG 4.4Å; M524-L528 WeakPolarHBondContact O-CB 3.43Å; M524-L528 WeakPolarHBondContact O-CG 3.45Å; M524-L528 PolarHBondContact O-N 3.42Å
525	A	89.8	Confident	91.3	Very high	1 Å²	1	11 Å²	11	1%	0.008	5%	0.05	C	C	.	.	H	α-helix	trans	-60.5	-48.7	179.3	0	0	0	0	0	112	V376 L378 E519 D521 Y527 L528 A529 M555	V376-A525 HydrophobicContact CG1-CB 4.03Å; L378-A525 HydrophobicContact CD2-CB 4.28Å; E519-A525 HydrophobicContact CB-CB 4.2Å; D521-A525 WeakPolarHBondContact O-CB 3.36Å; D521-A525 PolarHBondContact O-N 3.39Å; A525-Y527 VanDerWaalsContact C-N 3.33Å; A525-Y527 PolarHBondContact O-N 2.9Å; A525-L528 PolarHBondContact O-N 2.85Å; A525-A529 WeakPolarHBondContact O-CB 3.23Å; A525-A529 PolarHBondContact O-N 3.33Å; A525-M555 HydrophobicContact CB-CE 4.12Å
526	T	86.9	Confident	91.2	Very high	3 Å²	3	12.5 Å²	12.5	2%	0.018	6%	0.058	C	C	.	.	H	α-helix	trans	-69	-32	179.8	53.7	0	0	0	0	112.6	F522 I523 M555 P575 F595	F522-T526 WeakPolarHBondContact O-CB 3.3Å; F522-T526 WeakPolarHBondContact O-CG2 3.14Å; F522-T526 PolarHBondContact O-N 3.11Å; F522-T526 PolarHBondContact O-OG1 3.32Å; I523-T526 PolarHBondContact O-OG1 3.22Å; T526-M555 HydrophobicContact CG2-CE 3.77Å; T526-M555 HydrophobicContact CG2-SD 4.42Å; T526-P575 HydrophobicContact CG2-CG 4.15Å; T526-P575 WeakPolarHBondContact OG1-CG 3.28Å; T526-F595 HydrophobicContact CG2-CE2 3.61Å; T526-F595 HydrophobicContact CG2-CZ 3.52Å
527	Y	86.1	Confident	90.9	Very high	49 Å²	49	15.1 Å²	15.1	19%	0.192	9%	0.085	C	C	.	.	H	α-helix	trans	-69.1	-39.8	175.4	-173.5	-88.1	0	0	0	112.3	A501 R502 K505 I523 M524 A525	A501-Y527 HydrophobicContact CB-CD1 3.64Å; A501-Y527 HydrophobicContact CB-CE1 4.21Å; A501-Y527 HydrophobicContact CB-CG 4.39Å; R502-Y527 HydrophobicContact CB-CE1 4.26Å; K505-Y527 HydrophobicContact CB-CE1 4.28Å; K505-Y527 HydrophobicContact CD-CD1 4.31Å; K505-Y527 HydrophobicContact CD-CE1 3.97Å; K505-Y527 WeakPolarHBondContact CD-O 3.16Å; K505-Y527 PolarHBondContact NZ-O 2.83Å; I523-Y527 VanDerWaalsContact O-CB 3.26Å; I523-Y527 WeakPolarHBondContact O-CB 3.45Å; I523-Y527 PolarHBondContact O-N 2.88Å; I523-Y527 VanDerWaalsContact O-N 3.11Å; M524-Y527 PolarHBondContact O-N 2.87Å; A525-Y527 VanDerWaalsContact C-N 3.33Å; A525-Y527 PolarHBondContact O-N 2.9Å
528	L	89.4	Confident	90.5	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-79.1	-42.2	-177.8	-76.7	174.8	0	0	0	113.7	I374 V376 A501 V504 K505 V517 M524 A525 D530	I374-L528 VanDerWaalsContact CB-O 3.3Å; I374-L528 WeakPolarHBondContact CB-O 3.35Å; I374-L528 HydrophobicContact CD1-CD2 4.31Å; I374-L528 HydrophobicContact CG2-CB 4.24Å; I374-L528 WeakPolarHBondContact CG2-O 3.27Å; V376-L528 HydrophobicContact CG2-CB 4.09Å; A501-L528 HydrophobicContact CB-CD2 4.25Å; A501-L528 HydrophobicContact CB-CG 4.1Å; A501-L528 WeakPolarHBondContact O-CD2 3.43Å; V504-L528 HydrophobicContact CB-CD2 3.89Å; V504-L528 HydrophobicContact CG1-CD2 3.85Å; K505-L528 HydrophobicContact CB-CD2 4.26Å; V517-L528 HydrophobicContact CG1-CD1 4.12Å; M524-L528 HydrophobicContact CE-CD1 3.83Å; M524-L528 HydrophobicContact CG-CD1 3.75Å; M524-L528 HydrophobicContact CG-CG 4.4Å; M524-L528 WeakPolarHBondContact O-CB 3.43Å; M524-L528 WeakPolarHBondContact O-CG 3.45Å; M524-L528 PolarHBondContact O-N 3.42Å; A525-L528 PolarHBondContact O-N 2.85Å; L528-D530 PolarHBondContact O-N 3.46Å
529	A	89.5	Confident	90.1	Very high	5 Å²	5	20.9 Å²	20.9	4%	0.041	12%	0.121	C	C	.	.			trans	-69.4	122.6	-166.4	0	0	0	0	0	113.3	V376 A525 V532 L551	V376-A529 HydrophobicContact CB-CB 3.82Å; V376-A529 HydrophobicContact CG2-CB 3.53Å; A525-A529 WeakPolarHBondContact O-CB 3.23Å; A525-A529 PolarHBondContact O-N 3.33Å; A529-V532 HydrophobicContact CB-CG2 3.91Å; A529-L551 HydrophobicContact CB-CD1 3.71Å
530	D	89.4	Confident	89.7	Confident	69 Å²	69	24.5 Å²	24.5	37%	0.369	15%	0.146	S	C	.	.	S	Bend	trans	-88.6	-37.1	159.2	-56.4	-52.8	0	0	0	109.6	E373 I374 L528	E373-D530 WeakPolarHBondContact CA-OD2 3.42Å; E373-D530 HydrophobicContact CB-CB 4.34Å; I374-D530 PolarHBondContact N-OD2 2.99Å; I374-D530 PolarHBondContact O-N 3.2Å; L528-D530 PolarHBondContact O-N 3.46Å
531	R	92.5	Very high	89.7	Confident	72 Å²	72	30.8 Å²	30.8	27%	0.272	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	157.7	174.3	-67.2	-174.5	85.9	169.6	8.6	110.7	E368 I374 M375 V376 P548 Q549	E368-R531 PolarHBondContact O-NH1 3.38Å; I374-R531 PolarHBondContact O-N 2.94Å; M375-R531 WeakPolarHBondContact CA-O 3.16Å; M375-R531 HydrophobicContact CE-CB 3.51Å; M375-R531 HydrophobicContact SD-CB 3.39Å; M375-R531 WeakPolarHBondContact SD-CB 3.39Å; M375-R531 HydrophobicContact SD-CG 4.24Å; V376-R531 PolarHBondContact N-O 3.21Å; R531-P548 PolarHBondContact NH2-O 2.79Å; R531-Q549 CarbonylContact C-O 3.52Å; R531-Q549 WeakPolarHBondContact CA-O 3.47Å; R531-Q549 WeakPolarHBondContact CB-O 3.39Å
532	V	94.1	Very high	89.8	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	137.7	-174.4	178	0	0	0	0	110.4	V376 L378 A529 V534 Q549 L551 M555	V376-V532 CarbonylContact O-C 3.54Å; V376-V532 VanDerWaalsContact O-CA 3.27Å; V376-V532 WeakPolarHBondContact O-CA 3.37Å; L378-V532 HydrophobicContact CB-CG1 4.4Å; L378-V532 HydrophobicContact CD1-CG1 3.51Å; L378-V532 HydrophobicContact CG-CG1 3.84Å; A529-V532 HydrophobicContact CB-CG2 3.91Å; V532-V534 HydrophobicContact CG1-CG2 4Å; V532-Q549 PolarHBondContact N-O 3.4Å; V532-Q549 PolarHBondContact O-N 3.49Å; V532-L551 HydrophobicContact CG2-CD1 3.7Å; V532-M555 HydrophobicContact CG2-CE 4.21Å; V532-M555 HydrophobicContact CG2-CG 4.45Å
533	I	95.7	Very high	90.1	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	113.2	170.3	-62.2	177.8	0	0	0	107.6	M375 V376 M377 L378 F388 F516 F535 A545 N546 P548	M375-I533 HydrophobicContact CE-CD1 3.81Å; M375-I533 HydrophobicContact CE-CG1 3.44Å; M375-I533 VanDerWaalsContact CE-CG1 3.44Å; V376-I533 PolarHBondContact O-N 3.43Å; M377-I533 WeakPolarHBondContact CA-O 3.24Å; M377-I533 HydrophobicContact CG-CB 3.98Å; M377-I533 HydrophobicContact CG-CD1 4.3Å; M377-I533 HydrophobicContact CG-CG2 4.37Å; L378-I533 PolarHBondContact N-O 3.18Å; F388-I533 HydrophobicContact CE1-CD1 3.95Å; F516-I533 HydrophobicContact CD1-CD1 4.22Å; F516-I533 HydrophobicContact CE1-CD1 3.86Å; I533-F535 HydrophobicContact CG2-CD2 4.23Å; I533-F535 HydrophobicContact CG2-CE2 3.89Å; I533-A545 HydrophobicContact CG2-CB 4.48Å; I533-N546 WeakPolarHBondContact CG2-O 3.17Å; I533-P548 HydrophobicContact CD1-CG 4.28Å; I533-P548 HydrophobicContact CG1-CG 4.27Å
534	V	95.3	Very high	90.6	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	130.4	178	-173.1	0	0	0	0	109.2	V532 N546 G554 F558	V532-V534 HydrophobicContact CG1-CG2 4Å; V534-N546 WeakPolarHBondContact O-CB 3.19Å; V534-N546 PolarHBondContact O-N 2.78Å; V534-N546 VanDerWaalsContact O-N 3.1Å; V534-N546 PolarHBondContact O-ND2 3.38Å; V534-G554 WeakPolarHBondContact CG2-O 3.39Å; V534-F558 HydrophobicContact CG1-CB 4.04Å; V534-F558 HydrophobicContact CG1-CD2 4.19Å; V534-F558 HydrophobicContact CG2-CB 4.15Å
535	F	94.8	Very high	90.9	Very high	5 Å²	5	36.2 Å²	36.2	2%	0.022	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	122.9	173.1	-75.9	-111	0	0	0	110.3	L362 M377 L378 T383 K385 F388 I533 V544 A545	L362-F535 HydrophobicContact CD1-CD1 4.27Å; L362-F535 HydrophobicContact CD1-CE1 4Å; M377-F535 HydrophobicContact CB-CE2 3.96Å; M377-F535 HydrophobicContact CG-CE2 3.96Å; M377-F535 HydrophobicContact SD-CE2 4.29Å; M377-F535 HydrophobicContact SD-CZ 4.47Å; L378-F535 WeakPolarHBondContact O-CD2 3.48Å; L378-F535 PolarHBondContact O-N 3.25Å; T383-F535 HydrophobicContact CG2-CB 4.45Å; T383-F535 WeakPolarHBondContact O-CD1 3.41Å; T383-F535 WeakPolarHBondContact O-CE1 3.19Å; K385-F535 HydrophobicContact CB-CZ 4.35Å; K385-F535 HydrophobicContact CG-CD1 4.48Å; K385-F535 HydrophobicContact CG-CD2 4.11Å; K385-F535 HydrophobicContact CG-CE1 4.35Å; K385-F535 HydrophobicContact CG-CE2 4.01Å; K385-F535 HydrophobicContact CG-CG 4.34Å; K385-F535 HydrophobicContact CG-CZ 4.11Å; F388-F535 HydrophobicContact CB-CE1 4.48Å; F388-F535 HydrophobicContact CB-CZ 4.05Å; F388-F535 HydrophobicContact CD1-CE2 4.42Å; F388-F535 AromaticContact CD1-CZ 3.78Å; F388-F535 HydrophobicContact CD1-CZ 3.78Å; F388-F535 HydrophobicContact CG-CZ 4.36Å; I533-F535 HydrophobicContact CG2-CD2 4.23Å; I533-F535 HydrophobicContact CG2-CE2 3.89Å; F535-V544 WeakPolarHBondContact CA-O 3.45Å; F535-A545 HydrophobicContact CD1-CB 3.86Å; F535-A545 HydrophobicContact CE1-CB 3.54Å; F535-A545 HydrophobicContact CE2-CB 4.2Å; F535-A545 HydrophobicContact CG-CB 4.37Å; F535-A545 HydrophobicContact CZ-CB 3.73Å
536	D	91.9	Very high	91.2	Very high	33 Å²	33	37.3 Å²	37.3	18%	0.176	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	162.9	177.9	-58.1	-15.5	0	0	0	110.9	T543 V544 N546 K557 Q561	D536-T543 CarbonylContact O-C 3.6Å; D536-T543 WeakPolarHBondContact O-CA 3.4Å; D536-T543 VanDerWaalsContact O-CB 3.3Å; D536-T543 WeakPolarHBondContact O-CB 3.43Å; D536-V544 PolarHBondContact N-O 2.96Å; D536-V544 PolarHBondContact O-N 3.02Å; D536-N546 PolarHBondContact OD1-ND2 3.4Å; D536-N546 PolarHBondContact OD2-ND2 2.85Å; D536-K557 IonicContact OD1-NZ 3.36Å; D536-K557 VanDerWaalsContact OD2-CE 3.24Å; D536-K557 WeakPolarHBondContact OD2-CE 3.37Å; D536-K557 IonicContact OD2-NZ 2.67Å; D536-K557 PolarHBondContact OD2-NZ 2.84Å; D536-Q561 PolarHBondContact OD1-NE2 3.46Å
537	G	90	Very high	91.5	Very high	55 Å²	55	39.5 Å²	39.5	57%	0.567	23%	0.225	S	C	*	.	E	Extended strand (participates in β ladder)	trans	110.1	-164.2	170.9	0	0	0	0	0	113.7	N542	G537-N542 CarbonylContact C-O 3.53Å; G537-N542 WeakPolarHBondContact CA-O 3.49Å
538	V	88.3	Confident	91.8	Very high	85 Å²	85	37.5 Å²	37.5	52%	0.515	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	120.2	-176	-177.2	0	0	0	0	109.2	S540 K541 N542 T543	V538-S540 PolarHBondContact O-N 2.99Å; V538-K541 HydrophobicContact CB-CB 4.23Å; V538-K541 HydrophobicContact CG1-CB 4.23Å; V538-K541 HydrophobicContact CG1-CD 4Å; V538-K541 HydrophobicContact CG1-CG 4.28Å; V538-K541 PolarHBondContact O-N 2.98Å; V538-K541 VanDerWaalsContact O-N 3.11Å; V538-N542 PolarHBondContact N-O 3.13Å; V538-N542 PolarHBondContact O-N 3.22Å; V538-T543 WeakPolarHBondContact O-CG2 3.3Å
539	P	85.8	Confident	92	Very high	37 Å²	37	39.6 Å²	39.6	24%	0.24	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.9	139.3	179.3	-27.7	34.4	0	0	0	112.6	E380 N381 T383 K541	E380-P539 HydrophobicContact CB-CG 3.97Å; E380-P539 WeakPolarHBondContact OE2-CG 3.43Å; N381-P539 WeakPolarHBondContact O-CB 3.14Å; T383-P539 HydrophobicContact CG2-CG 4.37Å; P539-K541 PolarHBondContact O-N 2.86Å
540	S	84.2	Confident	92	Very high	75 Å²	75	43.5 Å²	43.5	52%	0.524	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.4	7.5	-179.7	-46.2	0	0	0	0	116.2	G382 V538	G382-S540 PolarHBondContact O-N 2.8Å; V538-S540 PolarHBondContact O-N 2.99Å
541	K	88.4	Confident	92	Very high	137 Å²	137	41.3 Å²	41.3	60%	0.596	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-120.3	-76.1	175.8	-66.7	-171.2	179.1	-176	0	112.8	F360 E361 V538 P539	F360-K541 CarbonylContact C-O 3.54Å; F360-K541 WeakPolarHBondContact CA-O 3.44Å; E361-K541 PolarHBondContact N-O 2.79Å; V538-K541 HydrophobicContact CB-CB 4.23Å; V538-K541 HydrophobicContact CG1-CB 4.23Å; V538-K541 HydrophobicContact CG1-CD 4Å; V538-K541 HydrophobicContact CG1-CG 4.28Å; V538-K541 PolarHBondContact O-N 2.98Å; V538-K541 VanDerWaalsContact O-N 3.11Å; P539-K541 PolarHBondContact O-N 2.86Å
542	N	91.7	Very high	91.8	Very high	86 Å²	86	43 Å²	43	46%	0.46	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	121.2	-179.1	-173.9	-4.3	0	0	0	109	E361 G537 V538	E361-N542 WeakPolarHBondContact O-CA 3.17Å; G537-N542 CarbonylContact C-O 3.53Å; G537-N542 WeakPolarHBondContact CA-O 3.49Å; V538-N542 PolarHBondContact N-O 3.13Å; V538-N542 PolarHBondContact O-N 3.22Å
543	T	94.9	Very high	91.6	Very high	0 Å²	0	45 Å²	45	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	149	-175.2	55.9	0	0	0	0	112.3	F360 E361 L362 A363 T383 D536 V538	F360-T543 HydrophobicContact CE2-CG2 4.08Å; F360-T543 WeakPolarHBondContact CE2-OG1 3.49Å; F360-T543 WeakPolarHBondContact CZ-OG1 3.33Å; E361-T543 PolarHBondContact O-N 2.91Å; E361-T543 PolarHBondContact O-OG1 3.24Å; L362-T543 WeakPolarHBondContact CA-O 3.22Å; A363-T543 PolarHBondContact N-O 3.48Å; T383-T543 HydrophobicContact CG2-CG2 4.17Å; T383-T543 PolarHBondContact O-OG1 3.06Å; T383-T543 VanDerWaalsContact O-OG1 3.13Å; D536-T543 CarbonylContact O-C 3.6Å; D536-T543 WeakPolarHBondContact O-CA 3.4Å; D536-T543 VanDerWaalsContact O-CB 3.3Å; D536-T543 WeakPolarHBondContact O-CB 3.43Å; V538-T543 WeakPolarHBondContact O-CG2 3.3Å
544	V	95.1	Very high	91.3	Very high	48 Å²	48	45 Å²	45	29%	0.291	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	118.2	-179.9	-175.5	0	0	0	0	109	A363 V365 F535 D536 N546	A363-V544 HydrophobicContact CB-CG2 4.38Å; A363-V544 CarbonylContact O-C 3.56Å; A363-V544 VanDerWaalsContact O-CA 3.23Å; A363-V544 WeakPolarHBondContact O-CA 3.39Å; V365-V544 HydrophobicContact CG2-CG1 3.73Å; F535-V544 WeakPolarHBondContact CA-O 3.45Å; D536-V544 PolarHBondContact N-O 2.96Å; D536-V544 PolarHBondContact O-N 3.02Å; V544-N546 PolarHBondContact O-N 2.8Å
545	A	95	Very high	91.1	Very high	0 Å²	0	45 Å²	45	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	112.5	165.7	0	0	0	0	0	108.3	L362 A363 I364 V365 I533 F535	L362-A545 HydrophobicContact CD1-CB 4.41Å; A363-A545 PolarHBondContact O-N 2.9Å; I364-A545 HydrophobicContact CB-CB 4.45Å; I364-A545 HydrophobicContact CG1-CB 3.93Å; V365-A545 PolarHBondContact N-O 2.95Å; I533-A545 HydrophobicContact CG2-CB 4.48Å; F535-A545 HydrophobicContact CD1-CB 3.86Å; F535-A545 HydrophobicContact CE1-CB 3.54Å; F535-A545 HydrophobicContact CE2-CB 4.2Å; F535-A545 HydrophobicContact CG-CB 4.37Å; F535-A545 HydrophobicContact CZ-CB 3.73Å
546	N	95.3	Very high	90.9	Very high	25 Å²	25	46.4 Å²	46.4	13%	0.134	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-69.3	168.3	179.6	-69.4	-74.8	0	0	0	111.9	I533 V534 D536 V544 K557	I533-N546 WeakPolarHBondContact CG2-O 3.17Å; V534-N546 WeakPolarHBondContact O-CB 3.19Å; V534-N546 PolarHBondContact O-N 2.78Å; V534-N546 VanDerWaalsContact O-N 3.1Å; V534-N546 PolarHBondContact O-ND2 3.38Å; D536-N546 PolarHBondContact OD1-ND2 3.4Å; D536-N546 PolarHBondContact OD2-ND2 2.85Å; V544-N546 PolarHBondContact O-N 2.8Å; N546-K557 PolarHBondContact ND2-NZ 3.1Å; N546-K557 PolarHBondContact OD1-NZ 2.92Å
547	S	93.6	Very high	90.9	Very high	48 Å²	48	47.6 Å²	47.6	34%	0.336	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-66	157.2	169.3	56.7	0	0	0	0	111.3	A366 Q549	A366-S547 WeakPolarHBondContact O-CB 3.28Å; S547-Q549 PolarHBondContact O-N 2.92Å
548	P	93.8	Very high	91	Very high	8 Å²	8	45.1 Å²	45.1	5%	0.052	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-52	122.6	174.1	-34.1	43.9	0	0	0	112.8	Y350 M375 R531 I533	Y350-P548 HydrophobicContact CE1-CG 4.34Å; Y350-P548 VanDerWaalsContact OH-CD 3.31Å; Y350-P548 WeakPolarHBondContact OH-CD 3.26Å; M375-P548 HydrophobicContact CE-CB 3.37Å; M375-P548 HydrophobicContact CE-CG 3.7Å; M375-P548 HydrophobicContact SD-CB 4.01Å; M375-P548 HydrophobicContact SD-CG 4.32Å; R531-P548 PolarHBondContact NH2-O 2.79Å; I533-P548 HydrophobicContact CD1-CG 4.28Å; I533-P548 HydrophobicContact CG1-CG 4.27Å
549	Q	92.2	Very high	91.1	Very high	44 Å²	44	41.1 Å²	41.1	21%	0.206	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	161.8	176.6	-65.1	-179.3	10.5	0	0	110.9	R531 V532 S547	R531-Q549 CarbonylContact C-O 3.52Å; R531-Q549 WeakPolarHBondContact CA-O 3.47Å; R531-Q549 WeakPolarHBondContact CB-O 3.39Å; V532-Q549 PolarHBondContact N-O 3.4Å; V532-Q549 PolarHBondContact O-N 3.49Å; S547-Q549 PolarHBondContact O-N 2.92Å
550	T	91	Very high	91.3	Very high	86 Å²	86	41.3 Å²	41.3	53%	0.528	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	154.8	169.7	60.1	0	0	0	0	109.9	L552 A553 G554	T550-L552 VanDerWaalsContact C-N 3.28Å; T550-L552 PolarHBondContact O-N 3.23Å; T550-A553 PolarHBondContact O-N 2.98Å; T550-A553 WeakPolarHBondContact OG1-CB 3.37Å; T550-A553 PolarHBondContact OG1-N 3.45Å; T550-G554 PolarHBondContact O-N 2.85Å
551	L	88.5	Confident	91.5	Very high	24 Å²	24	41.7 Å²	41.7	13%	0.126	23%	0.227	C	C	.	.	H	α-helix	trans	-50.8	-48.5	179.9	177.7	59.9	0	0	0	112.2	V333 A529 V532 M555 F595	V333-L551 HydrophobicContact CG1-CD2 4.06Å; A529-L551 HydrophobicContact CB-CD1 3.71Å; V532-L551 HydrophobicContact CG2-CD1 3.7Å; L551-M555 HydrophobicContact CD1-CE 3.73Å; L551-M555 HydrophobicContact CD1-CG 3.63Å; L551-M555 HydrophobicContact CG-CG 4.41Å; L551-M555 WeakPolarHBondContact O-CB 3.25Å; L551-M555 WeakPolarHBondContact O-CG 3.35Å; L551-M555 PolarHBondContact O-N 2.92Å; L551-F595 HydrophobicContact CD1-CE1 4.47Å; L551-F595 HydrophobicContact CD1-CZ 4.46Å; L551-F595 HydrophobicContact CD2-CE1 4.48Å; L551-F595 HydrophobicContact CG-CE1 4.02Å; L551-F595 HydrophobicContact CG-CZ 4.38Å
552	L	87.9	Confident	91.5	Very high	108 Å²	108	36.2 Å²	36.2	57%	0.565	20%	0.204	S	C	*	.	H	α-helix	trans	-63.9	-51.7	-177.9	-167.8	157.2	0	0	0	111.6	T550 N556	T550-L552 VanDerWaalsContact C-N 3.28Å; T550-L552 PolarHBondContact O-N 3.23Å; L552-N556 WeakPolarHBondContact O-CB 3.19Å; L552-N556 PolarHBondContact O-N 2.88Å
553	A	89.7	Confident	91.3	Very high	42 Å²	42	38.9 Å²	38.9	35%	0.347	21%	0.214	S	C	.	.	H	α-helix	trans	-64.4	-44.9	-178.3	0	0	0	0	0	112.1	T550 N556 K557	T550-A553 PolarHBondContact O-N 2.98Å; T550-A553 WeakPolarHBondContact OG1-CB 3.37Å; T550-A553 PolarHBondContact OG1-N 3.45Å; A553-N556 PolarHBondContact O-N 3.43Å; A553-K557 WeakPolarHBondContact O-CB 3.4Å; A553-K557 PolarHBondContact O-N 2.93Å
554	G	90.3	Very high	90.9	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-65.6	-45.4	179.7	0	0	0	0	0	112.4	V534 T550 K557 F558	V534-G554 WeakPolarHBondContact CG2-O 3.39Å; T550-G554 PolarHBondContact O-N 2.85Å; G554-K557 PolarHBondContact O-N 2.87Å; G554-F558 WeakPolarHBondContact O-CB 3.4Å; G554-F558 PolarHBondContact O-N 3.31Å
555	M	90.1	Very high	90.7	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-66.5	-40.2	176	-71.4	-75	-178	0	0	111.9	L378 F522 A525 T526 V532 L551 K557 F558 L559 F595	L378-M555 HydrophobicContact CD1-CE 3.59Å; L378-M555 HydrophobicContact CD1-SD 3.43Å; L378-M555 WeakPolarHBondContact CD1-SD 3.31Å; F522-M555 HydrophobicContact CD1-SD 4.4Å; F522-M555 HydrophobicContact CE1-SD 4.24Å; A525-M555 HydrophobicContact CB-CE 4.12Å; T526-M555 HydrophobicContact CG2-CE 3.77Å; T526-M555 HydrophobicContact CG2-SD 4.42Å; V532-M555 HydrophobicContact CG2-CE 4.21Å; V532-M555 HydrophobicContact CG2-CG 4.45Å; L551-M555 HydrophobicContact CD1-CE 3.73Å; L551-M555 HydrophobicContact CD1-CG 3.63Å; L551-M555 HydrophobicContact CG-CG 4.41Å; L551-M555 WeakPolarHBondContact O-CB 3.25Å; L551-M555 WeakPolarHBondContact O-CG 3.35Å; L551-M555 PolarHBondContact O-N 2.92Å; M555-K557 VanDerWaalsContact C-N 3.33Å; M555-K557 PolarHBondContact O-N 3.38Å; M555-F558 PolarHBondContact O-N 2.91Å; M555-L559 VanDerWaalsContact O-CB 3.24Å; M555-L559 WeakPolarHBondContact O-CB 3.46Å; M555-L559 VanDerWaalsContact O-CG 3.27Å; M555-L559 WeakPolarHBondContact O-CG 3.36Å; M555-L559 PolarHBondContact O-N 2.96Å; M555-F595 HydrophobicContact CB-CB 3.78Å; M555-F595 HydrophobicContact CB-CD1 3.48Å; M555-F595 VanDerWaalsContact CB-CD1 3.48Å; M555-F595 HydrophobicContact CB-CD2 3.51Å; M555-F595 HydrophobicContact CB-CE1 3.81Å; M555-F595 HydrophobicContact CB-CE2 3.84Å; M555-F595 HydrophobicContact CB-CG 3.29Å; M555-F595 HydrophobicContact CB-CZ 3.97Å; M555-F595 HydrophobicContact CG-CD1 4.09Å; M555-F595 HydrophobicContact CG-CD2 4.03Å; M555-F595 HydrophobicContact CG-CE1 3.87Å; M555-F595 HydrophobicContact CG-CE2 3.81Å; M555-F595 HydrophobicContact CG-CG 4.14Å; M555-F595 HydrophobicContact CG-CZ 3.72Å; M555-F595 HydrophobicContact SD-CE2 4.18Å; M555-F595 HydrophobicContact SD-CZ 4.49Å
556	N	90.9	Very high	90.4	Very high	34 Å²	34	37.7 Å²	37.7	18%	0.182	21%	0.206	C	C	.	.	H	α-helix	trans	-60.5	-44.6	177.2	-163.2	58.8	0	0	0	111.4	L552 A553 S560 G592 Y594 F595	L552-N556 WeakPolarHBondContact O-CB 3.19Å; L552-N556 PolarHBondContact O-N 2.88Å; A553-N556 PolarHBondContact O-N 3.43Å; N556-S560 WeakPolarHBondContact O-CB 3.24Å; N556-S560 PolarHBondContact O-N 2.67Å; N556-S560 PolarHBondContact O-OG 3.12Å; N556-G592 PolarHBondContact ND2-O 3.29Å; N556-G592 PolarHBondContact OD1-O 3.3Å; N556-Y594 WeakPolarHBondContact OD1-CA 3.42Å; N556-Y594 WeakPolarHBondContact OD1-CB 3.19Å; N556-Y594 PolarHBondContact OD1-N 2.98Å; N556-F595 HydrophobicContact CB-CB 4.38Å; N556-F595 PolarHBondContact OD1-N 2.65Å
557	K	91.6	Very high	90	Very high	57 Å²	57	39.9 Å²	39.9	25%	0.248	21%	0.212	C	C	.	.	H	α-helix	trans	-64	-44.7	175.7	-176.9	179	176.6	-175.3	0	112.2	D536 N546 A553 G554 M555 S560 Q561	D536-K557 IonicContact OD1-NZ 3.36Å; D536-K557 VanDerWaalsContact OD2-CE 3.24Å; D536-K557 WeakPolarHBondContact OD2-CE 3.37Å; D536-K557 IonicContact OD2-NZ 2.67Å; D536-K557 PolarHBondContact OD2-NZ 2.84Å; N546-K557 PolarHBondContact ND2-NZ 3.1Å; N546-K557 PolarHBondContact OD1-NZ 2.92Å; A553-K557 WeakPolarHBondContact O-CB 3.4Å; A553-K557 PolarHBondContact O-N 2.93Å; G554-K557 PolarHBondContact O-N 2.87Å; M555-K557 VanDerWaalsContact C-N 3.33Å; M555-K557 PolarHBondContact O-N 3.38Å; K557-S560 PolarHBondContact O-OG 3.46Å; K557-Q561 WeakPolarHBondContact O-CG 3.35Å; K557-Q561 PolarHBondContact O-N 3.43Å
558	F	92.1	Very high	89.6	Confident	4 Å²	4	41.4 Å²	41.4	2%	0.018	21%	0.21	C	C	.	.	H	α-helix	trans	-65.3	-43.3	179.2	177.7	-115.1	0	0	0	111.9	V249 L378 F522 V534 G554 M555 Q561 L562	V249-F558 HydrophobicContact CB-CE1 4.27Å; V249-F558 HydrophobicContact CB-CZ 4.05Å; V249-F558 HydrophobicContact CG1-CE1 4.36Å; V249-F558 HydrophobicContact CG2-CE1 4.01Å; V249-F558 HydrophobicContact CG2-CZ 4Å; L378-F558 HydrophobicContact CB-CD1 4.15Å; L378-F558 HydrophobicContact CB-CD2 3.98Å; L378-F558 HydrophobicContact CB-CE1 4.22Å; L378-F558 HydrophobicContact CB-CE2 4.08Å; L378-F558 HydrophobicContact CB-CG 4Å; L378-F558 HydrophobicContact CB-CZ 4.18Å; L378-F558 HydrophobicContact CD1-CB 4.38Å; L378-F558 HydrophobicContact CD1-CD1 3.81Å; L378-F558 HydrophobicContact CD1-CE1 4.3Å; L378-F558 HydrophobicContact CD1-CG 4.12Å; F522-F558 HydrophobicContact CE1-CD1 4.12Å; F522-F558 AromaticContact CE1-CE1 3.97Å; F522-F558 HydrophobicContact CE1-CE1 3.97Å; F522-F558 HydrophobicContact CZ-CD1 4.19Å; F522-F558 AromaticContact CZ-CE1 3.76Å; F522-F558 HydrophobicContact CZ-CE1 3.76Å; V534-F558 HydrophobicContact CG1-CB 4.04Å; V534-F558 HydrophobicContact CG1-CD2 4.19Å; V534-F558 HydrophobicContact CG2-CB 4.15Å; G554-F558 WeakPolarHBondContact O-CB 3.4Å; G554-F558 PolarHBondContact O-N 3.31Å; M555-F558 PolarHBondContact O-N 2.91Å; F558-Q561 PolarHBondContact O-N 3.28Å; F558-L562 HydrophobicContact CD1-CD1 4.17Å; F558-L562 HydrophobicContact CD2-CD1 4.5Å; F558-L562 HydrophobicContact CE1-CD1 3.61Å; F558-L562 HydrophobicContact CE2-CD1 3.97Å; F558-L562 HydrophobicContact CE2-CG 4.43Å; F558-L562 HydrophobicContact CZ-CD1 3.51Å; F558-L562 HydrophobicContact CZ-CG 4.43Å; F558-L562 WeakPolarHBondContact O-CG 3.42Å; F558-L562 PolarHBondContact O-N 3.44Å
559	L	91.2	Very high	89	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-69.9	-33.9	179.7	-74.2	-176.9	0	0	0	113.1	F522 M555 Q561 L562 E563 I564 F566 Y594 F595	F522-L559 HydrophobicContact CE1-CD2 3.76Å; F522-L559 HydrophobicContact CE1-CG 4.47Å; F522-L559 HydrophobicContact CE2-CD2 4.31Å; F522-L559 HydrophobicContact CZ-CD2 3.39Å; M555-L559 VanDerWaalsContact O-CB 3.24Å; M555-L559 WeakPolarHBondContact O-CB 3.46Å; M555-L559 VanDerWaalsContact O-CG 3.27Å; M555-L559 WeakPolarHBondContact O-CG 3.36Å; M555-L559 PolarHBondContact O-N 2.96Å; L559-Q561 VanDerWaalsContact C-N 3.34Å; L559-L562 CarbonylContact O-C 3.48Å; L559-L562 PolarHBondContact O-N 3.45Å; L559-E563 PolarHBondContact O-N 2.97Å; L559-I564 WeakPolarHBondContact CB-O 3.44Å; L559-I564 PolarHBondContact O-N 3.44Å; L559-F566 HydrophobicContact CD1-CB 4.06Å; L559-F566 HydrophobicContact CD1-CD2 3.6Å; L559-F566 HydrophobicContact CD1-CE2 4.42Å; L559-F566 HydrophobicContact CD1-CG 4.14Å; L559-F566 HydrophobicContact CD2-CD2 3.61Å; L559-F566 HydrophobicContact CD2-CE2 3.64Å; L559-F566 HydrophobicContact CG-CD2 4.3Å; L559-Y594 WeakPolarHBondContact CD1-O 3.47Å; L559-F595 HydrophobicContact CD1-CB 3.86Å; L559-F595 HydrophobicContact CD1-CD2 3.76Å; L559-F595 HydrophobicContact CD1-CG 4.29Å
560	S	90.2	Very high	88.4	Confident	42 Å²	42	43.1 Å²	43.1	29%	0.294	23%	0.225	S	C	.	.	H	α-helix	trans	-64.8	-38.4	175	71.8	0	0	0	0	112.1	N556 K557 L562 E563	N556-S560 WeakPolarHBondContact O-CB 3.24Å; N556-S560 PolarHBondContact O-N 2.67Å; N556-S560 PolarHBondContact O-OG 3.12Å; K557-S560 PolarHBondContact O-OG 3.46Å; S560-L562 PolarHBondContact O-N 3.37Å; S560-E563 PolarHBondContact O-N 3.43Å; S560-E563 VanDerWaalsContact O-N 3.11Å
561	Q	88.4	Confident	87.8	Confident	83 Å²	83	44.4 Å²	44.4	39%	0.388	23%	0.229	S	C	.	.	H	α-helix	trans	-62.8	-30.3	174.3	-71	171.2	-4	0	0	113.4	D536 K557 F558 L559	D536-Q561 PolarHBondContact OD1-NE2 3.46Å; K557-Q561 WeakPolarHBondContact O-CG 3.35Å; K557-Q561 PolarHBondContact O-N 3.43Å; F558-Q561 PolarHBondContact O-N 3.28Å; L559-Q561 VanDerWaalsContact C-N 3.34Å
562	L	87.3	Confident	87.2	Confident	22 Å²	22	43.5 Å²	43.5	12%	0.115	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-1.6	178.7	-58.7	176.8	0	0	0	112.8	V249 K250 F558 L559 S560 I564	V249-L562 HydrophobicContact CB-CD1 4.08Å; V249-L562 HydrophobicContact CG1-CD1 3.54Å; K250-L562 HydrophobicContact CB-CD2 3.76Å; K250-L562 HydrophobicContact CD-CD2 4.08Å; K250-L562 HydrophobicContact CG-CD2 4.08Å; F558-L562 HydrophobicContact CD1-CD1 4.17Å; F558-L562 HydrophobicContact CD2-CD1 4.5Å; F558-L562 HydrophobicContact CE1-CD1 3.61Å; F558-L562 HydrophobicContact CE2-CD1 3.97Å; F558-L562 HydrophobicContact CE2-CG 4.43Å; F558-L562 HydrophobicContact CZ-CD1 3.51Å; F558-L562 HydrophobicContact CZ-CG 4.43Å; F558-L562 WeakPolarHBondContact O-CG 3.42Å; F558-L562 PolarHBondContact O-N 3.44Å; L559-L562 CarbonylContact O-C 3.48Å; L559-L562 PolarHBondContact O-N 3.45Å; S560-L562 PolarHBondContact O-N 3.37Å; L562-I564 VanDerWaalsContact C-N 3.28Å; L562-I564 HydrophobicContact CB-CD1 3.43Å; L562-I564 VanDerWaalsContact CB-CD1 3.43Å; L562-I564 HydrophobicContact CB-CG1 4.44Å; L562-I564 HydrophobicContact CD1-CD1 4.3Å; L562-I564 VanDerWaalsContact O-CD1 3.24Å; L562-I564 WeakPolarHBondContact O-CD1 3.29Å; L562-I564 WeakPolarHBondContact O-CG1 3.26Å; L562-I564 PolarHBondContact O-N 3.26Å
563	E	87.5	Confident	86.8	Confident	141 Å²	141	43.7 Å²	43.7	66%	0.659	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.6	35.5	-178.1	-56.6	-175.4	156.1	0	0	114.4	L559 S560 K589	L559-E563 PolarHBondContact O-N 2.97Å; S560-E563 PolarHBondContact O-N 3.43Å; S560-E563 VanDerWaalsContact O-N 3.11Å; E563-K589 WeakPolarHBondContact O-CE 3.47Å; E563-K589 PolarHBondContact O-NZ 2.73Å
564	I	88.2	Confident	86.5	Confident	23 Å²	23	41.8 Å²	41.8	12%	0.118	20%	0.202	C	C	.	.			trans	-124.2	144.5	-177.2	-62.3	137.1	0	0	0	110.5	L253 L559 L562 F566 I577 Y594	L253-I564 HydrophobicContact CD1-CD1 2.99Å; L253-I564 HydrophobicContact CD1-CG1 3.81Å; L253-I564 HydrophobicContact CG-CD1 4.46Å; L559-I564 WeakPolarHBondContact CB-O 3.44Å; L559-I564 PolarHBondContact O-N 3.44Å; L562-I564 VanDerWaalsContact C-N 3.28Å; L562-I564 HydrophobicContact CB-CD1 3.43Å; L562-I564 VanDerWaalsContact CB-CD1 3.43Å; L562-I564 HydrophobicContact CB-CG1 4.44Å; L562-I564 HydrophobicContact CD1-CD1 4.3Å; L562-I564 VanDerWaalsContact O-CD1 3.24Å; L562-I564 WeakPolarHBondContact O-CD1 3.29Å; L562-I564 WeakPolarHBondContact O-CG1 3.26Å; L562-I564 PolarHBondContact O-N 3.26Å; I564-F566 HydrophobicContact CG2-CD2 4.07Å; I564-F566 HydrophobicContact CG2-CE2 3.81Å; I564-I577 HydrophobicContact CG2-CD1 3.44Å; I564-I577 VanDerWaalsContact CG2-CD1 3.44Å; I564-I577 HydrophobicContact CG2-CG1 3.45Å; I564-I577 VanDerWaalsContact CG2-CG1 3.45Å; I564-Y594 WeakPolarHBondContact O-CD1 3.3Å
565	T	90	Very high	86.3	Confident	0 Å²	0	42 Å²	42	0%	0	20%	0.203	C	C	.	.			trans	-115	146.1	177.8	60.8	0	0	0	0	112.1	N578 D585 Q588 K589 Y594	T565-N578 PolarHBondContact O-N 3.31Å; T565-N578 WeakPolarHBondContact OG1-CB 3.21Å; T565-N578 PolarHBondContact OG1-ND2 2.93Å; T565-D585 WeakPolarHBondContact CG2-OD1 3.18Å; T565-D585 WeakPolarHBondContact OG1-CA 3.24Å; T565-D585 PolarHBondContact OG1-OD1 3.46Å; T565-Q588 VanDerWaalsContact CB-OE1 3.32Å; T565-Q588 HydrophobicContact CG2-CB 3.64Å; T565-Q588 PolarHBondContact OG1-OE1 3.28Å; T565-K589 HydrophobicContact CG2-CD 4.48Å; T565-K589 HydrophobicContact CG2-CG 3.69Å; T565-Y594 HydrophobicContact CG2-CD1 3.75Å; T565-Y594 HydrophobicContact CG2-CE1 4.3Å; T565-Y594 HydrophobicContact CG2-CG 4.36Å
566	F	89.4	Confident	86.1	Confident	1 Å²	1	43.1 Å²	43.1	0%	0.004	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	140	177.1	-85.1	-105.7	0	0	0	111.4	F522 L559 I564 P575 R576 I577 Q588 Y594 F596	F522-F566 HydrophobicContact CB-CE1 4.26Å; F522-F566 HydrophobicContact CB-CZ 4.36Å; F522-F566 HydrophobicContact CD1-CZ 4.35Å; F522-F566 HydrophobicContact CD2-CE1 4.06Å; F522-F566 AromaticContact CD2-CE2 4Å; F522-F566 HydrophobicContact CD2-CE2 4Å; F522-F566 AromaticContact CD2-CZ 3.33Å; F522-F566 HydrophobicContact CD2-CZ 3.33Å; F522-F566 HydrophobicContact CE1-CE2 4.42Å; F522-F566 AromaticContact CE2-CE2 3.64Å; F522-F566 HydrophobicContact CE2-CE2 3.64Å; F522-F566 AromaticContact CE2-CZ 3.47Å; F522-F566 HydrophobicContact CE2-CZ 3.47Å; F522-F566 VanDerWaalsContact CE2-CZ 3.47Å; F522-F566 HydrophobicContact CG-CE1 4.12Å; F522-F566 HydrophobicContact CG-CE2 4.47Å; F522-F566 AromaticContact CG-CZ 3.79Å; F522-F566 HydrophobicContact CG-CZ 3.79Å; F522-F566 AromaticContact CZ-CE2 3.91Å; F522-F566 HydrophobicContact CZ-CE2 3.91Å; F522-F566 HydrophobicContact CZ-CZ 4.1Å; L559-F566 HydrophobicContact CD1-CB 4.06Å; L559-F566 HydrophobicContact CD1-CD2 3.6Å; L559-F566 HydrophobicContact CD1-CE2 4.42Å; L559-F566 HydrophobicContact CD1-CG 4.14Å; L559-F566 HydrophobicContact CD2-CD2 3.61Å; L559-F566 HydrophobicContact CD2-CE2 3.64Å; L559-F566 HydrophobicContact CG-CD2 4.3Å; I564-F566 HydrophobicContact CG2-CD2 4.07Å; I564-F566 HydrophobicContact CG2-CE2 3.81Å; F566-P575 HydrophobicContact CD1-CB 3.7Å; F566-P575 HydrophobicContact CE1-CB 4.15Å; F566-R576 CarbonylContact C-O 3.55Å; F566-R576 VanDerWaalsContact CA-O 3.25Å; F566-R576 WeakPolarHBondContact CA-O 3.08Å; F566-I577 HydrophobicContact CD1-CB 4.42Å; F566-I577 HydrophobicContact CE1-CB 3.93Å; F566-I577 HydrophobicContact CE2-CB 4.05Å; F566-I577 HydrophobicContact CE2-CD1 4.23Å; F566-I577 HydrophobicContact CE2-CG1 4.05Å; F566-I577 HydrophobicContact CZ-CB 3.72Å; F566-I577 HydrophobicContact CZ-CD1 4.29Å; F566-I577 HydrophobicContact CZ-CG1 4.17Å; F566-Q588 PolarHBondContact O-NE2 3Å; F566-Q588 PolarHBondContact O-OE1 3.22Å; F566-Y594 PolarHBondContact N-O 3.21Å; F566-F596 PolarHBondContact O-N 3.23Å; F566-F596 VanDerWaalsContact O-N 3.12Å
567	R	87.1	Confident	86	Confident	71 Å²	71	41.9 Å²	41.9	27%	0.268	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	161	173.3	63.6	178	174.6	168.2	-0.6	111	R576 N578 F596	R567-R576 HydrophobicContact CG-CB 4.04Å; R567-R576 PolarHBondContact N-O 2.84Å; R567-R576 PolarHBondContact O-N 2.8Å; R567-N578 WeakPolarHBondContact CD-OD1 3.35Å; R567-N578 PolarHBondContact NE-OD1 3.01Å; R567-N578 VanDerWaalsContact NE-OD1 3.14Å; R567-F596 VanDerWaalsContact C-CE1 3.47Å; R567-F596 WeakPolarHBondContact O-CE1 3.48Å
568	R	83.5	Confident	85.8	Confident	80 Å²	80	39.4 Å²	39.4	30%	0.302	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	142.4	171.9	-64.5	-173	178.1	176.1	-1.6	109.9	E335 F596	E335-R568 IonicContact OE1-CZ 2.93Å; E335-R568 IonicContact OE1-NH1 3.64Å; E335-R568 PolarHBondContact OE1-NH1 2.87Å; E335-R568 IonicContact OE1-NH2 3.35Å; E335-R568 PolarHBondContact OE1-NH2 2.99Å; R568-F596 HydrophobicContact CB-CD1 4.19Å; R568-F596 HydrophobicContact CB-CE1 4.09Å; R568-F596 HydrophobicContact CG-CD1 3.16Å; R568-F596 HydrophobicContact CG-CD2 4.4Å; R568-F596 HydrophobicContact CG-CE1 3.13Å; R568-F596 HydrophobicContact CG-CE2 4.37Å; R568-F596 HydrophobicContact CG-CG 3.81Å; R568-F596 HydrophobicContact CG-CZ 3.76Å
569	D	82.5	Confident	85.4	Confident	1 Å²	1	43.4 Å²	43.4	1%	0.005	21%	0.208	C	C	.	.			trans	-75.6	132.5	161.4	-162.6	-97.4	0	0	0	109.1	R306 N310 N571 Y573 R574 R576	R306-D569 IonicContact CZ-OD2 2.68Å; R306-D569 IonicContact NE-OD2 3.65Å; R306-D569 PolarHBondContact NE-OD2 3.02Å; R306-D569 VanDerWaalsContact NE-OD2 3.08Å; R306-D569 IonicContact NH2-OD1 2.78Å; R306-D569 IonicContact NH2-OD2 3.65Å; N310-D569 PolarHBondContact ND2-OD1 3.47Å; D569-N571 PolarHBondContact O-N 2.91Å; D569-N571 PolarHBondContact OD1-N 2.73Å; D569-Y573 WeakPolarHBondContact O-CA 3.3Å; D569-Y573 PolarHBondContact O-N 2.68Å; D569-R574 HydrophobicContact CB-CG 4Å; D569-R574 PolarHBondContact N-O 2.79Å; D569-R576 HydrophobicContact CB-CG 4.22Å; D569-R576 WeakPolarHBondContact OD2-CD 2.94Å; D569-R576 IonicContact OD2-NH1 2.79Å; D569-R576 PolarHBondContact OD2-NH1 2.68Å
570	P	78.6	Confident	84.9	Confident	86 Å²	86	48.1 Å²	48.1	56%	0.558	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-19.3	-174	28.2	-36.9	0	0	0	113.4
571	N	78.1	Confident	84.6	Confident	114 Å²	114	51.9 Å²	51.9	61%	0.61	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-39.3	-174.6	-64.2	7	0	0	0	112.4	D569	D569-N571 PolarHBondContact O-N 2.91Å; D569-N571 PolarHBondContact OD1-N 2.73Å
572	N	76.6	Confident	84.5	Confident	5 Å²	5	49.8 Å²	49.8	3%	0.027	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.7	5.9	-172.4	60.8	26.1	0	0	0	114.1	N310 L313 F331 R574	N310-N572 PolarHBondContact OD1-ND2 3.14Å; L313-N572 WeakPolarHBondContact CD1-ND2 3.4Å; F331-N572 WeakPolarHBondContact CB-O 3.45Å; F331-N572 PolarHBondContact N-O 2.93Å; N572-R574 PolarHBondContact O-N 3.33Å; N572-R574 VanDerWaalsContact O-N 3.09Å; N572-R574 WeakPolarHBondContact OD1-CB 3.41Å; N572-R574 VanDerWaalsContact OD1-CG 3.32Å; N572-R574 WeakPolarHBondContact OD1-CG 3.23Å; N572-R574 PolarHBondContact OD1-N 3.03Å; N572-R574 VanDerWaalsContact OD1-N 3.16Å
573	Y	78.8	Confident	84.6	Confident	112 Å²	112	55.7 Å²	55.7	44%	0.439	27%	0.274	S	S	.	.			trans	59.7	14.4	178.4	-56.4	-82.1	0	0	0	115.1	F331 D569	F331-Y573 WeakPolarHBondContact O-CB 3.44Å; D569-Y573 WeakPolarHBondContact O-CA 3.3Å; D569-Y573 PolarHBondContact O-N 2.68Å
574	R	85.1	Confident	84.5	Confident	2 Å²	2	54 Å²	54	1%	0.008	26%	0.264	C	S	.	.			trans	-65.9	145.4	179.6	83.6	178.4	-174.1	-130.5	-5.1	110.9	D280 N310 F331 D569 N572 R576	D280-R574 IonicContact OD1-NH2 2.69Å; N310-R574 PolarHBondContact OD1-NH1 2.67Å; F331-R574 HydrophobicContact CB-CB 4.45Å; F331-R574 HydrophobicContact CD2-CB 3.45Å; F331-R574 VanDerWaalsContact CD2-CB 3.45Å; F331-R574 HydrophobicContact CE2-CB 3.89Å; F331-R574 HydrophobicContact CG-CB 4.01Å; D569-R574 HydrophobicContact CB-CG 4Å; D569-R574 PolarHBondContact N-O 2.79Å; N572-R574 PolarHBondContact O-N 3.33Å; N572-R574 VanDerWaalsContact O-N 3.09Å; N572-R574 WeakPolarHBondContact OD1-CB 3.41Å; N572-R574 VanDerWaalsContact OD1-CG 3.32Å; N572-R574 WeakPolarHBondContact OD1-CG 3.23Å; N572-R574 PolarHBondContact OD1-N 3.03Å; N572-R574 VanDerWaalsContact OD1-N 3.16Å; R574-R576 HydrophobicContact CG-CG 4.03Å; R574-R576 PolarHBondContact O-N 3.22Å
575	P	84.6	Confident	84.6	Confident	3 Å²	3	53 Å²	53	2%	0.019	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	129.6	167.7	-10.4	20.4	0	0	0	111.4	T526 F566 F596	T526-P575 HydrophobicContact CG2-CG 4.15Å; T526-P575 WeakPolarHBondContact OG1-CG 3.28Å; F566-P575 HydrophobicContact CD1-CB 3.7Å; F566-P575 HydrophobicContact CE1-CB 4.15Å; P575-F596 HydrophobicContact CB-CE1 4.17Å; P575-F596 HydrophobicContact CB-CZ 3.78Å; P575-F596 HydrophobicContact CG-CZ 3.9Å
576	R	86.7	Confident	84.6	Confident	24 Å²	24	55.6 Å²	55.6	9%	0.091	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	129.1	174.1	-65.7	-170.3	63.3	-170.2	1.6	110.2	D280 F566 R567 D569 R574	D280-R576 IonicContact OD1-CZ 3.52Å; D280-R576 IonicContact OD1-NE 3.83Å; D280-R576 PolarHBondContact OD1-NE 3.4Å; D280-R576 IonicContact OD1-NH2 3.93Å; D280-R576 PolarHBondContact OD1-NH2 3.27Å; D280-R576 IonicContact OD2-CZ 3.13Å; D280-R576 IonicContact OD2-NE 3.32Å; D280-R576 PolarHBondContact OD2-NE 2.77Å; D280-R576 IonicContact OD2-NH2 3.94Å; D280-R576 PolarHBondContact OD2-NH2 3.23Å; F566-R576 CarbonylContact C-O 3.55Å; F566-R576 VanDerWaalsContact CA-O 3.25Å; F566-R576 WeakPolarHBondContact CA-O 3.08Å; R567-R576 HydrophobicContact CG-CB 4.04Å; R567-R576 PolarHBondContact N-O 2.84Å; R567-R576 PolarHBondContact O-N 2.8Å; D569-R576 HydrophobicContact CB-CG 4.22Å; D569-R576 WeakPolarHBondContact OD2-CD 2.94Å; D569-R576 IonicContact OD2-NH1 2.79Å; D569-R576 PolarHBondContact OD2-NH1 2.68Å; R574-R576 HydrophobicContact CG-CG 4.03Å; R574-R576 PolarHBondContact O-N 3.22Å
577	I	88	Confident	84.6	Confident	8 Å²	8	61.5 Å²	61.5	4%	0.041	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	135.3	174.3	-173.6	168.9	0	0	0	110.1	L253 S277 Y281 I564 F566	L253-I577 HydrophobicContact CD1-CD1 3.99Å; L253-I577 HydrophobicContact CD2-CD1 3.35Å; L253-I577 HydrophobicContact CG-CD1 4.33Å; S277-I577 VanDerWaalsContact O-CG2 3.3Å; S277-I577 WeakPolarHBondContact O-CG2 3.44Å; Y281-I577 HydrophobicContact CD2-CD1 3.98Å; Y281-I577 HydrophobicContact CD2-CG1 4.18Å; Y281-I577 HydrophobicContact CD2-CG2 4.15Å; Y281-I577 HydrophobicContact CG-CD1 4.43Å; Y281-I577 HydrophobicContact CG-CG2 4.36Å; I564-I577 HydrophobicContact CG2-CD1 3.44Å; I564-I577 VanDerWaalsContact CG2-CD1 3.44Å; I564-I577 HydrophobicContact CG2-CG1 3.45Å; I564-I577 VanDerWaalsContact CG2-CG1 3.45Å; F566-I577 HydrophobicContact CD1-CB 4.42Å; F566-I577 HydrophobicContact CE1-CB 3.93Å; F566-I577 HydrophobicContact CE2-CB 4.05Å; F566-I577 HydrophobicContact CE2-CD1 4.23Å; F566-I577 HydrophobicContact CE2-CG1 4.05Å; F566-I577 HydrophobicContact CZ-CB 3.72Å; F566-I577 HydrophobicContact CZ-CD1 4.29Å; F566-I577 HydrophobicContact CZ-CG1 4.17Å
578	N	87.1	Confident	84.7	Confident	5 Å²	5	58.6 Å²	58.6	3%	0.027	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-81.4	144.5	172	-65.3	-44.6	0	0	0	110.9	T565 R567 D585 Q588	T565-N578 PolarHBondContact O-N 3.31Å; T565-N578 WeakPolarHBondContact OG1-CB 3.21Å; T565-N578 PolarHBondContact OG1-ND2 2.93Å; R567-N578 WeakPolarHBondContact CD-OD1 3.35Å; R567-N578 PolarHBondContact NE-OD1 3.01Å; R567-N578 VanDerWaalsContact NE-OD1 3.14Å; N578-D585 HydrophobicContact CB-CB 3.93Å; N578-Q588 PolarHBondContact ND2-OE1 3.38Å
579	K	83.6	Confident	85.1	Confident	89 Å²	89	57.2 Å²	57.2	39%	0.387	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-65.3	140.3	169.4	-68.1	-172.8	176.2	-174.7	0	108.9	D284 N581 S582 D585	D284-K579 IonicContact OD1-NZ 3.45Å; K579-N581 PolarHBondContact O-N 2.81Å; K579-S582 WeakPolarHBondContact O-CB 3.43Å; K579-S582 PolarHBondContact O-N 2.82Å; K579-S582 VanDerWaalsContact O-N 3.07Å; K579-S582 PolarHBondContact O-OG 3.28Å; K579-D585 WeakPolarHBondContact O-CB 3.2Å
580	L	82	Confident	85.4	Confident	98 Å²	98	65.5 Å²	65.5	51%	0.513	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	133.6	-179.4	-174.3	72.2	0	0	0	110.2	S582	L580-S582 PolarHBondContact O-N 3.46Å; L580-S582 VanDerWaalsContact O-N 3.12Å
581	N	83.8	Confident	85.9	Confident	122 Å²	122	64.2 Å²	64.2	65%	0.652	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.1	13	179.9	-56.5	-31.8	0	0	0	115.1	K579 D585	K579-N581 PolarHBondContact O-N 2.81Å; N581-D585 PolarHBondContact N-OD2 2.88Å; N581-D585 VanDerWaalsContact N-OD2 3.09Å
582	S	86.7	Confident	86.4	Confident	38 Å²	38	60.3 Å²	60.3	27%	0.266	30%	0.304	S	S	.	.			trans	-65.4	156.6	166.2	66.7	0	0	0	0	110.4	K579 L580 K584 D585 V586	K579-S582 WeakPolarHBondContact O-CB 3.43Å; K579-S582 PolarHBondContact O-N 2.82Å; K579-S582 VanDerWaalsContact O-N 3.07Å; K579-S582 PolarHBondContact O-OG 3.28Å; L580-S582 PolarHBondContact O-N 3.46Å; L580-S582 VanDerWaalsContact O-N 3.12Å; S582-K584 PolarHBondContact O-N 2.75Å; S582-D585 WeakPolarHBondContact O-CB 3.34Å; S582-D585 PolarHBondContact O-N 3.28Å; S582-D585 WeakPolarHBondContact OG-CB 3.39Å; S582-D585 PolarHBondContact OG-N 3.16Å; S582-V586 WeakPolarHBondContact O-CG2 3.23Å; S582-V586 PolarHBondContact O-N 3.44Å
583	I	88.3	Confident	86.9	Confident	147 Å²	147	63.1 Å²	63.1	75%	0.754	32%	0.319	S	S	*	.	H	α-helix	trans	-51.2	-46.4	-179.4	-61.4	172	0	0	0	111	V586 E587	I583-V586 PolarHBondContact O-N 3.25Å; I583-E587 WeakPolarHBondContact O-CB 3.43Å; I583-E587 PolarHBondContact O-N 3.2Å
584	K	86.6	Confident	87.4	Confident	106 Å²	106	59.9 Å²	59.9	46%	0.461	31%	0.306	S	S	.	.	H	α-helix	trans	-66.4	-39.1	178.2	-66.8	-166.5	178.4	-153.4	0	112.8	S582 V586 E587 Q588	S582-K584 PolarHBondContact O-N 2.75Å; K584-V586 VanDerWaalsContact C-N 3.33Å; K584-V586 PolarHBondContact O-N 2.9Å; K584-E587 PolarHBondContact O-N 3.5Å; K584-Q588 WeakPolarHBondContact O-CB 3.48Å; K584-Q588 VanDerWaalsContact O-CG 3.25Å; K584-Q588 WeakPolarHBondContact O-CG 3.07Å; K584-Q588 PolarHBondContact O-N 3.33Å
585	D	88.9	Confident	87.4	Confident	2 Å²	2	60.1 Å²	60.1	1%	0.011	31%	0.307	C	S	.	.	H	α-helix	trans	-60.7	-44.4	176.4	-177.2	55.3	0	0	0	111.5	T565 N578 K579 N581 S582 K589	T565-D585 WeakPolarHBondContact CG2-OD1 3.18Å; T565-D585 WeakPolarHBondContact OG1-CA 3.24Å; T565-D585 PolarHBondContact OG1-OD1 3.46Å; N578-D585 HydrophobicContact CB-CB 3.93Å; K579-D585 WeakPolarHBondContact O-CB 3.2Å; N581-D585 PolarHBondContact N-OD2 2.88Å; N581-D585 VanDerWaalsContact N-OD2 3.09Å; S582-D585 WeakPolarHBondContact O-CB 3.34Å; S582-D585 PolarHBondContact O-N 3.28Å; S582-D585 WeakPolarHBondContact OG-CB 3.39Å; S582-D585 PolarHBondContact OG-N 3.16Å; D585-K589 WeakPolarHBondContact O-CB 3.4Å; D585-K589 VanDerWaalsContact O-CG 3.27Å; D585-K589 PolarHBondContact O-N 2.96Å; D585-K589 WeakPolarHBondContact O-CG 3.43Å; D585-K589 PolarHBondContact OD2-NZ 3.03Å; D585-K589 IonicContact OD2-NZ 2.84Å; D585-K589 WeakPolarHBondContact OD2-CE 3.22Å; D585-K589 PolarHBondContact OD1-NZ 3.48Å; D585-K589 IonicContact OD1-NZ 3.31Å; D585-K589 WeakPolarHBondContact OD1-CE 3.36Å; D585-K589 VanDerWaalsContact OD1-CE 3.27Å
586	V	89.6	Confident	86.9	Confident	54 Å²	54	61 Å²	61	33%	0.327	31%	0.311	S	S	.	.	H	α-helix	trans	-65.7	-42.6	178.8	176.5	0	0	0	0	111.5	S582 I583 K584 K590	S582-V586 WeakPolarHBondContact O-CG2 3.23Å; S582-V586 PolarHBondContact O-N 3.44Å; I583-V586 PolarHBondContact O-N 3.25Å; K584-V586 VanDerWaalsContact C-N 3.33Å; K584-V586 PolarHBondContact O-N 2.9Å; V586-K590 HydrophobicContact CG1-CD 4.24Å; V586-K590 WeakPolarHBondContact O-CB 3.17Å; V586-K590 VanDerWaalsContact O-CG 3.3Å; V586-K590 WeakPolarHBondContact O-CG 3.49Å; V586-K590 PolarHBondContact O-N 3.47Å
587	E	89.9	Confident	85.1	Confident	125 Å²	125	63.6 Å²	63.6	58%	0.584	33%	0.326	S	S	*	.	H	α-helix	trans	-63.2	-49.7	178	-175.5	177.9	-167.1	0	0	112	I583 K584 K589 K590 S591	I583-E587 WeakPolarHBondContact O-CB 3.43Å; I583-E587 PolarHBondContact O-N 3.2Å; K584-E587 PolarHBondContact O-N 3.5Å; E587-K589 PolarHBondContact O-N 3.3Å; E587-K590 PolarHBondContact O-N 3.45Å; E587-S591 PolarHBondContact O-N 2.82Å
588	Q	90.4	Very high	83.3	Confident	10 Å²	10	70.6 Å²	70.6	5%	0.047	36%	0.363	C	S	.	.	H	α-helix	trans	-60	-44.7	177.5	-71.3	-156.2	-70.8	0	0	111.3	T565 F566 N578 K584 K590 S591 G592 N593 L597	T565-Q588 VanDerWaalsContact CB-OE1 3.32Å; T565-Q588 HydrophobicContact CG2-CB 3.64Å; T565-Q588 PolarHBondContact OG1-OE1 3.28Å; F566-Q588 PolarHBondContact O-NE2 3Å; F566-Q588 PolarHBondContact O-OE1 3.22Å; N578-Q588 PolarHBondContact ND2-OE1 3.38Å; K584-Q588 WeakPolarHBondContact O-CB 3.48Å; K584-Q588 VanDerWaalsContact O-CG 3.25Å; K584-Q588 WeakPolarHBondContact O-CG 3.07Å; K584-Q588 PolarHBondContact O-N 3.33Å; Q588-K590 PolarHBondContact O-N 2.65Å; Q588-S591 PolarHBondContact O-N 2.83Å; Q588-S591 PolarHBondContact O-OG 3.33Å; Q588-G592 PolarHBondContact O-N 3.49Å; Q588-N593 PolarHBondContact O-N 3.33Å; Q588-N593 WeakPolarHBondContact CB-O 3.07Å; Q588-L597 HydrophobicContact CB-CD1 4.18Å; Q588-L597 HydrophobicContact CG-CD1 3.54Å
589	K	90.6	Very high	81	Confident	51 Å²	51	81.3 Å²	81.3	22%	0.222	42%	0.421	C	S	.	.	H	α-helix	trans	-59.8	-44.2	174.9	-77.8	172.2	177.1	169.7	0	112.9	E563 T565 D585 E587 S591 G592 Y594	E563-K589 WeakPolarHBondContact O-CE 3.47Å; E563-K589 PolarHBondContact O-NZ 2.73Å; T565-K589 HydrophobicContact CG2-CD 4.48Å; T565-K589 HydrophobicContact CG2-CG 3.69Å; D585-K589 WeakPolarHBondContact O-CB 3.4Å; D585-K589 VanDerWaalsContact O-CG 3.27Å; D585-K589 PolarHBondContact O-N 2.96Å; D585-K589 WeakPolarHBondContact O-CG 3.43Å; D585-K589 PolarHBondContact OD2-NZ 3.03Å; D585-K589 IonicContact OD2-NZ 2.84Å; D585-K589 WeakPolarHBondContact OD2-CE 3.22Å; D585-K589 PolarHBondContact OD1-NZ 3.48Å; D585-K589 IonicContact OD1-NZ 3.31Å; D585-K589 WeakPolarHBondContact OD1-CE 3.36Å; D585-K589 VanDerWaalsContact OD1-CE 3.27Å; E587-K589 PolarHBondContact O-N 3.3Å; K589-S591 VanDerWaalsContact C-N 3.31Å; K589-S591 PolarHBondContact O-N 3.07Å; K589-G592 PolarHBondContact O-N 3.48Å; K589-Y594 HydrophobicContact CG-CD1 4.46Å; K589-Y594 HydrophobicContact CG-CE1 3.75Å
590	K	89.9	Confident	80.9	Confident	175 Å²	175	80.9 Å²	80.9	76%	0.761	42%	0.422	S	S	*	.	H	α-helix	trans	-64	-35.9	178	-76.9	179.5	-175.8	-177.4	0	112.7	V586 E587 Q588 G592	V586-K590 HydrophobicContact CG1-CD 4.24Å; V586-K590 WeakPolarHBondContact O-CB 3.17Å; V586-K590 VanDerWaalsContact O-CG 3.3Å; V586-K590 WeakPolarHBondContact O-CG 3.49Å; V586-K590 PolarHBondContact O-N 3.47Å; E587-K590 PolarHBondContact O-N 3.45Å; Q588-K590 PolarHBondContact O-N 2.65Å; K590-G592 VanDerWaalsContact C-N 3.27Å; K590-G592 PolarHBondContact O-N 2.68Å
591	S	89.1	Confident	80.8	Confident	58 Å²	58	80 Å²	80	41%	0.406	42%	0.418	S	S	.	.	H	α-helix	trans	-74.3	-14.8	177.1	73.1	0	0	0	0	114	E587 Q588 K589 N593	E587-S591 PolarHBondContact O-N 2.82Å; Q588-S591 PolarHBondContact O-N 2.83Å; Q588-S591 PolarHBondContact O-OG 3.33Å; K589-S591 VanDerWaalsContact C-N 3.31Å; K589-S591 PolarHBondContact O-N 3.07Å; S591-N593 PolarHBondContact O-N 2.62Å; S591-N593 WeakPolarHBondContact OG-CB 3.37Å; S591-N593 PolarHBondContact OG-N 2.74Å
592	G	87.8	Confident	80.7	Confident	33 Å²	33	77.7 Å²	77.7	34%	0.34	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	77	3.3	-172.1	0	0	0	0	0	114.6	N556 Q588 K589 K590 Y594	N556-G592 PolarHBondContact ND2-O 3.29Å; N556-G592 PolarHBondContact OD1-O 3.3Å; Q588-G592 PolarHBondContact O-N 3.49Å; K589-G592 PolarHBondContact O-N 3.48Å; K590-G592 VanDerWaalsContact C-N 3.27Å; K590-G592 PolarHBondContact O-N 2.68Å; G592-Y594 WeakPolarHBondContact O-CD2 3.4Å
593	N	87.9	Confident	80.3	Confident	64 Å²	64	80 Å²	80	34%	0.342	41%	0.413	S	S	.	.			trans	-102.5	94.6	179.4	-64.8	-32.6	0	0	0	111	Q588 S591 L597	Q588-N593 PolarHBondContact O-N 3.33Å; Q588-N593 WeakPolarHBondContact CB-O 3.07Å; S591-N593 PolarHBondContact O-N 2.62Å; S591-N593 WeakPolarHBondContact OG-CB 3.37Å; S591-N593 PolarHBondContact OG-N 2.74Å; N593-L597 HydrophobicContact CB-CD1 3.88Å; N593-L597 HydrophobicContact CB-CD2 4.41Å; N593-L597 HydrophobicContact CB-CG 3.87Å
594	Y	89.4	Confident	79.8	Confident	44 Å²	44	75.8 Å²	75.8	17%	0.173	39%	0.391	C	S	.	.			trans	-84.9	-27.5	177.4	-64.1	-102.3	0	0	0	113	N556 L559 I564 T565 F566 K589 G592	N556-Y594 WeakPolarHBondContact OD1-CA 3.42Å; N556-Y594 WeakPolarHBondContact OD1-CB 3.19Å; N556-Y594 PolarHBondContact OD1-N 2.98Å; L559-Y594 WeakPolarHBondContact CD1-O 3.47Å; I564-Y594 WeakPolarHBondContact O-CD1 3.3Å; T565-Y594 HydrophobicContact CG2-CD1 3.75Å; T565-Y594 HydrophobicContact CG2-CE1 4.3Å; T565-Y594 HydrophobicContact CG2-CG 4.36Å; F566-Y594 PolarHBondContact N-O 3.21Å; K589-Y594 HydrophobicContact CG-CD1 4.46Å; K589-Y594 HydrophobicContact CG-CE1 3.75Å; G592-Y594 WeakPolarHBondContact O-CD2 3.4Å
595	F	85.2	Confident	79.4	Confident	7 Å²	7	73.8 Å²	73.8	3%	0.031	39%	0.387	C	S	.	.	B	Isolated β-bridge	trans	-114.1	89.3	-179.6	-170.7	-111.5	0	0	0	111.9	T526 L551 M555 N556 L559	T526-F595 HydrophobicContact CG2-CE2 3.61Å; T526-F595 HydrophobicContact CG2-CZ 3.52Å; L551-F595 HydrophobicContact CD1-CE1 4.47Å; L551-F595 HydrophobicContact CD1-CZ 4.46Å; L551-F595 HydrophobicContact CD2-CE1 4.48Å; L551-F595 HydrophobicContact CG-CE1 4.02Å; L551-F595 HydrophobicContact CG-CZ 4.38Å; M555-F595 HydrophobicContact CB-CB 3.78Å; M555-F595 HydrophobicContact CB-CD1 3.48Å; M555-F595 VanDerWaalsContact CB-CD1 3.48Å; M555-F595 HydrophobicContact CB-CD2 3.51Å; M555-F595 HydrophobicContact CB-CE1 3.81Å; M555-F595 HydrophobicContact CB-CE2 3.84Å; M555-F595 HydrophobicContact CB-CG 3.29Å; M555-F595 HydrophobicContact CB-CZ 3.97Å; M555-F595 HydrophobicContact CG-CD1 4.09Å; M555-F595 HydrophobicContact CG-CD2 4.03Å; M555-F595 HydrophobicContact CG-CE1 3.87Å; M555-F595 HydrophobicContact CG-CE2 3.81Å; M555-F595 HydrophobicContact CG-CG 4.14Å; M555-F595 HydrophobicContact CG-CZ 3.72Å; M555-F595 HydrophobicContact SD-CE2 4.18Å; M555-F595 HydrophobicContact SD-CZ 4.49Å; N556-F595 HydrophobicContact CB-CB 4.38Å; N556-F595 PolarHBondContact OD1-N 2.65Å; L559-F595 HydrophobicContact CD1-CB 3.86Å; L559-F595 HydrophobicContact CD1-CD2 3.76Å; L559-F595 HydrophobicContact CD1-CG 4.29Å
596	F	73.3	Confident	78.7	Confident	20 Å²	20	78.9 Å²	78.9	9%	0.088	41%	0.414	C	S	.	.			trans	66.6	135.8	-179.8	-52.5	-53.7	0	0	0	116	F566 R567 R568 P575	F566-F596 PolarHBondContact O-N 3.23Å; F566-F596 VanDerWaalsContact O-N 3.12Å; R567-F596 VanDerWaalsContact C-CE1 3.47Å; R567-F596 WeakPolarHBondContact O-CE1 3.48Å; R568-F596 HydrophobicContact CB-CD1 4.19Å; R568-F596 HydrophobicContact CB-CE1 4.09Å; R568-F596 HydrophobicContact CG-CD1 3.16Å; R568-F596 HydrophobicContact CG-CD2 4.4Å; R568-F596 HydrophobicContact CG-CE1 3.13Å; R568-F596 HydrophobicContact CG-CE2 4.37Å; R568-F596 HydrophobicContact CG-CG 3.81Å; R568-F596 HydrophobicContact CG-CZ 3.76Å; P575-F596 HydrophobicContact CB-CE1 4.17Å; P575-F596 HydrophobicContact CB-CZ 3.78Å; P575-F596 HydrophobicContact CG-CZ 3.9Å
597	L	49.8	Very low	77.8	Confident	80 Å²	80	80.8 Å²	80.8	42%	0.419	42%	0.42	S	S	.	.			trans	-119.8	136.9	165.7	-95.1	137.1	0	0	0	106.1	Q588 N593 D599	Q588-L597 HydrophobicContact CB-CD1 4.18Å; Q588-L597 HydrophobicContact CG-CD1 3.54Å; N593-L597 HydrophobicContact CB-CD1 3.88Å; N593-L597 HydrophobicContact CB-CD2 4.41Å; N593-L597 HydrophobicContact CB-CG 3.87Å; L597-D599 PolarHBondContact O-N 2.65Å
598	D	48.4	Very low	76.8	Confident	154 Å²	154	77.2 Å²	77.2	82%	0.824	41%	0.407	S	S	*	.			trans	-52.2	128.5	-179.2	-71.8	-34.9	0	0	0	111.2
599	D	40.2	Very low	75.6	Confident	230 Å²	230	83.3 Å²	83.3	100%	1.23	44%	0.439	S	S	*	.			trans	-165.4	0	139.1	-87.6	-27.3	0	0	0	108.8	L597	L597-D599 PolarHBondContact O-N 2.65Å

Retrieved 599 of 599 residues in 272.1 ms (Link to these results)

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