A0A087XSA7_POEFO Loading...

Dynein axonemal intermediate chain 1

Part of the dynein complex of respiratory cilia.

AlphaFold DB , UniProt , Accession A0A087XSA7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 631 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	Q	44.7	Very low	69.7	Low	240 Å²	240	135.5 Å²	135.5	100%	1.122	70%	0.695	S	S	*	*				0	114.9	0	-160.9	165.2	-9.8	0	0	104.8
2	L	56.4	Low	70.1	Confident	164 Å²	164	139.5 Å²	139.5	86%	0.859	71%	0.709	S	S	*	*			trans	-78.1	125.1	-176.4	-89	136.7	0	0	0	108.3	L4	L2-L4 PolarHBondContact O-N 3.48Å; L2-L4 VanDerWaalsContact O-N 3.15Å
3	D	58.3	Low	70.4	Confident	166 Å²	166	137.8 Å²	137.8	89%	0.888	70%	0.701	S	S	*	*			trans	-72.9	101.1	172.9	-73.6	-27.1	0	0	0	108.3
4	L	76.8	Confident	71	Confident	104 Å²	104	137.5 Å²	137.5	55%	0.545	71%	0.709	S	S	.	*			trans	-74.3	146.2	177.5	-70.3	162.9	0	0	0	110.2	L2 E8 L9	L2-L4 PolarHBondContact O-N 3.48Å; L2-L4 VanDerWaalsContact O-N 3.15Å; L4-E8 HydrophobicContact CB-CB 4.3Å; L4-E8 HydrophobicContact CD2-CB 4.25Å; L4-L9 HydrophobicContact CB-CG 4.46Å
5	S	76.6	Confident	70.9	Confident	58 Å²	58	142.5 Å²	142.5	41%	0.406	72%	0.715	S	S	.	*			trans	-70	154.9	177.6	63.8	0	0	0	0	111.7	A7 E8 L9	S5-A7 PolarHBondContact O-N 3.06Å; S5-E8 PolarHBondContact N-OE2 3.27Å; S5-E8 PolarHBondContact O-N 3.42Å; S5-E8 VanDerWaalsContact OG-CD 3.26Å; S5-E8 WeakPolarHBondContact OG-CG 3.44Å; S5-E8 PolarHBondContact OG-OE2 3.18Å; S5-L9 PolarHBondContact O-N 3.03Å
6	E	75.4	Confident	71.3	Confident	155 Å²	155	140.9 Å²	140.9	72%	0.724	72%	0.715	S	S	*	*	H	α-helix	trans	-57.1	-22.6	179.4	-77.6	-169.8	166.3	0	0	113.7	K10	E6-K10 WeakPolarHBondContact O-CG 3.44Å
7	A	74.8	Confident	71.4	Confident	75 Å²	75	142.9 Å²	142.9	62%	0.62	73%	0.727	S	S	*	*	H	α-helix	trans	-74.7	-42.6	175.3	0	0	0	0	0	112.1	S5 L9 K10 E11	S5-A7 PolarHBondContact O-N 3.06Å; A7-L9 VanDerWaalsContact C-N 3.33Å; A7-K10 PolarHBondContact O-N 3.37Å; A7-E11 PolarHBondContact O-N 3.17Å
8	E	74.9	Confident	71.6	Confident	101 Å²	101	141.1 Å²	141.1	47%	0.472	72%	0.719	S	S	.	*	H	α-helix	trans	-72.3	-28.8	178.3	-67.1	163.9	146.4	0	0	111.8	L4 S5 K10 E11	L4-E8 HydrophobicContact CB-CB 4.3Å; L4-E8 HydrophobicContact CD2-CB 4.25Å; S5-E8 PolarHBondContact N-OE2 3.27Å; S5-E8 PolarHBondContact O-N 3.42Å; S5-E8 VanDerWaalsContact OG-CD 3.26Å; S5-E8 WeakPolarHBondContact OG-CG 3.44Å; S5-E8 PolarHBondContact OG-OE2 3.18Å; E8-K10 VanDerWaalsContact C-N 3.3Å; E8-K10 PolarHBondContact O-N 3.32Å; E8-E11 PolarHBondContact O-N 2.94Å
9	L	73.5	Confident	71.9	Confident	126 Å²	126	139.1 Å²	139.1	66%	0.66	73%	0.726	S	S	*	*	H	α-helix	trans	-69.6	-24.8	172.9	-94.1	153	0	0	0	113.6	L4 S5 A7	L4-L9 HydrophobicContact CB-CG 4.46Å; S5-L9 PolarHBondContact O-N 3.03Å; A7-L9 VanDerWaalsContact C-N 3.33Å
10	K	76.6	Confident	72.2	Confident	164 Å²	164	137.2 Å²	137.2	71%	0.713	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.6	-2.2	178.3	-74.1	174.9	-176.9	167.8	0	113.2	E6 A7 E8 E12	E6-K10 WeakPolarHBondContact O-CG 3.44Å; A7-K10 PolarHBondContact O-N 3.37Å; E8-K10 VanDerWaalsContact C-N 3.3Å; E8-K10 PolarHBondContact O-N 3.32Å; K10-E12 PolarHBondContact O-N 2.81Å
11	E	78.8	Confident	72.6	Confident	137 Å²	137	132.5 Å²	132.5	64%	0.64	69%	0.693	S	S	*	*			trans	-75.9	107.7	178.4	-161	174.8	-174.9	0	0	110	A7 E8 I13	A7-E11 PolarHBondContact O-N 3.17Å; E8-E11 PolarHBondContact O-N 2.94Å; E11-I13 PolarHBondContact O-N 3.33Å
12	E	73.9	Confident	74.3	Confident	184 Å²	184	126.6 Å²	126.6	86%	0.86	68%	0.675	S	S	*	*			trans	-73.7	93	176.5	-69.7	-173.9	172.4	0	0	110.2	K10 T14	K10-E12 PolarHBondContact O-N 2.81Å; E12-T14 PolarHBondContact O-N 2.89Å
13	I	75.1	Confident	75.4	Confident	117 Å²	117	127 Å²	127	60%	0.6	67%	0.672	S	S	*	*			trans	-79.3	100	175.2	-55.5	170.3	0	0	0	108.9	E11 R15	E11-I13 PolarHBondContact O-N 3.33Å; I13-R15 HydrophobicContact CG2-CG 4.14Å; I13-R15 PolarHBondContact O-N 2.76Å
14	T	77.9	Confident	76.6	Confident	134 Å²	134	120 Å²	120	82%	0.822	64%	0.638	S	S	*	*			trans	-62.8	102.8	168.3	34.3	0	0	0	0	110.3	E12	E12-T14 PolarHBondContact O-N 2.89Å
15	R	69.3	Low	76.9	Confident	212 Å²	212	118.7 Å²	118.7	80%	0.8	64%	0.635	S	S	*	*			trans	-89.4	110.4	174	-66.9	-172.9	-179.7	-175.4	1.2	110	I13	I13-R15 HydrophobicContact CG2-CG 4.14Å; I13-R15 PolarHBondContact O-N 2.76Å
16	V	77.4	Confident	77.1	Confident	117 Å²	117	125.5 Å²	125.5	71%	0.709	66%	0.658	S	S	*	*			trans	-84.1	121.9	170.1	-175.7	0	0	0	0	108.4	N18	V16-N18 PolarHBondContact O-N 2.96Å
17	L	74.1	Confident	77.4	Confident	175 Å²	175	124.2 Å²	124.2	92%	0.916	66%	0.656	S	S	*	*			trans	-77.6	107.1	176.2	-71.9	169.8	0	0	0	109.6
18	N	73.6	Confident	77.9	Confident	110 Å²	110	123.8 Å²	123.8	59%	0.588	64%	0.643	S	S	*	*			trans	-97.3	141.2	171.5	-66	-12.1	0	0	0	109.5	V16 N20	V16-N18 PolarHBondContact O-N 2.96Å; N18-N20 PolarHBondContact O-N 2.99Å
19	A	77.4	Confident	78.6	Confident	104 Å²	104	122.6 Å²	122.6	86%	0.86	64%	0.642	S	S	*	*			trans	-75.1	29.3	178.1	0	0	0	0	0	113.8
20	N	79.3	Confident	79.3	Confident	100 Å²	100	124.8 Å²	124.8	54%	0.535	64%	0.641	S	S	.	*			trans	-78.7	126.7	-175.8	-67.3	-8.3	0	0	0	110.4	N18	N18-N20 PolarHBondContact O-N 2.99Å
21	N	79.4	Confident	80.1	Confident	39 Å²	39	121.1 Å²	121.1	21%	0.209	62%	0.624	C	S	.	*			trans	-68.3	122.3	176.6	178.8	-6.4	0	0	0	111	H23 A24 H46	N21-H23 PolarHBondContact O-N 3.34Å; N21-H23 PolarHBondContact OD1-N 3.49Å; N21-A24 HydrophobicContact CB-CB 4.14Å; N21-A24 WeakPolarHBondContact O-CB 3.48Å; N21-A24 PolarHBondContact O-N 2.62Å; N21-H46 HydrophobicContact CB-CB 4.01Å; N21-H46 WeakPolarHBondContact CB-O 3.44Å; N21-H46 PolarHBondContact N-ND1 2.92Å
22	P	80.8	Confident	80.7	Confident	117 Å²	117	116 Å²	116	76%	0.76	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.6	-19.5	-178.4	28	-35.6	0	0	0	114.1
23	H	80.4	Confident	81.5	Confident	172 Å²	172	115.5 Å²	115.5	80%	0.796	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.3	-5.8	177.1	-64.7	-66.6	0	0	0	113.3	N21	N21-H23 PolarHBondContact O-N 3.34Å; N21-H23 PolarHBondContact OD1-N 3.49Å
24	A	83.3	Confident	82.3	Confident	19 Å²	19	119.5 Å²	119.5	16%	0.157	61%	0.612	C	S	.	*	S	Bend	trans	-69.6	133.9	175.8	0	0	0	0	0	110	N21 K26 V44	N21-A24 HydrophobicContact CB-CB 4.14Å; N21-A24 WeakPolarHBondContact O-CB 3.48Å; N21-A24 PolarHBondContact O-N 2.62Å; A24-K26 PolarHBondContact O-N 3.18Å; A24-V44 HydrophobicContact CB-CG1 4.15Å
25	P	82.3	Confident	82.9	Confident	76 Å²	76	118.2 Å²	118.2	49%	0.494	60%	0.596	S	S	.	*			trans	-62.3	138.9	175.8	26.8	-33.5	0	0	0	109.7	N27 V44	P25-N27 VanDerWaalsContact C-N 3.28Å; P25-N27 PolarHBondContact O-N 3.12Å; P25-V44 HydrophobicContact CG-CG1 4.33Å
26	K	79.9	Confident	83.9	Confident	202 Å²	202	117.5 Å²	117.5	88%	0.878	59%	0.594	S	S	*	*	S	Bend	trans	-61.8	-36	-177.1	-69	-176.1	178.3	-179.7	0	113	A24	A24-K26 PolarHBondContact O-N 3.18Å
27	N	82.9	Confident	84.5	Confident	127 Å²	127	115.8 Å²	115.8	68%	0.679	58%	0.583	S	S	*	*			trans	-143.4	129.3	178.1	-81.1	-27.4	0	0	0	109.4	P25	P25-N27 VanDerWaalsContact C-N 3.28Å; P25-N27 PolarHBondContact O-N 3.12Å
28	L	85.8	Confident	85.4	Confident	67 Å²	67	115.1 Å²	115.1	35%	0.351	57%	0.57	S	S	.	*			trans	-103.8	125.3	170.6	-172	71.2	0	0	0	108.8	P40 V41	L28-P40 WeakPolarHBondContact O-CA 3.11Å; L28-V41 HydrophobicContact CB-CB 4.45Å; L28-V41 HydrophobicContact CD2-CG2 4.24Å; L28-V41 HydrophobicContact CG-CG2 4.46Å; L28-V41 PolarHBondContact O-N 3.02Å
29	V	89	Confident	86.1	Confident	75 Å²	75	114 Å²	114	46%	0.455	56%	0.56	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-119.4	127.2	179.6	-172	0	0	0	0	109	Y38 K39	V29-Y38 HydrophobicContact CG1-CD1 4.14Å; V29-Y38 HydrophobicContact CG1-CG 4.32Å; V29-K39 WeakPolarHBondContact CA-O 3.17Å
30	R	88.9	Confident	86.6	Confident	172 Å²	172	113.4 Å²	113.4	65%	0.649	55%	0.547	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.9	136.7	177.3	-69	-174.4	177.7	172.6	1	109.9	S32 K39 V41	R30-S32 PolarHBondContact O-N 3.09Å; R30-K39 PolarHBondContact N-O 3.38Å; R30-K39 PolarHBondContact O-N 3.08Å; R30-V41 HydrophobicContact CG-CG2 4.41Å
31	Y	92.4	Very high	86.9	Confident	87 Å²	87	111.3 Å²	111.3	34%	0.341	54%	0.537	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	119.6	174.6	-170.8	-103.6	0	0	0	109.8	F33 R36 Y38	Y31-F33 AromaticContact CD1-CD1 3.83Å; Y31-F33 HydrophobicContact CD1-CD1 3.83Å; Y31-F33 HydrophobicContact CD1-CD2 4.16Å; Y31-F33 AromaticContact CD1-CE1 3.83Å; Y31-F33 HydrophobicContact CD1-CE1 3.83Å; Y31-F33 HydrophobicContact CD1-CE2 4.16Å; Y31-F33 AromaticContact CD1-CG 4Å; Y31-F33 HydrophobicContact CD1-CG 4Å; Y31-F33 HydrophobicContact CD1-CZ 4Å; Y31-F33 AromaticContact CE1-CD1 3.75Å; Y31-F33 HydrophobicContact CE1-CD1 3.75Å; Y31-F33 AromaticContact CE1-CE1 3.99Å; Y31-F33 HydrophobicContact CE1-CE1 3.99Å; Y31-F33 HydrophobicContact CE1-CG 4.19Å; Y31-F33 PolarHBondContact O-N 3.03Å; Y31-R36 WeakPolarHBondContact CE2-O 3.31Å; Y31-R36 WeakPolarHBondContact OH-CA 3.29Å; Y31-R36 WeakPolarHBondContact OH-CB 3.01Å; Y31-R36 PolarHBondContact OH-O 3.24Å; Y31-Y38 AromaticContact CD2-CD1 3.92Å; Y31-Y38 HydrophobicContact CD2-CD1 3.92Å; Y31-Y38 AromaticContact CD2-CD2 3.85Å; Y31-Y38 HydrophobicContact CD2-CD2 3.85Å; Y31-Y38 AromaticContact CD2-CE1 3.81Å; Y31-Y38 HydrophobicContact CD2-CE1 3.81Å; Y31-Y38 AromaticContact CD2-CE2 3.73Å; Y31-Y38 HydrophobicContact CD2-CE2 3.73Å; Y31-Y38 AromaticContact CD2-CG 3.94Å; Y31-Y38 HydrophobicContact CD2-CG 3.94Å; Y31-Y38 AromaticContact CD2-CZ 3.7Å; Y31-Y38 HydrophobicContact CE2-CD2 4.33Å; Y31-Y38 HydrophobicContact CE2-CE2 4.16Å; Y31-Y38 HydrophobicContact CG-CD1 4.43Å; Y31-Y38 HydrophobicContact CG-CE1 4.19Å
32	S	91.2	Very high	86.8	Confident	31 Å²	31	116.5 Å²	116.5	22%	0.217	57%	0.571	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-84.5	109.5	171.6	177.2	0	0	0	0	109	R30 K34 E35 R36 V37	R30-S32 PolarHBondContact O-N 3.09Å; S32-K34 PolarHBondContact O-N 3.24Å; S32-E35 PolarHBondContact O-N 3.05Å; S32-E35 PolarHBondContact OG-N 3.48Å; S32-R36 VanDerWaalsContact O-CA 3.23Å; S32-R36 WeakPolarHBondContact O-CA 3.48Å; S32-R36 PolarHBondContact O-N 3.4Å; S32-V37 PolarHBondContact N-O 2.88Å
33	F	91.1	Very high	86.8	Confident	173 Å²	173	114.5 Å²	114.5	76%	0.759	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66	-26.2	177.1	-70.7	-85.1	0	0	0	113.1	Y31	Y31-F33 AromaticContact CD1-CD1 3.83Å; Y31-F33 HydrophobicContact CD1-CD1 3.83Å; Y31-F33 HydrophobicContact CD1-CD2 4.16Å; Y31-F33 AromaticContact CD1-CE1 3.83Å; Y31-F33 HydrophobicContact CD1-CE1 3.83Å; Y31-F33 HydrophobicContact CD1-CE2 4.16Å; Y31-F33 AromaticContact CD1-CG 4Å; Y31-F33 HydrophobicContact CD1-CG 4Å; Y31-F33 HydrophobicContact CD1-CZ 4Å; Y31-F33 AromaticContact CE1-CD1 3.75Å; Y31-F33 HydrophobicContact CE1-CD1 3.75Å; Y31-F33 AromaticContact CE1-CE1 3.99Å; Y31-F33 HydrophobicContact CE1-CE1 3.99Å; Y31-F33 HydrophobicContact CE1-CG 4.19Å; Y31-F33 PolarHBondContact O-N 3.03Å
34	K	92.2	Very high	86.9	Confident	201 Å²	201	107.9 Å²	107.9	87%	0.874	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-42.2	177	-173.1	175.8	-179.5	177.9	0	111.9	S32	S32-K34 PolarHBondContact O-N 3.24Å
35	E	91.1	Very high	86.8	Confident	106 Å²	106	114 Å²	114	50%	0.495	57%	0.566	S	S	.	*	T	Hydrogen-bonded Turn	trans	-100.8	-4.3	-176.8	-66	-179.9	-133.2	0	0	113.4	S32 V37 K39	S32-E35 PolarHBondContact O-N 3.05Å; S32-E35 PolarHBondContact OG-N 3.48Å; E35-V37 WeakPolarHBondContact O-CG2 3.23Å; E35-V37 PolarHBondContact O-N 3.2Å; E35-V37 VanDerWaalsContact O-N 3.16Å; E35-K39 VanDerWaalsContact CD-CE 3.48Å; E35-K39 IonicContact OE1-NZ 3.41Å; E35-K39 PolarHBondContact OE1-NZ 2.6Å; E35-K39 WeakPolarHBondContact OE2-CE 3.37Å; E35-K39 IonicContact OE2-NZ 3.62Å; E35-K39 PolarHBondContact OE2-NZ 2.85Å
36	R	89.3	Confident	86.8	Confident	198 Å²	198	114.2 Å²	114.2	75%	0.747	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	54.7	26	-178.5	-60.7	-176.2	-179.4	-179.5	1	115	Y31 S32	Y31-R36 WeakPolarHBondContact CE2-O 3.31Å; Y31-R36 WeakPolarHBondContact OH-CA 3.29Å; Y31-R36 WeakPolarHBondContact OH-CB 3.01Å; Y31-R36 PolarHBondContact OH-O 3.24Å; S32-R36 VanDerWaalsContact O-CA 3.23Å; S32-R36 WeakPolarHBondContact O-CA 3.48Å; S32-R36 PolarHBondContact O-N 3.4Å
37	V	90.9	Very high	87	Confident	81 Å²	81	111.1 Å²	111.1	49%	0.491	55%	0.553	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-126.5	144.9	-177.5	173.6	0	0	0	0	110.2	S32 E35 K39	S32-V37 PolarHBondContact N-O 2.88Å; E35-V37 WeakPolarHBondContact O-CG2 3.23Å; E35-V37 PolarHBondContact O-N 3.2Å; E35-V37 VanDerWaalsContact O-N 3.16Å; V37-K39 PolarHBondContact O-N 3.14Å
38	Y	92.1	Very high	86.9	Confident	161 Å²	161	107.7 Å²	107.7	63%	0.631	54%	0.542	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.1	112.5	168.9	-76.2	-76.1	0	0	0	109.8	V29 Y31	V29-Y38 HydrophobicContact CG1-CD1 4.14Å; V29-Y38 HydrophobicContact CG1-CG 4.32Å; Y31-Y38 AromaticContact CD2-CD1 3.92Å; Y31-Y38 HydrophobicContact CD2-CD1 3.92Å; Y31-Y38 AromaticContact CD2-CD2 3.85Å; Y31-Y38 HydrophobicContact CD2-CD2 3.85Å; Y31-Y38 AromaticContact CD2-CE1 3.81Å; Y31-Y38 HydrophobicContact CD2-CE1 3.81Å; Y31-Y38 AromaticContact CD2-CE2 3.73Å; Y31-Y38 HydrophobicContact CD2-CE2 3.73Å; Y31-Y38 AromaticContact CD2-CG 3.94Å; Y31-Y38 HydrophobicContact CD2-CG 3.94Å; Y31-Y38 AromaticContact CD2-CZ 3.7Å; Y31-Y38 HydrophobicContact CE2-CD2 4.33Å; Y31-Y38 HydrophobicContact CE2-CE2 4.16Å; Y31-Y38 HydrophobicContact CG-CD1 4.43Å; Y31-Y38 HydrophobicContact CG-CE1 4.19Å
39	K	89.3	Confident	86.9	Confident	87 Å²	87	109 Å²	109	38%	0.378	55%	0.552	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-104.6	130.9	179.3	-74	-168.4	168.3	-172.5	0	111.5	V29 R30 E35 V37	V29-K39 WeakPolarHBondContact CA-O 3.17Å; R30-K39 PolarHBondContact N-O 3.38Å; R30-K39 PolarHBondContact O-N 3.08Å; E35-K39 VanDerWaalsContact CD-CE 3.48Å; E35-K39 IonicContact OE1-NZ 3.41Å; E35-K39 PolarHBondContact OE1-NZ 2.6Å; E35-K39 WeakPolarHBondContact OE2-CE 3.37Å; E35-K39 IonicContact OE2-NZ 3.62Å; E35-K39 PolarHBondContact OE2-NZ 2.85Å; V37-K39 PolarHBondContact O-N 3.14Å
40	P	87.6	Confident	86.7	Confident	91 Å²	91	114.2 Å²	114.2	59%	0.591	57%	0.571	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-72.7	139.4	172.4	30.5	-32.7	0	0	0	110.4	L28	L28-P40 WeakPolarHBondContact O-CA 3.11Å
41	V	84.4	Confident	86.7	Confident	55 Å²	55	113.8 Å²	113.8	33%	0.333	57%	0.574	S	S	.	*			trans	-81.4	127.7	170.1	-176.2	0	0	0	0	107.8	L28 R30 A43	L28-V41 HydrophobicContact CB-CB 4.45Å; L28-V41 HydrophobicContact CD2-CG2 4.24Å; L28-V41 HydrophobicContact CG-CG2 4.46Å; L28-V41 PolarHBondContact O-N 3.02Å; R30-V41 HydrophobicContact CG-CG2 4.41Å; V41-A43 WeakPolarHBondContact CG1-O 2.96Å; V41-A43 PolarHBondContact O-N 3.05Å
42	T	78.6	Confident	86.6	Confident	148 Å²	148	113.5 Å²	113.5	91%	0.908	59%	0.59	S	S	*	*	S	Bend	trans	-70.9	-27.3	-168.2	45.9	0	0	0	0	114.4
43	A	80.3	Confident	86.5	Confident	75 Å²	75	118.7 Å²	118.7	62%	0.62	62%	0.615	S	S	*	*			trans	-131.6	131.4	176.7	0	0	0	0	0	109.6	V41	V41-A43 WeakPolarHBondContact CG1-O 2.96Å; V41-A43 PolarHBondContact O-N 3.05Å
44	V	81.8	Confident	86.4	Confident	33 Å²	33	119.2 Å²	119.2	20%	0.2	62%	0.62	C	S	.	*			trans	-98.2	129.7	173.4	-179.8	0	0	0	0	107.6	A24 P25 H46	A24-V44 HydrophobicContact CB-CG1 4.15Å; P25-V44 HydrophobicContact CG-CG1 4.33Å; V44-H46 PolarHBondContact O-CD2 3.46Å; V44-H46 PolarHBondContact O-N 3.04Å; V44-H46 PolarHBondContact O-NE2 3.17Å
45	D	81.7	Confident	85.9	Confident	148 Å²	148	113 Å²	113	79%	0.791	61%	0.612	S	S	*	*			trans	-66.6	126.4	175.3	-93.1	-28.1	0	0	0	110.4
46	H	82.9	Confident	85.5	Confident	80 Å²	80	115.6 Å²	115.6	37%	0.37	63%	0.629	S	S	.	*			trans	-98.2	2.8	178.6	-67.9	-71.6	0	0	0	112.9	N21 V44 A48	N21-H46 HydrophobicContact CB-CB 4.01Å; N21-H46 WeakPolarHBondContact CB-O 3.44Å; N21-H46 PolarHBondContact N-ND1 2.92Å; V44-H46 PolarHBondContact O-CD2 3.46Å; V44-H46 PolarHBondContact O-N 3.04Å; V44-H46 PolarHBondContact O-NE2 3.17Å; H46-A48 PolarHBondContact O-N 3.18Å
47	L	83.6	Confident	85.2	Confident	138 Å²	138	114.4 Å²	114.4	72%	0.723	64%	0.637	S	S	*	*			trans	-69.4	117.8	175.3	-176.7	69.2	0	0	0	110.2	V49	L47-V49 HydrophobicContact CD2-CG2 3.81Å; L47-V49 HydrophobicContact CG-CG2 3.98Å; L47-V49 PolarHBondContact O-N 3.21Å
48	A	81	Confident	84.7	Confident	55 Å²	55	114.3 Å²	114.3	46%	0.455	63%	0.633	S	S	.	*			trans	-81.6	107.1	170.7	0	0	0	0	0	109.5	H46	H46-A48 PolarHBondContact O-N 3.18Å
49	V	85.6	Confident	84.2	Confident	94 Å²	94	112.8 Å²	112.8	57%	0.57	63%	0.632	S	S	*	*			trans	-95.9	108.5	173.1	-177.8	0	0	0	0	108.3	L47 A52	L47-V49 HydrophobicContact CD2-CG2 3.81Å; L47-V49 HydrophobicContact CG-CG2 3.98Å; L47-V49 PolarHBondContact O-N 3.21Å; V49-A52 HydrophobicContact CG1-CB 3.92Å
50	H	84.6	Confident	83.5	Confident	184 Å²	184	117.8 Å²	117.8	85%	0.852	65%	0.653	S	S	*	*	S	Bend	trans	-86.6	-33.3	177	-72.7	-79.3	0	0	0	112.8
51	F	89.1	Confident	82.8	Confident	163 Å²	163	120.2 Å²	120.2	72%	0.715	66%	0.657	S	S	*	*			trans	-145.3	128	179	-178.2	-104.9	0	0	0	109.4	L53	F51-L53 HydrophobicContact CE1-CB 3.73Å; F51-L53 HydrophobicContact CZ-CB 3.8Å; F51-L53 HydrophobicContact CZ-CD1 4.39Å; F51-L53 HydrophobicContact CZ-CD2 4.41Å; F51-L53 HydrophobicContact CZ-CG 4.43Å
52	A	90.4	Very high	82.7	Confident	82 Å²	82	119.8 Å²	119.8	68%	0.678	66%	0.657	S	S	*	*			trans	-131.3	131.2	170.9	0	0	0	0	0	107.7	V49	V49-A52 HydrophobicContact CG1-CB 3.92Å
53	L	89	Confident	82.7	Confident	140 Å²	140	117 Å²	117	73%	0.733	64%	0.636	S	S	*	*			trans	-127.7	115	176.9	-175.9	72.6	0	0	0	108.2	F51	F51-L53 HydrophobicContact CE1-CB 3.73Å; F51-L53 HydrophobicContact CZ-CB 3.8Å; F51-L53 HydrophobicContact CZ-CD1 4.39Å; F51-L53 HydrophobicContact CZ-CD2 4.41Å; F51-L53 HydrophobicContact CZ-CG 4.43Å
54	E	88.4	Confident	82.6	Confident	184 Å²	184	119.1 Å²	119.1	86%	0.86	63%	0.633	S	S	*	*			trans	-76.2	125.3	171.3	-68.4	-177.1	171.9	0	0	109.3
55	G	82.8	Confident	82.5	Confident	69 Å²	69	118 Å²	118	71%	0.711	63%	0.627	S	S	*	*			trans	-95.3	137.7	-176.8	0	0	0	0	0	112.6
56	N	82.4	Confident	82.1	Confident	161 Å²	161	117.1 Å²	117.1	86%	0.861	61%	0.613	S	S	*	*			trans	-102.9	12.2	178	-63.8	-16.3	0	0	0	113.3
57	L	83.4	Confident	81.8	Confident	174 Å²	174	121.5 Å²	121.5	91%	0.911	63%	0.626	S	S	*	*			trans	-91.4	121.3	-179.5	-73.3	162.5	0	0	0	110.2
58	L	79.7	Confident	81.4	Confident	78 Å²	78	119.2 Å²	119.2	41%	0.408	61%	0.614	S	S	.	*			trans	-105.9	131.1	176.6	-63.1	170.3	0	0	0	110.3	E64 A65 L68	L58-E64 HydrophobicContact CD1-CB 4.49Å; L58-E64 HydrophobicContact CD1-CG 4.18Å; L58-E64 HydrophobicContact CD2-CB 4.38Å; L58-E64 HydrophobicContact CD2-CG 4.45Å; L58-E64 WeakPolarHBondContact CD2-OE2 3.04Å; L58-A65 HydrophobicContact CB-CB 4.07Å; L58-L68 HydrophobicContact CD1-CD1 3.57Å
59	H	80.8	Confident	80.9	Confident	130 Å²	130	120.5 Å²	120.5	60%	0.602	62%	0.617	S	S	*	*			trans	-66.7	135.7	174	-167.5	-101.7	0	0	0	110	E61 S62 A65	H59-E61 IonicContact CE1-OE2 3.43Å; H59-E61 PolarHBondContact O-N 3.4Å; H59-E61 VanDerWaalsContact O-N 3.09Å; H59-S62 WeakPolarHBondContact O-CB 2.87Å; H59-S62 PolarHBondContact O-N 3.14Å; H59-A65 VanDerWaalsContact O-CB 3.28Å; H59-A65 WeakPolarHBondContact O-CB 3.27Å
60	K	74.8	Confident	80.1	Confident	191 Å²	191	120.1 Å²	120.1	83%	0.83	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.5	-29.9	-174.1	-69.2	-176.4	-179.8	179.8	0	113.8	S62	K60-S62 VanDerWaalsContact C-N 3.32Å
61	E	74.8	Confident	79.1	Confident	143 Å²	143	119.4 Å²	119.4	67%	0.668	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84	-7.8	179.2	-60	178.7	169.8	0	0	113.3	H59 R66	H59-E61 IonicContact CE1-OE2 3.43Å; H59-E61 PolarHBondContact O-N 3.4Å; H59-E61 VanDerWaalsContact O-N 3.09Å; E61-R66 PolarHBondContact O-NH2 3.14Å
62	S	81	Confident	77.9	Confident	46 Å²	46	119.2 Å²	119.2	32%	0.322	61%	0.607	S	S	.	*	S	Bend	trans	-66.1	143.6	177.5	179.1	0	0	0	0	111.4	H59 K60 E64 A65 R66	H59-S62 WeakPolarHBondContact O-CB 2.87Å; H59-S62 PolarHBondContact O-N 3.14Å; K60-S62 VanDerWaalsContact C-N 3.32Å; S62-E64 VanDerWaalsContact C-N 3.25Å; S62-E64 PolarHBondContact O-N 3.35Å; S62-E64 PolarHBondContact OG-N 3.08Å; S62-A65 PolarHBondContact O-N 3.09Å; S62-R66 PolarHBondContact O-N 3.2Å
63	D	78.3	Confident	76.2	Confident	90 Å²	90	119.3 Å²	119.3	48%	0.481	60%	0.595	S	S	.	*	H	α-helix	trans	-61.2	-33.7	176.6	-85.3	-4.3	0	0	0	112.4	R66 R67	D63-R66 PolarHBondContact O-N 3.22Å; D63-R66 IonicContact OD1-CZ 2.96Å; D63-R66 IonicContact OD1-NH1 3.95Å; D63-R66 PolarHBondContact OD1-NH1 3.41Å; D63-R66 IonicContact OD1-NH2 3.15Å; D63-R67 WeakPolarHBondContact O-CB 3.49Å; D63-R67 VanDerWaalsContact O-CG 3.27Å; D63-R67 WeakPolarHBondContact O-CG 3.4Å; D63-R67 PolarHBondContact O-N 3.38Å
64	E	78.4	Confident	74.7	Confident	118 Å²	118	116.5 Å²	116.5	55%	0.551	59%	0.586	S	S	*	*	H	α-helix	trans	-68.5	-40.3	177.4	-164.3	171.7	-161.4	0	0	111.4	L58 S62 R67 L68	L58-E64 HydrophobicContact CD1-CB 4.49Å; L58-E64 HydrophobicContact CD1-CG 4.18Å; L58-E64 HydrophobicContact CD2-CB 4.38Å; L58-E64 HydrophobicContact CD2-CG 4.45Å; L58-E64 WeakPolarHBondContact CD2-OE2 3.04Å; S62-E64 VanDerWaalsContact C-N 3.25Å; S62-E64 PolarHBondContact O-N 3.35Å; S62-E64 PolarHBondContact OG-N 3.08Å; E64-R67 PolarHBondContact O-N 3.06Å; E64-L68 WeakPolarHBondContact O-CG 3.41Å; E64-L68 PolarHBondContact O-N 3.19Å
65	A	79.4	Confident	73.2	Confident	10 Å²	10	113 Å²	113	8%	0.083	58%	0.578	C	S	.	*	H	α-helix	trans	-65.4	-43.5	173	0	0	0	0	0	111.6	L58 H59 S62 R67 L68 T69	L58-A65 HydrophobicContact CB-CB 4.07Å; H59-A65 VanDerWaalsContact O-CB 3.28Å; H59-A65 WeakPolarHBondContact O-CB 3.27Å; S62-A65 PolarHBondContact O-N 3.09Å; A65-R67 PolarHBondContact O-N 3.05Å; A65-L68 PolarHBondContact O-N 3.42Å; A65-T69 WeakPolarHBondContact O-CB 3.35Å; A65-T69 PolarHBondContact O-N 3.03Å; A65-T69 PolarHBondContact O-OG1 3.27Å
66	R	74.1	Confident	71.8	Confident	129 Å²	129	115.6 Å²	115.6	49%	0.487	58%	0.58	S	S	.	*	H	α-helix	trans	-60.3	-43.3	174.2	-80.9	-168.2	-124.9	124.2	7.6	111.8	E61 S62 D63 T69 I70	E61-R66 PolarHBondContact O-NH2 3.14Å; S62-R66 PolarHBondContact O-N 3.2Å; D63-R66 PolarHBondContact O-N 3.22Å; D63-R66 IonicContact OD1-CZ 2.96Å; D63-R66 IonicContact OD1-NH1 3.95Å; D63-R66 PolarHBondContact OD1-NH1 3.41Å; D63-R66 IonicContact OD1-NH2 3.15Å; R66-T69 PolarHBondContact O-N 2.99Å; R66-I70 WeakPolarHBondContact O-CB 2.83Å; R66-I70 WeakPolarHBondContact O-CD1 3.48Å; R66-I70 WeakPolarHBondContact O-CG1 3.45Å; R66-I70 PolarHBondContact O-N 3.34Å
67	R	77.2	Confident	70.2	Confident	173 Å²	173	113.7 Å²	113.7	65%	0.653	57%	0.566	S	S	*	*	H	α-helix	trans	-62.4	-42.6	177.8	-76	175.2	-174.3	169.7	4.9	112.3	D63 E64 A65 I70 F71	D63-R67 WeakPolarHBondContact O-CB 3.49Å; D63-R67 VanDerWaalsContact O-CG 3.27Å; D63-R67 WeakPolarHBondContact O-CG 3.4Å; D63-R67 PolarHBondContact O-N 3.38Å; E64-R67 PolarHBondContact O-N 3.06Å; A65-R67 PolarHBondContact O-N 3.05Å; R67-I70 PolarHBondContact O-N 3.47Å; R67-F71 PolarHBondContact O-N 3.46Å
68	L	74.6	Confident	68.7	Low	89 Å²	89	108.9 Å²	108.9	47%	0.466	54%	0.536	S	S	.	.	H	α-helix	trans	-65.9	-39.8	174.9	-73.5	169.7	0	0	0	112.2	L58 E64 A65 F71 Q72	L58-L68 HydrophobicContact CD1-CD1 3.57Å; E64-L68 WeakPolarHBondContact O-CG 3.41Å; E64-L68 PolarHBondContact O-N 3.19Å; A65-L68 PolarHBondContact O-N 3.42Å; L68-F71 PolarHBondContact O-N 3.27Å; L68-Q72 WeakPolarHBondContact O-CG 3.38Å; L68-Q72 PolarHBondContact O-N 2.89Å; L68-Q72 VanDerWaalsContact O-N 3.11Å
69	T	71.1	Confident	67.3	Low	83 Å²	83	113.1 Å²	113.1	51%	0.509	55%	0.552	S	S	.	*	H	α-helix	trans	-65.5	-40.5	177.1	-45.2	0	0	0	0	111	A65 R66 Q72 L73	A65-T69 WeakPolarHBondContact O-CB 3.35Å; A65-T69 PolarHBondContact O-N 3.03Å; A65-T69 PolarHBondContact O-OG1 3.27Å; R66-T69 PolarHBondContact O-N 2.99Å; T69-Q72 PolarHBondContact O-N 2.86Å; T69-L73 PolarHBondContact O-N 2.87Å
70	I	67.5	Low	65.6	Low	85 Å²	85	111.6 Å²	111.6	44%	0.436	55%	0.551	S	S	.	*	H	α-helix	trans	-60.9	-46.8	172.8	-69.1	162.9	0	0	0	109.7	R66 R67 Q72 L73 Y78	R66-I70 WeakPolarHBondContact O-CB 2.83Å; R66-I70 WeakPolarHBondContact O-CD1 3.48Å; R66-I70 WeakPolarHBondContact O-CG1 3.45Å; R66-I70 PolarHBondContact O-N 3.34Å; R67-I70 PolarHBondContact O-N 3.47Å; I70-Q72 PolarHBondContact O-N 2.87Å; I70-Q72 VanDerWaalsContact O-N 3.13Å; I70-L73 PolarHBondContact O-N 3.36Å; I70-Y78 VanDerWaalsContact C-OH 3.25Å; I70-Y78 HydrophobicContact CG2-CE1 3.83Å; I70-Y78 HydrophobicContact CG2-CE2 4.4Å; I70-Y78 WeakPolarHBondContact CG2-OH 3.45Å; I70-Y78 WeakPolarHBondContact O-CE2 3.3Å; I70-Y78 VanDerWaalsContact O-CZ 3.23Å; I70-Y78 PolarHBondContact O-OH 2.86Å; I70-Y78 VanDerWaalsContact O-OH 3.1Å
71	F	63.5	Low	64.3	Low	169 Å²	169	110 Å²	110	74%	0.741	55%	0.545	S	S	*	.	H	α-helix	trans	-61.1	-17.6	176.2	-104.8	-84.2	0	0	0	115.6	R67 L68 Y78	R67-F71 PolarHBondContact O-N 3.46Å; L68-F71 PolarHBondContact O-N 3.27Å; F71-Y78 WeakPolarHBondContact CA-OH 3.26Å; F71-Y78 PolarHBondContact N-OH 2.86Å
72	Q	63.9	Low	63.1	Low	160 Å²	160	107.3 Å²	107.3	75%	0.748	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97	-5.3	179	-73.6	-179.6	-0.8	0	0	114.3	L68 T69 I70	L68-Q72 WeakPolarHBondContact O-CG 3.38Å; L68-Q72 PolarHBondContact O-N 2.89Å; L68-Q72 VanDerWaalsContact O-N 3.11Å; T69-Q72 PolarHBondContact O-N 2.86Å; I70-Q72 PolarHBondContact O-N 2.87Å; I70-Q72 VanDerWaalsContact O-N 3.13Å
73	L	55	Low	61.6	Low	83 Å²	83	111.6 Å²	111.6	44%	0.435	56%	0.559	S	S	.	*	S	Bend	trans	-77.2	140.7	175.8	-76	163.6	0	0	0	111.9	T69 I70	T69-L73 PolarHBondContact O-N 2.87Å; I70-L73 PolarHBondContact O-N 3.36Å
74	P	56.9	Low	59.9	Low	82 Å²	82	115.6 Å²	115.6	53%	0.532	58%	0.575	S	S	.	*			trans	-63.6	153.3	-179.1	22.7	-30.3	0	0	0	112.8	V76 E77	P74-V76 PolarHBondContact O-N 2.96Å; P74-E77 PolarHBondContact O-N 2.79Å
75	P	57.7	Low	58.1	Low	109 Å²	109	113.4 Å²	113.4	71%	0.708	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.2	-9.4	-159.3	-20.1	31.6	0	0	0	116.2
76	V	53	Low	55.8	Low	124 Å²	124	118.9 Å²	118.9	75%	0.752	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.1	-29	-171.6	-170	0	0	0	0	111.9	P74	P74-V76 PolarHBondContact O-N 2.96Å
77	E	49.4	Very low	54	Low	122 Å²	122	118.2 Å²	118.2	57%	0.57	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.3	-13.2	177.1	-70.4	-177.2	165.4	0	0	113.4	P74 K79 T80 F81	P74-E77 PolarHBondContact O-N 2.79Å; E77-K79 PolarHBondContact O-N 2.9Å; E77-T80 PolarHBondContact O-N 2.91Å; E77-F81 PolarHBondContact O-N 2.76Å
78	Y	52	Low	52	Low	72 Å²	72	119.8 Å²	119.8	28%	0.282	63%	0.629	S	S	.	*	H	α-helix	trans	-61.3	-27.1	177.2	-118.3	-80.7	0	0	0	114	I70 F71 C82	I70-Y78 VanDerWaalsContact C-OH 3.25Å; I70-Y78 HydrophobicContact CG2-CE1 3.83Å; I70-Y78 HydrophobicContact CG2-CE2 4.4Å; I70-Y78 WeakPolarHBondContact CG2-OH 3.45Å; I70-Y78 WeakPolarHBondContact O-CE2 3.3Å; I70-Y78 VanDerWaalsContact O-CZ 3.23Å; I70-Y78 PolarHBondContact O-OH 2.86Å; I70-Y78 VanDerWaalsContact O-OH 3.1Å; F71-Y78 WeakPolarHBondContact CA-OH 3.26Å; F71-Y78 PolarHBondContact N-OH 2.86Å; Y78-C82 PolarHBondContact O-SG 3.23Å; Y78-C82 VanDerWaalsContact O-SG 3.32Å
79	K	49.6	Very low	49.9	Very low	167 Å²	167	126.5 Å²	126.5	73%	0.726	65%	0.648	S	S	*	*	H	α-helix	trans	-88.4	-27.1	180	-79.3	-179	176.3	176	0	113.3	E77	E77-K79 PolarHBondContact O-N 2.9Å
80	T	46.3	Very low	47.8	Very low	98 Å²	98	125.9 Å²	125.9	60%	0.601	66%	0.658	S	S	*	*	H	α-helix	trans	-81.2	-28.8	-176.9	-14.8	0	0	0	0	111.9	E77	E77-T80 PolarHBondContact O-N 2.91Å
81	F	47.5	Very low	46	Very low	159 Å²	159	128.4 Å²	128.4	70%	0.697	67%	0.672	S	S	*	*	H	α-helix	trans	-80.1	-34.3	175.4	-135.5	-94	0	0	0	113.1	E77 I83 Q84 S85	E77-F81 PolarHBondContact O-N 2.76Å; F81-I83 PolarHBondContact O-N 3.37Å; F81-Q84 PolarHBondContact O-N 3.42Å; F81-S85 PolarHBondContact O-N 2.79Å
82	C	49.3	Very low	44.3	Very low	85 Å²	85	125.8 Å²	125.8	57%	0.574	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.1	-12.2	179.8	-75.8	0	0	0	0	114.7	Y78	Y78-C82 PolarHBondContact O-SG 3.23Å; Y78-C82 VanDerWaalsContact O-SG 3.32Å
83	I	49	Very low	42.7	Very low	137 Å²	137	123.6 Å²	123.6	70%	0.703	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.6	-22.6	176.7	-62.5	170.9	0	0	0	111.7	F81	F81-I83 PolarHBondContact O-N 3.37Å
84	Q	43.1	Very low	41.5	Very low	174 Å²	174	125.7 Å²	125.7	81%	0.813	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.2	-11.1	-180	-71.2	-172.2	-11	0	0	114.5	F81	F81-Q84 PolarHBondContact O-N 3.42Å
85	S	40.5	Very low	40.3	Very low	71 Å²	71	128.3 Å²	128.3	50%	0.497	70%	0.701	S	S	.	*			trans	-119.4	66.3	175.2	67.8	0	0	0	0	111.5	F81 P87	F81-S85 PolarHBondContact O-N 2.79Å; S85-P87 WeakPolarHBondContact O-CD 3.42Å
86	T	30.8	Very low	39	Very low	126 Å²	126	131.6 Å²	131.6	77%	0.773	71%	0.707	S	S	*	*			trans	-91.8	107.5	149.9	44	0	0	0	0	108.7
87	P	36.7	Very low	37.7	Very low	115 Å²	115	133.8 Å²	133.8	75%	0.747	71%	0.714	S	S	*	*			trans	-94	133.4	141.1	16.9	-2	0	0	0	108.5	S85 R89	S85-P87 WeakPolarHBondContact O-CD 3.42Å; P87-R89 PolarHBondContact O-N 2.7Å
88	K	34.1	Very low	36.7	Very low	205 Å²	205	131 Å²	131	89%	0.891	72%	0.719	S	S	*	*			trans	-48.5	127.3	-179.6	-70.4	168.4	174.3	175.4	0	111.6	G90	K88-G90 PolarHBondContact O-N 2.63Å
89	R	30.5	Very low	35.5	Very low	231 Å²	231	130.9 Å²	130.9	87%	0.872	74%	0.739	S	S	*	*			trans	-53.9	112.2	150.7	-159.9	177.8	-164.5	-177.9	2.7	107.3	P87	P87-R89 PolarHBondContact O-N 2.7Å
90	G	28.3	Very low	34.6	Very low	70 Å²	70	132.4 Å²	132.4	72%	0.722	75%	0.749	S	S	*	*			trans	-73.3	116.1	147.6	0	0	0	0	0	107	K88	K88-G90 PolarHBondContact O-N 2.63Å
91	D	28.1	Very low	33.6	Very low	137 Å²	137	133 Å²	133	73%	0.733	76%	0.757	S	S	*	*			trans	-36.1	143.3	155	-76.8	-35.1	0	0	0	111.3
92	T	29	Very low	32.8	Very low	114 Å²	114	135 Å²	135	70%	0.699	77%	0.769	S	S	*	*			cis	-170.6	138.3	47.5	20.7	0	0	0	0	110.9
93	T	30.8	Very low	31.8	Very low	114 Å²	114	138.4 Å²	138.4	70%	0.699	78%	0.776	S	S	*	*			trans	68	115.6	137.7	62.1	0	0	0	0	122.5
94	P	28.8	Very low	30.8	Very low	128 Å²	128	137.9 Å²	137.9	83%	0.831	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-83.4	126.5	144.5	16.3	1.4	0	0	0	110.1
95	V	32.3	Very low	30.1	Very low	137 Å²	137	133.4 Å²	133.4	83%	0.83	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-83.3	138	166	174.5	0	0	0	0	108.8
96	E	30.1	Very low	29.5	Very low	177 Å²	177	137.4 Å²	137.4	83%	0.827	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-57.1	139.3	-175.9	-63.6	168	146.6	0	0	113.6
97	D	26.6	Very low	29.6	Very low	170 Å²	170	139.2 Å²	139.2	91%	0.909	80%	0.796	S	S	*	*			trans	-85.8	108.6	151	-155.6	11.4	0	0	0	106.1
98	G	28.5	Very low	29.4	Very low	65 Å²	65	140 Å²	140	67%	0.67	79%	0.793	S	S	*	*			trans	-84.3	125.9	175.6	0	0	0	0	0	109.4
99	G	26.4	Very low	29.3	Very low	69 Å²	69	138.1 Å²	138.1	71%	0.711	79%	0.785	S	S	*	*			trans	-68	174.3	-175.6	0	0	0	0	0	114.7
100	E	29.3	Very low	29.7	Very low	198 Å²	198	133.1 Å²	133.1	93%	0.925	78%	0.783	S	S	*	*				-176.4	117.3	98	-93.1	173.9	-179.3	0	0	108.8
101	S	26.8	Very low	29.8	Very low	112 Å²	112	140.7 Å²	140.7	78%	0.783	79%	0.79	S	S	*	*			trans	-99.4	114.6	159.3	50.1	0	0	0	0	106.8	E103	S101-E103 PolarHBondContact O-N 2.81Å
102	E	29.8	Very low	29.9	Very low	199 Å²	199	139.8 Å²	139.8	93%	0.93	79%	0.794	S	S	*	*			trans	-69.8	114.6	162.4	-74.3	-173.3	154.6	0	0	108.5
103	E	28.5	Very low	30.1	Very low	158 Å²	158	138.7 Å²	138.7	74%	0.738	80%	0.796	S	S	*	*			trans	-105	132.6	167.2	-106.7	-165.4	168.8	0	0	109.2	S101	S101-E103 PolarHBondContact O-N 2.81Å
104	T	28.1	Very low	30.1	Very low	126 Å²	126	138.2 Å²	138.2	77%	0.773	80%	0.797	S	S	*	*			trans	72.3	139.8	137.7	63.5	0	0	0	0	117.1
105	G	29.1	Very low	30.2	Very low	79 Å²	79	136.9 Å²	136.9	81%	0.814	79%	0.791	S	S	*	*			cis	116.9	123.7	41.1	0	0	0	0	0	106.7
106	D	27.3	Very low	30.4	Very low	156 Å²	156	139.7 Å²	139.7	83%	0.834	79%	0.792	S	S	*	*			trans	-88.7	164.3	-167.9	-153.8	-4.8	0	0	0	113.2
107	E	32.3	Very low	30.7	Very low	164 Å²	164	143.7 Å²	143.7	77%	0.766	80%	0.8	S	S	*	*			trans	98.7	97.1	159.6	-57	-166.1	166.7	0	0	121.2
108	D	32.6	Very low	31.2	Very low	131 Å²	131	146.6 Å²	146.6	70%	0.701	80%	0.798	S	S	*	*				71.6	99.1	126.7	-90	-26.3	0	0	0	123.8
109	K	32.2	Very low	31.8	Very low	166 Å²	166	153.7 Å²	153.7	72%	0.722	81%	0.81	S	S	*	*				53.5	154.6	121.1	-83.5	179.2	-170.1	147.5	0	122.1
110	P	38.4	Very low	32.3	Very low	126 Å²	126	161.2 Å²	161.2	82%	0.818	82%	0.817	S	S	*	*			cis	-131.3	174.7	20.5	31.3	-8.5	0	0	0	117.4
111	R	30.4	Very low	32.9	Very low	229 Å²	229	160.2 Å²	160.2	86%	0.864	81%	0.813	S	S	*	*			trans	-62.4	141.3	-172.5	-64.2	167.3	168.1	173.6	-4.9	115.4
112	S	31.5	Very low	33.8	Very low	118 Å²	118	159.7 Å²	159.7	83%	0.825	82%	0.815	S	S	*	*				-171.9	122.5	124	51	0	0	0	0	113.9
113	A	32.1	Very low	34.6	Very low	90 Å²	90	158.2 Å²	158.2	74%	0.744	81%	0.805	S	S	*	*			trans	42.3	116.5	143.6	0	0	0	0	0	123.4
114	S	31.4	Very low	35.6	Very low	104 Å²	104	158.8 Å²	158.8	73%	0.727	81%	0.812	S	S	*	*				81.6	101.8	126.7	72.2	0	0	0	0	120.6
115	S	30.1	Very low	36.5	Very low	100 Å²	100	158 Å²	158	70%	0.699	81%	0.807	S	S	*	*				36	114.8	123.3	65.4	0	0	0	0	119.7
116	K	37.6	Very low	37.5	Very low	196 Å²	196	159.9 Å²	159.9	85%	0.852	80%	0.798	S	S	*	*				177.3	120.6	114.9	-95.2	164.6	-174.8	177.3	0	110.9	R118	K116-R118 PolarHBondContact O-N 3.37Å
117	R	36.3	Very low	39.1	Very low	262 Å²	262	160.1 Å²	160.1	99%	0.989	79%	0.794	S	S	*	*			trans	-52.9	114.8	164.7	-104.3	171.4	156.3	178.6	-5.8	109.4
118	R	36.4	Very low	40.2	Very low	231 Å²	231	160.9 Å²	160.9	87%	0.872	80%	0.796	S	S	*	*			trans	-122	132.3	161.3	-88.3	-176.9	165.4	179.8	-4.3	108.4	K116 R120	K116-R118 PolarHBondContact O-N 3.37Å; R118-R120 PolarHBondContact O-N 2.75Å
119	K	40.2	Very low	41.7	Very low	214 Å²	214	161.5 Å²	161.5	93%	0.93	80%	0.799	S	S	*	*			trans	-43.3	117.5	175.2	-75.2	172.9	172.9	177.3	0	109.4	E121	K119-E121 PolarHBondContact O-N 3.03Å
120	R	37.6	Very low	43.5	Very low	227 Å²	227	163.2 Å²	163.2	86%	0.857	81%	0.806	S	S	*	*			trans	-78.5	105.4	174.2	-80.7	-177.7	171.3	176.5	-1.3	108.2	R118	R118-R120 PolarHBondContact O-N 2.75Å
121	E	42.7	Very low	45.1	Very low	177 Å²	177	161.7 Å²	161.7	83%	0.827	80%	0.799	S	S	*	*			trans	-46.3	138.6	155.9	-68.7	168.3	166.3	0	0	108.9	K119 K123	K119-E121 PolarHBondContact O-N 3.03Å; E121-K123 PolarHBondContact O-N 3.06Å
122	A	45.8	Very low	47.3	Very low	100 Å²	100	160.5 Å²	160.5	83%	0.826	80%	0.803	S	S	*	*			trans	-56.3	106	178.5	0	0	0	0	0	108.9	I124	A122-I124 PolarHBondContact O-N 3.18Å
123	K	45.7	Very low	49.7	Very low	168 Å²	168	165.9 Å²	165.9	73%	0.73	81%	0.805	S	S	*	*			trans	-62.2	112.1	173.1	-79.9	-176.6	173.7	-172.9	0	107.4	E121 T125	E121-K123 PolarHBondContact O-N 3.06Å; K123-T125 PolarHBondContact O-N 3.07Å
124	I	49.1	Very low	52.1	Low	171 Å²	171	166.9 Å²	166.9	88%	0.877	81%	0.813	S	S	*	*			trans	-58.1	104.1	159.9	-65.1	166.4	0	0	0	105.6	A122 N126	A122-I124 PolarHBondContact O-N 3.18Å; I124-N126 PolarHBondContact O-N 3.1Å
125	T	48.3	Very low	54.6	Low	108 Å²	108	165.8 Å²	165.8	66%	0.663	82%	0.819	S	S	*	*			trans	-69.9	123.6	175.5	44.6	0	0	0	0	108.3	K123 Q127	K123-T125 PolarHBondContact O-N 3.07Å; T125-Q127 PolarHBondContact O-N 3.01Å; T125-Q127 VanDerWaalsContact O-N 3.14Å
126	N	50.5	Low	57.2	Low	120 Å²	120	170 Å²	170	64%	0.642	83%	0.827	S	S	*	*			trans	-54	112.1	173.5	-177.1	-0.6	0	0	0	110.1	I124 F128	I124-N126 PolarHBondContact O-N 3.1Å; N126-F128 VanDerWaalsContact C-N 3.3Å; N126-F128 WeakPolarHBondContact OD1-CB 3.43Å; N126-F128 PolarHBondContact OD1-N 2.62Å; N126-F128 VanDerWaalsContact OD1-N 3.14Å
127	Q	59.9	Low	59.5	Low	160 Å²	160	166.2 Å²	166.2	75%	0.748	82%	0.821	S	S	*	*			trans	-86.9	9.1	-178.7	-68.9	-176.4	-10.6	0	0	113.4	T125	T125-Q127 PolarHBondContact O-N 3.01Å; T125-Q127 VanDerWaalsContact O-N 3.14Å
128	F	56	Low	61.7	Low	181 Å²	181	164.7 Å²	164.7	79%	0.794	82%	0.815	S	S	*	*	S	Bend	trans	-104.2	4	-168.9	-93.5	-86.6	0	0	0	117	N126	N126-F128 VanDerWaalsContact C-N 3.3Å; N126-F128 WeakPolarHBondContact OD1-CB 3.43Å; N126-F128 PolarHBondContact OD1-N 2.62Å; N126-F128 VanDerWaalsContact OD1-N 3.14Å
129	N	63.9	Low	64	Low	143 Å²	143	160.5 Å²	160.5	77%	0.765	81%	0.81	S	S	*	*			trans	-128.4	92.8	175.2	-76	-13.9	0	0	0	111.5
130	F	69.1	Low	66.1	Low	202 Å²	202	157.5 Å²	157.5	89%	0.886	80%	0.804	S	S	*	*			trans	-86.2	135.2	162.8	-67	-81.2	0	0	0	109.3
131	S	71.7	Confident	68.4	Low	94 Å²	94	152.7 Å²	152.7	66%	0.657	80%	0.803	S	S	*	*			trans	-113	134.3	168.2	54.9	0	0	0	0	109.5	R133	S131-R133 PolarHBondContact O-N 2.59Å
132	E	78.3	Confident	70.4	Confident	204 Å²	204	150.2 Å²	150.2	95%	0.953	81%	0.805	S	S	*	*			trans	-63.3	131.2	173.9	-76.2	-173	156.1	0	0	109.9
133	R	80.9	Confident	72.2	Confident	231 Å²	231	155 Å²	155	87%	0.872	80%	0.802	S	S	*	*			trans	-126.3	124.6	169.8	-69.8	-172.4	175.6	-174.5	-2.2	107.9	S131	S131-R133 PolarHBondContact O-N 2.59Å
134	A	82.7	Confident	74	Confident	111 Å²	111	155.7 Å²	155.7	92%	0.917	81%	0.807	S	S	*	*			trans	-102.9	139.5	173.5	0	0	0	0	0	110.3
135	G	84.3	Confident	75.6	Confident	81 Å²	81	156.9 Å²	156.9	84%	0.835	80%	0.8	S	S	*	*			trans	-130.2	131.6	167.9	0	0	0	0	0	109.1
136	Q	83.9	Confident	77.3	Confident	188 Å²	188	157.4 Å²	157.4	88%	0.879	81%	0.809	S	S	*	*			trans	-120.9	129.3	178	-170.8	178.8	14.2	0	0	110
137	T	86.2	Confident	78.8	Confident	118 Å²	118	157.3 Å²	157.3	72%	0.724	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-79.2	136.2	171.1	-53.9	0	0	0	0	109	N139	T137-N139 PolarHBondContact O-N 3.22Å
138	R	83.3	Confident	79.8	Confident	230 Å²	230	157.7 Å²	157.7	87%	0.868	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-67.7	123.1	177.6	-68.7	-174.4	176.2	-177	-0.6	110
139	N	83.8	Confident	81.1	Confident	143 Å²	143	155.2 Å²	155.2	77%	0.765	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-99	117.6	173.1	-70.5	-10.2	0	0	0	109.4	T137	T137-N139 PolarHBondContact O-N 3.22Å
140	N	84.7	Confident	82	Confident	151 Å²	151	155.9 Å²	155.9	81%	0.807	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-82.2	134.4	175.8	-68.3	-18.2	0	0	0	110.1
141	P	85.4	Confident	82.8	Confident	126 Å²	126	151.6 Å²	151.6	82%	0.818	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-71.2	138.6	176	29.3	-33.7	0	0	0	110.9
142	S	85.3	Confident	83.7	Confident	125 Å²	125	152.6 Å²	152.6	87%	0.874	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-78.5	138	173.3	54.5	0	0	0	0	111.1
143	R	83.1	Confident	84.2	Confident	201 Å²	201	149.3 Å²	149.3	76%	0.758	81%	0.809	S	S	*	*			trans	-132.4	130.7	173.2	-176.3	177.2	-179.1	175.3	4.5	109.9	R145	R143-R145 VanDerWaalsContact NH1-NH2 3.19Å
144	E	83.9	Confident	84.5	Confident	181 Å²	181	149.8 Å²	149.8	85%	0.846	81%	0.811	S	S	*	*			trans	-98.6	145.3	175.2	-168.1	172.4	-175.5	0	0	110.7
145	R	83.4	Confident	84.9	Confident	196 Å²	196	152.3 Å²	152.3	74%	0.74	81%	0.807	S	S	*	*			trans	-142.3	130.1	171.1	-66	-174.2	-176.6	-175.5	0.9	108.8	R143	R143-R145 VanDerWaalsContact NH1-NH2 3.19Å
146	S	84.1	Confident	85.1	Confident	120 Å²	120	155.4 Å²	155.4	84%	0.839	81%	0.81	S	S	*	*			trans	-119.7	153.7	167.4	58.1	0	0	0	0	109.3
147	C	81.6	Confident	85.5	Confident	118 Å²	118	154.5 Å²	154.5	80%	0.797	80%	0.804	S	S	*	*			trans	-139.8	127	175.4	-173.2	0	0	0	0	108.8
148	Q	79.7	Confident	85.7	Confident	167 Å²	167	154.3 Å²	154.3	78%	0.78	81%	0.808	S	S	*	*			trans	-127.8	118.2	171.6	-179.7	173.8	-2.8	0	0	106.9
149	T	83.5	Confident	86.1	Confident	130 Å²	130	149.3 Å²	149.3	80%	0.798	80%	0.798	S	S	*	*			trans	-93.8	107.1	-179.5	-47.8	0	0	0	0	109
150	E	82.6	Confident	86.5	Confident	157 Å²	157	145.5 Å²	145.5	73%	0.734	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-79.8	130.3	174.7	-65.6	-174	169.1	0	0	110.4
151	P	87.6	Confident	86.8	Confident	111 Å²	111	142.5 Å²	142.5	72%	0.721	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-68	151.1	175.2	28.5	-33.1	0	0	0	110.7
152	P	89.3	Confident	87.3	Confident	115 Å²	115	139.6 Å²	139.6	75%	0.747	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-61	140.5	178.2	25.1	-33.2	0	0	0	110.8	R154	P152-R154 PolarHBondContact O-N 3.26Å
153	P	88.6	Confident	87.8	Confident	135 Å²	135	141.9 Å²	141.9	88%	0.877	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-64.6	133.2	-178.5	26.7	-33.7	0	0	0	110.2
154	R	88.3	Confident	88.3	Confident	241 Å²	241	139.9 Å²	139.9	91%	0.909	75%	0.746	S	S	*	*			trans	-114.7	134.9	176	62.2	-179.5	-178.6	170.6	0.3	110.3	P152	P152-R154 PolarHBondContact O-N 3.26Å
155	I	90.3	Very high	88.8	Confident	164 Å²	164	133.6 Å²	133.6	84%	0.841	72%	0.716	S	S	*	*			trans	-124.4	140.3	171.6	-90	170.4	0	0	0	108.6
156	T	89	Confident	89.3	Confident	146 Å²	146	128.7 Å²	128.7	90%	0.896	70%	0.704	S	S	*	*			trans	-96.1	123.5	169.4	47.4	0	0	0	0	108.9
157	F	91.4	Very high	89.9	Confident	170 Å²	170	129.9 Å²	129.9	75%	0.746	69%	0.691	S	S	*	*			trans	-115.6	137.1	173.7	173.5	-99.6	0	0	0	109.3	D159	F157-D159 HydrophobicContact CE1-CB 3.7Å; F157-D159 HydrophobicContact CE2-CB 4.26Å; F157-D159 HydrophobicContact CZ-CB 3.44Å; F157-D159 VanDerWaalsContact CZ-CB 3.44Å
158	S	91.4	Very high	90.6	Very high	114 Å²	114	128.4 Å²	128.4	80%	0.797	68%	0.675	S	S	*	*			trans	-141.8	134.4	173.5	57.9	0	0	0	0	108.8
159	D	90.6	Very high	91.2	Very high	125 Å²	125	123.1 Å²	123.1	67%	0.668	66%	0.66	S	S	*	*			trans	-147.6	155.4	179.8	-157.5	2.7	0	0	0	109.6	F157	F157-D159 HydrophobicContact CE1-CB 3.7Å; F157-D159 HydrophobicContact CE2-CB 4.26Å; F157-D159 HydrophobicContact CZ-CB 3.44Å; F157-D159 VanDerWaalsContact CZ-CB 3.44Å
160	S	91.9	Very high	91.7	Very high	62 Å²	62	124.1 Å²	124.1	43%	0.434	65%	0.65	S	S	.	*			trans	-89.5	149.7	170	43.7	0	0	0	0	110.3	E165	S160-E165 PolarHBondContact OG-OE1 2.66Å
161	A	92.3	Very high	92.3	Very high	89 Å²	89	119.7 Å²	119.7	74%	0.736	63%	0.631	S	S	*	*			trans	-127.8	89	172.1	0	0	0	0	0	108.3	E165	A161-E165 WeakPolarHBondContact CA-OE2 3.19Å; A161-E165 PolarHBondContact N-OE2 3.46Å
162	N	95.3	Very high	92.6	Very high	64 Å²	64	119.1 Å²	119.1	34%	0.342	62%	0.619	S	S	.	*			trans	-102.2	158.4	178.5	-62.4	-46	0	0	0	111.3	W164 E165 I166	N162-W164 VanDerWaalsContact C-N 3.27Å; N162-W164 HydrophobicContact CB-CD2 4.21Å; N162-W164 HydrophobicContact CB-CG 4.27Å; N162-W164 HydrophobicContact CB-CZ2 4.06Å; N162-W164 VanDerWaalsContact CB-NE1 3.34Å; N162-W164 WeakPolarHBondContact ND2-CZ2 3.36Å; N162-W164 PolarHBondContact O-N 3.16Å; N162-E165 HydrophobicContact CB-CG 4.28Å; N162-E165 PolarHBondContact N-OE2 3.19Å; N162-E165 PolarHBondContact O-N 2.69Å; N162-I166 WeakPolarHBondContact O-CG1 3.19Å; N162-I166 PolarHBondContact O-N 3.08Å; N162-I166 VanDerWaalsContact O-N 3.07Å
163	Q	95.3	Very high	92.8	Very high	174 Å²	174	119.3 Å²	119.3	81%	0.813	61%	0.608	S	S	*	*	H	α-helix	trans	-62	-33.6	-179.1	-171.8	172.5	-2.8	0	0	113	Y167	Q163-Y167 WeakPolarHBondContact O-CB 3.48Å; Q163-Y167 PolarHBondContact O-N 3.26Å
164	W	95.1	Very high	93	Very high	159 Å²	159	117.1 Å²	117.1	60%	0.602	59%	0.588	S	S	*	*	H	α-helix	trans	-71.4	-38.8	176.9	49.9	-91.3	0	0	0	112.1	N162 I166 Y167 D168	N162-W164 VanDerWaalsContact C-N 3.27Å; N162-W164 HydrophobicContact CB-CD2 4.21Å; N162-W164 HydrophobicContact CB-CG 4.27Å; N162-W164 HydrophobicContact CB-CZ2 4.06Å; N162-W164 VanDerWaalsContact CB-NE1 3.34Å; N162-W164 WeakPolarHBondContact ND2-CZ2 3.36Å; N162-W164 PolarHBondContact O-N 3.16Å; W164-I166 VanDerWaalsContact C-N 3.35Å; W164-I166 PolarHBondContact O-N 3.21Å; W164-Y167 PolarHBondContact O-N 3.48Å; W164-D168 WeakPolarHBondContact O-CB 3.36Å; W164-D168 VanDerWaalsContact O-CG 3.23Å; W164-D168 PolarHBondContact O-N 2.96Å
165	E	93.4	Very high	93.2	Very high	48 Å²	48	111.9 Å²	111.9	22%	0.224	57%	0.574	C	S	.	*	H	α-helix	trans	-62.6	-42.1	173.8	-64.9	166.5	166.4	0	0	111.6	S160 A161 N162 A169	S160-E165 PolarHBondContact OG-OE1 2.66Å; A161-E165 WeakPolarHBondContact CA-OE2 3.19Å; A161-E165 PolarHBondContact N-OE2 3.46Å; N162-E165 HydrophobicContact CB-CG 4.28Å; N162-E165 PolarHBondContact N-OE2 3.19Å; N162-E165 PolarHBondContact O-N 2.69Å; E165-A169 VanDerWaalsContact O-CB 3.27Å; E165-A169 WeakPolarHBondContact O-CB 3.47Å; E165-A169 PolarHBondContact O-N 2.79Å
166	I	94.4	Very high	93.2	Very high	93 Å²	93	109.1 Å²	109.1	48%	0.477	56%	0.556	S	S	.	*	H	α-helix	trans	-62.9	-46.8	174.8	-63.7	167.7	0	0	0	109.8	N162 W164 A169 Y170	N162-I166 WeakPolarHBondContact O-CG1 3.19Å; N162-I166 PolarHBondContact O-N 3.08Å; N162-I166 VanDerWaalsContact O-N 3.07Å; W164-I166 VanDerWaalsContact C-N 3.35Å; W164-I166 PolarHBondContact O-N 3.21Å; I166-A169 PolarHBondContact O-N 3.43Å; I166-Y170 HydrophobicContact CG2-CD2 3.89Å; I166-Y170 HydrophobicContact CG2-CE2 3.94Å; I166-Y170 VanDerWaalsContact O-CD2 3.23Å; I166-Y170 WeakPolarHBondContact O-CD2 3.43Å; I166-Y170 PolarHBondContact O-N 3.39Å
167	Y	96	Very high	93	Very high	145 Å²	145	107.2 Å²	107.2	57%	0.569	54%	0.537	S	S	*	.	H	α-helix	trans	-59.9	-48.4	179.8	178.9	-100.3	0	0	0	112	Q163 W164 A169 Y170 L171	Q163-Y167 WeakPolarHBondContact O-CB 3.48Å; Q163-Y167 PolarHBondContact O-N 3.26Å; W164-Y167 PolarHBondContact O-N 3.48Å; Y167-A169 PolarHBondContact O-N 2.94Å; Y167-Y170 PolarHBondContact O-N 3.3Å; Y167-L171 HydrophobicContact CD1-CD1 3.84Å; Y167-L171 HydrophobicContact CD1-CG 4.33Å; Y167-L171 HydrophobicContact CE1-CD1 3.19Å; Y167-L171 HydrophobicContact CE1-CG 3.92Å; Y167-L171 HydrophobicContact CE2-CD1 4.45Å; Y167-L171 HydrophobicContact CE2-CG 4.39Å; Y167-L171 PolarHBondContact O-N 3.25Å
168	D	96	Very high	92.7	Very high	88 Å²	88	103.8 Å²	103.8	47%	0.471	53%	0.526	S	S	.	.	H	α-helix	trans	-63.6	-43.7	-179.7	-68.2	-15.9	0	0	0	111.4	W164 Y170 L171 E172	W164-D168 WeakPolarHBondContact O-CB 3.36Å; W164-D168 VanDerWaalsContact O-CG 3.23Å; W164-D168 PolarHBondContact O-N 2.96Å; D168-Y170 VanDerWaalsContact C-N 3.3Å; D168-Y170 PolarHBondContact O-N 3.32Å; D168-L171 PolarHBondContact O-N 2.88Å; D168-E172 WeakPolarHBondContact O-CB 3.48Å; D168-E172 PolarHBondContact O-N 2.83Å
169	A	93	Very high	92.2	Very high	55 Å²	55	101.3 Å²	101.3	46%	0.455	51%	0.509	S	S	.	.	H	α-helix	trans	-62.3	-37.1	176.2	0	0	0	0	0	112.5	E165 I166 Y167 K173	E165-A169 VanDerWaalsContact O-CB 3.27Å; E165-A169 WeakPolarHBondContact O-CB 3.47Å; E165-A169 PolarHBondContact O-N 2.79Å; I166-A169 PolarHBondContact O-N 3.43Å; Y167-A169 PolarHBondContact O-N 2.94Å; A169-K173 WeakPolarHBondContact O-CB 3.4Å; A169-K173 PolarHBondContact O-N 2.98Å; A169-K173 VanDerWaalsContact O-N 3.09Å
170	Y	95.1	Very high	91.8	Very high	152 Å²	152	99.8 Å²	99.8	60%	0.596	50%	0.5	S	S	*	.	H	α-helix	trans	-71.9	-39.9	175.6	-91.7	-103.6	0	0	0	112.4	I166 Y167 D168 K173 L174	I166-Y170 HydrophobicContact CG2-CD2 3.89Å; I166-Y170 HydrophobicContact CG2-CE2 3.94Å; I166-Y170 VanDerWaalsContact O-CD2 3.23Å; I166-Y170 WeakPolarHBondContact O-CD2 3.43Å; I166-Y170 PolarHBondContact O-N 3.39Å; Y167-Y170 PolarHBondContact O-N 3.3Å; D168-Y170 VanDerWaalsContact C-N 3.3Å; D168-Y170 PolarHBondContact O-N 3.32Å; Y170-K173 PolarHBondContact O-N 2.83Å; Y170-L174 WeakPolarHBondContact O-CG 3.26Å; Y170-L174 PolarHBondContact O-N 3.48Å
171	L	94.6	Very high	90.9	Very high	63 Å²	63	103.1 Å²	103.1	33%	0.33	51%	0.507	S	S	.	.	H	α-helix	trans	-61.2	-46.2	173.8	-81.3	-176.6	0	0	0	111.6	Y167 D168 K173 L174 Q175	Y167-L171 HydrophobicContact CD1-CD1 3.84Å; Y167-L171 HydrophobicContact CD1-CG 4.33Å; Y167-L171 HydrophobicContact CE1-CD1 3.19Å; Y167-L171 HydrophobicContact CE1-CG 3.92Å; Y167-L171 HydrophobicContact CE2-CD1 4.45Å; Y167-L171 HydrophobicContact CE2-CG 4.39Å; Y167-L171 PolarHBondContact O-N 3.25Å; D168-L171 PolarHBondContact O-N 2.88Å; L171-K173 VanDerWaalsContact C-N 3.27Å; L171-K173 PolarHBondContact O-N 3.37Å; L171-L174 PolarHBondContact O-N 3.08Å; L171-Q175 WeakPolarHBondContact O-CG 3.5Å; L171-Q175 PolarHBondContact O-N 3.19Å
172	E	93.9	Very high	90	Very high	99 Å²	99	103.1 Å²	103.1	46%	0.463	49%	0.494	S	S	.	.	H	α-helix	trans	-61.6	-39.8	177.8	-163.1	-163	171	0	0	110.9	D168 Q175 K176	D168-E172 WeakPolarHBondContact O-CB 3.48Å; D168-E172 PolarHBondContact O-N 2.83Å; E172-Q175 PolarHBondContact O-N 2.98Å; E172-K176 WeakPolarHBondContact O-CB 3.28Å; E172-K176 VanDerWaalsContact O-CG 3.28Å; E172-K176 WeakPolarHBondContact O-CG 3.42Å; E172-K176 PolarHBondContact O-N 3.2Å; E172-K176 WeakPolarHBondContact OE1-CE 3.24Å; E172-K176 IonicContact OE1-NZ 2.74Å; E172-K176 PolarHBondContact OE1-NZ 3.33Å; E172-K176 IonicContact OE2-NZ 3.69Å
173	K	93.4	Very high	88.9	Confident	120 Å²	120	104.8 Å²	104.8	52%	0.522	51%	0.507	S	S	.	.	H	α-helix	trans	-64.7	-41.3	175.3	-172.8	178.1	-179.3	179.1	0	112.4	A169 Y170 L171 K176 Q177	A169-K173 WeakPolarHBondContact O-CB 3.4Å; A169-K173 PolarHBondContact O-N 2.98Å; A169-K173 VanDerWaalsContact O-N 3.09Å; Y170-K173 PolarHBondContact O-N 2.83Å; L171-K173 VanDerWaalsContact C-N 3.27Å; L171-K173 PolarHBondContact O-N 3.37Å; K173-K176 PolarHBondContact O-N 2.98Å; K173-Q177 WeakPolarHBondContact O-CG 3.41Å; K173-Q177 PolarHBondContact O-N 2.83Å
174	L	92.8	Very high	87.6	Confident	88 Å²	88	102.8 Å²	102.8	46%	0.461	50%	0.496	S	S	.	.	H	α-helix	trans	-64	-47.2	175.9	-80.2	162.7	0	0	0	111.2	Y170 L171 K176 Q177 D178	Y170-L174 WeakPolarHBondContact O-CG 3.26Å; Y170-L174 PolarHBondContact O-N 3.48Å; L171-L174 PolarHBondContact O-N 3.08Å; L174-K176 VanDerWaalsContact C-N 3.29Å; L174-K176 PolarHBondContact O-N 3.09Å; L174-Q177 WeakPolarHBondContact O-CA 3.43Å; L174-Q177 WeakPolarHBondContact O-CB 3.07Å; L174-Q177 PolarHBondContact O-N 2.81Å; L174-D178 PolarHBondContact O-N 3.32Å
175	Q	92.1	Very high	86.1	Confident	132 Å²	132	100.9 Å²	100.9	62%	0.617	49%	0.492	S	S	*	.	H	α-helix	trans	-58.8	-40.8	175.4	-71.6	176.6	-2.3	0	0	112	L171 E172 D178 S179	L171-Q175 WeakPolarHBondContact O-CG 3.5Å; L171-Q175 PolarHBondContact O-N 3.19Å; E172-Q175 PolarHBondContact O-N 2.98Å; Q175-D178 PolarHBondContact O-N 3.19Å; Q175-S179 WeakPolarHBondContact O-CB 3.32Å; Q175-S179 PolarHBondContact O-N 3.16Å; Q175-S179 PolarHBondContact O-OG 3.03Å
176	K	89.8	Confident	84.4	Confident	105 Å²	105	106 Å²	106	46%	0.457	51%	0.513	S	S	.	.	H	α-helix	trans	-62	-43.5	173.2	-75	170.6	-175.4	167	0	111.2	E172 K173 L174 S179 I180	E172-K176 WeakPolarHBondContact O-CB 3.28Å; E172-K176 VanDerWaalsContact O-CG 3.28Å; E172-K176 WeakPolarHBondContact O-CG 3.42Å; E172-K176 PolarHBondContact O-N 3.2Å; E172-K176 WeakPolarHBondContact OE1-CE 3.24Å; E172-K176 IonicContact OE1-NZ 2.74Å; E172-K176 PolarHBondContact OE1-NZ 3.33Å; E172-K176 IonicContact OE2-NZ 3.69Å; K173-K176 PolarHBondContact O-N 2.98Å; L174-K176 VanDerWaalsContact C-N 3.29Å; L174-K176 PolarHBondContact O-N 3.09Å; K176-S179 PolarHBondContact O-N 3.45Å; K176-S179 PolarHBondContact O-OG 2.91Å; K176-I180 WeakPolarHBondContact O-CB 3.41Å; K176-I180 WeakPolarHBondContact O-CD1 3.39Å; K176-I180 WeakPolarHBondContact O-CG1 3.37Å; K176-I180 PolarHBondContact O-N 3.42Å
177	Q	85.3	Confident	82.7	Confident	107 Å²	107	105.5 Å²	105.5	50%	0.5	52%	0.518	S	S	.	.	H	α-helix	trans	-63.5	-43.5	176.8	-75.4	-179.2	-14.6	0	0	112.7	K173 L174 I180 F181	K173-Q177 WeakPolarHBondContact O-CG 3.41Å; K173-Q177 PolarHBondContact O-N 2.83Å; L174-Q177 WeakPolarHBondContact O-CA 3.43Å; L174-Q177 WeakPolarHBondContact O-CB 3.07Å; L174-Q177 PolarHBondContact O-N 2.81Å; Q177-I180 PolarHBondContact O-N 2.85Å; Q177-F181 WeakPolarHBondContact O-CB 3.38Å; Q177-F181 PolarHBondContact O-N 3.09Å
178	D	84.5	Confident	80.8	Confident	98 Å²	98	105.7 Å²	105.7	52%	0.524	53%	0.528	S	S	.	.	H	α-helix	trans	-64.6	-43.2	177.2	-71	-20.1	0	0	0	111.3	L174 Q175 I180 F181 D182	L174-D178 PolarHBondContact O-N 3.32Å; Q175-D178 PolarHBondContact O-N 3.19Å; D178-I180 VanDerWaalsContact C-N 3.31Å; D178-I180 PolarHBondContact O-N 3.03Å; D178-F181 CarbonylContact O-C 3.6Å; D178-F181 WeakPolarHBondContact O-CB 3.34Å; D178-F181 PolarHBondContact O-N 3.48Å; D178-F181 VanDerWaalsContact O-N 3.13Å; D178-D182 WeakPolarHBondContact O-CB 3.34Å; D178-D182 PolarHBondContact O-N 2.99Å
179	S	82.6	Confident	78.9	Confident	62 Å²	62	108.2 Å²	108.2	43%	0.434	54%	0.541	S	S	.	.	H	α-helix	trans	-62.2	-38.4	175.3	72.7	0	0	0	0	112.3	Q175 K176 D182 V183	Q175-S179 WeakPolarHBondContact O-CB 3.32Å; Q175-S179 PolarHBondContact O-N 3.16Å; Q175-S179 PolarHBondContact O-OG 3.03Å; K176-S179 PolarHBondContact O-N 3.45Å; K176-S179 PolarHBondContact O-OG 2.91Å; S179-D182 PolarHBondContact O-N 3.38Å; S179-V183 WeakPolarHBondContact O-CB 3.29Å; S179-V183 VanDerWaalsContact O-CG2 3.22Å; S179-V183 WeakPolarHBondContact O-CG2 3.2Å; S179-V183 PolarHBondContact O-N 2.69Å
180	I	80.5	Confident	76.8	Confident	93 Å²	93	111 Å²	111	48%	0.477	55%	0.548	S	S	.	.	H	α-helix	trans	-68	-38.3	175	-68.6	162.7	0	0	0	110.5	K176 Q177 D178 K184	K176-I180 WeakPolarHBondContact O-CB 3.41Å; K176-I180 WeakPolarHBondContact O-CD1 3.39Å; K176-I180 WeakPolarHBondContact O-CG1 3.37Å; K176-I180 PolarHBondContact O-N 3.42Å; Q177-I180 PolarHBondContact O-N 2.85Å; D178-I180 VanDerWaalsContact C-N 3.31Å; D178-I180 PolarHBondContact O-N 3.03Å; I180-K184 HydrophobicContact CG2-CD 4.46Å; I180-K184 WeakPolarHBondContact O-CB 3.43Å; I180-K184 WeakPolarHBondContact O-CG 3.43Å; I180-K184 PolarHBondContact O-N 2.95Å
181	F	74.6	Confident	74.3	Confident	131 Å²	131	110.1 Å²	110.1	58%	0.575	56%	0.564	S	S	*	*	H	α-helix	trans	-66.5	-41.4	175.7	-170.9	-94.6	0	0	0	111.7	Q177 D178 K184 K185	Q177-F181 WeakPolarHBondContact O-CB 3.38Å; Q177-F181 PolarHBondContact O-N 3.09Å; D178-F181 CarbonylContact O-C 3.6Å; D178-F181 WeakPolarHBondContact O-CB 3.34Å; D178-F181 PolarHBondContact O-N 3.48Å; D178-F181 VanDerWaalsContact O-N 3.13Å; F181-K184 PolarHBondContact O-N 2.93Å; F181-K185 HydrophobicContact CE1-CD 4.41Å; F181-K185 WeakPolarHBondContact O-CB 3.48Å; F181-K185 PolarHBondContact O-N 3.04Å
182	D	72.6	Confident	71.9	Confident	89 Å²	89	109 Å²	109	48%	0.476	57%	0.568	S	S	.	*	H	α-helix	trans	-66.9	-38	175.2	-81	-19.1	0	0	0	112.6	D178 S179 K185 K186	D178-D182 WeakPolarHBondContact O-CB 3.34Å; D178-D182 PolarHBondContact O-N 2.99Å; S179-D182 PolarHBondContact O-N 3.38Å; D182-K185 PolarHBondContact O-N 3.17Å; D182-K186 WeakPolarHBondContact O-CB 3.35Å; D182-K186 WeakPolarHBondContact O-CG 3.42Å; D182-K186 PolarHBondContact O-N 2.85Å
183	V	72.1	Confident	69.7	Low	100 Å²	100	110.3 Å²	110.3	61%	0.606	58%	0.582	S	S	*	*	H	α-helix	trans	-64.1	-42.7	171.9	169.4	0	0	0	0	110.6	S179 K186 S187	S179-V183 WeakPolarHBondContact O-CB 3.29Å; S179-V183 VanDerWaalsContact O-CG2 3.22Å; S179-V183 WeakPolarHBondContact O-CG2 3.2Å; S179-V183 PolarHBondContact O-N 2.69Å; V183-K186 PolarHBondContact O-N 3.4Å; V183-S187 WeakPolarHBondContact O-CB 3.45Å; V183-S187 PolarHBondContact O-N 2.86Å; V183-S187 PolarHBondContact O-OG 2.83Å
184	K	67.1	Low	67	Low	132 Å²	132	115 Å²	115	57%	0.574	60%	0.598	S	S	*	*	H	α-helix	trans	-64	-40.4	174.3	-77.9	178.3	178.4	179.5	0	112.1	I180 F181 S187 L188	I180-K184 HydrophobicContact CG2-CD 4.46Å; I180-K184 WeakPolarHBondContact O-CB 3.43Å; I180-K184 WeakPolarHBondContact O-CG 3.43Å; I180-K184 PolarHBondContact O-N 2.95Å; F181-K184 PolarHBondContact O-N 2.93Å; K184-S187 WeakPolarHBondContact CA-OG 3.32Å; K184-S187 PolarHBondContact O-N 2.89Å; K184-S187 PolarHBondContact O-OG 3.35Å; K184-L188 WeakPolarHBondContact O-CG 3.49Å; K184-L188 PolarHBondContact O-N 2.79Å
185	K	63.5	Low	64.6	Low	119 Å²	119	121 Å²	121	52%	0.517	62%	0.621	S	S	.	*	H	α-helix	trans	-68.5	-39.7	177.8	-166.3	175	179.3	-178.3	0	112.2	F181 D182 L188 L189	F181-K185 HydrophobicContact CE1-CD 4.41Å; F181-K185 WeakPolarHBondContact O-CB 3.48Å; F181-K185 PolarHBondContact O-N 3.04Å; D182-K185 PolarHBondContact O-N 3.17Å; K185-L188 PolarHBondContact O-N 2.75Å; K185-L189 HydrophobicContact CG-CD1 4.49Å; K185-L189 PolarHBondContact O-N 2.9Å
186	K	59.5	Low	62.1	Low	155 Å²	155	126.1 Å²	126.1	67%	0.674	63%	0.634	S	S	*	*	H	α-helix	trans	-66.6	-37.3	171.7	-79.6	178.1	177.8	172.4	0	112.3	D182 V183 L188 L189 D190	D182-K186 WeakPolarHBondContact O-CB 3.35Å; D182-K186 WeakPolarHBondContact O-CG 3.42Å; D182-K186 PolarHBondContact O-N 2.85Å; V183-K186 PolarHBondContact O-N 3.4Å; K186-L188 PolarHBondContact O-N 3.27Å; K186-L189 PolarHBondContact O-N 3.49Å; K186-D190 PolarHBondContact O-N 2.79Å; K186-D190 VanDerWaalsContact O-N 3.13Å
187	S	57	Low	59.6	Low	83 Å²	83	132.2 Å²	132.2	58%	0.58	65%	0.654	S	S	*	*	H	α-helix	trans	-66.1	-19.8	175.6	74.6	0	0	0	0	114	V183 K184	V183-S187 WeakPolarHBondContact O-CB 3.45Å; V183-S187 PolarHBondContact O-N 2.86Å; V183-S187 PolarHBondContact O-OG 2.83Å; K184-S187 WeakPolarHBondContact CA-OG 3.32Å; K184-S187 PolarHBondContact O-N 2.89Å; K184-S187 PolarHBondContact O-OG 3.35Å
188	L	56.7	Low	57.4	Low	149 Å²	149	133 Å²	133	78%	0.78	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.1	-13.2	173.8	-72.8	164.8	0	0	0	113.3	K184 K185 K186	K184-L188 WeakPolarHBondContact O-CG 3.49Å; K184-L188 PolarHBondContact O-N 2.79Å; K185-L188 PolarHBondContact O-N 2.75Å; K186-L188 PolarHBondContact O-N 3.27Å
189	L	57.4	Low	55.3	Low	141 Å²	141	137.1 Å²	137.1	74%	0.738	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.8	-9	-176.9	-84.4	153	0	0	0	113.7	K185 K186	K185-L189 HydrophobicContact CG-CD1 4.49Å; K185-L189 PolarHBondContact O-N 2.9Å; K186-L189 PolarHBondContact O-N 3.49Å
190	D	46.9	Very low	53.1	Low	112 Å²	112	141.7 Å²	141.7	60%	0.599	71%	0.705	S	S	*	*			trans	-128.3	75.4	-173.4	-154	7	0	0	0	113.1	K186 G192	K186-D190 PolarHBondContact O-N 2.79Å; K186-D190 VanDerWaalsContact O-N 3.13Å; D190-G192 PolarHBondContact O-N 2.98Å; D190-G192 WeakPolarHBondContact OD1-CA 3.4Å; D190-G192 PolarHBondContact OD1-N 3.31Å
191	S	43.2	Very low	51	Low	135 Å²	135	146.9 Å²	146.9	94%	0.944	72%	0.724	S	S	*	*			trans	-82.1	54.5	156.7	-52.7	0	0	0	0	109.4
192	G	44.2	Very low	49.3	Very low	39 Å²	39	144.4 Å²	144.4	40%	0.402	73%	0.728	S	S	.	*	S	Bend	trans	-159.4	55	-166.2	0	0	0	0	0	115	D190	D190-G192 PolarHBondContact O-N 2.98Å; D190-G192 WeakPolarHBondContact OD1-CA 3.4Å; D190-G192 PolarHBondContact OD1-N 3.31Å
193	V	47.7	Very low	47.9	Very low	126 Å²	126	146.1 Å²	146.1	76%	0.764	74%	0.741	S	S	*	*			trans	14.1	106.4	157.2	-174.6	0	0	0	0	116.3
194	Y	37.1	Very low	46.3	Very low	219 Å²	219	150.3 Å²	150.3	86%	0.859	75%	0.752	S	S	*	*			trans	-158	113.2	134.4	-82.7	-68	0	0	0	111.1	R196	Y194-R196 PolarHBondContact O-N 2.87Å
195	F	42.2	Very low	45.1	Very low	214 Å²	214	150.5 Å²	150.5	94%	0.939	76%	0.758	S	S	*	*			trans	-66.2	115.8	166.1	-102.2	-95.1	0	0	0	109.9
196	R	39.2	Very low	44.5	Very low	239 Å²	239	150 Å²	150	90%	0.902	76%	0.761	S	S	*	*			trans	-101.6	123.9	159.8	-83.7	-169	173.9	-172.3	-0.2	109.6	Y194	Y194-R196 PolarHBondContact O-N 2.87Å
197	R	37.8	Very low	44.3	Very low	233 Å²	233	151.2 Å²	151.2	88%	0.879	77%	0.769	S	S	*	*			trans	-59.3	142.8	173	-74.8	177.8	173.3	174.7	-2.7	110.3	Q199	R197-Q199 PolarHBondContact O-N 3.48Å
198	P	39.4	Very low	44.2	Very low	124 Å²	124	151 Å²	151	81%	0.805	77%	0.767	S	S	*	*			trans	-69.9	115.4	169.2	27.8	-27.5	0	0	0	108.2
199	Q	40.4	Very low	44.1	Very low	184 Å²	184	149.6 Å²	149.6	86%	0.86	76%	0.757	S	S	*	*			trans	-71.5	125.3	167	-135.4	164.8	4.1	0	0	106.6	R197 F201	R197-Q199 PolarHBondContact O-N 3.48Å; Q199-F201 PolarHBondContact O-N 2.67Å
200	N	36	Very low	44.3	Very low	158 Å²	158	147.4 Å²	147.4	85%	0.845	75%	0.746	S	S	*	*			trans	-51.4	109.2	170.7	-68.9	-27.7	0	0	0	108.3	A202	N200-A202 PolarHBondContact O-N 3.1Å
201	F	37.4	Very low	45.5	Very low	203 Å²	203	147 Å²	147	89%	0.89	75%	0.747	S	S	*	*			trans	-73.2	81.5	170.1	-141.1	-94.1	0	0	0	106.2	Q199 V203	Q199-F201 PolarHBondContact O-N 2.67Å; F201-V203 PolarHBondContact O-N 3.45Å
202	A	37.4	Very low	47.1	Very low	79 Å²	79	144 Å²	144	65%	0.653	72%	0.723	S	S	*	*			trans	-60.9	120.7	173.3	0	0	0	0	0	107.8	N200 F204	N200-A202 PolarHBondContact O-N 3.1Å; A202-F204 PolarHBondContact O-N 2.85Å
203	V	43.6	Very low	48.7	Very low	124 Å²	124	147.5 Å²	147.5	75%	0.752	73%	0.729	S	S	*	*	S	Bend	trans	-57.9	81.4	168.9	177.4	0	0	0	0	109	F201 L206	F201-V203 PolarHBondContact O-N 3.45Å; V203-L206 HydrophobicContact CG1-CD1 4.11Å
204	F	38	Very low	50.6	Low	189 Å²	189	146.1 Å²	146.1	83%	0.829	72%	0.72	S	S	*	*			trans	-132.2	11.2	177.6	-153.4	-96.1	0	0	0	113.7	A202	A202-F204 PolarHBondContact O-N 2.85Å
205	L	42.3	Very low	52.9	Low	136 Å²	136	138 Å²	138	71%	0.712	70%	0.699	S	S	*	*	S	Bend	trans	-123.3	14.9	-177.5	-78.4	171.2	0	0	0	115.5
206	L	52	Low	55	Low	109 Å²	109	134 Å²	134	57%	0.571	68%	0.683	S	S	*	*	S	Bend	trans	-90.3	-12.1	-176.8	-79.6	164.8	0	0	0	115.4	V203	V203-L206 HydrophobicContact CG1-CD1 4.11Å
207	Q	53.6	Low	57.5	Low	180 Å²	180	126.6 Å²	126.6	84%	0.841	66%	0.664	S	S	*	*	H	α-helix	trans	-81.3	-22.9	-175	-74.8	-175.9	-28.8	0	0	114.7
208	S	55.6	Low	60	Low	79 Å²	79	117.9 Å²	117.9	55%	0.552	64%	0.642	S	S	*	*	H	α-helix	trans	-88.2	-32.7	-177	54	0	0	0	0	113.9
209	E	54.8	Low	62.4	Low	118 Å²	118	117 Å²	117	55%	0.551	63%	0.626	S	S	*	*	H	α-helix	trans	-72.3	-32.8	-179.1	-69.1	-172.2	163.5	0	0	112.4	V211 T212 Q213	E209-V211 VanDerWaalsContact C-N 3.35Å; E209-V211 PolarHBondContact O-N 3.32Å; E209-T212 PolarHBondContact O-N 2.98Å; E209-T212 PolarHBondContact O-OG1 3.45Å; E209-Q213 WeakPolarHBondContact O-CG 3.32Å; E209-Q213 PolarHBondContact O-N 3.16Å
210	D	61.3	Low	64.9	Low	96 Å²	96	112.8 Å²	112.8	51%	0.513	61%	0.608	S	S	.	*	H	α-helix	trans	-62.2	-39.6	178.4	-83.5	-15.9	0	0	0	112.2	Q213 V214	D210-Q213 PolarHBondContact O-N 3.26Å; D210-V214 WeakPolarHBondContact O-CB 3.49Å; D210-V214 WeakPolarHBondContact O-CG2 3.41Å; D210-V214 PolarHBondContact O-N 3.14Å
211	V	72.3	Confident	67.6	Low	104 Å²	104	109.7 Å²	109.7	63%	0.63	59%	0.591	S	S	*	*	H	α-helix	trans	-70.6	-36.6	-177.6	-177.2	0	0	0	0	111.5	E209 V214 A215	E209-V211 VanDerWaalsContact C-N 3.35Å; E209-V211 PolarHBondContact O-N 3.32Å; V211-V214 PolarHBondContact O-N 2.86Å; V211-A215 WeakPolarHBondContact O-CB 3.35Å; V211-A215 PolarHBondContact O-N 3.16Å
212	T	76.9	Confident	70.3	Confident	70 Å²	70	103.3 Å²	103.3	43%	0.429	56%	0.564	S	S	.	*	H	α-helix	trans	-67.8	-40.5	177.5	46.6	0	0	0	0	112	E209 A215 E216	E209-T212 PolarHBondContact O-N 2.98Å; E209-T212 PolarHBondContact O-OG1 3.45Å; T212-A215 PolarHBondContact O-N 3.43Å; T212-E216 PolarHBondContact O-N 2.98Å; T212-E216 VanDerWaalsContact O-N 3.15Å
213	Q	78.7	Confident	73	Confident	113 Å²	113	102.6 Å²	102.6	53%	0.528	54%	0.544	S	S	.	.	H	α-helix	trans	-65.4	-41.7	175.8	-68	-179.8	22.4	0	0	111.3	E209 D210 A215 E216 V217	E209-Q213 WeakPolarHBondContact O-CG 3.32Å; E209-Q213 PolarHBondContact O-N 3.16Å; D210-Q213 PolarHBondContact O-N 3.26Å; Q213-A215 VanDerWaalsContact C-N 3.31Å; Q213-A215 PolarHBondContact O-N 2.84Å; Q213-E216 PolarHBondContact O-N 3.21Å; Q213-V217 WeakPolarHBondContact O-CG2 3.3Å; Q213-V217 PolarHBondContact O-N 3.4Å; Q213-V217 VanDerWaalsContact O-N 3.1Å
214	V	87.6	Confident	75.4	Confident	97 Å²	97	100.7 Å²	100.7	59%	0.588	53%	0.528	S	S	*	.	H	α-helix	trans	-62.6	-38.4	175	172.1	0	0	0	0	111.5	D210 V211 V217 A218	D210-V214 WeakPolarHBondContact O-CB 3.49Å; D210-V214 WeakPolarHBondContact O-CG2 3.41Å; D210-V214 PolarHBondContact O-N 3.14Å; V211-V214 PolarHBondContact O-N 2.86Å; V214-V217 PolarHBondContact O-N 3.41Å; V214-A218 VanDerWaalsContact O-CB 3.25Å; V214-A218 WeakPolarHBondContact O-CB 3.39Å; V214-A218 PolarHBondContact O-N 2.93Å
215	A	85.3	Confident	78.1	Confident	49 Å²	49	95.6 Å²	95.6	41%	0.405	51%	0.513	S	S	.	.	H	α-helix	trans	-64.3	-39.9	177.8	0	0	0	0	0	112.5	V211 T212 Q213 A218 K219	V211-A215 WeakPolarHBondContact O-CB 3.35Å; V211-A215 PolarHBondContact O-N 3.16Å; T212-A215 PolarHBondContact O-N 3.43Å; Q213-A215 VanDerWaalsContact C-N 3.31Å; Q213-A215 PolarHBondContact O-N 2.84Å; A215-A218 PolarHBondContact O-N 3.45Å; A215-K219 WeakPolarHBondContact O-CG 3.23Å; A215-K219 PolarHBondContact O-N 2.76Å; A215-K219 VanDerWaalsContact O-N 3.08Å
216	E	86.1	Confident	80.6	Confident	131 Å²	131	90.2 Å²	90.2	61%	0.612	48%	0.484	S	S	*	.	H	α-helix	trans	-64.6	-45.5	175.1	-70.1	-178.9	176.5	0	0	111.8	T212 Q213 A218 K219 I220	T212-E216 PolarHBondContact O-N 2.98Å; T212-E216 VanDerWaalsContact O-N 3.15Å; Q213-E216 PolarHBondContact O-N 3.21Å; E216-A218 PolarHBondContact O-N 3.2Å; E216-K219 PolarHBondContact O-N 2.84Å; E216-I220 WeakPolarHBondContact O-CG1 2.96Å; E216-I220 PolarHBondContact O-N 3.18Å
217	V	90.9	Very high	82.5	Confident	82 Å²	82	90.5 Å²	90.5	50%	0.497	48%	0.483	S	S	.	.	H	α-helix	trans	-63.7	-41.6	176.6	175.9	0	0	0	0	111.1	Q213 V214 K219 I220 I221	Q213-V217 WeakPolarHBondContact O-CG2 3.3Å; Q213-V217 PolarHBondContact O-N 3.4Å; Q213-V217 VanDerWaalsContact O-N 3.1Å; V214-V217 PolarHBondContact O-N 3.41Å; V217-K219 VanDerWaalsContact C-N 3.33Å; V217-K219 PolarHBondContact O-N 3.23Å; V217-I220 WeakPolarHBondContact O-CB 3.34Å; V217-I220 PolarHBondContact O-N 2.9Å; V217-I220 VanDerWaalsContact O-N 3.1Å; V217-I221 HydrophobicContact CG1-CD1 3.89Å; V217-I221 HydrophobicContact CG1-CG1 4.39Å; V217-I221 WeakPolarHBondContact O-CG1 3.41Å; V217-I221 PolarHBondContact O-N 2.88Å
218	A	90.8	Very high	84.5	Confident	51 Å²	51	87.5 Å²	87.5	42%	0.421	47%	0.473	S	S	.	.	H	α-helix	trans	-60.2	-41.4	177	0	0	0	0	0	111.9	V214 A215 E216 I220 I221 E222	V214-A218 VanDerWaalsContact O-CB 3.25Å; V214-A218 WeakPolarHBondContact O-CB 3.39Å; V214-A218 PolarHBondContact O-N 2.93Å; A215-A218 PolarHBondContact O-N 3.45Å; E216-A218 PolarHBondContact O-N 3.2Å; A218-I220 VanDerWaalsContact C-N 3.32Å; A218-I220 PolarHBondContact O-N 3.39Å; A218-I221 PolarHBondContact O-N 3.22Å; A218-E222 WeakPolarHBondContact O-CB 3.13Å; A218-E222 PolarHBondContact O-N 2.79Å
219	K	89.4	Confident	86.3	Confident	105 Å²	105	88.8 Å²	88.8	46%	0.457	48%	0.477	S	S	.	.	H	α-helix	trans	-61.4	-38.4	173.6	-73.8	178.7	179.2	-171.9	0	112.5	A215 E216 V217 R223	A215-K219 WeakPolarHBondContact O-CG 3.23Å; A215-K219 PolarHBondContact O-N 2.76Å; A215-K219 VanDerWaalsContact O-N 3.08Å; E216-K219 PolarHBondContact O-N 2.84Å; V217-K219 VanDerWaalsContact C-N 3.33Å; V217-K219 PolarHBondContact O-N 3.23Å; K219-R223 WeakPolarHBondContact O-CG 3.25Å; K219-R223 PolarHBondContact O-N 2.85Å; K219-R223 VanDerWaalsContact O-N 3.13Å
220	I	92	Very high	88.2	Confident	95 Å²	95	86 Å²	86	49%	0.487	47%	0.465	S	S	.	.	H	α-helix	trans	-67.3	-44.2	176.6	-64.6	167.9	0	0	0	110.3	E216 V217 A218 E222 R223 I224	E216-I220 WeakPolarHBondContact O-CG1 2.96Å; E216-I220 PolarHBondContact O-N 3.18Å; V217-I220 WeakPolarHBondContact O-CB 3.34Å; V217-I220 PolarHBondContact O-N 2.9Å; V217-I220 VanDerWaalsContact O-N 3.1Å; A218-I220 VanDerWaalsContact C-N 3.32Å; A218-I220 PolarHBondContact O-N 3.39Å; I220-E222 VanDerWaalsContact C-N 3.34Å; I220-E222 PolarHBondContact O-N 2.78Å; I220-R223 WeakPolarHBondContact O-CB 3.49Å; I220-R223 PolarHBondContact O-N 3.35Å; I220-I224 HydrophobicContact CG2-CD1 4.13Å; I220-I224 WeakPolarHBondContact O-CG1 3.3Å; I220-I224 PolarHBondContact O-N 2.69Å; I220-I224 VanDerWaalsContact O-N 3.08Å
221	I	93.9	Very high	89.7	Confident	94 Å²	94	84.5 Å²	84.5	48%	0.482	46%	0.457	S	S	.	.	H	α-helix	trans	-62.3	-42.5	176.8	-67.1	170	0	0	0	110.7	V217 A218 R223 I224 V225	V217-I221 HydrophobicContact CG1-CD1 3.89Å; V217-I221 HydrophobicContact CG1-CG1 4.39Å; V217-I221 WeakPolarHBondContact O-CG1 3.41Å; V217-I221 PolarHBondContact O-N 2.88Å; A218-I221 PolarHBondContact O-N 3.22Å; I221-R223 VanDerWaalsContact C-N 3.33Å; I221-R223 PolarHBondContact O-N 2.92Å; I221-I224 WeakPolarHBondContact O-CB 2.99Å; I221-I224 PolarHBondContact O-N 3.1Å; I221-I224 VanDerWaalsContact O-N 3.12Å; I221-V225 HydrophobicContact CG2-CG2 4.34Å; I221-V225 WeakPolarHBondContact O-CG2 3.33Å; I221-V225 PolarHBondContact O-N 2.78Å
222	E	93	Very high	90.8	Very high	69 Å²	69	85.2 Å²	85.2	32%	0.322	46%	0.457	S	S	.	.	H	α-helix	trans	-57.6	-45.5	176.1	-171.9	-172.6	169.4	0	0	111.5	A218 I220 I224 V225 I226 N307 F310	A218-E222 WeakPolarHBondContact O-CB 3.13Å; A218-E222 PolarHBondContact O-N 2.79Å; I220-E222 VanDerWaalsContact C-N 3.34Å; I220-E222 PolarHBondContact O-N 2.78Å; E222-I224 VanDerWaalsContact C-N 3.32Å; E222-I224 PolarHBondContact O-N 2.88Å; E222-V225 PolarHBondContact O-N 3.03Å; E222-I226 HydrophobicContact CG-CD1 3.95Å; E222-I226 WeakPolarHBondContact O-CG1 3.36Å; E222-I226 PolarHBondContact O-N 3.08Å; E222-N307 PolarHBondContact OE1-ND2 2.96Å; E222-F310 WeakPolarHBondContact OE1-CB 3.12Å
223	R	94.1	Very high	91.7	Very high	63 Å²	63	84.3 Å²	84.3	24%	0.238	45%	0.449	C	S	.	.	H	α-helix	trans	-58.1	-43.3	174.2	-72	168.6	173.1	171.2	-1.8	112	K219 I220 I221 I226 Q227 K306 N307 E312	K219-R223 WeakPolarHBondContact O-CG 3.25Å; K219-R223 PolarHBondContact O-N 2.85Å; K219-R223 VanDerWaalsContact O-N 3.13Å; I220-R223 WeakPolarHBondContact O-CB 3.49Å; I220-R223 PolarHBondContact O-N 3.35Å; I221-R223 VanDerWaalsContact C-N 3.33Å; I221-R223 PolarHBondContact O-N 2.92Å; R223-I226 PolarHBondContact O-N 2.94Å; R223-Q227 VanDerWaalsContact O-CB 3.29Å; R223-Q227 WeakPolarHBondContact O-CB 3.49Å; R223-Q227 PolarHBondContact O-N 3.43Å; R223-K306 HydrophobicContact CG-CB 4.2Å; R223-N307 HydrophobicContact CG-CB 4.32Å; R223-E312 IonicContact CZ-OE1 3.59Å; R223-E312 IonicContact NH2-OE1 3.43Å; R223-E312 PolarHBondContact NH2-OE1 2.91Å; R223-E312 IonicContact NH2-OE2 2.76Å; R223-E312 PolarHBondContact NH2-OE2 3.36Å
224	I	94.4	Very high	92.4	Very high	84 Å²	84	80.4 Å²	80.4	43%	0.431	44%	0.436	S	S	.	.	H	α-helix	trans	-63.9	-44.2	178.6	-66.4	165.8	0	0	0	110.8	I220 I221 E222 I226 Q227 N228	I220-I224 HydrophobicContact CG2-CD1 4.13Å; I220-I224 WeakPolarHBondContact O-CG1 3.3Å; I220-I224 PolarHBondContact O-N 2.69Å; I220-I224 VanDerWaalsContact O-N 3.08Å; I221-I224 WeakPolarHBondContact O-CB 2.99Å; I221-I224 PolarHBondContact O-N 3.1Å; I221-I224 VanDerWaalsContact O-N 3.12Å; E222-I224 VanDerWaalsContact C-N 3.32Å; E222-I224 PolarHBondContact O-N 2.88Å; I224-I226 VanDerWaalsContact C-N 3.35Å; I224-I226 PolarHBondContact O-N 3.17Å; I224-Q227 PolarHBondContact O-N 3.16Å; I224-N228 VanDerWaalsContact O-CG 3.27Å; I224-N228 PolarHBondContact O-N 2.76Å; I224-N228 PolarHBondContact O-ND2 2.96Å
225	V	95.4	Very high	92.8	Very high	82 Å²	82	80.3 Å²	80.3	50%	0.497	43%	0.43	S	S	.	.	H	α-helix	trans	-62.3	-43.9	178.6	172.6	0	0	0	0	111	I221 E222 N228 T229	I221-V225 HydrophobicContact CG2-CG2 4.34Å; I221-V225 WeakPolarHBondContact O-CG2 3.33Å; I221-V225 PolarHBondContact O-N 2.78Å; E222-V225 PolarHBondContact O-N 3.03Å; V225-N228 PolarHBondContact O-N 3.32Å; V225-T229 WeakPolarHBondContact O-CB 3.37Å; V225-T229 PolarHBondContact O-N 3.42Å; V225-T229 PolarHBondContact O-OG1 3.03Å
226	I	93.7	Very high	93.3	Very high	23 Å²	23	80.9 Å²	80.9	12%	0.118	43%	0.426	C	S	.	.	H	α-helix	trans	-69.8	-41.2	-179.4	-68.2	172.4	0	0	0	111.3	E222 R223 I224 N228 T229 M230 N307 A309	E222-I226 HydrophobicContact CG-CD1 3.95Å; E222-I226 WeakPolarHBondContact O-CG1 3.36Å; E222-I226 PolarHBondContact O-N 3.08Å; R223-I226 PolarHBondContact O-N 2.94Å; I224-I226 VanDerWaalsContact C-N 3.35Å; I224-I226 PolarHBondContact O-N 3.17Å; I226-N228 VanDerWaalsContact C-N 3.29Å; I226-N228 PolarHBondContact O-N 2.67Å; I226-T229 PolarHBondContact O-N 3.48Å; I226-T229 VanDerWaalsContact O-N 3.09Å; I226-M230 HydrophobicContact CG2-SD 4.49Å; I226-M230 PolarHBondContact O-N 3.4Å; I226-N307 HydrophobicContact CD1-CB 4.26Å; I226-N307 WeakPolarHBondContact CD1-OD1 3.34Å; I226-A309 HydrophobicContact CD1-CB 3.92Å
227	Q	92.9	Very high	93.7	Very high	115 Å²	115	76.2 Å²	76.2	54%	0.537	40%	0.403	S	S	.	.	H	α-helix	trans	-57.1	-44.6	173.7	-176.9	177.2	-4.3	0	0	111.2	R223 I224 T229 M230 D231	R223-Q227 VanDerWaalsContact O-CB 3.29Å; R223-Q227 WeakPolarHBondContact O-CB 3.49Å; R223-Q227 PolarHBondContact O-N 3.43Å; I224-Q227 PolarHBondContact O-N 3.16Å; Q227-T229 VanDerWaalsContact C-N 3.31Å; Q227-T229 PolarHBondContact O-N 3.37Å; Q227-M230 CarbonylContact O-C 3.58Å; Q227-M230 PolarHBondContact O-N 2.89Å; Q227-D231 WeakPolarHBondContact O-CA 3.44Å; Q227-D231 PolarHBondContact O-N 2.96Å; Q227-D231 VanDerWaalsContact O-N 3.09Å
228	N	94.5	Very high	93.7	Very high	117 Å²	117	77.9 Å²	77.9	63%	0.626	40%	0.404	S	S	*	.	H	α-helix	trans	-67.9	-30.6	176.7	-69.5	-16.5	0	0	0	113	I224 V225 I226	I224-N228 VanDerWaalsContact O-CG 3.27Å; I224-N228 PolarHBondContact O-N 2.76Å; I224-N228 PolarHBondContact O-ND2 2.96Å; V225-N228 PolarHBondContact O-N 3.32Å; I226-N228 VanDerWaalsContact C-N 3.29Å; I226-N228 PolarHBondContact O-N 2.67Å
229	T	95.1	Very high	93.9	Very high	107 Å²	107	84.3 Å²	84.3	66%	0.656	42%	0.419	S	S	*	.	H	α-helix	trans	-75.6	-32.4	178.9	-54.5	0	0	0	0	111.9	V225 I226 Q227	V225-T229 WeakPolarHBondContact O-CB 3.37Å; V225-T229 PolarHBondContact O-N 3.42Å; V225-T229 PolarHBondContact O-OG1 3.03Å; I226-T229 PolarHBondContact O-N 3.48Å; I226-T229 VanDerWaalsContact O-N 3.09Å; Q227-T229 VanDerWaalsContact C-N 3.31Å; Q227-T229 PolarHBondContact O-N 3.37Å
230	M	93.3	Very high	94.1	Very high	59 Å²	59	83.2 Å²	83.2	29%	0.291	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116	36.4	-177.2	-60.2	-171.6	-175.6	0	0	112.3	I226 Q227 D232 I233 A234 S308	I226-M230 HydrophobicContact CG2-SD 4.49Å; I226-M230 PolarHBondContact O-N 3.4Å; Q227-M230 CarbonylContact O-C 3.58Å; Q227-M230 PolarHBondContact O-N 2.89Å; M230-D232 PolarHBondContact O-N 2.81Å; M230-I233 HydrophobicContact CB-CD1 4.4Å; M230-I233 PolarHBondContact O-N 3.43Å; M230-I233 HydrophobicContact SD-CD1 4.47Å; M230-A234 PolarHBondContact O-N 3.04Å; M230-A234 VanDerWaalsContact O-N 3.17Å; M230-S308 VanDerWaalsContact CE-OG 3.29Å; M230-S308 WeakPolarHBondContact CE-OG 2.97Å; M230-S308 PolarHBondContact SD-OG 3.05Å
231	D	94.3	Very high	94	Very high	64 Å²	64	82.7 Å²	82.7	34%	0.342	41%	0.409	S	S	.	.	H	α-helix	trans	-61.8	-44.1	-176.7	-173.3	49.2	0	0	0	111.6	Q227 I233 A234 Q235	Q227-D231 WeakPolarHBondContact O-CA 3.44Å; Q227-D231 PolarHBondContact O-N 2.96Å; Q227-D231 VanDerWaalsContact O-N 3.09Å; D231-I233 VanDerWaalsContact C-N 3.3Å; D231-I233 PolarHBondContact O-N 3.02Å; D231-A234 WeakPolarHBondContact O-CB 3.34Å; D231-A234 PolarHBondContact O-N 3.05Å; D231-Q235 WeakPolarHBondContact O-CG 3.45Å; D231-Q235 PolarHBondContact O-N 2.89Å; D231-Q235 PolarHBondContact OD2-NE2 2.86Å
232	D	95.4	Very high	93.8	Very high	120 Å²	120	79.6 Å²	79.6	64%	0.642	39%	0.394	S	S	*	.	H	α-helix	trans	-54	-46.1	178	-58.7	-24.3	0	0	0	111.8	M230 A234 Q235 D236	M230-D232 PolarHBondContact O-N 2.81Å; D232-A234 PolarHBondContact O-N 2.82Å; D232-Q235 PolarHBondContact O-N 2.98Å; D232-D236 WeakPolarHBondContact O-CB 3.19Å; D232-D236 PolarHBondContact O-N 3.22Å
233	I	95.4	Very high	93.7	Very high	50 Å²	50	79.6 Å²	79.6	26%	0.256	41%	0.406	S	S	.	.	H	α-helix	trans	-66.8	-38.2	179.5	-56	177.3	0	0	0	110.9	M230 D231 D236 F237 L257 W258	M230-I233 HydrophobicContact CB-CD1 4.4Å; M230-I233 PolarHBondContact O-N 3.43Å; M230-I233 HydrophobicContact SD-CD1 4.47Å; D231-I233 VanDerWaalsContact C-N 3.3Å; D231-I233 PolarHBondContact O-N 3.02Å; I233-D236 PolarHBondContact O-N 3.45Å; I233-F237 WeakPolarHBondContact O-CB 3.34Å; I233-F237 PolarHBondContact O-N 2.89Å; I233-L257 HydrophobicContact CG2-CB 3.78Å; I233-L257 HydrophobicContact CG2-CD2 3.99Å; I233-L257 HydrophobicContact CG2-CG 4.47Å; I233-W258 HydrophobicContact CG2-CD2 3.79Å; I233-W258 HydrophobicContact CG2-CE3 4.4Å; I233-W258 HydrophobicContact CG2-CG 4.07Å; I233-W258 HydrophobicContact CG2-CZ2 3.96Å
234	A	93.4	Very high	93.4	Very high	31 Å²	31	78.9 Å²	78.9	26%	0.256	41%	0.411	S	S	.	.	H	α-helix	trans	-69.1	-38.7	178.1	0	0	0	0	0	112.1	M230 D231 D232 F237 K238 W258	M230-A234 PolarHBondContact O-N 3.04Å; M230-A234 VanDerWaalsContact O-N 3.17Å; D231-A234 WeakPolarHBondContact O-CB 3.34Å; D231-A234 PolarHBondContact O-N 3.05Å; D232-A234 PolarHBondContact O-N 2.82Å; A234-F237 PolarHBondContact O-N 2.9Å; A234-K238 PolarHBondContact O-N 2.95Å; A234-W258 HydrophobicContact CB-CZ2 4.22Å
235	Q	94.8	Very high	93	Very high	96 Å²	96	75 Å²	75	45%	0.449	39%	0.391	S	S	.	.	H	α-helix	trans	-63.7	-44.9	171.9	-67.6	-173.7	18.4	0	0	110.6	D231 D232 F237 K238 Y239	D231-Q235 WeakPolarHBondContact O-CG 3.45Å; D231-Q235 PolarHBondContact O-N 2.89Å; D231-Q235 PolarHBondContact OD2-NE2 2.86Å; D232-Q235 PolarHBondContact O-N 2.98Å; Q235-F237 VanDerWaalsContact C-N 3.33Å; Q235-F237 PolarHBondContact O-N 2.95Å; Q235-K238 PolarHBondContact O-N 2.87Å; Q235-Y239 WeakPolarHBondContact O-CB 3.47Å; Q235-Y239 PolarHBondContact O-N 2.98Å
236	D	95.6	Very high	92.4	Very high	60 Å²	60	78.8 Å²	78.8	32%	0.321	40%	0.403	S	S	.	.	H	α-helix	trans	-63.3	-40	178	-78.9	-10.9	0	0	0	112.3	D232 I233 K238 F240 L255 L257 K592	D232-D236 WeakPolarHBondContact O-CB 3.19Å; D232-D236 PolarHBondContact O-N 3.22Å; I233-D236 PolarHBondContact O-N 3.45Å; D236-K238 VanDerWaalsContact C-N 3.33Å; D236-K238 PolarHBondContact O-N 2.96Å; D236-F240 HydrophobicContact CB-CB 4.02Å; D236-F240 WeakPolarHBondContact O-CB 3.33Å; D236-F240 PolarHBondContact O-N 2.93Å; D236-F240 WeakPolarHBondContact OD1-CB 3.41Å; D236-L255 HydrophobicContact CB-CD2 4.28Å; D236-L257 HydrophobicContact CB-CD2 4.12Å; D236-K592 PolarHBondContact O-NZ 3.07Å
237	F	94.6	Very high	92.1	Very high	33 Å²	33	85.9 Å²	85.9	15%	0.145	43%	0.433	C	S	.	.	H	α-helix	trans	-56	-46.6	174.8	165.3	-111.7	0	0	0	112.1	I233 A234 Q235 L257 W258 L305 H576 I578 K592	I233-F237 WeakPolarHBondContact O-CB 3.34Å; I233-F237 PolarHBondContact O-N 2.89Å; A234-F237 PolarHBondContact O-N 2.9Å; Q235-F237 VanDerWaalsContact C-N 3.33Å; Q235-F237 PolarHBondContact O-N 2.95Å; F237-L257 HydrophobicContact CB-CD1 3.92Å; F237-L257 HydrophobicContact CD2-CD1 3.86Å; F237-L257 HydrophobicContact CG-CD1 4.37Å; F237-W258 HydrophobicContact CB-CH2 3.33Å; F237-W258 HydrophobicContact CB-CZ2 4.27Å; F237-W258 HydrophobicContact CB-CZ3 3.77Å; F237-W258 AromaticContact CD1-CH2 3.78Å; F237-W258 HydrophobicContact CD1-CH2 3.78Å; F237-W258 HydrophobicContact CD1-CZ3 4.35Å; F237-W258 AromaticContact CD2-CH2 4Å; F237-W258 HydrophobicContact CD2-CH2 4Å; F237-W258 AromaticContact CD2-CZ3 3.76Å; F237-W258 HydrophobicContact CD2-CZ3 3.76Å; F237-W258 HydrophobicContact CE2-CZ3 4.44Å; F237-W258 AromaticContact CG-CH2 3.42Å; F237-W258 HydrophobicContact CG-CH2 3.42Å; F237-W258 VanDerWaalsContact CG-CH2 3.42Å; F237-W258 AromaticContact CG-CZ3 3.7Å; F237-W258 HydrophobicContact CG-CZ3 3.7Å; F237-L305 HydrophobicContact CZ-CD1 4.22Å; F237-H576 HydrophobicContact CE2-CB 3.97Å; F237-H576 HydrophobicContact CZ-CB 3.99Å; F237-H576 AromaticContact CZ-CD2 3.61Å; F237-H576 AromaticContact CZ-CG 3.68Å; F237-I578 HydrophobicContact CD2-CG2 3.69Å; F237-I578 HydrophobicContact CE2-CD1 3.93Å; F237-I578 HydrophobicContact CE2-CG1 4.45Å; F237-I578 HydrophobicContact CE2-CG2 3.56Å; F237-K592 PolarHBondContact O-NZ 3.25Å
238	K	92.4	Very high	91.5	Very high	117 Å²	117	85 Å²	85	51%	0.509	43%	0.425	S	S	.	.	H	α-helix	trans	-92.3	-38.2	-172.1	-171.7	60.1	174.7	-176.1	0	114.5	A234 Q235 D236	A234-K238 PolarHBondContact O-N 2.95Å; Q235-K238 PolarHBondContact O-N 2.87Å; D236-K238 VanDerWaalsContact C-N 3.33Å; D236-K238 PolarHBondContact O-N 2.96Å
239	Y	93.7	Very high	90.9	Very high	186 Å²	186	86.1 Å²	86.1	73%	0.729	43%	0.431	S	S	*	.	H	α-helix	trans	-118.4	-19.5	-164.5	-57.7	-68.2	0	0	0	114.5	Q235	Q235-Y239 WeakPolarHBondContact O-CB 3.47Å; Q235-Y239 PolarHBondContact O-N 2.98Å
240	F	93.6	Very high	90.3	Very high	83 Å²	83	86.6 Å²	86.6	36%	0.364	43%	0.426	S	S	.	.			trans	-78.2	135.6	179.4	178.1	-96.1	0	0	0	112.5	D236 D242 L255 K592	D236-F240 HydrophobicContact CB-CB 4.02Å; D236-F240 WeakPolarHBondContact O-CB 3.33Å; D236-F240 PolarHBondContact O-N 2.93Å; D236-F240 WeakPolarHBondContact OD1-CB 3.41Å; F240-D242 HydrophobicContact CE1-CB 4.28Å; F240-L255 HydrophobicContact CD1-CD2 3.65Å; F240-L255 HydrophobicContact CE1-CD2 3.89Å; F240-K592 VanDerWaalsContact O-CE 3.26Å; F240-K592 WeakPolarHBondContact O-CE 3.48Å; F240-K592 PolarHBondContact O-NZ 2.7Å
241	E	90.9	Very high	90	Very high	83 Å²	83	89.9 Å²	89.9	39%	0.388	44%	0.441	S	S	.	.			trans	-131.9	131.1	172.4	-65	-64.5	132.1	0	0	107.6	A243 K592 P595 R598	E241-A243 PolarHBondContact O-N 3.48Å; E241-K592 IonicContact OE1-NZ 3.56Å; E241-P595 HydrophobicContact CB-CG 4.39Å; E241-P595 WeakPolarHBondContact OE2-CG 3.37Å; E241-R598 IonicContact OE1-CZ 3.69Å; E241-R598 IonicContact OE1-NH1 2.98Å; E241-R598 IonicContact OE1-NH2 2.77Å; E241-R598 PolarHBondContact OE1-NH2 3.14Å; E241-R598 IonicContact OE2-CZ 3.75Å; E241-R598 IonicContact OE2-NH2 3.67Å; E241-R598 PolarHBondContact OE2-NH2 3.32Å
242	D	90	Very high	89.7	Confident	29 Å²	29	87.1 Å²	87.1	16%	0.155	43%	0.427	C	S	.	.			trans	-69.7	106	-178.3	-170.2	-5.1	0	0	0	109.9	F240 S244 D245 R248 T253	F240-D242 HydrophobicContact CE1-CB 4.28Å; D242-S244 PolarHBondContact O-N 3.48Å; D242-S244 WeakPolarHBondContact OD1-CB 3.46Å; D242-S244 PolarHBondContact OD1-N 2.88Å; D242-S244 PolarHBondContact OD1-OG 2.88Å; D242-D245 WeakPolarHBondContact O-CB 3.34Å; D242-D245 PolarHBondContact O-N 2.96Å; D242-R248 IonicContact OD2-NH1 3.06Å; D242-R248 PolarHBondContact OD2-NH1 2.9Å; D242-T253 PolarHBondContact OD2-OG1 3.21Å
243	A	89.6	Confident	89.6	Confident	69 Å²	69	83.3 Å²	83.3	57%	0.57	41%	0.408	S	S	*	.	G	3₁₀ helix	trans	-67.4	-20.5	177.1	0	0	0	0	0	112.5	E241 D245 E246	E241-A243 PolarHBondContact O-N 3.48Å; A243-D245 PolarHBondContact O-N 3.32Å; A243-E246 PolarHBondContact O-N 2.91Å
244	S	87.9	Confident	89.6	Confident	49 Å²	49	81.1 Å²	81.1	34%	0.343	40%	0.397	S	S	.	.	G	3₁₀ helix	trans	-67.8	-23.8	179.3	-40.8	0	0	0	0	112.1	D242 E246 F247 R248	D242-S244 PolarHBondContact O-N 3.48Å; D242-S244 WeakPolarHBondContact OD1-CB 3.46Å; D242-S244 PolarHBondContact OD1-N 2.88Å; D242-S244 PolarHBondContact OD1-OG 2.88Å; S244-E246 PolarHBondContact O-N 2.89Å; S244-E246 VanDerWaalsContact O-N 3.17Å; S244-F247 PolarHBondContact O-N 3.07Å; S244-R248 WeakPolarHBondContact O-CG 3.45Å; S244-R248 PolarHBondContact O-N 2.64Å
245	D	85.8	Confident	89.6	Confident	3 Å²	3	82.2 Å²	82.2	2%	0.016	40%	0.398	C	S	.	.	G	3₁₀ helix	trans	-61.8	-20.7	178.3	-91.9	22.5	0	0	0	113	D242 A243 F247 R248 S594 P595 N596	D242-D245 WeakPolarHBondContact O-CB 3.34Å; D242-D245 PolarHBondContact O-N 2.96Å; A243-D245 PolarHBondContact O-N 3.32Å; D245-F247 PolarHBondContact O-N 3.25Å; D245-R248 IonicContact OD1-NH1 3.92Å; D245-S594 WeakPolarHBondContact OD2-CB 3.44Å; D245-S594 PolarHBondContact OD2-OG 3.36Å; D245-P595 HydrophobicContact CB-CG 4.48Å; D245-P595 VanDerWaalsContact OD2-CD 3.29Å; D245-P595 WeakPolarHBondContact OD2-CD 3.38Å; D245-N596 HydrophobicContact CB-CB 4.49Å; D245-N596 WeakPolarHBondContact CB-ND2 3.49Å; D245-N596 VanDerWaalsContact CG-CG 3.48Å; D245-N596 PolarHBondContact O-ND2 2.74Å; D245-N596 PolarHBondContact O-OD1 3.39Å; D245-N596 VanDerWaalsContact OD2-CB 3.23Å; D245-N596 WeakPolarHBondContact OD2-CB 3.47Å; D245-N596 PolarHBondContact OD2-N 2.97Å
246	E	84.4	Confident	89.6	Confident	161 Å²	161	81.4 Å²	81.4	75%	0.752	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-66.5	-25.8	172.2	-63.4	-167.5	161.3	0	0	112.6	A243 S244	A243-E246 PolarHBondContact O-N 2.91Å; S244-E246 PolarHBondContact O-N 2.89Å; S244-E246 VanDerWaalsContact O-N 3.17Å
247	F	86.4	Confident	89.6	Confident	171 Å²	171	79.1 Å²	79.1	75%	0.75	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.8	-9.6	-176.9	-54.9	-80	0	0	0	113.5	S244 D245 D249	S244-F247 PolarHBondContact O-N 3.07Å; D245-F247 PolarHBondContact O-N 3.25Å; F247-D249 VanDerWaalsContact C-N 3.33Å; F247-D249 PolarHBondContact O-N 3.01Å
248	R	80.6	Confident	89.6	Confident	97 Å²	97	78.2 Å²	78.2	37%	0.366	39%	0.385	S	S	.	.	S	Bend	trans	-93.5	24	-177.8	-69.4	179.1	-179.6	155.4	3	114	D242 S244 D245 Q250 E251 T253	D242-R248 IonicContact OD2-NH1 3.06Å; D242-R248 PolarHBondContact OD2-NH1 2.9Å; S244-R248 WeakPolarHBondContact O-CG 3.45Å; S244-R248 PolarHBondContact O-N 2.64Å; D245-R248 IonicContact OD1-NH1 3.92Å; R248-Q250 PolarHBondContact O-N 3.43Å; R248-E251 PolarHBondContact O-N 3.18Å; R248-T253 PolarHBondContact NH1-OG1 3.36Å
249	D	81.2	Confident	89.7	Confident	141 Å²	141	76.3 Å²	76.3	75%	0.754	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.5	-101.7	-177.1	-68.2	-39.8	0	0	0	113.6	F247	F247-D249 VanDerWaalsContact C-N 3.33Å; F247-D249 PolarHBondContact O-N 3.01Å
250	Q	82.3	Confident	89.8	Confident	117 Å²	117	67.5 Å²	67.5	55%	0.547	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110	-13.3	-177.5	-65.6	-175.9	0.6	0	0	113	R248 I549 I555	R248-Q250 PolarHBondContact O-N 3.43Å; Q250-I549 HydrophobicContact CB-CG2 3.97Å; Q250-I549 HydrophobicContact CG-CG2 3.99Å; Q250-I555 WeakPolarHBondContact O-CG2 3.27Å
251	E	87.1	Confident	89.8	Confident	128 Å²	128	66.6 Å²	66.6	60%	0.598	35%	0.345	S	S	*	.			trans	-74.4	147.2	-179	-64.6	-174.7	173.1	0	0	111.3	R248 I555 N596	R248-E251 PolarHBondContact O-N 3.18Å; E251-I555 WeakPolarHBondContact CA-O 3.44Å; E251-N596 PolarHBondContact O-ND2 3.34Å
252	G	89.3	Confident	89.9	Confident	6 Å²	6	63.8 Å²	63.8	6%	0.062	33%	0.331	C	S	.	.			trans	-126.9	169.8	178	0	0	0	0	0	112.6	I555 C556 S594	G252-I555 PolarHBondContact N-O 3.28Å; G252-C556 VanDerWaalsContact O-CB 3.31Å; G252-C556 WeakPolarHBondContact O-CB 3.48Å; G252-C556 PolarHBondContact O-SG 3.48Å; G252-S594 WeakPolarHBondContact CA-OG 3.37Å
253	T	93.2	Very high	90	Very high	40 Å²	40	70.7 Å²	70.7	25%	0.245	36%	0.363	C	S	.	.			trans	-131.4	160	179.6	49.6	0	0	0	0	112.4	D242 R248 S594	D242-T253 PolarHBondContact OD2-OG1 3.21Å; R248-T253 PolarHBondContact NH1-OG1 3.36Å; T253-S594 PolarHBondContact N-OG 2.68Å; T253-S594 WeakPolarHBondContact O-CB 3.41Å; T253-S594 PolarHBondContact O-N 3.03Å; T253-S594 PolarHBondContact O-OG 3.27Å
254	L	94.5	Very high	90	Very high	4 Å²	4	74.3 Å²	74.3	2%	0.021	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	122	174	-54.2	173.1	0	0	0	109.3	P256 V542 V544 Q558 V560 I579 L591 K592 L593 L597	L254-P256 WeakPolarHBondContact O-CD 3.46Å; L254-V542 HydrophobicContact CD1-CB 3.77Å; L254-V542 HydrophobicContact CD1-CG1 3.69Å; L254-V544 HydrophobicContact CD2-CG2 4.2Å; L254-Q558 VanDerWaalsContact CA-OE1 3.32Å; L254-Q558 HydrophobicContact CD1-CB 4.5Å; L254-Q558 PolarHBondContact O-NE2 2.92Å; L254-Q558 PolarHBondContact O-OE1 2.84Å; L254-Q558 VanDerWaalsContact O-OE1 3.12Å; L254-V560 HydrophobicContact CD1-CG2 4.45Å; L254-I579 HydrophobicContact CD1-CD1 4.28Å; L254-I579 HydrophobicContact CD2-CD1 4.17Å; L254-L591 HydrophobicContact CB-CB 4.28Å; L254-L591 HydrophobicContact CD1-CD1 4.04Å; L254-K592 WeakPolarHBondContact CA-O 3.45Å; L254-L593 HydrophobicContact CD2-CD2 3.54Å; L254-L597 HydrophobicContact CD2-CD1 3.72Å
255	L	94.8	Very high	90.1	Very high	54 Å²	54	72 Å²	72	28%	0.283	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	116	173.9	176.1	70.8	0	0	0	109	D236 F240 L257 L591 K592	D236-L255 HydrophobicContact CB-CD2 4.28Å; F240-L255 HydrophobicContact CD1-CD2 3.65Å; F240-L255 HydrophobicContact CE1-CD2 3.89Å; L255-L257 HydrophobicContact CD2-CD2 4.09Å; L255-L257 HydrophobicContact CG-CD2 4.38Å; L255-L257 PolarHBondContact O-N 3.28Å; L255-L591 CarbonylContact O-C 3.54Å; L255-L591 WeakPolarHBondContact O-CA 3.34Å; L255-K592 HydrophobicContact CB-CB 4.29Å; L255-K592 PolarHBondContact N-O 3.13Å; L255-K592 PolarHBondContact O-N 3.37Å
256	P	94.4	Very high	90.2	Very high	78 Å²	78	78.6 Å²	78.6	51%	0.506	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	131.2	173.4	28.1	-33.7	0	0	0	111.4	L254 L591	L254-P256 WeakPolarHBondContact O-CD 3.46Å; P256-L591 HydrophobicContact CB-CD2 3.96Å
257	L	94.7	Very high	90.4	Very high	13 Å²	13	77.3 Å²	77.3	7%	0.068	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	-109.4	178.4	-63.8	178.2	0	0	0	109.6	I233 D236 F237 L255 I578 S590 K592	I233-L257 HydrophobicContact CG2-CB 3.78Å; I233-L257 HydrophobicContact CG2-CD2 3.99Å; I233-L257 HydrophobicContact CG2-CG 4.47Å; D236-L257 HydrophobicContact CB-CD2 4.12Å; F237-L257 HydrophobicContact CB-CD1 3.92Å; F237-L257 HydrophobicContact CD2-CD1 3.86Å; F237-L257 HydrophobicContact CG-CD1 4.37Å; L255-L257 HydrophobicContact CD2-CD2 4.09Å; L255-L257 HydrophobicContact CG-CD2 4.38Å; L255-L257 PolarHBondContact O-N 3.28Å; L257-I578 HydrophobicContact CD1-CG2 4.11Å; L257-S590 PolarHBondContact N-O 3.27Å; L257-K592 HydrophobicContact CD1-CB 3.81Å; L257-K592 HydrophobicContact CG-CB 4.11Å
258	W	95.2	Very high	90.7	Very high	13 Å²	13	69.3 Å²	69.3	5%	0.049	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	150.7	-177.9	-61.3	-79.3	0	0	0	113.2	I233 A234 F237 F260 L305 S590	I233-W258 HydrophobicContact CG2-CD2 3.79Å; I233-W258 HydrophobicContact CG2-CE3 4.4Å; I233-W258 HydrophobicContact CG2-CG 4.07Å; I233-W258 HydrophobicContact CG2-CZ2 3.96Å; A234-W258 HydrophobicContact CB-CZ2 4.22Å; F237-W258 HydrophobicContact CB-CH2 3.33Å; F237-W258 HydrophobicContact CB-CZ2 4.27Å; F237-W258 HydrophobicContact CB-CZ3 3.77Å; F237-W258 AromaticContact CD1-CH2 3.78Å; F237-W258 HydrophobicContact CD1-CH2 3.78Å; F237-W258 HydrophobicContact CD1-CZ3 4.35Å; F237-W258 AromaticContact CD2-CH2 4Å; F237-W258 HydrophobicContact CD2-CH2 4Å; F237-W258 AromaticContact CD2-CZ3 3.76Å; F237-W258 HydrophobicContact CD2-CZ3 3.76Å; F237-W258 HydrophobicContact CE2-CZ3 4.44Å; F237-W258 AromaticContact CG-CH2 3.42Å; F237-W258 HydrophobicContact CG-CH2 3.42Å; F237-W258 VanDerWaalsContact CG-CH2 3.42Å; F237-W258 AromaticContact CG-CZ3 3.7Å; F237-W258 HydrophobicContact CG-CZ3 3.7Å; W258-F260 HydrophobicContact CB-CD2 4.32Å; W258-F260 HydrophobicContact CB-CE1 4.4Å; W258-F260 HydrophobicContact CB-CE2 3.54Å; W258-F260 HydrophobicContact CB-CZ 3.56Å; W258-F260 HydrophobicContact CG-CZ 4.15Å; W258-L305 HydrophobicContact CE3-CD2 4.07Å; W258-L305 HydrophobicContact CZ3-CD2 4.23Å; W258-S590 PolarHBondContact O-N 3.04Å
259	T	94.3	Very high	91.4	Very high	78 Å²	78	65.3 Å²	65.3	48%	0.479	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	122.2	167.7	-58.2	0	0	0	0	108.1	T587 V588	T259-T587 HydrophobicContact CG2-CG2 3.23Å; T259-V588 CarbonylContact C-O 3.45Å; T259-V588 WeakPolarHBondContact CA-O 3.22Å
260	F	95.5	Very high	92.1	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	120.6	-179.8	-55.2	-92.7	0	0	0	108.8	W258 F283 F303 L305 S308 T587 V588	W258-F260 HydrophobicContact CB-CD2 4.32Å; W258-F260 HydrophobicContact CB-CE1 4.4Å; W258-F260 HydrophobicContact CB-CE2 3.54Å; W258-F260 HydrophobicContact CB-CZ 3.56Å; W258-F260 HydrophobicContact CG-CZ 4.15Å; F260-F283 HydrophobicContact CB-CZ 4.46Å; F260-F283 HydrophobicContact CD1-CE1 4.45Å; F260-F283 HydrophobicContact CD1-CZ 4.03Å; F260-F283 HydrophobicContact CD2-CE1 4.39Å; F260-F283 AromaticContact CD2-CZ 3.7Å; F260-F283 HydrophobicContact CD2-CZ 3.7Å; F260-F283 HydrophobicContact CE1-CE1 4.18Å; F260-F283 HydrophobicContact CE1-CZ 4.19Å; F260-F283 HydrophobicContact CE2-CE1 4.14Å; F260-F283 AromaticContact CE2-CZ 3.89Å; F260-F283 HydrophobicContact CE2-CZ 3.89Å; F260-F283 AromaticContact CG-CZ 3.8Å; F260-F283 HydrophobicContact CG-CZ 3.8Å; F260-F283 HydrophobicContact CZ-CE1 4.05Å; F260-F283 HydrophobicContact CZ-CZ 4.16Å; F260-F303 HydrophobicContact CB-CD1 3.95Å; F260-F303 HydrophobicContact CB-CD2 4.2Å; F260-F303 HydrophobicContact CB-CE1 4.03Å; F260-F303 HydrophobicContact CB-CE2 4.28Å; F260-F303 HydrophobicContact CB-CG 4.01Å; F260-F303 HydrophobicContact CB-CZ 4.18Å; F260-F303 HydrophobicContact CD1-CB 3.82Å; F260-F303 AromaticContact CD1-CD1 3.76Å; F260-F303 HydrophobicContact CD1-CD1 3.76Å; F260-F303 AromaticContact CD1-CG 3.93Å; F260-F303 HydrophobicContact CD1-CG 3.93Å; F260-F303 HydrophobicContact CE1-CB 4.34Å; F260-F303 HydrophobicContact CG-CB 4.36Å; F260-F303 HydrophobicContact CG-CD1 4.29Å; F260-F303 HydrophobicContact CG-CG 4.26Å; F260-L305 HydrophobicContact CE2-CD2 4.35Å; F260-L305 HydrophobicContact CZ-CD2 3.65Å; F260-S308 VanDerWaalsContact CE1-CA 3.49Å; F260-T587 WeakPolarHBondContact O-CA 3.39Å; F260-V588 HydrophobicContact CB-CB 4.28Å; F260-V588 HydrophobicContact CD2-CB 4.49Å; F260-V588 WeakPolarHBondContact CD2-O 3.34Å; F260-V588 PolarHBondContact N-O 3.36Å; F260-V588 PolarHBondContact O-N 3.23Å
261	Q	93.3	Very high	92.7	Very high	64 Å²	64	53.1 Å²	53.1	30%	0.299	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	135.2	178	-175.3	166.2	51.5	0	0	110	R585 T587	Q261-R585 PolarHBondContact NE2-O 3.01Å; Q261-T587 HydrophobicContact CB-CG2 4.29Å; Q261-T587 PolarHBondContact NE2-OG1 3.42Å
262	Y	94.5	Very high	93.1	Very high	24 Å²	24	47.4 Å²	47.4	9%	0.094	23%	0.233	C	C	.	.			trans	-105.9	121.5	171.4	-178.5	-127.3	0	0	0	109.9	K264 A265 M299 L301 F310 P311 I314	Y262-K264 VanDerWaalsContact C-N 3.27Å; Y262-K264 HydrophobicContact CD1-CB 4.11Å; Y262-K264 HydrophobicContact CE1-CB 3.64Å; Y262-K264 HydrophobicContact CE1-CD 4.19Å; Y262-K264 HydrophobicContact CE1-CG 4.04Å; Y262-K264 HydrophobicContact CE2-CG 4.49Å; Y262-K264 PolarHBondContact O-N 3.31Å; Y262-K264 VanDerWaalsContact O-N 3.15Å; Y262-K264 WeakPolarHBondContact OH-CD 3.28Å; Y262-A265 HydrophobicContact CD1-CB 4.01Å; Y262-A265 WeakPolarHBondContact O-CB 3.29Å; Y262-A265 PolarHBondContact O-N 2.89Å; Y262-M299 HydrophobicContact CD1-SD 4.19Å; Y262-M299 HydrophobicContact CE1-SD 4.11Å; Y262-L301 HydrophobicContact CD1-CD1 4.26Å; Y262-L301 HydrophobicContact CD1-CD2 4.23Å; Y262-L301 HydrophobicContact CG-CD1 4.39Å; Y262-F310 HydrophobicContact CD2-CE2 4.43Å; Y262-F310 HydrophobicContact CE2-CD2 4.48Å; Y262-F310 AromaticContact CE2-CE2 3.84Å; Y262-F310 HydrophobicContact CE2-CE2 3.84Å; Y262-F310 HydrophobicContact CE2-CZ 4.4Å; Y262-P311 HydrophobicContact CD2-CG 4.12Å; Y262-P311 HydrophobicContact CG-CG 4.13Å; Y262-I314 HydrophobicContact CE1-CD1 4.38Å; Y262-I314 HydrophobicContact CE1-CG2 4.37Å; Y262-I314 HydrophobicContact CE2-CD1 4.12Å
263	E	90.6	Very high	93.5	Very high	175 Å²	175	47.6 Å²	47.6	82%	0.818	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-56.3	-38.4	-170.2	-66.3	-172	157.5	0	0	113.6	A265 R266	E263-A265 PolarHBondContact O-N 2.93Å; E263-R266 WeakPolarHBondContact O-CB 3.5Å; E263-R266 PolarHBondContact O-N 2.94Å
264	K	90.1	Very high	93.7	Very high	145 Å²	145	46 Å²	46	63%	0.63	22%	0.223	S	C	*	.	G	3₁₀ helix	trans	-70.6	-19.6	-179.4	-54.8	-171.2	-170.6	165.2	0	113.3	Y262 H267 M299	Y262-K264 VanDerWaalsContact C-N 3.27Å; Y262-K264 HydrophobicContact CD1-CB 4.11Å; Y262-K264 HydrophobicContact CE1-CB 3.64Å; Y262-K264 HydrophobicContact CE1-CD 4.19Å; Y262-K264 HydrophobicContact CE1-CG 4.04Å; Y262-K264 HydrophobicContact CE2-CG 4.49Å; Y262-K264 PolarHBondContact O-N 3.31Å; Y262-K264 VanDerWaalsContact O-N 3.15Å; Y262-K264 WeakPolarHBondContact OH-CD 3.28Å; K264-H267 PolarHBondContact O-CE1 2.82Å; K264-H267 VanDerWaalsContact O-CE1 3.24Å; K264-H267 PolarHBondContact O-ND1 3.27Å; K264-M299 HydrophobicContact CB-CE 4.44Å
265	A	90.1	Very high	93.8	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-93.8	-3.1	-177.8	0	0	0	0	0	113.8	Y262 E263 H267 L268 L287 M299 L301 A586	Y262-A265 HydrophobicContact CD1-CB 4.01Å; Y262-A265 WeakPolarHBondContact O-CB 3.29Å; Y262-A265 PolarHBondContact O-N 2.89Å; E263-A265 PolarHBondContact O-N 2.93Å; A265-H267 PolarHBondContact O-N 3.15Å; A265-L268 WeakPolarHBondContact O-CB 3.28Å; A265-L268 PolarHBondContact O-N 2.91Å; A265-L287 HydrophobicContact CB-CD1 3.42Å; A265-L287 VanDerWaalsContact CB-CD1 3.42Å; A265-M299 HydrophobicContact CB-SD 4.09Å; A265-L301 HydrophobicContact CB-CD1 4.44Å; A265-A586 HydrophobicContact CB-CB 4.08Å; A265-A586 WeakPolarHBondContact O-CB 3.23Å
266	R	88.1	Confident	93.8	Very high	141 Å²	141	43.5 Å²	43.5	53%	0.532	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-18.8	-169.1	-167.1	175.9	-172.8	-176.2	5.8	116.4	E263	E263-R266 WeakPolarHBondContact O-CB 3.5Å; E263-R266 PolarHBondContact O-N 2.94Å
267	H	88.3	Confident	93.5	Very high	135 Å²	135	44.5 Å²	44.5	63%	0.625	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-5	178.7	63.3	-80.4	0	0	0	113.3	K264 A265	K264-H267 PolarHBondContact O-CE1 2.82Å; K264-H267 VanDerWaalsContact O-CE1 3.24Å; K264-H267 PolarHBondContact O-ND1 3.27Å; A265-H267 PolarHBondContact O-N 3.15Å
268	L	92.9	Very high	93.3	Very high	2 Å²	2	50.5 Å²	50.5	1%	0.01	24%	0.236	C	C	.	.	S	Bend	trans	-97.3	164	177.3	-56	177.1	0	0	0	110.3	A265 L287 A296 G297 M299 R585 A586	A265-L268 WeakPolarHBondContact O-CB 3.28Å; A265-L268 PolarHBondContact O-N 2.91Å; L268-L287 HydrophobicContact CB-CB 4.08Å; L268-L287 HydrophobicContact CD1-CB 3.87Å; L268-A296 HydrophobicContact CD2-CB 3.91Å; L268-G297 WeakPolarHBondContact CD2-O 3.44Å; L268-M299 HydrophobicContact CD1-CB 4.49Å; L268-M299 HydrophobicContact CD1-CG 4.2Å; L268-R585 CarbonylContact O-C 3.56Å; L268-R585 VanDerWaalsContact O-C 3.29Å; L268-R585 WeakPolarHBondContact O-CA 3.44Å; L268-A586 HydrophobicContact CB-CB 4.48Å; L268-A586 WeakPolarHBondContact O-CB 3.37Å; L268-A586 PolarHBondContact O-N 2.8Å
269	S	94	Very high	93.1	Very high	14 Å²	14	55.3 Å²	55.3	10%	0.098	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	149.1	172.6	-59.6	0	0	0	0	110.2	T271 L287 G288 D584	S269-T271 PolarHBondContact O-N 3.37Å; S269-L287 WeakPolarHBondContact O-CA 3.23Å; S269-G288 PolarHBondContact N-O 3.03Å; S269-G288 PolarHBondContact O-N 2.85Å; S269-D584 PolarHBondContact OG-O 3.38Å
270	V	96.1	Very high	92.9	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	119.6	166.6	-178.5	0	0	0	0	108.4	L273 V285 L287 T568 D583 V588	V270-L273 HydrophobicContact CG1-CD1 4.45Å; V270-L273 HydrophobicContact CG1-CD2 3.79Å; V270-L273 HydrophobicContact CG1-CG 3.92Å; V270-V285 HydrophobicContact CG1-CG1 3.98Å; V270-V285 HydrophobicContact CG2-CG1 4.19Å; V270-L287 HydrophobicContact CB-CD2 4.44Å; V270-L287 HydrophobicContact CG2-CD2 3.88Å; V270-T568 VanDerWaalsContact O-CB 3.29Å; V270-T568 WeakPolarHBondContact O-CB 3.48Å; V270-T568 PolarHBondContact O-OG1 2.92Å; V270-D583 WeakPolarHBondContact CB-O 3.46Å; V270-D583 WeakPolarHBondContact CG2-O 3.48Å; V270-D583 PolarHBondContact N-O 3Å; V270-V588 HydrophobicContact CG1-CG2 4.5Å; V270-V588 HydrophobicContact CG2-CG2 3.98Å
271	T	95.7	Very high	92.7	Very high	2 Å²	2	56.8 Å²	56.8	1%	0.012	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	-13.9	-177.1	55.7	0	0	0	0	113.3	S269 G286 Y290 I321 L322 H569	S269-T271 PolarHBondContact O-N 3.37Å; T271-G286 PolarHBondContact N-O 3.21Å; T271-G286 PolarHBondContact OG1-O 3.01Å; T271-G286 VanDerWaalsContact OG1-O 3.11Å; T271-Y290 VanDerWaalsContact CA-OH 3.27Å; T271-Y290 WeakPolarHBondContact CA-OH 3.29Å; T271-Y290 HydrophobicContact CG2-CD2 4.2Å; T271-Y290 HydrophobicContact CG2-CE1 4.44Å; T271-Y290 HydrophobicContact CG2-CE2 3.64Å; T271-Y290 PolarHBondContact O-OH 3.26Å; T271-I321 VanDerWaalsContact CB-O 3.3Å; T271-I321 WeakPolarHBondContact CB-O 3.38Å; T271-I321 WeakPolarHBondContact CG2-O 3.4Å; T271-I321 PolarHBondContact OG1-O 2.99Å; T271-L322 HydrophobicContact CG2-CD2 4.27Å; T271-H569 VanDerWaalsContact C-NE2 3.31Å; T271-H569 PolarHBondContact O-CD2 3.16Å; T271-H569 PolarHBondContact O-CE1 2.95Å; T271-H569 PolarHBondContact O-NE2 3.02Å
272	A	96.4	Very high	92.8	Very high	8 Å²	8	54.5 Å²	54.5	7%	0.066	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	143.9	175.8	0	0	0	0	0	111.1	G286 L324	A272-G286 PolarHBondContact N-O 3.19Å; A272-G286 PolarHBondContact O-N 2.62Å; A272-L324 HydrophobicContact CB-CB 4.42Å; A272-L324 HydrophobicContact CB-CD2 3.8Å; A272-L324 HydrophobicContact CB-CG 3.66Å
273	L	97.2	Very high	92.9	Very high	10 Å²	10	53.3 Å²	53.3	5%	0.052	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	142.4	173.8	-66.4	175.4	0	0	0	108.7	V270 V285 H569 E571 I580 V588	V270-L273 HydrophobicContact CG1-CD1 4.45Å; V270-L273 HydrophobicContact CG1-CD2 3.79Å; V270-L273 HydrophobicContact CG1-CG 3.92Å; L273-V285 HydrophobicContact CD2-CB 4.31Å; L273-V285 HydrophobicContact CD2-CG1 4.08Å; L273-V285 HydrophobicContact CD2-CG2 3.84Å; L273-H569 HydrophobicContact CD1-CB 3.82Å; L273-H569 HydrophobicContact CG-CB 4.04Å; L273-E571 HydrophobicContact CB-CB 4.16Å; L273-I580 HydrophobicContact CB-CD1 4.35Å; L273-I580 HydrophobicContact CD1-CD1 4.29Å; L273-I580 HydrophobicContact CD1-CG1 4.27Å; L273-I580 HydrophobicContact CD2-CD1 4.33Å; L273-V588 HydrophobicContact CD2-CG1 4.35Å; L273-V588 HydrophobicContact CD2-CG2 3.89Å
274	C	96.6	Very high	93.3	Very high	7 Å²	7	45 Å²	45	5%	0.047	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	129.7	171.7	-174.8	0	0	0	0	110.4	F283 A284 L324 I326	C274-F283 CarbonylContact O-C 3.56Å; C274-F283 WeakPolarHBondContact O-CA 3.4Å; C274-F283 WeakPolarHBondContact O-CB 3.35Å; C274-A284 PolarHBondContact N-O 3.01Å; C274-A284 VanDerWaalsContact N-O 3.16Å; C274-A284 PolarHBondContact O-N 3.28Å; C274-L324 HydrophobicContact CB-CD1 3.2Å; C274-I326 HydrophobicContact CB-CD1 4.45Å; C274-I326 HydrophobicContact CB-CG1 4.3Å
275	W	96.6	Very high	93.6	Very high	4 Å²	4	38.1 Å²	38.1	2%	0.015	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	150.9	171.4	-77.3	103.6	0	0	0	111.9	Q280 F283 L305 E571 N573 P574 I578 I580	W275-Q280 WeakPolarHBondContact CZ3-O 3.48Å; W275-F283 HydrophobicContact CD2-CB 3.87Å; W275-F283 HydrophobicContact CE3-CB 3.69Å; W275-F283 HydrophobicContact CE3-CD1 4.21Å; W275-F283 HydrophobicContact CE3-CG 4.37Å; W275-F283 HydrophobicContact CG-CB 4.41Å; W275-F283 HydrophobicContact CH2-CB 4.48Å; W275-F283 AromaticContact CH2-CD1 3.64Å; W275-F283 HydrophobicContact CH2-CD1 3.64Å; W275-F283 HydrophobicContact CH2-CE1 4.23Å; W275-F283 HydrophobicContact CH2-CG 4.32Å; W275-F283 HydrophobicContact CZ2-CD1 4.28Å; W275-F283 HydrophobicContact CZ3-CB 4.01Å; W275-F283 AromaticContact CZ3-CD1 3.61Å; W275-F283 HydrophobicContact CZ3-CD1 3.61Å; W275-F283 HydrophobicContact CZ3-CG 4.21Å; W275-L305 HydrophobicContact CH2-CD1 4.42Å; W275-L305 HydrophobicContact CH2-CD2 4.2Å; W275-L305 HydrophobicContact CH2-CG 4.39Å; W275-E571 VanDerWaalsContact CD1-CG 3.42Å; W275-E571 HydrophobicContact CG-CG 4.46Å; W275-N573 HydrophobicContact CD2-CB 4.42Å; W275-N573 WeakPolarHBondContact CH2-ND2 3.15Å; W275-N573 HydrophobicContact CZ2-CB 4.05Å; W275-N573 WeakPolarHBondContact CZ3-ND2 3.29Å; W275-P574 HydrophobicContact CB-CG 4.08Å; W275-I578 HydrophobicContact CH2-CD1 4.05Å; W275-I578 HydrophobicContact CZ2-CD1 4.08Å; W275-I580 HydrophobicContact CD2-CD1 4.47Å; W275-I580 HydrophobicContact CH2-CG2 4.36Å; W275-I580 HydrophobicContact CZ2-CB 4.43Å; W275-I580 HydrophobicContact CZ2-CD1 3.9Å; W275-I580 HydrophobicContact CZ2-CG1 4.05Å; W275-I580 HydrophobicContact CZ2-CG2 3.6Å
276	N	94.6	Very high	94	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.005	17%	0.174	C	C	.	.			trans	-80.4	131.8	168.6	-161.8	-42.4	0	0	0	110.7	K278 L282 I326 S331	N276-K278 VanDerWaalsContact C-N 3.34Å; N276-K278 PolarHBondContact O-N 2.88Å; N276-K278 PolarHBondContact OD1-N 2.91Å; N276-L282 HydrophobicContact CB-CB 4.23Å; N276-L282 VanDerWaalsContact CB-O 3.27Å; N276-L282 WeakPolarHBondContact CB-O 3.34Å; N276-L282 PolarHBondContact N-O 3.38Å; N276-I326 HydrophobicContact CB-CD1 4.24Å; N276-S331 WeakPolarHBondContact ND2-CB 3.11Å; N276-S331 PolarHBondContact ND2-O 3.29Å; N276-S331 VanDerWaalsContact OD1-CB 3.29Å; N276-S331 WeakPolarHBondContact OD1-CB 3.45Å; N276-S331 PolarHBondContact OD1-OG 2.81Å
277	N	88.2	Confident	94.4	Very high	98 Å²	98	31.4 Å²	31.4	52%	0.524	15%	0.149	S	C	.	.	S	Bend	trans	-70.9	-27.3	179.6	-73.3	2.8	0	0	0	113.5
278	K	90.2	Very high	94.6	Very high	139 Å²	139	25 Å²	25	60%	0.604	12%	0.119	S	C	*	.	S	Bend	trans	-91.2	-43.5	-179.2	-170.4	179.7	-179.8	179.2	0	112.3	N276 S331	N276-K278 VanDerWaalsContact C-N 3.34Å; N276-K278 PolarHBondContact O-N 2.88Å; N276-K278 PolarHBondContact OD1-N 2.91Å; K278-S331 WeakPolarHBondContact CB-OG 3.37Å
279	Y	91	Very high	94.6	Very high	115 Å²	115	25.7 Å²	25.7	45%	0.451	12%	0.124	S	C	.	.			trans	-102.8	108	-176.9	-60.8	-68.1	0	0	0	109.7	D281 L282	Y279-D281 PolarHBondContact O-N 2.88Å; Y279-L282 HydrophobicContact CD2-CD2 4.31Å; Y279-L282 PolarHBondContact O-N 3.37Å
280	Q	90.3	Very high	94.2	Very high	79 Å²	79	29.1 Å²	29.1	37%	0.369	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-13.2	-170.4	-53.2	177.3	8	0	0	113.6	W275 N573 I575 H576	W275-Q280 WeakPolarHBondContact CZ3-O 3.48Å; Q280-N573 PolarHBondContact O-ND2 2.9Å; Q280-I575 VanDerWaalsContact CD-CD1 3.42Å; Q280-I575 HydrophobicContact CG-CD1 3.83Å; Q280-H576 PolarHBondContact OE1-NE2 3.36Å
281	D	92.9	Very high	93.7	Very high	30 Å²	30	32.7 Å²	32.7	16%	0.16	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.3	-10.8	-178.4	59.3	-29.9	0	0	0	113.1	Y279 S304 L305 K306	Y279-D281 PolarHBondContact O-N 2.88Å; D281-S304 CarbonylContact O-C 3.57Å; D281-S304 WeakPolarHBondContact O-CA 3.41Å; D281-S304 PolarHBondContact OD2-OG 2.7Å; D281-L305 HydrophobicContact CB-CB 3.99Å; D281-L305 HydrophobicContact CB-CD1 4.37Å; D281-L305 HydrophobicContact CB-CG 4.17Å; D281-L305 PolarHBondContact O-N 2.72Å; D281-K306 WeakPolarHBondContact OD2-CD 3.33Å; D281-K306 WeakPolarHBondContact OD2-CE 3.36Å; D281-K306 IonicContact OD2-NZ 3.52Å; D281-K306 PolarHBondContact OD2-NZ 3.48Å
282	L	94.9	Very high	93.1	Very high	15 Å²	15	40.6 Å²	40.6	8%	0.079	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	130.2	-173.8	-173.8	69.3	0	0	0	111	N276 Y279 F302 F303	N276-L282 HydrophobicContact CB-CB 4.23Å; N276-L282 VanDerWaalsContact CB-O 3.27Å; N276-L282 WeakPolarHBondContact CB-O 3.34Å; N276-L282 PolarHBondContact N-O 3.38Å; Y279-L282 HydrophobicContact CD2-CD2 4.31Å; Y279-L282 PolarHBondContact O-N 3.37Å; L282-F302 HydrophobicContact CD1-CB 4.06Å; L282-F302 HydrophobicContact CD1-CD1 4.48Å; L282-F302 HydrophobicContact CG-CD1 4.48Å; L282-F303 WeakPolarHBondContact CA-O 3.25Å
283	F	97	Very high	92.2	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	150.9	173.2	62.4	-82.7	0	0	0	111.5	F260 C274 W275 V285 F302 F303 L305 I580 V588	F260-F283 HydrophobicContact CB-CZ 4.46Å; F260-F283 HydrophobicContact CD1-CE1 4.45Å; F260-F283 HydrophobicContact CD1-CZ 4.03Å; F260-F283 HydrophobicContact CD2-CE1 4.39Å; F260-F283 AromaticContact CD2-CZ 3.7Å; F260-F283 HydrophobicContact CD2-CZ 3.7Å; F260-F283 HydrophobicContact CE1-CE1 4.18Å; F260-F283 HydrophobicContact CE1-CZ 4.19Å; F260-F283 HydrophobicContact CE2-CE1 4.14Å; F260-F283 AromaticContact CE2-CZ 3.89Å; F260-F283 HydrophobicContact CE2-CZ 3.89Å; F260-F283 AromaticContact CG-CZ 3.8Å; F260-F283 HydrophobicContact CG-CZ 3.8Å; F260-F283 HydrophobicContact CZ-CE1 4.05Å; F260-F283 HydrophobicContact CZ-CZ 4.16Å; C274-F283 CarbonylContact O-C 3.56Å; C274-F283 WeakPolarHBondContact O-CA 3.4Å; C274-F283 WeakPolarHBondContact O-CB 3.35Å; W275-F283 HydrophobicContact CD2-CB 3.87Å; W275-F283 HydrophobicContact CE3-CB 3.69Å; W275-F283 HydrophobicContact CE3-CD1 4.21Å; W275-F283 HydrophobicContact CE3-CG 4.37Å; W275-F283 HydrophobicContact CG-CB 4.41Å; W275-F283 HydrophobicContact CH2-CB 4.48Å; W275-F283 AromaticContact CH2-CD1 3.64Å; W275-F283 HydrophobicContact CH2-CD1 3.64Å; W275-F283 HydrophobicContact CH2-CE1 4.23Å; W275-F283 HydrophobicContact CH2-CG 4.32Å; W275-F283 HydrophobicContact CZ2-CD1 4.28Å; W275-F283 HydrophobicContact CZ3-CB 4.01Å; W275-F283 AromaticContact CZ3-CD1 3.61Å; W275-F283 HydrophobicContact CZ3-CD1 3.61Å; W275-F283 HydrophobicContact CZ3-CG 4.21Å; F283-V285 HydrophobicContact CD2-CG2 3.64Å; F283-V285 HydrophobicContact CE2-CG2 3.49Å; F283-V285 VanDerWaalsContact CE2-CG2 3.49Å; F283-F302 WeakPolarHBondContact O-CA 3.47Å; F283-F303 HydrophobicContact CD1-CB 4.36Å; F283-F303 WeakPolarHBondContact CD1-O 3.4Å; F283-F303 HydrophobicContact CD2-CB 4.48Å; F283-F303 HydrophobicContact CE1-CB 3.69Å; F283-F303 HydrophobicContact CE2-CB 3.83Å; F283-F303 HydrophobicContact CE2-CD2 4.21Å; F283-F303 HydrophobicContact CE2-CG 4.44Å; F283-F303 HydrophobicContact CZ-CB 3.39Å; F283-F303 HydrophobicContact CZ-CD2 4.41Å; F283-F303 HydrophobicContact CZ-CG 4.21Å; F283-F303 PolarHBondContact N-O 2.87Å; F283-F303 PolarHBondContact O-N 3.27Å; F283-L305 HydrophobicContact CE1-CD2 4.49Å; F283-I580 HydrophobicContact CB-CD1 4.22Å; F283-I580 HydrophobicContact CD2-CD1 3.75Å; F283-I580 HydrophobicContact CE2-CD1 4.24Å; F283-I580 HydrophobicContact CG-CD1 3.98Å; F283-V588 HydrophobicContact CE2-CB 4.42Å; F283-V588 HydrophobicContact CE2-CG1 4.02Å; F283-V588 HydrophobicContact CZ-CG1 4.41Å
284	A	97.4	Very high	91.5	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	141.8	175.4	0	0	0	0	0	110.5	C274 L300 L301 F302 L324 I326	C274-A284 PolarHBondContact N-O 3.01Å; C274-A284 VanDerWaalsContact N-O 3.16Å; C274-A284 PolarHBondContact O-N 3.28Å; A284-L300 HydrophobicContact CB-CD1 4.46Å; A284-L301 CarbonylContact C-O 3.6Å; A284-L301 WeakPolarHBondContact CA-O 3.43Å; A284-F302 HydrophobicContact CB-CD1 3.99Å; A284-F302 HydrophobicContact CB-CE1 3.58Å; A284-F302 HydrophobicContact CB-CZ 3.97Å; A284-L324 HydrophobicContact CB-CD1 3.69Å; A284-L324 HydrophobicContact CB-CD2 4.1Å; A284-I326 HydrophobicContact CB-CD1 3.89Å; A284-I326 HydrophobicContact CB-CG1 4.25Å
285	V	97.8	Very high	90.7	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.006	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	118.2	176.2	-174	0	0	0	0	108.4	V270 L273 F283 L287 L301 F303 V588	V270-V285 HydrophobicContact CG1-CG1 3.98Å; V270-V285 HydrophobicContact CG2-CG1 4.19Å; L273-V285 HydrophobicContact CD2-CB 4.31Å; L273-V285 HydrophobicContact CD2-CG1 4.08Å; L273-V285 HydrophobicContact CD2-CG2 3.84Å; F283-V285 HydrophobicContact CD2-CG2 3.64Å; F283-V285 HydrophobicContact CE2-CG2 3.49Å; F283-V285 VanDerWaalsContact CE2-CG2 3.49Å; V285-L287 HydrophobicContact CG1-CD2 3.8Å; V285-L287 HydrophobicContact CG1-CG 4.21Å; V285-L301 HydrophobicContact CB-CB 4.42Å; V285-L301 PolarHBondContact N-O 3.07Å; V285-L301 PolarHBondContact O-N 3.17Å; V285-F303 HydrophobicContact CB-CD2 4.5Å; V285-F303 HydrophobicContact CG2-CD2 3.75Å; V285-F303 HydrophobicContact CG2-CE2 4.21Å; V285-V588 HydrophobicContact CG1-CG2 3.94Å; V285-V588 HydrophobicContact CG2-CG2 3.91Å
286	G	97.1	Very high	89.9	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	126.5	171.5	0	0	0	0	0	109.1	T271 A272	T271-G286 PolarHBondContact N-O 3.21Å; T271-G286 PolarHBondContact OG1-O 3.01Å; T271-G286 VanDerWaalsContact OG1-O 3.11Å; A272-G286 PolarHBondContact N-O 3.19Å; A272-G286 PolarHBondContact O-N 2.62Å
287	L	96.4	Very high	89.7	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	134.5	177.5	-58.5	174.1	0	0	0	110.7	A265 L268 S269 V270 V285 G298 M299 L301 I321 A586	A265-L287 HydrophobicContact CB-CD1 3.42Å; A265-L287 VanDerWaalsContact CB-CD1 3.42Å; L268-L287 HydrophobicContact CB-CB 4.08Å; L268-L287 HydrophobicContact CD1-CB 3.87Å; S269-L287 WeakPolarHBondContact O-CA 3.23Å; V270-L287 HydrophobicContact CB-CD2 4.44Å; V270-L287 HydrophobicContact CG2-CD2 3.88Å; V285-L287 HydrophobicContact CG1-CD2 3.8Å; V285-L287 HydrophobicContact CG1-CG 4.21Å; L287-G298 VanDerWaalsContact O-CA 3.23Å; L287-G298 WeakPolarHBondContact O-CA 3.4Å; L287-M299 HydrophobicContact CB-CB 4.33Å; L287-M299 VanDerWaalsContact CB-O 3.3Å; L287-M299 WeakPolarHBondContact CB-O 3.29Å; L287-M299 HydrophobicContact CD1-CB 4.05Å; L287-M299 PolarHBondContact N-O 2.99Å; L287-M299 PolarHBondContact O-N 3.37Å; L287-L301 HydrophobicContact CD1-CD1 3.42Å; L287-L301 VanDerWaalsContact CD1-CD1 3.42Å; L287-L301 HydrophobicContact CD1-CG 3.93Å; L287-L301 HydrophobicContact CG-CD1 4.46Å; L287-I321 PolarHBondContact O-N 3.21Å; L287-A586 HydrophobicContact CD1-CB 4.14Å; L287-A586 HydrophobicContact CD2-CB 3.63Å
288	G	94.2	Very high	89.9	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.6	-156.6	-179.5	0	0	0	0	0	112.1	S269	S269-G288 PolarHBondContact N-O 3.03Å; S269-G288 PolarHBondContact O-N 2.85Å
289	S	92	Very high	90.2	Very high	16 Å²	16	46.6 Å²	46.6	11%	0.112	25%	0.246	C	C	.	.			trans	-134.3	130.5	177.6	-174.1	0	0	0	0	110	D291 K294	S289-D291 PolarHBondContact OG-N 3.4Å; S289-D291 PolarHBondContact OG-O 3.48Å; S289-K294 WeakPolarHBondContact CB-O 3.37Å; S289-K294 PolarHBondContact OG-O 2.92Å
290	Y	86.6	Confident	90.5	Very high	87 Å²	87	41.1 Å²	41.1	34%	0.341	22%	0.224	S	C	.	.			trans	-87.1	-13.6	168.6	-69.1	-72.6	0	0	0	112.3	T271 F292 W371 T568 H569	T271-Y290 VanDerWaalsContact CA-OH 3.27Å; T271-Y290 WeakPolarHBondContact CA-OH 3.29Å; T271-Y290 HydrophobicContact CG2-CD2 4.2Å; T271-Y290 HydrophobicContact CG2-CE1 4.44Å; T271-Y290 HydrophobicContact CG2-CE2 3.64Å; T271-Y290 PolarHBondContact O-OH 3.26Å; Y290-F292 PolarHBondContact O-N 2.86Å; Y290-W371 HydrophobicContact CD1-CH2 4.47Å; Y290-W371 HydrophobicContact CD1-CZ3 4.1Å; Y290-W371 AromaticContact CE1-CZ3 3.88Å; Y290-W371 HydrophobicContact CE1-CZ3 3.88Å; Y290-T568 HydrophobicContact CE2-CG2 4.16Å; Y290-H569 PolarHBondContact OH-NE2 3.42Å
291	D	85.3	Confident	90.8	Very high	75 Å²	75	37.4 Å²	37.4	40%	0.401	21%	0.207	S	C	.	.			trans	-84.7	111.1	-176.2	-173.7	-5.9	0	0	0	109.5	S289 G293 K294 Q295	S289-D291 PolarHBondContact OG-N 3.4Å; S289-D291 PolarHBondContact OG-O 3.48Å; D291-G293 PolarHBondContact O-N 2.95Å; D291-G293 PolarHBondContact OD1-N 2.88Å; D291-K294 HydrophobicContact CB-CB 4.16Å; D291-K294 CarbonylContact O-C 3.55Å; D291-K294 PolarHBondContact O-N 2.91Å; D291-K294 WeakPolarHBondContact OD2-CD 3.4Å; D291-K294 IonicContact OD2-NZ 2.59Å; D291-Q295 PolarHBondContact O-NE2 3.03Å
292	F	81.5	Confident	90.9	Very high	168 Å²	168	36 Å²	36	74%	0.737	20%	0.199	S	C	*	.	G	3₁₀ helix	trans	-53.6	-35.5	177.3	-176.7	-95.6	0	0	0	112.5	Y290 K294 Y339	Y290-F292 PolarHBondContact O-N 2.86Å; F292-K294 VanDerWaalsContact C-N 3.33Å; F292-Y339 WeakPolarHBondContact CD2-OH 3.48Å
293	G	79.1	Confident	91	Very high	67 Å²	67	35.4 Å²	35.4	69%	0.691	20%	0.196	S	C	*	.	G	3₁₀ helix	trans	-79.3	-13.2	-179.8	0	0	0	0	0	114.4	D291	D291-G293 PolarHBondContact O-N 2.95Å; D291-G293 PolarHBondContact OD1-N 2.88Å
294	K	81.7	Confident	90.9	Very high	147 Å²	147	35.5 Å²	35.5	64%	0.639	20%	0.197	S	C	*	.	G	3₁₀ helix	trans	-129.2	57.9	-177.4	-62.6	178.7	-171.1	158.9	0	110.5	S289 D291 F292 A296	S289-K294 WeakPolarHBondContact CB-O 3.37Å; S289-K294 PolarHBondContact OG-O 2.92Å; D291-K294 HydrophobicContact CB-CB 4.16Å; D291-K294 CarbonylContact O-C 3.55Å; D291-K294 PolarHBondContact O-N 2.91Å; D291-K294 WeakPolarHBondContact OD2-CD 3.4Å; D291-K294 IonicContact OD2-NZ 2.59Å; F292-K294 VanDerWaalsContact C-N 3.33Å; K294-A296 PolarHBondContact O-N 3.12Å
295	Q	79.8	Confident	90.7	Very high	76 Å²	76	36.6 Å²	36.6	36%	0.355	20%	0.203	S	C	.	.			trans	-70.8	122.5	171.4	-67.1	-61.6	-18.4	0	0	109.7	D291 Y339	D291-Q295 PolarHBondContact O-NE2 3.03Å; Q295-Y339 HydrophobicContact CG-CD1 4.48Å; Q295-Y339 HydrophobicContact CG-CE1 4Å; Q295-Y339 VanDerWaalsContact NE2-CE2 3.26Å
296	A	80.2	Confident	90.4	Very high	36 Å²	36	41.7 Å²	41.7	30%	0.298	23%	0.225	S	C	.	.			trans	-126.6	170.1	177.9	0	0	0	0	0	109.6	L268 K294 G320	L268-A296 HydrophobicContact CD2-CB 3.91Å; K294-A296 PolarHBondContact O-N 3.12Å; A296-G320 PolarHBondContact O-N 3.08Å
297	G	89.9	Confident	90.2	Very high	33 Å²	33	42.3 Å²	42.3	34%	0.34	23%	0.228	S	C	.	.			trans	-59.9	163.6	168.3	0	0	0	0	0	111.7	L268 T317	L268-G297 WeakPolarHBondContact CD2-O 3.44Å; G297-T317 WeakPolarHBondContact CA-O 3.31Å
298	G	93.6	Very high	89.9	Confident	3 Å²	3	42.4 Å²	42.4	3%	0.031	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	173	177.5	0	0	0	0	0	112.4	L287 T317 S319	L287-G298 VanDerWaalsContact O-CA 3.23Å; L287-G298 WeakPolarHBondContact O-CA 3.4Å; G298-T317 WeakPolarHBondContact CA-OG1 3.42Å; G298-T317 PolarHBondContact N-O 3.42Å; G298-T317 PolarHBondContact N-OG1 3.22Å; G298-T317 PolarHBondContact O-N 3.13Å; G298-T317 PolarHBondContact O-OG1 3.2Å; G298-S319 WeakPolarHBondContact CA-O 3.48Å; G298-S319 PolarHBondContact N-O 3.28Å
299	M	95.6	Very high	89.7	Confident	31 Å²	31	45.1 Å²	45.1	15%	0.153	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	134.9	168.2	-65.2	-169.9	-169.8	0	0	109.9	Y262 K264 A265 L268 L287 L301 Y315	Y262-M299 HydrophobicContact CD1-SD 4.19Å; Y262-M299 HydrophobicContact CE1-SD 4.11Å; K264-M299 HydrophobicContact CB-CE 4.44Å; A265-M299 HydrophobicContact CB-SD 4.09Å; L268-M299 HydrophobicContact CD1-CB 4.49Å; L268-M299 HydrophobicContact CD1-CG 4.2Å; L287-M299 HydrophobicContact CB-CB 4.33Å; L287-M299 VanDerWaalsContact CB-O 3.3Å; L287-M299 WeakPolarHBondContact CB-O 3.29Å; L287-M299 HydrophobicContact CD1-CB 4.05Å; L287-M299 PolarHBondContact N-O 2.99Å; L287-M299 PolarHBondContact O-N 3.37Å; M299-L301 HydrophobicContact CB-CD2 4.32Å; M299-L301 HydrophobicContact CB-CG 4.41Å; M299-Y315 WeakPolarHBondContact CA-O 3.39Å
300	L	96.6	Very high	89.8	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	118.6	166.4	173.7	71.1	0	0	0	107.9	A284 F302 Y315 I321 L324 V336 Y346	A284-L300 HydrophobicContact CB-CD1 4.46Å; L300-F302 HydrophobicContact CD1-CE2 4.09Å; L300-F302 HydrophobicContact CD1-CZ 4.32Å; L300-F302 HydrophobicContact CD2-CE2 3.67Å; L300-F302 HydrophobicContact CD2-CZ 4.12Å; L300-F302 HydrophobicContact CG-CD2 4.41Å; L300-F302 HydrophobicContact CG-CE2 3.63Å; L300-F302 HydrophobicContact CG-CZ 4.27Å; L300-Y315 HydrophobicContact CD2-CD2 4.02Å; L300-Y315 HydrophobicContact CG-CD2 4.34Å; L300-Y315 PolarHBondContact N-O 3.48Å; L300-Y315 PolarHBondContact O-N 2.91Å; L300-I321 HydrophobicContact CB-CD1 3.61Å; L300-L324 HydrophobicContact CD1-CD2 3.89Å; L300-V336 HydrophobicContact CD1-CG2 4.42Å; L300-V336 HydrophobicContact CD2-CG2 4.03Å; L300-Y346 HydrophobicContact CD2-CD2 3.95Å; L300-Y346 HydrophobicContact CD2-CE2 4.43Å; L300-Y346 HydrophobicContact CD2-CG 4.1Å
301	L	96.3	Very high	90.1	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.005	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	145.1	-179.8	-56.9	-178.9	0	0	0	110	Y262 A265 A284 V285 L287 M299 F303 P311 H313 I314	Y262-L301 HydrophobicContact CD1-CD1 4.26Å; Y262-L301 HydrophobicContact CD1-CD2 4.23Å; Y262-L301 HydrophobicContact CG-CD1 4.39Å; A265-L301 HydrophobicContact CB-CD1 4.44Å; A284-L301 CarbonylContact C-O 3.6Å; A284-L301 WeakPolarHBondContact CA-O 3.43Å; V285-L301 HydrophobicContact CB-CB 4.42Å; V285-L301 PolarHBondContact N-O 3.07Å; V285-L301 PolarHBondContact O-N 3.17Å; L287-L301 HydrophobicContact CD1-CD1 3.42Å; L287-L301 VanDerWaalsContact CD1-CD1 3.42Å; L287-L301 HydrophobicContact CD1-CG 3.93Å; L287-L301 HydrophobicContact CG-CD1 4.46Å; M299-L301 HydrophobicContact CB-CD2 4.32Å; M299-L301 HydrophobicContact CB-CG 4.41Å; L301-F303 HydrophobicContact CB-CD2 4.33Å; L301-F303 HydrophobicContact CB-CE2 3.93Å; L301-F303 HydrophobicContact CD1-CE2 3.85Å; L301-F303 HydrophobicContact CD1-CZ 4.06Å; L301-P311 HydrophobicContact CB-CB 4.38Å; L301-P311 HydrophobicContact CD1-CG 4.35Å; L301-P311 HydrophobicContact CD2-CB 4.46Å; L301-P311 HydrophobicContact CD2-CG 4.21Å; L301-H313 WeakPolarHBondContact CA-O 3.36Å; L301-I314 HydrophobicContact CD2-CB 4.17Å; L301-I314 HydrophobicContact CD2-CG1 3.99Å; L301-I314 HydrophobicContact CD2-CG2 3.77Å
302	F	96.3	Very high	90.4	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	122	169	-69.7	-99.7	0	0	0	108.9	L282 F283 A284 L300 P311 E312 H313 Y315 I326 V334 L348	L282-F302 HydrophobicContact CD1-CB 4.06Å; L282-F302 HydrophobicContact CD1-CD1 4.48Å; L282-F302 HydrophobicContact CG-CD1 4.48Å; F283-F302 WeakPolarHBondContact O-CA 3.47Å; A284-F302 HydrophobicContact CB-CD1 3.99Å; A284-F302 HydrophobicContact CB-CE1 3.58Å; A284-F302 HydrophobicContact CB-CZ 3.97Å; L300-F302 HydrophobicContact CD1-CE2 4.09Å; L300-F302 HydrophobicContact CD1-CZ 4.32Å; L300-F302 HydrophobicContact CD2-CE2 3.67Å; L300-F302 HydrophobicContact CD2-CZ 4.12Å; L300-F302 HydrophobicContact CG-CD2 4.41Å; L300-F302 HydrophobicContact CG-CE2 3.63Å; L300-F302 HydrophobicContact CG-CZ 4.27Å; F302-P311 CarbonylContact O-C 3.48Å; F302-P311 VanDerWaalsContact O-CA 3.3Å; F302-P311 WeakPolarHBondContact O-CA 3.41Å; F302-P311 WeakPolarHBondContact O-CB 3.31Å; F302-E312 PolarHBondContact O-N 3.38Å; F302-H313 HydrophobicContact CB-CB 4.08Å; F302-H313 HydrophobicContact CD2-CB 3.77Å; F302-H313 HydrophobicContact CG-CB 4.22Å; F302-H313 PolarHBondContact N-O 2.87Å; F302-Y315 HydrophobicContact CD2-CD2 4.47Å; F302-Y315 HydrophobicContact CD2-CE2 4.27Å; F302-Y315 HydrophobicContact CE2-CD2 4.19Å; F302-Y315 HydrophobicContact CE2-CE2 4.04Å; F302-I326 HydrophobicContact CE1-CD1 4.37Å; F302-V334 HydrophobicContact CE1-CG2 3.98Å; F302-V334 HydrophobicContact CZ-CB 4.26Å; F302-V334 HydrophobicContact CZ-CG1 4.25Å; F302-V334 HydrophobicContact CZ-CG2 3.69Å; F302-L348 HydrophobicContact CD1-CD1 4.1Å; F302-L348 HydrophobicContact CD2-CD2 3.99Å; F302-L348 HydrophobicContact CE1-CD1 3.72Å; F302-L348 HydrophobicContact CE1-CD2 4.15Å; F302-L348 HydrophobicContact CE2-CD2 3.52Å; F302-L348 HydrophobicContact CG-CD2 4.49Å; F302-L348 HydrophobicContact CZ-CD1 4.02Å; F302-L348 HydrophobicContact CZ-CD2 3.63Å; F302-L348 HydrophobicContact CZ-CG 4.31Å
303	F	96.1	Very high	90.9	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.009	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	145.6	176	-74.4	-78.6	0	0	0	110	F260 L282 F283 V285 L301 P311	F260-F303 HydrophobicContact CB-CD1 3.95Å; F260-F303 HydrophobicContact CB-CD2 4.2Å; F260-F303 HydrophobicContact CB-CE1 4.03Å; F260-F303 HydrophobicContact CB-CE2 4.28Å; F260-F303 HydrophobicContact CB-CG 4.01Å; F260-F303 HydrophobicContact CB-CZ 4.18Å; F260-F303 HydrophobicContact CD1-CB 3.82Å; F260-F303 AromaticContact CD1-CD1 3.76Å; F260-F303 HydrophobicContact CD1-CD1 3.76Å; F260-F303 AromaticContact CD1-CG 3.93Å; F260-F303 HydrophobicContact CD1-CG 3.93Å; F260-F303 HydrophobicContact CE1-CB 4.34Å; F260-F303 HydrophobicContact CG-CB 4.36Å; F260-F303 HydrophobicContact CG-CD1 4.29Å; F260-F303 HydrophobicContact CG-CG 4.26Å; L282-F303 WeakPolarHBondContact CA-O 3.25Å; F283-F303 HydrophobicContact CD1-CB 4.36Å; F283-F303 WeakPolarHBondContact CD1-O 3.4Å; F283-F303 HydrophobicContact CD2-CB 4.48Å; F283-F303 HydrophobicContact CE1-CB 3.69Å; F283-F303 HydrophobicContact CE2-CB 3.83Å; F283-F303 HydrophobicContact CE2-CD2 4.21Å; F283-F303 HydrophobicContact CE2-CG 4.44Å; F283-F303 HydrophobicContact CZ-CB 3.39Å; F283-F303 HydrophobicContact CZ-CD2 4.41Å; F283-F303 HydrophobicContact CZ-CG 4.21Å; F283-F303 PolarHBondContact N-O 2.87Å; F283-F303 PolarHBondContact O-N 3.27Å; V285-F303 HydrophobicContact CB-CD2 4.5Å; V285-F303 HydrophobicContact CG2-CD2 3.75Å; V285-F303 HydrophobicContact CG2-CE2 4.21Å; L301-F303 HydrophobicContact CB-CD2 4.33Å; L301-F303 HydrophobicContact CB-CE2 3.93Å; L301-F303 HydrophobicContact CD1-CE2 3.85Å; L301-F303 HydrophobicContact CD1-CZ 4.06Å; F303-P311 HydrophobicContact CD1-CB 4.15Å; F303-P311 HydrophobicContact CD1-CG 4.23Å; F303-P311 HydrophobicContact CE1-CB 3.97Å; F303-P311 HydrophobicContact CE1-CG 3.55Å; F303-P311 HydrophobicContact CE2-CG 4.42Å; F303-P311 HydrophobicContact CZ-CB 4.25Å; F303-P311 HydrophobicContact CZ-CG 3.67Å
304	S	94.8	Very high	91.7	Very high	3 Å²	3	37.3 Å²	37.3	2%	0.021	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	142.2	173.3	175.5	0	0	0	0	109.4	D281 K306 N307	D281-S304 CarbonylContact O-C 3.57Å; D281-S304 WeakPolarHBondContact O-CA 3.41Å; D281-S304 PolarHBondContact OD2-OG 2.7Å; S304-K306 PolarHBondContact O-N 3.27Å; S304-K306 VanDerWaalsContact O-N 3.07Å; S304-K306 WeakPolarHBondContact OG-CB 3.37Å; S304-K306 PolarHBondContact OG-N 3.18Å; S304-N307 CarbonylContact O-C 3.5Å; S304-N307 PolarHBondContact O-N 3.44Å
305	L	93.4	Very high	92.3	Very high	22 Å²	22	30.9 Å²	30.9	12%	0.115	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-20	170.5	-60.2	-177.4	0	0	0	112.7	F237 W258 F260 W275 D281 F283 N307 I578	F237-L305 HydrophobicContact CZ-CD1 4.22Å; W258-L305 HydrophobicContact CE3-CD2 4.07Å; W258-L305 HydrophobicContact CZ3-CD2 4.23Å; F260-L305 HydrophobicContact CE2-CD2 4.35Å; F260-L305 HydrophobicContact CZ-CD2 3.65Å; W275-L305 HydrophobicContact CH2-CD1 4.42Å; W275-L305 HydrophobicContact CH2-CD2 4.2Å; W275-L305 HydrophobicContact CH2-CG 4.39Å; D281-L305 HydrophobicContact CB-CB 3.99Å; D281-L305 HydrophobicContact CB-CD1 4.37Å; D281-L305 HydrophobicContact CB-CG 4.17Å; D281-L305 PolarHBondContact O-N 2.72Å; F283-L305 HydrophobicContact CE1-CD2 4.49Å; L305-N307 VanDerWaalsContact C-N 3.33Å; L305-I578 HydrophobicContact CD1-CD1 4.04Å
306	K	92.4	Very high	93	Very high	109 Å²	109	30.5 Å²	30.5	47%	0.474	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-24.7	175	-64.1	173.1	177.7	132.4	0	113.4	R223 D281 S304	R223-K306 HydrophobicContact CG-CB 4.2Å; D281-K306 WeakPolarHBondContact OD2-CD 3.33Å; D281-K306 WeakPolarHBondContact OD2-CE 3.36Å; D281-K306 IonicContact OD2-NZ 3.52Å; D281-K306 PolarHBondContact OD2-NZ 3.48Å; S304-K306 PolarHBondContact O-N 3.27Å; S304-K306 VanDerWaalsContact O-N 3.07Å; S304-K306 WeakPolarHBondContact OG-CB 3.37Å; S304-K306 PolarHBondContact OG-N 3.18Å
307	N	92.1	Very high	93.7	Very high	12 Å²	12	29.6 Å²	29.6	6%	0.064	16%	0.164	C	C	.	.	B	Isolated β-bridge	trans	-141.1	99.2	177.6	-176.5	-14.3	0	0	0	109.2	E222 R223 I226 S304 L305 A309 F310	E222-N307 PolarHBondContact OE1-ND2 2.96Å; R223-N307 HydrophobicContact CG-CB 4.32Å; I226-N307 HydrophobicContact CD1-CB 4.26Å; I226-N307 WeakPolarHBondContact CD1-OD1 3.34Å; S304-N307 CarbonylContact O-C 3.5Å; S304-N307 PolarHBondContact O-N 3.44Å; L305-N307 VanDerWaalsContact C-N 3.33Å; N307-A309 PolarHBondContact OD1-N 2.82Å; N307-F310 PolarHBondContact OD1-N 2.69Å; N307-F310 PolarHBondContact OD1-O 2.93Å
308	S	90.8	Very high	93.8	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.014	19%	0.188	C	C	.	.	S	Bend	trans	-79.4	-23.9	177.9	56.5	0	0	0	0	114.1	M230 F260	M230-S308 VanDerWaalsContact CE-OG 3.29Å; M230-S308 WeakPolarHBondContact CE-OG 2.97Å; M230-S308 PolarHBondContact SD-OG 3.05Å; F260-S308 VanDerWaalsContact CE1-CA 3.49Å
309	A	90.2	Very high	93.8	Very high	58 Å²	58	33.6 Å²	33.6	48%	0.479	19%	0.193	S	C	.	.	S	Bend	trans	-83.6	-35.1	-173.2	0	0	0	0	0	112.7	I226 N307	I226-A309 HydrophobicContact CD1-CB 3.92Å; N307-A309 PolarHBondContact OD1-N 2.82Å
310	F	92.7	Very high	93.8	Very high	88 Å²	88	32.1 Å²	32.1	39%	0.386	19%	0.186	S	C	.	.	S	Bend	trans	-130.7	133.1	-175	-161	-95.9	0	0	0	112.5	E222 Y262 N307 I314	E222-F310 WeakPolarHBondContact OE1-CB 3.12Å; Y262-F310 HydrophobicContact CD2-CE2 4.43Å; Y262-F310 HydrophobicContact CE2-CD2 4.48Å; Y262-F310 AromaticContact CE2-CE2 3.84Å; Y262-F310 HydrophobicContact CE2-CE2 3.84Å; Y262-F310 HydrophobicContact CE2-CZ 4.4Å; N307-F310 PolarHBondContact OD1-N 2.69Å; N307-F310 PolarHBondContact OD1-O 2.93Å; F310-I314 HydrophobicContact CE1-CD1 3.88Å; F310-I314 HydrophobicContact CE2-CD1 4.44Å; F310-I314 HydrophobicContact CZ-CD1 3.64Å
311	P	93.9	Very high	93.8	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.013	19%	0.186	C	C	.	.			trans	-66	144.6	176.7	-9.8	20.2	0	0	0	112.8	Y262 L301 F302 F303 I314	Y262-P311 HydrophobicContact CD2-CG 4.12Å; Y262-P311 HydrophobicContact CG-CG 4.13Å; L301-P311 HydrophobicContact CB-CB 4.38Å; L301-P311 HydrophobicContact CD1-CG 4.35Å; L301-P311 HydrophobicContact CD2-CB 4.46Å; L301-P311 HydrophobicContact CD2-CG 4.21Å; F302-P311 CarbonylContact O-C 3.48Å; F302-P311 VanDerWaalsContact O-CA 3.3Å; F302-P311 WeakPolarHBondContact O-CA 3.41Å; F302-P311 WeakPolarHBondContact O-CB 3.31Å; F303-P311 HydrophobicContact CD1-CB 4.15Å; F303-P311 HydrophobicContact CD1-CG 4.23Å; F303-P311 HydrophobicContact CE1-CB 3.97Å; F303-P311 HydrophobicContact CE1-CG 3.55Å; F303-P311 HydrophobicContact CE2-CG 4.42Å; F303-P311 HydrophobicContact CZ-CB 4.25Å; F303-P311 HydrophobicContact CZ-CG 3.67Å; P311-I314 HydrophobicContact CB-CD1 4.34Å; P311-I314 HydrophobicContact CB-CG1 3.87Å; P311-I314 HydrophobicContact CG-CD1 4.12Å; P311-I314 HydrophobicContact CG-CG1 4.05Å
312	E	91.7	Very high	93.8	Very high	65 Å²	65	32.4 Å²	32.4	30%	0.304	19%	0.187	S	C	.	.	S	Bend	trans	-72.9	-39.4	177.6	-172.4	160.5	-176.9	0	0	112.6	R223 F302	R223-E312 IonicContact CZ-OE1 3.59Å; R223-E312 IonicContact NH2-OE1 3.43Å; R223-E312 PolarHBondContact NH2-OE1 2.91Å; R223-E312 IonicContact NH2-OE2 2.76Å; R223-E312 PolarHBondContact NH2-OE2 3.36Å; F302-E312 PolarHBondContact O-N 3.38Å
313	H	92.8	Very high	93.8	Very high	51 Å²	51	32.5 Å²	32.5	24%	0.236	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	142	174	-61.8	-95.3	0	0	0	110.8	L301 F302 Y315 L348	L301-H313 WeakPolarHBondContact CA-O 3.36Å; F302-H313 HydrophobicContact CB-CB 4.08Å; F302-H313 HydrophobicContact CD2-CB 3.77Å; F302-H313 HydrophobicContact CG-CB 4.22Å; F302-H313 PolarHBondContact N-O 2.87Å; H313-Y315 HydrophobicContact CB-CD2 4.42Å; H313-Y315 HydrophobicContact CB-CE2 3.68Å; H313-L348 HydrophobicContact CB-CD2 4.47Å
314	I	94.6	Very high	93.8	Very high	43 Å²	43	32.5 Å²	32.5	22%	0.221	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	116.6	-175.9	-56.4	173.7	0	0	0	108.7	Y262 L301 F310 P311	Y262-I314 HydrophobicContact CE1-CD1 4.38Å; Y262-I314 HydrophobicContact CE1-CG2 4.37Å; Y262-I314 HydrophobicContact CE2-CD1 4.12Å; L301-I314 HydrophobicContact CD2-CB 4.17Å; L301-I314 HydrophobicContact CD2-CG1 3.99Å; L301-I314 HydrophobicContact CD2-CG2 3.77Å; F310-I314 HydrophobicContact CE1-CD1 3.88Å; F310-I314 HydrophobicContact CE2-CD1 4.44Å; F310-I314 HydrophobicContact CZ-CD1 3.64Å; P311-I314 HydrophobicContact CB-CD1 4.34Å; P311-I314 HydrophobicContact CB-CG1 3.87Å; P311-I314 HydrophobicContact CG-CD1 4.12Å; P311-I314 HydrophobicContact CG-CG1 4.05Å
315	Y	95.4	Very high	94	Very high	11 Å²	11	33.1 Å²	33.1	4%	0.043	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	100.9	176.7	-58.3	-86.3	0	0	0	109.8	M299 L300 F302 H313 Y346 L348 T352	M299-Y315 WeakPolarHBondContact CA-O 3.39Å; L300-Y315 HydrophobicContact CD2-CD2 4.02Å; L300-Y315 HydrophobicContact CG-CD2 4.34Å; L300-Y315 PolarHBondContact N-O 3.48Å; L300-Y315 PolarHBondContact O-N 2.91Å; F302-Y315 HydrophobicContact CD2-CD2 4.47Å; F302-Y315 HydrophobicContact CD2-CE2 4.27Å; F302-Y315 HydrophobicContact CE2-CD2 4.19Å; F302-Y315 HydrophobicContact CE2-CE2 4.04Å; H313-Y315 HydrophobicContact CB-CD2 4.42Å; H313-Y315 HydrophobicContact CB-CE2 3.68Å; Y315-Y346 AromaticContact CD1-CD1 3.8Å; Y315-Y346 HydrophobicContact CD1-CD1 3.8Å; Y315-Y346 HydrophobicContact CD1-CE1 4.07Å; Y315-Y346 HydrophobicContact CE1-CD1 4.25Å; Y315-Y346 HydrophobicContact CG-CD1 4.04Å; Y315-Y346 HydrophobicContact CG-CE1 4.23Å; Y315-L348 HydrophobicContact CE2-CD2 3.65Å; Y315-T352 WeakPolarHBondContact CE1-O 3.4Å
316	P	94.7	Very high	94.1	Very high	69 Å²	69	32.5 Å²	32.5	45%	0.448	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	137.1	174.5	29.7	-32.4	0	0	0	110.5
317	T	94.1	Very high	94.2	Very high	16 Å²	16	27.4 Å²	27.4	10%	0.098	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	145.8	-176.1	64.2	0	0	0	0	111.7	G297 G298 S319 I321 F338 Y346	G297-T317 WeakPolarHBondContact CA-O 3.31Å; G298-T317 WeakPolarHBondContact CA-OG1 3.42Å; G298-T317 PolarHBondContact N-O 3.42Å; G298-T317 PolarHBondContact N-OG1 3.22Å; G298-T317 PolarHBondContact O-N 3.13Å; G298-T317 PolarHBondContact O-OG1 3.2Å; T317-S319 VanDerWaalsContact C-N 3.3Å; T317-S319 PolarHBondContact O-N 3.34Å; T317-S319 PolarHBondContact OG1-O 3.37Å; T317-I321 HydrophobicContact CG2-CD1 4.11Å; T317-F338 HydrophobicContact CG2-CE1 3.76Å; T317-F338 HydrophobicContact CG2-CZ 4.15Å; T317-Y346 VanDerWaalsContact CG2-OH 3.31Å; T317-Y346 WeakPolarHBondContact CG2-OH 3.37Å
318	A	92.2	Very high	94.2	Very high	100 Å²	100	29.5 Å²	29.5	83%	0.826	18%	0.18	S	C	*	.	S	Bend	trans	-68.2	-29.3	-178.4	0	0	0	0	0	113.3
319	S	93.8	Very high	94.1	Very high	21 Å²	21	36.3 Å²	36.3	15%	0.147	21%	0.212	C	C	.	.	S	Bend	trans	-117	152.7	177.2	-171.6	0	0	0	0	110.2	G298 T317 D340	G298-S319 WeakPolarHBondContact CA-O 3.48Å; G298-S319 PolarHBondContact N-O 3.28Å; T317-S319 VanDerWaalsContact C-N 3.3Å; T317-S319 PolarHBondContact O-N 3.34Å; T317-S319 PolarHBondContact OG1-O 3.37Å; S319-D340 PolarHBondContact OG-N 3.41Å
320	G	94.9	Very high	94.2	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.199	C	C	.	.			trans	-60.6	135.3	176	0	0	0	0	0	111.4	A296 F338 Y339	A296-G320 PolarHBondContact O-N 3.08Å; G320-F338 WeakPolarHBondContact O-CA 3.4Å; G320-Y339 PolarHBondContact O-N 2.78Å
321	I	96.6	Very high	94.1	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	139.2	173.2	-66.3	167.9	0	0	0	108	T271 L287 L300 T317 V336 F338	T271-I321 VanDerWaalsContact CB-O 3.3Å; T271-I321 WeakPolarHBondContact CB-O 3.38Å; T271-I321 WeakPolarHBondContact CG2-O 3.4Å; T271-I321 PolarHBondContact OG1-O 2.99Å; L287-I321 PolarHBondContact O-N 3.21Å; L300-I321 HydrophobicContact CB-CD1 3.61Å; T317-I321 HydrophobicContact CG2-CD1 4.11Å; I321-V336 HydrophobicContact CB-CG1 4.17Å; I321-V336 HydrophobicContact CD1-CG1 3.88Å; I321-V336 HydrophobicContact CG1-CG1 3.66Å; I321-V336 HydrophobicContact CG2-CG1 3.54Å; I321-F338 HydrophobicContact CD1-CE1 4.31Å; I321-F338 HydrophobicContact CG1-CD1 3.89Å; I321-F338 HydrophobicContact CG1-CE1 3.56Å; I321-F338 HydrophobicContact CG1-CZ 4.48Å
322	L	95.9	Very high	94.1	Very high	6 Å²	6	34.8 Å²	34.8	3%	0.031	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	-25.2	176.7	-66.7	-177.7	0	0	0	113.2	T271 G337 Y339 P369 V370 W371	T271-L322 HydrophobicContact CG2-CD2 4.27Å; L322-G337 PolarHBondContact N-O 3Å; L322-Y339 HydrophobicContact CD1-CD2 4.07Å; L322-P369 HydrophobicContact CD1-CB 3.51Å; L322-V370 WeakPolarHBondContact CB-O 3.44Å; L322-W371 HydrophobicContact CD1-CD2 4.49Å; L322-W371 HydrophobicContact CD1-CE3 4.16Å; L322-W371 HydrophobicContact CD1-CZ3 4.17Å; L322-W371 HydrophobicContact CD2-CZ3 4.42Å
323	C	96.6	Very high	94.2	Very high	2 Å²	2	32.3 Å²	32.3	1%	0.014	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	155.2	178.1	56.8	0	0	0	0	111.1	V336 G337 V370 W371 Q372 V373	C323-V336 WeakPolarHBondContact O-CA 3.37Å; C323-G337 PolarHBondContact N-O 3.18Å; C323-G337 PolarHBondContact O-N 3.37Å; C323-G337 VanDerWaalsContact SG-CA 3.59Å; C323-V370 PolarHBondContact SG-O 3.18Å; C323-W371 VanDerWaalsContact CB-O 3.24Å; C323-W371 WeakPolarHBondContact CB-O 3.06Å; C323-Q372 VanDerWaalsContact SG-C 3.59Å; C323-Q372 VanDerWaalsContact SG-CA 3.57Å; C323-V373 HydrophobicContact CB-CG2 4.32Å
324	L	97.3	Very high	94.4	Very high	3 Å²	3	29.9 Å²	29.9	2%	0.016	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	158.7	173.3	66.1	88.6	0	0	0	110.4	A272 C274 A284 L300 A335 V336	A272-L324 HydrophobicContact CB-CB 4.42Å; A272-L324 HydrophobicContact CB-CD2 3.8Å; A272-L324 HydrophobicContact CB-CG 3.66Å; C274-L324 HydrophobicContact CB-CD1 3.2Å; A284-L324 HydrophobicContact CB-CD1 3.69Å; A284-L324 HydrophobicContact CB-CD2 4.1Å; L300-L324 HydrophobicContact CD1-CD2 3.89Å; L324-A335 CarbonylContact C-O 3.56Å; L324-A335 VanDerWaalsContact CA-O 3.22Å; L324-A335 WeakPolarHBondContact CA-O 3.27Å; L324-V336 HydrophobicContact CB-CG2 4.3Å
325	D	97.3	Very high	94.5	Very high	15 Å²	15	27.9 Å²	27.9	8%	0.08	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	134.2	171.3	-161.5	43.6	0	0	0	109.7	A335 V373 R374 W375	D325-A335 PolarHBondContact N-O 3.24Å; D325-A335 PolarHBondContact O-N 3.39Å; D325-V373 HydrophobicContact CB-CG2 4.21Å; D325-R374 IonicContact OD1-CZ 2.84Å; D325-R374 IonicContact OD1-NH1 3.08Å; D325-R374 PolarHBondContact OD1-NH1 3.45Å; D325-R374 WeakPolarHBondContact OD2-CA 3.33Å; D325-W375 PolarHBondContact O-NE1 3.46Å; D325-W375 PolarHBondContact OD2-N 3.24Å
326	I	96.5	Very high	94.6	Very high	9 Å²	9	27.3 Å²	27.3	5%	0.046	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	136.1	177.1	-58.7	177.5	0	0	0	108.3	C274 N276 A284 F302 V334 W375	C274-I326 HydrophobicContact CB-CD1 4.45Å; C274-I326 HydrophobicContact CB-CG1 4.3Å; N276-I326 HydrophobicContact CB-CD1 4.24Å; A284-I326 HydrophobicContact CB-CD1 3.89Å; A284-I326 HydrophobicContact CB-CG1 4.25Å; F302-I326 HydrophobicContact CE1-CD1 4.37Å; I326-V334 HydrophobicContact CB-CG2 4.46Å; I326-V334 HydrophobicContact CG1-CG1 4.33Å; I326-V334 HydrophobicContact CG1-CG2 3.97Å; I326-V334 HydrophobicContact CG2-CG2 4.35Å; I326-W375 VanDerWaalsContact C-CD1 3.49Å
327	H	95.1	Very high	94.7	Very high	3 Å²	3	24 Å²	24	1%	0.014	14%	0.139	C	C	.	.			trans	-62.5	132	179.8	-173.3	-57.6	0	0	0	110.8	Q329 L330 L333 W375 H384	H327-Q329 PolarHBondContact ND1-N 3.44Å; H327-Q329 VanDerWaalsContact ND1-N 3.2Å; H327-Q329 PolarHBondContact O-N 3.5Å; H327-L330 HydrophobicContact CB-CB 4.27Å; H327-L330 WeakPolarHBondContact CB-O 3.43Å; H327-L330 PolarHBondContact ND1-N 3.49Å; H327-L330 VanDerWaalsContact ND1-N 3.13Å; H327-L333 HydrophobicContact CB-CB 4.05Å; H327-L333 WeakPolarHBondContact CB-O 3.41Å; H327-L333 PolarHBondContact N-O 2.95Å; H327-W375 HydrophobicContact CB-CD2 4.07Å; H327-W375 HydrophobicContact CB-CG 4.21Å; H327-W375 HydrophobicContact CB-CZ2 4.44Å; H327-W375 AromaticContact CD2-CD2 3.78Å; H327-W375 AromaticContact CD2-CE3 3.55Å; H327-W375 AromaticContact CD2-CZ3 3.87Å; H327-H384 AromaticContact NE2-ND1 3.54Å
328	P	90.6	Very high	94.8	Very high	55 Å²	55	23.6 Å²	23.6	36%	0.357	14%	0.136	S	C	.	.	S	Bend	trans	-63.9	-37.4	-169.9	21.3	-33.7	0	0	0	114.2
329	Q	89.8	Confident	95	Very high	146 Å²	146	21.8 Å²	21.8	68%	0.682	11%	0.108	S	C	*	.	S	Bend	trans	-95.5	-40.4	177.3	-58.1	-179.1	5.1	0	0	113.5	H327 S331	H327-Q329 PolarHBondContact ND1-N 3.44Å; H327-Q329 VanDerWaalsContact ND1-N 3.2Å; H327-Q329 PolarHBondContact O-N 3.5Å; Q329-S331 PolarHBondContact O-N 3.49Å
330	L	91.9	Very high	94.9	Very high	41 Å²	41	23.5 Å²	23.5	22%	0.215	12%	0.116	C	C	.	.			trans	-100.3	78	-176.4	-58.7	179.1	0	0	0	111.3	H327 Y332 L333 H384	H327-L330 HydrophobicContact CB-CB 4.27Å; H327-L330 WeakPolarHBondContact CB-O 3.43Å; H327-L330 PolarHBondContact ND1-N 3.49Å; H327-L330 VanDerWaalsContact ND1-N 3.13Å; L330-Y332 HydrophobicContact CB-CD1 4.31Å; L330-Y332 HydrophobicContact CB-CE1 3.83Å; L330-Y332 HydrophobicContact CD2-CE1 3.81Å; L330-Y332 HydrophobicContact CG-CE1 4.28Å; L330-Y332 PolarHBondContact O-N 3.06Å; L330-L333 HydrophobicContact CB-CD1 4.27Å; L330-L333 HydrophobicContact CB-CG 4.46Å; L330-L333 HydrophobicContact CD1-CD1 3.82Å; L330-L333 PolarHBondContact O-N 3Å; L330-H384 VanDerWaalsContact CD1-CE1 3.45Å; L330-H384 WeakPolarHBondContact CD1-CE1 3.36Å; L330-H384 VanDerWaalsContact CD1-NE2 3.27Å; L330-H384 WeakPolarHBondContact CD1-NE2 3.3Å
331	S	91	Very high	94.9	Very high	9 Å²	9	23.5 Å²	23.5	6%	0.063	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.3	-12.6	-179.2	-64.1	0	0	0	0	117.9	N276 K278 Q329	N276-S331 WeakPolarHBondContact ND2-CB 3.11Å; N276-S331 PolarHBondContact ND2-O 3.29Å; N276-S331 VanDerWaalsContact OD1-CB 3.29Å; N276-S331 WeakPolarHBondContact OD1-CB 3.45Å; N276-S331 PolarHBondContact OD1-OG 2.81Å; K278-S331 WeakPolarHBondContact CB-OG 3.37Å; Q329-S331 PolarHBondContact O-N 3.49Å
332	Y	92.5	Very high	94.8	Very high	65 Å²	65	23.9 Å²	23.9	26%	0.255	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-11.8	179.1	63.3	-90.6	0	0	0	113.6	L330 N347 L348 K349	L330-Y332 HydrophobicContact CB-CD1 4.31Å; L330-Y332 HydrophobicContact CB-CE1 3.83Å; L330-Y332 HydrophobicContact CD2-CE1 3.81Å; L330-Y332 HydrophobicContact CG-CE1 4.28Å; L330-Y332 PolarHBondContact O-N 3.06Å; Y332-N347 WeakPolarHBondContact CD2-OD1 3.39Å; Y332-N347 CarbonylContact O-C 3.58Å; Y332-N347 WeakPolarHBondContact O-CA 3.38Å; Y332-L348 WeakPolarHBondContact O-CG 3.39Å; Y332-L348 PolarHBondContact O-N 3.48Å; Y332-K349 HydrophobicContact CD1-CD 4.28Å; Y332-K349 VanDerWaalsContact CD1-CE 3.48Å; Y332-K349 HydrophobicContact CD2-CD 4.05Å; Y332-K349 HydrophobicContact CD2-CG 4.29Å; Y332-K349 HydrophobicContact CE2-CD 4.37Å; Y332-K349 HydrophobicContact CG-CD 3.99Å; Y332-K349 HydrophobicContact CG-CG 4.1Å
333	L	94.6	Very high	94.8	Very high	14 Å²	14	23.6 Å²	23.6	7%	0.073	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	127.9	176.4	-69.2	178.6	0	0	0	110.2	H327 L330 V345 Y346 N347 W375	H327-L333 HydrophobicContact CB-CB 4.05Å; H327-L333 WeakPolarHBondContact CB-O 3.41Å; H327-L333 PolarHBondContact N-O 2.95Å; L330-L333 HydrophobicContact CB-CD1 4.27Å; L330-L333 HydrophobicContact CB-CG 4.46Å; L330-L333 HydrophobicContact CD1-CD1 3.82Å; L330-L333 PolarHBondContact O-N 3Å; L333-V345 HydrophobicContact CD2-CG1 4.28Å; L333-Y346 WeakPolarHBondContact CA-O 3.3Å; L333-N347 HydrophobicContact CD2-CB 4.27Å; L333-W375 HydrophobicContact CB-CZ2 4.39Å
334	V	96.4	Very high	94.8	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	122.1	-178.5	-176.7	0	0	0	0	109.8	F302 I326 V336 V345 Y346 L348	F302-V334 HydrophobicContact CE1-CG2 3.98Å; F302-V334 HydrophobicContact CZ-CB 4.26Å; F302-V334 HydrophobicContact CZ-CG1 4.25Å; F302-V334 HydrophobicContact CZ-CG2 3.69Å; I326-V334 HydrophobicContact CB-CG2 4.46Å; I326-V334 HydrophobicContact CG1-CG1 4.33Å; I326-V334 HydrophobicContact CG1-CG2 3.97Å; I326-V334 HydrophobicContact CG2-CG2 4.35Å; V334-V336 HydrophobicContact CG1-CG2 4.18Å; V334-V345 CarbonylContact O-C 3.42Å; V334-V345 VanDerWaalsContact O-CA 3.3Å; V334-V345 WeakPolarHBondContact O-CA 3.27Å; V334-Y346 PolarHBondContact N-O 3.15Å; V334-Y346 PolarHBondContact O-N 3.39Å; V334-L348 HydrophobicContact CG2-CD1 4.48Å
335	A	97.2	Very high	94.7	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	140.3	174.5	0	0	0	0	0	109.3	L324 D325 A344 V345 V373 W375 F386	L324-A335 CarbonylContact C-O 3.56Å; L324-A335 VanDerWaalsContact CA-O 3.22Å; L324-A335 WeakPolarHBondContact CA-O 3.27Å; D325-A335 PolarHBondContact N-O 3.24Å; D325-A335 PolarHBondContact O-N 3.39Å; A335-A344 CarbonylContact C-O 3.55Å; A335-A344 WeakPolarHBondContact CA-O 3.5Å; A335-V345 HydrophobicContact CB-CG2 4.47Å; A335-V373 HydrophobicContact CB-CG2 4.4Å; A335-W375 HydrophobicContact CB-CZ2 3.65Å; A335-F386 HydrophobicContact CB-CD1 4.43Å; A335-F386 HydrophobicContact CB-CD2 4.23Å; A335-F386 HydrophobicContact CB-CE2 4.45Å; A335-F386 HydrophobicContact CB-CG 4.22Å
336	V	97.7	Very high	94.6	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	-138.5	134.6	-174.8	-176.4	0	0	0	0	109.6	L300 I321 C323 L324 V334 F338 V343 A344 Y346	L300-V336 HydrophobicContact CD1-CG2 4.42Å; L300-V336 HydrophobicContact CD2-CG2 4.03Å; I321-V336 HydrophobicContact CB-CG1 4.17Å; I321-V336 HydrophobicContact CD1-CG1 3.88Å; I321-V336 HydrophobicContact CG1-CG1 3.66Å; I321-V336 HydrophobicContact CG2-CG1 3.54Å; C323-V336 WeakPolarHBondContact O-CA 3.37Å; L324-V336 HydrophobicContact CB-CG2 4.3Å; V334-V336 HydrophobicContact CG1-CG2 4.18Å; V336-F338 HydrophobicContact CB-CZ 4.41Å; V336-F338 HydrophobicContact CG1-CE1 4.16Å; V336-F338 HydrophobicContact CG1-CE2 4.28Å; V336-F338 HydrophobicContact CG1-CZ 3.92Å; V336-V343 CarbonylContact O-C 3.45Å; V336-V343 WeakPolarHBondContact O-CA 3.34Å; V336-A344 PolarHBondContact N-O 2.93Å; V336-A344 PolarHBondContact O-N 2.87Å; V336-Y346 HydrophobicContact CB-CD2 4.49Å; V336-Y346 HydrophobicContact CB-CE2 4.34Å; V336-Y346 HydrophobicContact CG2-CD2 3.87Å; V336-Y346 HydrophobicContact CG2-CE2 4.11Å
337	G	97.1	Very high	94.5	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	140.2	171.8	0	0	0	0	0	111.8	L322 C323	L322-G337 PolarHBondContact N-O 3Å; C323-G337 PolarHBondContact N-O 3.18Å; C323-G337 PolarHBondContact O-N 3.37Å; C323-G337 VanDerWaalsContact SG-CA 3.59Å
338	F	96.4	Very high	94.3	Very high	7 Å²	7	24.7 Å²	24.7	3%	0.031	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	159.3	-175.8	-63.4	-79.1	0	0	0	112.7	T317 G320 I321 V336 D340 G341 C342 A344 Y346 V370	T317-F338 HydrophobicContact CG2-CE1 3.76Å; T317-F338 HydrophobicContact CG2-CZ 4.15Å; G320-F338 WeakPolarHBondContact O-CA 3.4Å; I321-F338 HydrophobicContact CD1-CE1 4.31Å; I321-F338 HydrophobicContact CG1-CD1 3.89Å; I321-F338 HydrophobicContact CG1-CE1 3.56Å; I321-F338 HydrophobicContact CG1-CZ 4.48Å; V336-F338 HydrophobicContact CB-CZ 4.41Å; V336-F338 HydrophobicContact CG1-CE1 4.16Å; V336-F338 HydrophobicContact CG1-CE2 4.28Å; V336-F338 HydrophobicContact CG1-CZ 3.92Å; F338-D340 WeakPolarHBondContact CB-OD1 3.38Å; F338-D340 PolarHBondContact O-N 2.58Å; F338-G341 PolarHBondContact O-N 3.22Å; F338-C342 HydrophobicContact CB-CB 4.22Å; F338-C342 HydrophobicContact CD2-CB 3.69Å; F338-C342 WeakPolarHBondContact CD2-O 3.4Å; F338-C342 HydrophobicContact CG-CB 4.32Å; F338-C342 PolarHBondContact N-O 3.11Å; F338-A344 HydrophobicContact CE2-CB 3.58Å; F338-A344 HydrophobicContact CZ-CB 4.24Å; F338-Y346 HydrophobicContact CZ-CE2 4.22Å; F338-V370 PolarHBondContact O-N 3.21Å; F338-V370 VanDerWaalsContact O-N 3.15Å
339	Y	95	Very high	94.3	Very high	61 Å²	61	28.9 Å²	28.9	24%	0.239	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-29.4	174.2	-177.8	-96.3	0	0	0	113.1	F292 Q295 G320 L322 G341 P369	F292-Y339 WeakPolarHBondContact CD2-OH 3.48Å; Q295-Y339 HydrophobicContact CG-CD1 4.48Å; Q295-Y339 HydrophobicContact CG-CE1 4Å; Q295-Y339 VanDerWaalsContact NE2-CE2 3.26Å; G320-Y339 PolarHBondContact O-N 2.78Å; L322-Y339 HydrophobicContact CD1-CD2 4.07Å; Y339-G341 PolarHBondContact O-N 2.73Å; Y339-P369 HydrophobicContact CD2-CB 4.01Å; Y339-P369 HydrophobicContact CD2-CG 3.66Å; Y339-P369 HydrophobicContact CE2-CB 4.31Å; Y339-P369 HydrophobicContact CE2-CG 3.52Å; Y339-P369 HydrophobicContact CG-CG 4.28Å; Y339-P369 WeakPolarHBondContact O-CA 3.42Å; Y339-P369 WeakPolarHBondContact O-CG 3.4Å
340	D	93	Very high	94	Very high	58 Å²	58	25.7 Å²	25.7	31%	0.31	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	0.8	-177.8	75	-34.4	0	0	0	113.4	S319 F338 C342 K365	S319-D340 PolarHBondContact OG-N 3.41Å; F338-D340 WeakPolarHBondContact CB-OD1 3.38Å; F338-D340 PolarHBondContact O-N 2.58Å; D340-C342 VanDerWaalsContact OD1-CB 3.31Å; D340-C342 WeakPolarHBondContact OD1-CB 3.35Å; D340-C342 PolarHBondContact OD1-N 3.4Å; D340-C342 VanDerWaalsContact OD1-N 3.11Å; D340-C342 PolarHBondContact OD2-SG 2.87Å; D340-K365 VanDerWaalsContact CG-NZ 3.28Å; D340-K365 WeakPolarHBondContact O-CE 3.41Å; D340-K365 PolarHBondContact O-NZ 2.95Å; D340-K365 IonicContact OD1-NZ 3.69Å; D340-K365 IonicContact OD2-NZ 3.9Å; D340-K365 PolarHBondContact OD2-NZ 2.73Å
341	G	93.8	Very high	93.2	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	15%	0.15	C	C	.	.	S	Bend	trans	91.6	-0.9	-174.9	0	0	0	0	0	114.3	F338 Y339 K365 H366 D368	F338-G341 PolarHBondContact O-N 3.22Å; Y339-G341 PolarHBondContact O-N 2.73Å; G341-K365 WeakPolarHBondContact O-CG 3.48Å; G341-H366 WeakPolarHBondContact O-CB 3.45Å; G341-H366 PolarHBondContact O-N 2.91Å; G341-H366 VanDerWaalsContact O-N 3.13Å; G341-D368 VanDerWaalsContact CA-O 3.26Å; G341-D368 WeakPolarHBondContact CA-O 3.15Å
342	C	95.3	Very high	92.9	Very high	7 Å²	7	35.4 Å²	35.4	5%	0.047	17%	0.168	C	C	.	.			trans	-74.7	148.5	177	-71.9	0	0	0	0	110.3	F338 D340 S359 K365	F338-C342 HydrophobicContact CB-CB 4.22Å; F338-C342 HydrophobicContact CD2-CB 3.69Å; F338-C342 WeakPolarHBondContact CD2-O 3.4Å; F338-C342 HydrophobicContact CG-CB 4.32Å; F338-C342 PolarHBondContact N-O 3.11Å; D340-C342 VanDerWaalsContact OD1-CB 3.31Å; D340-C342 WeakPolarHBondContact OD1-CB 3.35Å; D340-C342 PolarHBondContact OD1-N 3.4Å; D340-C342 VanDerWaalsContact OD1-N 3.11Å; D340-C342 PolarHBondContact OD2-SG 2.87Å; C342-S359 WeakPolarHBondContact CA-OG 2.93Å; C342-K365 VanDerWaalsContact SG-CD 3.51Å; C342-K365 WeakPolarHBondContact SG-CE 3.49Å; C342-K365 PolarHBondContact SG-NZ 3.03Å; C342-K365 VanDerWaalsContact SG-NZ 3.38Å
343	V	96.5	Very high	92.6	Very high	0 Å²	0	41 Å²	41	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	144.7	157	-62.8	0	0	0	0	108.9	V336 K358 S359 V370 V373 F386 W398 L405	V336-V343 CarbonylContact O-C 3.45Å; V336-V343 WeakPolarHBondContact O-CA 3.34Å; V343-K358 WeakPolarHBondContact O-CA 3.48Å; V343-S359 PolarHBondContact N-OG 3.15Å; V343-S359 PolarHBondContact O-N 2.74Å; V343-S359 PolarHBondContact O-OG 2.99Å; V343-V370 HydrophobicContact CG1-CG1 4.16Å; V343-V370 HydrophobicContact CG1-CG2 4.14Å; V343-V373 HydrophobicContact CG1-CG1 4.4Å; V343-F386 HydrophobicContact CB-CE2 4.11Å; V343-F386 HydrophobicContact CB-CZ 4.25Å; V343-F386 HydrophobicContact CG1-CE2 4.38Å; V343-F386 HydrophobicContact CG2-CE2 4.21Å; V343-F386 HydrophobicContact CG2-CZ 4.06Å; V343-W398 HydrophobicContact CG1-CZ2 4.43Å; V343-W398 HydrophobicContact CG2-CD2 3.67Å; V343-W398 VanDerWaalsContact CG2-CE2 3.43Å; V343-W398 HydrophobicContact CG2-CE3 4.04Å; V343-W398 HydrophobicContact CG2-CG 4.21Å; V343-W398 HydrophobicContact CG2-CH2 3.92Å; V343-W398 HydrophobicContact CG2-CZ2 3.59Å; V343-W398 HydrophobicContact CG2-CZ3 4.12Å; V343-L405 HydrophobicContact CG2-CD2 3.84Å
344	A	95.7	Very high	92.4	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	157.9	172.4	0	0	0	0	0	111.6	A335 V336 F338 Y346 P355 Y357 K358	A335-A344 CarbonylContact C-O 3.55Å; A335-A344 WeakPolarHBondContact CA-O 3.5Å; V336-A344 PolarHBondContact N-O 2.93Å; V336-A344 PolarHBondContact O-N 2.87Å; F338-A344 HydrophobicContact CE2-CB 3.58Å; F338-A344 HydrophobicContact CZ-CB 4.24Å; A344-Y346 HydrophobicContact CB-CE2 4.12Å; A344-P355 HydrophobicContact CB-CB 3.7Å; A344-P355 HydrophobicContact CB-CG 4.03Å; A344-Y357 CarbonylContact C-O 3.58Å; A344-Y357 WeakPolarHBondContact CA-O 3.46Å; A344-Y357 VanDerWaalsContact CB-O 3.31Å; A344-Y357 WeakPolarHBondContact CB-O 3.44Å; A344-K358 HydrophobicContact CB-CB 4.32Å; A344-K358 HydrophobicContact CB-CG 4.29Å
345	V	95.9	Very high	92.2	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	124.9	174.8	-177.1	0	0	0	0	108.9	L333 V334 A335 V356 Y357 W375 F386 L400	L333-V345 HydrophobicContact CD2-CG1 4.28Å; V334-V345 CarbonylContact O-C 3.42Å; V334-V345 VanDerWaalsContact O-CA 3.3Å; V334-V345 WeakPolarHBondContact O-CA 3.27Å; A335-V345 HydrophobicContact CB-CG2 4.47Å; V345-V356 PolarHBondContact O-N 3.28Å; V345-Y357 HydrophobicContact CB-CD2 4.05Å; V345-Y357 HydrophobicContact CG1-CD2 4.42Å; V345-Y357 PolarHBondContact N-O 3.43Å; V345-Y357 PolarHBondContact O-N 3.07Å; V345-W375 HydrophobicContact CG1-CH2 4.2Å; V345-W375 HydrophobicContact CG1-CZ2 4.15Å; V345-W375 HydrophobicContact CG2-CH2 4.34Å; V345-F386 HydrophobicContact CG2-CD1 4.37Å; V345-F386 HydrophobicContact CG2-CE1 3.58Å; V345-F386 HydrophobicContact CG2-CZ 4.05Å; V345-L400 HydrophobicContact CG1-CD2 4.3Å; V345-L400 HydrophobicContact CG2-CD1 4.48Å; V345-L400 HydrophobicContact CG2-CD2 4.47Å
346	Y	95.4	Very high	92	Very high	10 Å²	10	50.2 Å²	50.2	4%	0.039	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	144.7	176.7	-69.6	-93.7	0	0	0	110.6	L300 Y315 T317 L333 V334 V336 F338 A344 P355	L300-Y346 HydrophobicContact CD2-CD2 3.95Å; L300-Y346 HydrophobicContact CD2-CE2 4.43Å; L300-Y346 HydrophobicContact CD2-CG 4.1Å; Y315-Y346 AromaticContact CD1-CD1 3.8Å; Y315-Y346 HydrophobicContact CD1-CD1 3.8Å; Y315-Y346 HydrophobicContact CD1-CE1 4.07Å; Y315-Y346 HydrophobicContact CE1-CD1 4.25Å; Y315-Y346 HydrophobicContact CG-CD1 4.04Å; Y315-Y346 HydrophobicContact CG-CE1 4.23Å; T317-Y346 VanDerWaalsContact CG2-OH 3.31Å; T317-Y346 WeakPolarHBondContact CG2-OH 3.37Å; L333-Y346 WeakPolarHBondContact CA-O 3.3Å; V334-Y346 PolarHBondContact N-O 3.15Å; V334-Y346 PolarHBondContact O-N 3.39Å; V336-Y346 HydrophobicContact CB-CD2 4.49Å; V336-Y346 HydrophobicContact CB-CE2 4.34Å; V336-Y346 HydrophobicContact CG2-CD2 3.87Å; V336-Y346 HydrophobicContact CG2-CE2 4.11Å; F338-Y346 HydrophobicContact CZ-CE2 4.22Å; A344-Y346 HydrophobicContact CB-CE2 4.12Å; Y346-P355 HydrophobicContact CD1-CB 4.1Å; Y346-P355 HydrophobicContact CD2-CB 4.3Å; Y346-P355 HydrophobicContact CE1-CB 3.81Å; Y346-P355 HydrophobicContact CE1-CG 4.33Å; Y346-P355 HydrophobicContact CE2-CB 4.04Å; Y346-P355 HydrophobicContact CG-CB 4.33Å
347	N	93.8	Very high	91.8	Very high	25 Å²	25	52.1 Å²	52.1	13%	0.134	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	113	174.4	-179.7	-2.1	0	0	0	109.6	Y332 L333 K349 E350 V356	Y332-N347 WeakPolarHBondContact CD2-OD1 3.39Å; Y332-N347 CarbonylContact O-C 3.58Å; Y332-N347 WeakPolarHBondContact O-CA 3.38Å; L333-N347 HydrophobicContact CD2-CB 4.27Å; N347-K349 PolarHBondContact O-N 3.08Å; N347-K349 WeakPolarHBondContact OD1-CB 3.49Å; N347-K349 PolarHBondContact OD1-N 3.31Å; N347-E350 HydrophobicContact CB-CG 4.46Å; N347-E350 PolarHBondContact ND2-OE1 2.85Å; N347-E350 PolarHBondContact O-N 2.72Å; N347-V356 HydrophobicContact CB-CG2 3.4Å; N347-V356 VanDerWaalsContact CB-CG2 3.4Å
348	L	91.3	Very high	91.6	Very high	20 Å²	20	57.4 Å²	57.4	11%	0.105	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-16.2	-177.7	-59.2	-179.4	0	0	0	114	F302 H313 Y315 Y332 V334	F302-L348 HydrophobicContact CD1-CD1 4.1Å; F302-L348 HydrophobicContact CD2-CD2 3.99Å; F302-L348 HydrophobicContact CE1-CD1 3.72Å; F302-L348 HydrophobicContact CE1-CD2 4.15Å; F302-L348 HydrophobicContact CE2-CD2 3.52Å; F302-L348 HydrophobicContact CG-CD2 4.49Å; F302-L348 HydrophobicContact CZ-CD1 4.02Å; F302-L348 HydrophobicContact CZ-CD2 3.63Å; F302-L348 HydrophobicContact CZ-CG 4.31Å; H313-L348 HydrophobicContact CB-CD2 4.47Å; Y315-L348 HydrophobicContact CE2-CD2 3.65Å; Y332-L348 WeakPolarHBondContact O-CG 3.39Å; Y332-L348 PolarHBondContact O-N 3.48Å; V334-L348 HydrophobicContact CG2-CD1 4.48Å
349	K	89.6	Confident	91.5	Very high	144 Å²	144	57.1 Å²	57.1	63%	0.626	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-26.5	176.6	-66.3	177.2	176.1	173.2	0	112.3	Y332 N347	Y332-K349 HydrophobicContact CD1-CD 4.28Å; Y332-K349 VanDerWaalsContact CD1-CE 3.48Å; Y332-K349 HydrophobicContact CD2-CD 4.05Å; Y332-K349 HydrophobicContact CD2-CG 4.29Å; Y332-K349 HydrophobicContact CE2-CD 4.37Å; Y332-K349 HydrophobicContact CG-CD 3.99Å; Y332-K349 HydrophobicContact CG-CG 4.1Å; N347-K349 PolarHBondContact O-N 3.08Å; N347-K349 WeakPolarHBondContact OD1-CB 3.49Å; N347-K349 PolarHBondContact OD1-N 3.31Å
350	E	84.9	Confident	91.2	Very high	79 Å²	79	57.2 Å²	57.2	37%	0.369	28%	0.277	S	S	.	.	S	Bend	trans	-84.3	136.8	178.8	-70	174.7	-141.9	0	0	109.5	N347 T352	N347-E350 HydrophobicContact CB-CG 4.46Å; N347-E350 PolarHBondContact ND2-OE1 2.85Å; N347-E350 PolarHBondContact O-N 2.72Å; E350-T352 WeakPolarHBondContact CB-OG1 3.36Å; E350-T352 PolarHBondContact O-N 3.41Å
351	Q	75.2	Confident	90.9	Very high	183 Å²	183	59 Å²	59	86%	0.855	30%	0.3	S	S	*	.			trans	-80.8	-0.9	177.3	-66	-178	-1.4	0	0	112.5
352	T	84.3	Confident	90.5	Very high	71 Å²	71	64.4 Å²	64.4	44%	0.436	34%	0.338	S	S	.	.			trans	-67.3	141.7	175.4	49.4	0	0	0	0	109.7	Y315 E350 D354	Y315-T352 WeakPolarHBondContact CE1-O 3.4Å; E350-T352 WeakPolarHBondContact CB-OG1 3.36Å; E350-T352 PolarHBondContact O-N 3.41Å; T352-D354 VanDerWaalsContact C-N 3.34Å
353	R	85.6	Confident	90.1	Very high	182 Å²	182	66 Å²	66	69%	0.687	35%	0.347	S	S	*	.	S	Bend	trans	-85.1	-15.6	175.8	-66.6	-177.1	-178.7	168.2	2.2	112.5
354	D	90.2	Very high	89.6	Confident	125 Å²	125	67 Å²	67	67%	0.668	36%	0.359	S	S	*	.	S	Bend	trans	-84.5	148.4	-179.8	-63.2	-48.3	0	0	0	110.6	T352	T352-D354 VanDerWaalsContact C-N 3.34Å
355	P	92.3	Very high	89.4	Confident	29 Å²	29	69.4 Å²	69.4	19%	0.188	37%	0.369	C	S	.	.			trans	-66.6	148	174.7	28.3	-34.6	0	0	0	111.3	A344 Y346 K358	A344-P355 HydrophobicContact CB-CB 3.7Å; A344-P355 HydrophobicContact CB-CG 4.03Å; Y346-P355 HydrophobicContact CD1-CB 4.1Å; Y346-P355 HydrophobicContact CD2-CB 4.3Å; Y346-P355 HydrophobicContact CE1-CB 3.81Å; Y346-P355 HydrophobicContact CE1-CG 4.33Å; Y346-P355 HydrophobicContact CE2-CB 4.04Å; Y346-P355 HydrophobicContact CG-CB 4.33Å; P355-K358 HydrophobicContact CG-CB 4.05Å; P355-K358 HydrophobicContact CG-CD 4.21Å
356	V	92.9	Very high	89.3	Confident	53 Å²	53	69.6 Å²	69.6	32%	0.321	37%	0.37	S	S	.	.	S	Bend	trans	-69.8	-40.8	176.1	-177.9	0	0	0	0	110.7	V345 N347	V345-V356 PolarHBondContact O-N 3.28Å; N347-V356 HydrophobicContact CB-CG2 3.4Å; N347-V356 VanDerWaalsContact CB-CG2 3.4Å
357	Y	93.1	Very high	89.2	Confident	40 Å²	40	74 Å²	74	16%	0.157	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	138	174.7	-55.8	-88.2	0	0	0	109.5	A344 V345 L400 K402	A344-Y357 CarbonylContact C-O 3.58Å; A344-Y357 WeakPolarHBondContact CA-O 3.46Å; A344-Y357 VanDerWaalsContact CB-O 3.31Å; A344-Y357 WeakPolarHBondContact CB-O 3.44Å; V345-Y357 HydrophobicContact CB-CD2 4.05Å; V345-Y357 HydrophobicContact CG1-CD2 4.42Å; V345-Y357 PolarHBondContact N-O 3.43Å; V345-Y357 PolarHBondContact O-N 3.07Å; Y357-L400 HydrophobicContact CD2-CD2 3.85Å; Y357-L400 HydrophobicContact CD2-CG 4.24Å; Y357-L400 HydrophobicContact CE2-CD2 3.67Å; Y357-L400 HydrophobicContact CE2-CG 4.22Å; Y357-K402 WeakPolarHBondContact CE1-O 3.46Å; Y357-K402 PolarHBondContact OH-O 3.21Å
358	K	93.2	Very high	89.2	Confident	111 Å²	111	76.1 Å²	76.1	48%	0.483	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	129.6	174.5	-174.4	175.9	-179.4	179.8	0	109.7	V343 A344 P355	V343-K358 WeakPolarHBondContact O-CA 3.48Å; A344-K358 HydrophobicContact CB-CB 4.32Å; A344-K358 HydrophobicContact CB-CG 4.29Å; P355-K358 HydrophobicContact CG-CB 4.05Å; P355-K358 HydrophobicContact CG-CD 4.21Å
359	S	93.8	Very high	89.4	Confident	1 Å²	1	75.8 Å²	75.8	1%	0.007	41%	0.408	C	S	.	.			trans	-68.2	138.5	173.9	66.1	0	0	0	0	110.6	C342 V343 T363	C342-S359 WeakPolarHBondContact CA-OG 2.93Å; V343-S359 PolarHBondContact N-OG 3.15Å; V343-S359 PolarHBondContact O-N 2.74Å; V343-S359 PolarHBondContact O-OG 2.99Å; S359-T363 WeakPolarHBondContact CA-OG1 3.2Å
360	T	90.1	Very high	89.7	Confident	63 Å²	63	69 Å²	69	39%	0.387	38%	0.378	S	S	.	.			trans	-121.7	173.1	171.9	64.2	0	0	0	0	109.9	S362 T363 G364 K365	T360-S362 PolarHBondContact O-N 2.79Å; T360-S362 PolarHBondContact OG1-OG 2.97Å; T360-T363 PolarHBondContact N-OG1 2.83Å; T360-T363 PolarHBondContact O-N 3.16Å; T360-T363 PolarHBondContact O-OG1 2.92Å; T360-G364 PolarHBondContact O-N 3.1Å; T360-K365 VanDerWaalsContact O-CB 3.29Å; T360-K365 WeakPolarHBondContact O-CB 3.45Å; T360-K365 PolarHBondContact O-N 3.17Å
361	A	86.3	Confident	90.3	Very high	97 Å²	97	68.9 Å²	68.9	80%	0.802	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-56.9	-30.8	175.3	0	0	0	0	0	112.6
362	S	85	Confident	91.3	Very high	112 Å²	112	61.4 Å²	61.4	78%	0.783	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-75.6	-26.4	177.3	59.4	0	0	0	0	113.4	T360	T360-S362 PolarHBondContact O-N 2.79Å; T360-S362 PolarHBondContact OG1-OG 2.97Å
363	T	86.6	Confident	91.9	Very high	40 Å²	40	58 Å²	58	25%	0.245	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-97	15.9	-179.6	70.3	0	0	0	0	112.8	S359 T360 W398 S407	S359-T363 WeakPolarHBondContact CA-OG1 3.2Å; T360-T363 PolarHBondContact N-OG1 2.83Å; T360-T363 PolarHBondContact O-N 3.16Å; T360-T363 PolarHBondContact O-OG1 2.92Å; T363-W398 WeakPolarHBondContact O-CZ3 3.48Å; T363-S407 WeakPolarHBondContact O-CB 3.45Å; T363-S407 PolarHBondContact O-OG 2.92Å
364	G	85.9	Confident	92.4	Very high	23 Å²	23	51 Å²	51	24%	0.237	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	83	31.3	175.1	0	0	0	0	0	116.3	T360 W398	T360-G364 PolarHBondContact O-N 3.1Å; G364-W398 WeakPolarHBondContact O-CH2 3.45Å
365	K	91.9	Very high	92.7	Very high	49 Å²	49	45.8 Å²	45.8	21%	0.213	26%	0.264	C	S	.	.			trans	-46.3	148.5	173.2	-174.5	-170.3	164.6	-178.9	0	113.4	D340 G341 C342 T360 R394	D340-K365 VanDerWaalsContact CG-NZ 3.28Å; D340-K365 WeakPolarHBondContact O-CE 3.41Å; D340-K365 PolarHBondContact O-NZ 2.95Å; D340-K365 IonicContact OD1-NZ 3.69Å; D340-K365 IonicContact OD2-NZ 3.9Å; D340-K365 PolarHBondContact OD2-NZ 2.73Å; G341-K365 WeakPolarHBondContact O-CG 3.48Å; C342-K365 VanDerWaalsContact SG-CD 3.51Å; C342-K365 WeakPolarHBondContact SG-CE 3.49Å; C342-K365 PolarHBondContact SG-NZ 3.03Å; C342-K365 VanDerWaalsContact SG-NZ 3.38Å; T360-K365 VanDerWaalsContact O-CB 3.29Å; T360-K365 WeakPolarHBondContact O-CB 3.45Å; T360-K365 PolarHBondContact O-N 3.17Å; K365-R394 PolarHBondContact O-NH2 2.96Å; K365-R394 VanDerWaalsContact O-NH2 3.13Å
366	H	94.6	Very high	92.6	Very high	4 Å²	4	45.9 Å²	45.9	2%	0.019	26%	0.262	C	S	.	.			trans	-64.9	150.8	170.1	-71.8	-78.6	0	0	0	112	G341 V370 S388 S390 D392 R394 V396	G341-H366 WeakPolarHBondContact O-CB 3.45Å; G341-H366 PolarHBondContact O-N 2.91Å; G341-H366 VanDerWaalsContact O-N 3.13Å; H366-V370 HydrophobicContact CB-CG2 4.12Å; H366-S388 PolarHBondContact NE2-OG 2.97Å; H366-S390 VanDerWaalsContact ND1-CB 3.25Å; H366-S390 WeakPolarHBondContact ND1-CB 3.49Å; H366-D392 WeakPolarHBondContact CA-OD2 3.13Å; H366-D392 WeakPolarHBondContact CB-OD2 3.38Å; H366-D392 IonicContact CE1-OD1 2.67Å; H366-D392 IonicContact CG-OD2 3.81Å; H366-D392 IonicContact ND1-OD1 2.61Å; H366-D392 PolarHBondContact ND1-OD1 3.06Å; H366-D392 VanDerWaalsContact ND1-OD1 3.17Å; H366-D392 IonicContact ND1-OD2 3.48Å; H366-D392 PolarHBondContact ND1-OD2 2.65Å; H366-R394 PolarHBondContact CE1-O 2.84Å; H366-V396 WeakPolarHBondContact CE1-CG2 2.84Å
367	T	93.2	Very high	92.2	Very high	102 Å²	102	47.4 Å²	47.4	63%	0.626	27%	0.268	S	S	*	.	S	Bend	trans	-84.5	-25.4	177	52.7	0	0	0	0	112.4	D392	T367-D392 PolarHBondContact N-OD2 2.77Å; T367-D392 VanDerWaalsContact N-OD2 3.13Å; T367-D392 WeakPolarHBondContact OG1-CB 3.33Å
368	D	93.6	Very high	91.9	Very high	70 Å²	70	48 Å²	48	37%	0.374	27%	0.274	S	S	.	.	S	Bend	trans	-126.7	170.4	-174.1	-69.1	-70.9	0	0	0	111.1	G341 V370 S390 D392	G341-D368 VanDerWaalsContact CA-O 3.26Å; G341-D368 WeakPolarHBondContact CA-O 3.15Å; D368-V370 PolarHBondContact O-N 3.26Å; D368-S390 VanDerWaalsContact C-OG 3.29Å; D368-S390 PolarHBondContact O-OG 3.02Å; D368-D392 HydrophobicContact CB-CB 4.05Å; D368-D392 WeakPolarHBondContact OD2-CB 3.37Å
369	P	95.2	Very high	91.3	Very high	14 Å²	14	45.8 Å²	45.8	9%	0.091	27%	0.267	C	S	.	.			trans	-53	137.5	-175.3	-27.2	33.9	0	0	0	113.8	L322 Y339 S390 S391	L322-P369 HydrophobicContact CD1-CB 3.51Å; Y339-P369 HydrophobicContact CD2-CB 4.01Å; Y339-P369 HydrophobicContact CD2-CG 3.66Å; Y339-P369 HydrophobicContact CE2-CB 4.31Å; Y339-P369 HydrophobicContact CE2-CG 3.52Å; Y339-P369 HydrophobicContact CG-CG 4.28Å; Y339-P369 WeakPolarHBondContact O-CA 3.42Å; Y339-P369 WeakPolarHBondContact O-CG 3.4Å; P369-S390 VanDerWaalsContact O-CA 3.31Å; P369-S390 WeakPolarHBondContact O-CA 3.39Å; P369-S390 WeakPolarHBondContact O-CB 3.27Å; P369-S390 PolarHBondContact O-OG 2.9Å; P369-S390 VanDerWaalsContact O-OG 3.06Å; P369-S391 PolarHBondContact O-N 2.92Å
370	V	96.9	Very high	90.5	Very high	0 Å²	0	54 Å²	54	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	109.6	176.3	-173.7	0	0	0	0	109.1	L322 C323 F338 V343 H366 D368 V373	L322-V370 WeakPolarHBondContact CB-O 3.44Å; C323-V370 PolarHBondContact SG-O 3.18Å; F338-V370 PolarHBondContact O-N 3.21Å; F338-V370 VanDerWaalsContact O-N 3.15Å; V343-V370 HydrophobicContact CG1-CG1 4.16Å; V343-V370 HydrophobicContact CG1-CG2 4.14Å; H366-V370 HydrophobicContact CB-CG2 4.12Å; D368-V370 PolarHBondContact O-N 3.26Å; V370-V373 HydrophobicContact CG1-CG1 4Å
371	W	96	Very high	90.1	Very high	77 Å²	77	57 Å²	57	29%	0.292	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	-28	-172.3	-70.1	109	0	0	0	114.7	Y290 L322 C323 V389 S391 T435	Y290-W371 HydrophobicContact CD1-CH2 4.47Å; Y290-W371 HydrophobicContact CD1-CZ3 4.1Å; Y290-W371 AromaticContact CE1-CZ3 3.88Å; Y290-W371 HydrophobicContact CE1-CZ3 3.88Å; L322-W371 HydrophobicContact CD1-CD2 4.49Å; L322-W371 HydrophobicContact CD1-CE3 4.16Å; L322-W371 HydrophobicContact CD1-CZ3 4.17Å; L322-W371 HydrophobicContact CD2-CZ3 4.42Å; C323-W371 VanDerWaalsContact CB-O 3.24Å; C323-W371 WeakPolarHBondContact CB-O 3.06Å; W371-V389 PolarHBondContact N-O 2.88Å; W371-S391 PolarHBondContact NE1-OG 3.46Å; W371-T435 WeakPolarHBondContact CB-O 3.45Å
372	Q	96.9	Very high	90	Very high	27 Å²	27	58.3 Å²	58.3	13%	0.126	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	137.1	176.4	-173.6	67.7	50.3	0	0	110.8	C323 R374 S388 V389 L437	C323-Q372 VanDerWaalsContact SG-C 3.59Å; C323-Q372 VanDerWaalsContact SG-CA 3.57Å; Q372-R374 HydrophobicContact CG-CG 4.33Å; Q372-R374 VanDerWaalsContact NE2-CZ 3.33Å; Q372-S388 WeakPolarHBondContact O-CA 3.33Å; Q372-V389 HydrophobicContact CB-CG1 3.67Å; Q372-V389 PolarHBondContact O-N 2.76Å; Q372-L437 HydrophobicContact CB-CB 4.29Å; Q372-L437 HydrophobicContact CG-CB 4.15Å; Q372-L437 WeakPolarHBondContact CG-O 3.46Å
373	V	97.2	Very high	90.2	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	144.9	166.8	-67.2	0	0	0	0	109.2	C323 D325 A335 V343 V370 C387	C323-V373 HydrophobicContact CB-CG2 4.32Å; D325-V373 HydrophobicContact CB-CG2 4.21Å; A335-V373 HydrophobicContact CB-CG2 4.4Å; V343-V373 HydrophobicContact CG1-CG1 4.4Å; V370-V373 HydrophobicContact CG1-CG1 4Å; V373-C387 CarbonylContact C-O 3.55Å; V373-C387 VanDerWaalsContact CA-O 3.29Å; V373-C387 WeakPolarHBondContact CA-O 3.5Å
374	R	96.2	Very high	90.5	Very high	34 Å²	34	55.5 Å²	55.5	13%	0.128	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	129.9	173.6	-72.7	-64.4	168	-171.2	-9.7	111.6	D325 Q372 F386 C387 L437 F439	D325-R374 IonicContact OD1-CZ 2.84Å; D325-R374 IonicContact OD1-NH1 3.08Å; D325-R374 PolarHBondContact OD1-NH1 3.45Å; D325-R374 WeakPolarHBondContact OD2-CA 3.33Å; Q372-R374 HydrophobicContact CG-CG 4.33Å; Q372-R374 VanDerWaalsContact NE2-CZ 3.33Å; R374-F386 CarbonylContact O-C 3.29Å; R374-F386 WeakPolarHBondContact O-CA 3.32Å; R374-F386 WeakPolarHBondContact O-CB 3.33Å; R374-C387 PolarHBondContact N-O 2.79Å; R374-C387 PolarHBondContact O-N 3.06Å; R374-L437 HydrophobicContact CB-CD2 3.92Å; R374-L437 HydrophobicContact CG-CD2 3.94Å; R374-F439 HydrophobicContact CB-CD2 3.89Å; R374-F439 HydrophobicContact CB-CE2 3.85Å
375	W	95.4	Very high	90.8	Very high	16 Å²	16	55.2 Å²	55.2	6%	0.061	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	149.6	170.3	-72.9	100.8	0	0	0	111.1	D325 I326 H327 L333 A335 V345 H384 F386 L400	D325-W375 PolarHBondContact O-NE1 3.46Å; D325-W375 PolarHBondContact OD2-N 3.24Å; I326-W375 VanDerWaalsContact C-CD1 3.49Å; H327-W375 HydrophobicContact CB-CD2 4.07Å; H327-W375 HydrophobicContact CB-CG 4.21Å; H327-W375 HydrophobicContact CB-CZ2 4.44Å; H327-W375 AromaticContact CD2-CD2 3.78Å; H327-W375 AromaticContact CD2-CE3 3.55Å; H327-W375 AromaticContact CD2-CZ3 3.87Å; L333-W375 HydrophobicContact CB-CZ2 4.39Å; A335-W375 HydrophobicContact CB-CZ2 3.65Å; V345-W375 HydrophobicContact CG1-CH2 4.2Å; V345-W375 HydrophobicContact CG1-CZ2 4.15Å; V345-W375 HydrophobicContact CG2-CH2 4.34Å; W375-H384 HydrophobicContact CZ3-CB 3.99Å; W375-F386 HydrophobicContact CD2-CB 3.98Å; W375-F386 HydrophobicContact CE3-CB 3.77Å; W375-F386 HydrophobicContact CE3-CD1 4.35Å; W375-F386 HydrophobicContact CG-CB 4.43Å; W375-F386 AromaticContact CH2-CD1 3.92Å; W375-F386 HydrophobicContact CH2-CD1 3.92Å; W375-F386 HydrophobicContact CZ2-CD1 4.48Å; W375-F386 HydrophobicContact CZ3-CB 4.14Å; W375-F386 AromaticContact CZ3-CD1 3.84Å; W375-F386 HydrophobicContact CZ3-CD1 3.84Å; W375-F386 HydrophobicContact CZ3-CG 4.44Å; W375-L400 HydrophobicContact CH2-CD1 4.07Å; W375-L400 HydrophobicContact CH2-CD2 4.19Å; W375-L400 HydrophobicContact CZ3-CD1 4.05Å
376	Q	90.5	Very high	91	Very high	31 Å²	31	52.9 Å²	52.9	15%	0.145	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	164.2	174.8	-175.9	-169.3	-9.5	0	0	109.2	M385	Q376-M385 HydrophobicContact CB-CG 4.04Å; Q376-M385 HydrophobicContact CB-SD 4.27Å; Q376-M385 HydrophobicContact CG-CG 4.41Å; Q376-M385 HydrophobicContact CG-SD 4.06Å; Q376-M385 PolarHBondContact N-O 3.15Å; Q376-M385 PolarHBondContact OE1-SD 2.98Å
377	N	85.6	Confident	91	Very high	85 Å²	85	52.7 Å²	52.7	46%	0.455	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-51	145.2	163.4	-63.1	-20.5	0	0	0	111.3	M385 D444	N377-M385 WeakPolarHBondContact O-CG 3.23Å; N377-D444 VanDerWaalsContact ND2-CG 3.32Å; N377-D444 PolarHBondContact ND2-OD1 3.45Å; N377-D444 PolarHBondContact ND2-OD2 3.28Å
378	D	85.8	Confident	91.2	Very high	53 Å²	53	47.8 Å²	47.8	28%	0.283	24%	0.24	S	C	.	.	P	Polyproline II helix	trans	-61.8	158	-176.8	-61.4	-22.8	0	0	0	112.5	N383 H384	D378-N383 WeakPolarHBondContact CA-O 3.3Å; D378-H384 VanDerWaalsContact CG-ND1 3.3Å; D378-H384 WeakPolarHBondContact OD1-CA 3.41Å; D378-H384 IonicContact OD1-CE1 2.72Å; D378-H384 IonicContact OD1-CG 2.86Å; D378-H384 IonicContact OD1-ND1 3.56Å; D378-H384 PolarHBondContact OD1-ND1 3.15Å; D378-H384 IonicContact OD2-CE1 2.7Å; D378-H384 PolarHBondContact OD2-CE1 3.27Å; D378-H384 IonicContact OD2-ND1 3.96Å; D378-H384 PolarHBondContact OD2-ND1 3.03Å
379	D	80.1	Confident	91.3	Very high	63 Å²	63	44.5 Å²	44.5	34%	0.337	22%	0.222	S	C	.	.	P	Polyproline II helix	trans	-68.2	170.9	175.6	-152.2	-9	0	0	0	111.9	D381 N382 N383 M385	D379-D381 PolarHBondContact O-N 2.8Å; D379-D381 VanDerWaalsContact O-N 3.1Å; D379-N382 WeakPolarHBondContact O-CA 3.19Å; D379-N382 PolarHBondContact O-N 3.37Å; D379-N383 HydrophobicContact CB-CB 4.38Å; D379-N383 PolarHBondContact N-O 3.21Å; D379-M385 HydrophobicContact CB-CE 3.43Å; D379-M385 VanDerWaalsContact CB-CE 3.43Å
380	M	78.1	Confident	91.4	Very high	174 Å²	174	43.8 Å²	43.8	86%	0.857	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-28.8	173.5	-63.7	-58.2	-59.8	0	0	112.9	N382	M380-N382 VanDerWaalsContact C-N 3.3Å
381	D	81.9	Confident	91.2	Very high	126 Å²	126	44.5 Å²	44.5	67%	0.674	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.1	10.3	176.4	-67.7	-29	0	0	0	113.4	D379 N383	D379-D381 PolarHBondContact O-N 2.8Å; D379-D381 VanDerWaalsContact O-N 3.1Å; D381-N383 PolarHBondContact O-N 3.04Å
382	N	84.1	Confident	91	Very high	125 Å²	125	41.7 Å²	41.7	67%	0.668	21%	0.213	S	C	*	.			trans	57.3	29.4	-173.3	-61.5	-46.3	0	0	0	114.2	D379 M380	D379-N382 WeakPolarHBondContact O-CA 3.19Å; D379-N382 PolarHBondContact O-N 3.37Å; M380-N382 VanDerWaalsContact C-N 3.3Å
383	N	89.6	Confident	90.6	Very high	45 Å²	45	40.4 Å²	40.4	24%	0.241	21%	0.207	C	C	.	.			trans	-83.8	133	170.5	-66.2	-45.9	0	0	0	109.7	D378 D379 D381 T399 V401	D378-N383 WeakPolarHBondContact CA-O 3.3Å; D379-N383 HydrophobicContact CB-CB 4.38Å; D379-N383 PolarHBondContact N-O 3.21Å; D381-N383 PolarHBondContact O-N 3.04Å; N383-T399 HydrophobicContact CB-CG2 3.62Å; N383-V401 HydrophobicContact CB-CG2 4.42Å
384	H	91.8	Very high	90.4	Very high	47 Å²	47	42.5 Å²	42.5	22%	0.218	22%	0.215	C	C	.	.			trans	-67.1	136	176.8	-56.9	-50.7	0	0	0	110.8	H327 L330 W375 D378 L400	H327-H384 AromaticContact NE2-ND1 3.54Å; L330-H384 VanDerWaalsContact CD1-CE1 3.45Å; L330-H384 WeakPolarHBondContact CD1-CE1 3.36Å; L330-H384 VanDerWaalsContact CD1-NE2 3.27Å; L330-H384 WeakPolarHBondContact CD1-NE2 3.3Å; W375-H384 HydrophobicContact CZ3-CB 3.99Å; D378-H384 VanDerWaalsContact CG-ND1 3.3Å; D378-H384 WeakPolarHBondContact OD1-CA 3.41Å; D378-H384 IonicContact OD1-CE1 2.72Å; D378-H384 IonicContact OD1-CG 2.86Å; D378-H384 IonicContact OD1-ND1 3.56Å; D378-H384 PolarHBondContact OD1-ND1 3.15Å; D378-H384 IonicContact OD2-CE1 2.7Å; D378-H384 PolarHBondContact OD2-CE1 3.27Å; D378-H384 IonicContact OD2-ND1 3.96Å; D378-H384 PolarHBondContact OD2-ND1 3.03Å; H384-L400 WeakPolarHBondContact O-CD1 3.38Å; H384-L400 PolarHBondContact O-N 3.22Å
385	M	93	Very high	90.3	Very high	17 Å²	17	40.9 Å²	40.9	8%	0.084	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	144.8	-178.8	56.8	165.3	68.9	0	0	112.8	Q376 N377 D379 T397 W398	Q376-M385 HydrophobicContact CB-CG 4.04Å; Q376-M385 HydrophobicContact CB-SD 4.27Å; Q376-M385 HydrophobicContact CG-CG 4.41Å; Q376-M385 HydrophobicContact CG-SD 4.06Å; Q376-M385 PolarHBondContact N-O 3.15Å; Q376-M385 PolarHBondContact OE1-SD 2.98Å; N377-M385 WeakPolarHBondContact O-CG 3.23Å; D379-M385 HydrophobicContact CB-CE 3.43Å; D379-M385 VanDerWaalsContact CB-CE 3.43Å; M385-T397 HydrophobicContact CB-CG2 4.35Å; M385-W398 VanDerWaalsContact CA-O 3.28Å; M385-W398 WeakPolarHBondContact CA-O 3.3Å
386	F	95.4	Very high	90.2	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	158.8	172.1	68.3	-88.3	0	0	0	110.2	A335 V343 V345 R374 W375 W398 L400 L405	A335-F386 HydrophobicContact CB-CD1 4.43Å; A335-F386 HydrophobicContact CB-CD2 4.23Å; A335-F386 HydrophobicContact CB-CE2 4.45Å; A335-F386 HydrophobicContact CB-CG 4.22Å; V343-F386 HydrophobicContact CB-CE2 4.11Å; V343-F386 HydrophobicContact CB-CZ 4.25Å; V343-F386 HydrophobicContact CG1-CE2 4.38Å; V343-F386 HydrophobicContact CG2-CE2 4.21Å; V343-F386 HydrophobicContact CG2-CZ 4.06Å; V345-F386 HydrophobicContact CG2-CD1 4.37Å; V345-F386 HydrophobicContact CG2-CE1 3.58Å; V345-F386 HydrophobicContact CG2-CZ 4.05Å; R374-F386 CarbonylContact O-C 3.29Å; R374-F386 WeakPolarHBondContact O-CA 3.32Å; R374-F386 WeakPolarHBondContact O-CB 3.33Å; W375-F386 HydrophobicContact CD2-CB 3.98Å; W375-F386 HydrophobicContact CE3-CB 3.77Å; W375-F386 HydrophobicContact CE3-CD1 4.35Å; W375-F386 HydrophobicContact CG-CB 4.43Å; W375-F386 AromaticContact CH2-CD1 3.92Å; W375-F386 HydrophobicContact CH2-CD1 3.92Å; W375-F386 HydrophobicContact CZ2-CD1 4.48Å; W375-F386 HydrophobicContact CZ3-CB 4.14Å; W375-F386 AromaticContact CZ3-CD1 3.84Å; W375-F386 HydrophobicContact CZ3-CD1 3.84Å; W375-F386 HydrophobicContact CZ3-CG 4.44Å; F386-W398 HydrophobicContact CD1-CB 3.95Å; F386-W398 HydrophobicContact CD2-CB 4.13Å; F386-W398 AromaticContact CD2-CD1 3.82Å; F386-W398 HydrophobicContact CD2-CG 4.26Å; F386-W398 HydrophobicContact CE1-CB 3.52Å; F386-W398 HydrophobicContact CE1-CG 4.25Å; F386-W398 HydrophobicContact CE2-CB 3.72Å; F386-W398 AromaticContact CE2-CD1 3.34Å; F386-W398 AromaticContact CE2-CG 3.61Å; F386-W398 HydrophobicContact CE2-CG 3.61Å; F386-W398 HydrophobicContact CG-CB 4.24Å; F386-W398 HydrophobicContact CZ-CB 3.39Å; F386-W398 AromaticContact CZ-CD1 3.85Å; F386-W398 HydrophobicContact CZ-CD2 4.45Å; F386-W398 AromaticContact CZ-CG 3.61Å; F386-W398 HydrophobicContact CZ-CG 3.61Å; F386-W398 PolarHBondContact N-O 3.49Å; F386-W398 PolarHBondContact O-N 3.4Å; F386-L400 HydrophobicContact CD1-CD1 3.75Å; F386-L400 HydrophobicContact CE1-CD1 3.68Å; F386-L405 HydrophobicContact CE1-CD1 3.95Å; F386-L405 HydrophobicContact CZ-CD1 4.3Å; F386-L405 HydrophobicContact CZ-CD2 4.4Å
387	C	95.8	Very high	90.4	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	148.4	176.8	-63.2	0	0	0	0	110.4	V373 R374 V396 T397 F439 K461	V373-C387 CarbonylContact C-O 3.55Å; V373-C387 VanDerWaalsContact CA-O 3.29Å; V373-C387 WeakPolarHBondContact CA-O 3.5Å; R374-C387 PolarHBondContact N-O 2.79Å; R374-C387 PolarHBondContact O-N 3.06Å; C387-V396 CarbonylContact C-O 3.59Å; C387-V396 VanDerWaalsContact CA-O 3.28Å; C387-V396 WeakPolarHBondContact CA-O 3.09Å; C387-T397 PolarHBondContact SG-OG1 2.98Å; C387-F439 HydrophobicContact CB-CE2 3.88Å; C387-F439 HydrophobicContact CB-CZ 3.6Å; C387-F439 WeakPolarHBondContact SG-CZ 3.44Å; C387-K461 PolarHBondContact SG-NZ 3.15Å
388	S	96.8	Very high	90.9	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	151.8	173.6	59.7	0	0	0	0	111.4	H366 Q372 V395 V396 W398	H366-S388 PolarHBondContact NE2-OG 2.97Å; Q372-S388 WeakPolarHBondContact O-CA 3.33Å; S388-V395 WeakPolarHBondContact O-CA 3.38Å; S388-V396 PolarHBondContact N-O 2.98Å; S388-V396 PolarHBondContact O-N 3.5Å; S388-W398 PolarHBondContact OG-NE1 3.45Å
389	V	96.2	Very high	91.3	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	139.8	169.4	62.8	0	0	0	0	109.4	W371 Q372 V395 L437 V449	W371-V389 PolarHBondContact N-O 2.88Å; Q372-V389 HydrophobicContact CB-CG1 3.67Å; Q372-V389 PolarHBondContact O-N 2.76Å; V389-V395 HydrophobicContact CG2-CG2 4.24Å; V389-L437 HydrophobicContact CB-CB 4.26Å; V389-L437 HydrophobicContact CB-CD1 4.27Å; V389-L437 HydrophobicContact CG1-CB 3.74Å; V389-V449 HydrophobicContact CG2-CG1 4Å
390	S	95.8	Very high	91.9	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	161.3	-179.3	169.2	0	0	0	0	111.2	H366 D368 P369 D392 G393 R394 G434	H366-S390 VanDerWaalsContact ND1-CB 3.25Å; H366-S390 WeakPolarHBondContact ND1-CB 3.49Å; D368-S390 VanDerWaalsContact C-OG 3.29Å; D368-S390 PolarHBondContact O-OG 3.02Å; P369-S390 VanDerWaalsContact O-CA 3.31Å; P369-S390 WeakPolarHBondContact O-CA 3.39Å; P369-S390 WeakPolarHBondContact O-CB 3.27Å; P369-S390 PolarHBondContact O-OG 2.9Å; P369-S390 VanDerWaalsContact O-OG 3.06Å; S390-D392 VanDerWaalsContact CB-OD1 3.31Å; S390-D392 WeakPolarHBondContact CB-OD1 3.5Å; S390-D392 PolarHBondContact O-N 3.24Å; S390-D392 VanDerWaalsContact O-N 3.16Å; S390-D392 PolarHBondContact OG-N 3.15Å; S390-D392 VanDerWaalsContact OG-N 3.13Å; S390-D392 PolarHBondContact OG-OD1 3.2Å; S390-G393 PolarHBondContact O-N 3.19Å; S390-R394 PolarHBondContact N-O 2.98Å; S390-G434 CarbonylContact C-O 3.59Å; S390-G434 PolarHBondContact O-N 2.9Å
391	S	93.4	Very high	92.4	Very high	15 Å²	15	24.9 Å²	24.9	11%	0.105	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-16.3	168.5	-26	0	0	0	0	112	P369 W371 G393 H433	P369-S391 PolarHBondContact O-N 2.92Å; W371-S391 PolarHBondContact NE1-OG 3.46Å; S391-G393 PolarHBondContact O-N 3.31Å; S391-H433 PolarHBondContact O-ND1 3.31Å
392	D	91.4	Very high	92.5	Very high	17 Å²	17	27.5 Å²	27.5	9%	0.091	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	0.7	176.4	70.4	6.7	0	0	0	113.9	H366 T367 D368 S390 R394	H366-D392 WeakPolarHBondContact CA-OD2 3.13Å; H366-D392 WeakPolarHBondContact CB-OD2 3.38Å; H366-D392 IonicContact CE1-OD1 2.67Å; H366-D392 IonicContact CG-OD2 3.81Å; H366-D392 IonicContact ND1-OD1 2.61Å; H366-D392 PolarHBondContact ND1-OD1 3.06Å; H366-D392 VanDerWaalsContact ND1-OD1 3.17Å; H366-D392 IonicContact ND1-OD2 3.48Å; H366-D392 PolarHBondContact ND1-OD2 2.65Å; T367-D392 PolarHBondContact N-OD2 2.77Å; T367-D392 VanDerWaalsContact N-OD2 3.13Å; T367-D392 WeakPolarHBondContact OG1-CB 3.33Å; D368-D392 HydrophobicContact CB-CB 4.05Å; D368-D392 WeakPolarHBondContact OD2-CB 3.37Å; S390-D392 VanDerWaalsContact CB-OD1 3.31Å; S390-D392 WeakPolarHBondContact CB-OD1 3.5Å; S390-D392 PolarHBondContact O-N 3.24Å; S390-D392 VanDerWaalsContact O-N 3.16Å; S390-D392 PolarHBondContact OG-N 3.15Å; S390-D392 VanDerWaalsContact OG-N 3.13Å; S390-D392 PolarHBondContact OG-OD1 3.2Å; D392-R394 PolarHBondContact O-N 3.13Å; D392-R394 VanDerWaalsContact OD1-CB 3.26Å; D392-R394 WeakPolarHBondContact OD1-CB 3.17Å; D392-R394 PolarHBondContact OD1-N 3.27Å; D392-R394 IonicContact OD1-NE 3.7Å; D392-R394 IonicContact OD2-CZ 3.71Å; D392-R394 IonicContact OD2-NE 2.64Å; D392-R394 PolarHBondContact OD2-NE 2.99Å; D392-R394 IonicContact OD2-NH2 3.61Å; D392-R394 PolarHBondContact OD2-NH2 3.13Å
393	G	89.4	Confident	92.4	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.01	14%	0.143	C	C	.	.	S	Bend	trans	74.4	13.4	179.2	0	0	0	0	0	113.3	S390 S391 R412 L413 S432	S390-G393 PolarHBondContact O-N 3.19Å; S391-G393 PolarHBondContact O-N 3.31Å; G393-R412 CarbonylContact O-C 3.33Å; G393-R412 WeakPolarHBondContact O-CA 3.24Å; G393-L413 WeakPolarHBondContact O-CB 3.48Å; G393-L413 WeakPolarHBondContact O-CG 3.28Å; G393-L413 PolarHBondContact O-N 2.87Å; G393-S432 WeakPolarHBondContact CA-O 3.27Å
394	R	92.2	Very high	92.2	Very high	43 Å²	43	33.2 Å²	33.2	16%	0.162	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	136.6	175	-57.8	-176.4	-72.9	170.3	-6.2	110.7	K365 H366 S390 D392 V396 R412	K365-R394 PolarHBondContact O-NH2 2.96Å; K365-R394 VanDerWaalsContact O-NH2 3.13Å; H366-R394 PolarHBondContact CE1-O 2.84Å; S390-R394 PolarHBondContact N-O 2.98Å; D392-R394 PolarHBondContact O-N 3.13Å; D392-R394 VanDerWaalsContact OD1-CB 3.26Å; D392-R394 WeakPolarHBondContact OD1-CB 3.17Å; D392-R394 PolarHBondContact OD1-N 3.27Å; D392-R394 IonicContact OD1-NE 3.7Å; D392-R394 IonicContact OD2-CZ 3.71Å; D392-R394 IonicContact OD2-NE 2.64Å; D392-R394 PolarHBondContact OD2-NE 2.99Å; D392-R394 IonicContact OD2-NH2 3.61Å; D392-R394 PolarHBondContact OD2-NH2 3.13Å; R394-V396 HydrophobicContact CB-CG2 3.98Å; R394-R412 HydrophobicContact CG-CG 4.35Å
395	V	94.1	Very high	92.2	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	118.1	162.8	-176	0	0	0	0	107.3	S388 V389 I410 I411 L413 L437 F447 V449	S388-V395 WeakPolarHBondContact O-CA 3.38Å; V389-V395 HydrophobicContact CG2-CG2 4.24Å; V395-I410 HydrophobicContact CG1-CD1 4Å; V395-I410 PolarHBondContact O-N 2.88Å; V395-I411 HydrophobicContact CB-CG2 3.81Å; V395-I411 HydrophobicContact CG2-CG2 3.85Å; V395-I411 PolarHBondContact N-O 3.08Å; V395-I411 PolarHBondContact O-N 2.88Å; V395-L413 HydrophobicContact CG2-CD2 4.38Å; V395-L437 HydrophobicContact CG1-CD1 3.74Å; V395-F447 HydrophobicContact CG1-CE2 4.01Å; V395-F447 HydrophobicContact CG1-CZ 4.33Å; V395-V449 HydrophobicContact CG2-CG2 4.12Å
396	V	94.6	Very high	92.2	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	132.6	-171.3	179.8	0	0	0	0	109.5	H366 C387 S388 R394 W398 S408 D409	H366-V396 WeakPolarHBondContact CE1-CG2 2.84Å; C387-V396 CarbonylContact C-O 3.59Å; C387-V396 VanDerWaalsContact CA-O 3.28Å; C387-V396 WeakPolarHBondContact CA-O 3.09Å; S388-V396 PolarHBondContact N-O 2.98Å; S388-V396 PolarHBondContact O-N 3.5Å; R394-V396 HydrophobicContact CB-CG2 3.98Å; V396-W398 HydrophobicContact CB-CZ2 4.44Å; V396-W398 HydrophobicContact CG1-CD2 4.16Å; V396-W398 HydrophobicContact CG1-CZ2 3.84Å; V396-S408 WeakPolarHBondContact CA-O 3.5Å; V396-D409 WeakPolarHBondContact CG2-OD1 3.34Å
397	T	94.2	Very high	92.1	Very high	19 Å²	19	37.5 Å²	37.5	12%	0.117	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	136.9	165.9	-58.8	0	0	0	0	109.3	M385 C387 S407 S408 I410	M385-T397 HydrophobicContact CB-CG2 4.35Å; C387-T397 PolarHBondContact SG-OG1 2.98Å; T397-S407 CarbonylContact O-C 3.58Å; T397-S407 WeakPolarHBondContact O-CA 3.42Å; T397-S408 PolarHBondContact N-O 2.82Å; T397-S408 PolarHBondContact O-N 3.36Å; T397-I410 WeakPolarHBondContact OG1-CD1 3.49Å; T397-I410 WeakPolarHBondContact OG1-CG1 3.46Å
398	W	95	Very high	91.9	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	122.7	174.5	-57.3	91	0	0	0	109.3	V343 T363 G364 M385 F386 S388 V396 L405 M406 S407	V343-W398 HydrophobicContact CG1-CZ2 4.43Å; V343-W398 HydrophobicContact CG2-CD2 3.67Å; V343-W398 VanDerWaalsContact CG2-CE2 3.43Å; V343-W398 HydrophobicContact CG2-CE3 4.04Å; V343-W398 HydrophobicContact CG2-CG 4.21Å; V343-W398 HydrophobicContact CG2-CH2 3.92Å; V343-W398 HydrophobicContact CG2-CZ2 3.59Å; V343-W398 HydrophobicContact CG2-CZ3 4.12Å; T363-W398 WeakPolarHBondContact O-CZ3 3.48Å; G364-W398 WeakPolarHBondContact O-CH2 3.45Å; M385-W398 VanDerWaalsContact CA-O 3.28Å; M385-W398 WeakPolarHBondContact CA-O 3.3Å; F386-W398 HydrophobicContact CD1-CB 3.95Å; F386-W398 HydrophobicContact CD2-CB 4.13Å; F386-W398 AromaticContact CD2-CD1 3.82Å; F386-W398 HydrophobicContact CD2-CG 4.26Å; F386-W398 HydrophobicContact CE1-CB 3.52Å; F386-W398 HydrophobicContact CE1-CG 4.25Å; F386-W398 HydrophobicContact CE2-CB 3.72Å; F386-W398 AromaticContact CE2-CD1 3.34Å; F386-W398 AromaticContact CE2-CG 3.61Å; F386-W398 HydrophobicContact CE2-CG 3.61Å; F386-W398 HydrophobicContact CG-CB 4.24Å; F386-W398 HydrophobicContact CZ-CB 3.39Å; F386-W398 AromaticContact CZ-CD1 3.85Å; F386-W398 HydrophobicContact CZ-CD2 4.45Å; F386-W398 AromaticContact CZ-CG 3.61Å; F386-W398 HydrophobicContact CZ-CG 3.61Å; F386-W398 PolarHBondContact N-O 3.49Å; F386-W398 PolarHBondContact O-N 3.4Å; S388-W398 PolarHBondContact OG-NE1 3.45Å; V396-W398 HydrophobicContact CB-CZ2 4.44Å; V396-W398 HydrophobicContact CG1-CD2 4.16Å; V396-W398 HydrophobicContact CG1-CZ2 3.84Å; W398-L405 HydrophobicContact CB-CD1 4.06Å; W398-L405 HydrophobicContact CB-CG 4.33Å; W398-L405 HydrophobicContact CD2-CD2 4.11Å; W398-L405 HydrophobicContact CD2-CG 4.43Å; W398-L405 HydrophobicContact CE3-CD2 3.5Å; W398-L405 HydrophobicContact CE3-CG 3.68Å; W398-L405 HydrophobicContact CZ3-CD2 3.95Å; W398-L405 HydrophobicContact CZ3-CG 4.37Å; W398-M406 WeakPolarHBondContact CA-O 3.42Å; W398-S407 VanDerWaalsContact CZ3-CB 3.46Å
399	T	93.9	Very high	91.6	Very high	20 Å²	20	43.8 Å²	43.8	12%	0.123	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	126.7	176.7	-51.4	0	0	0	0	109.2	N383 V401 M406	N383-T399 HydrophobicContact CB-CG2 3.62Å; T399-V401 HydrophobicContact CG2-CG2 3.76Å; T399-V401 PolarHBondContact O-N 2.99Å; T399-M406 PolarHBondContact N-O 2.92Å; T399-M406 PolarHBondContact O-N 3.15Å
400	L	92.7	Very high	91.3	Very high	10 Å²	10	44.4 Å²	44.4	5%	0.052	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	108.5	176.2	-75.5	71.4	0	0	0	108.5	V345 Y357 W375 H384 F386 L405	V345-L400 HydrophobicContact CG1-CD2 4.3Å; V345-L400 HydrophobicContact CG2-CD1 4.48Å; V345-L400 HydrophobicContact CG2-CD2 4.47Å; Y357-L400 HydrophobicContact CD2-CD2 3.85Å; Y357-L400 HydrophobicContact CD2-CG 4.24Å; Y357-L400 HydrophobicContact CE2-CD2 3.67Å; Y357-L400 HydrophobicContact CE2-CG 4.22Å; W375-L400 HydrophobicContact CH2-CD1 4.07Å; W375-L400 HydrophobicContact CH2-CD2 4.19Å; W375-L400 HydrophobicContact CZ3-CD1 4.05Å; H384-L400 WeakPolarHBondContact O-CD1 3.38Å; H384-L400 PolarHBondContact O-N 3.22Å; F386-L400 HydrophobicContact CD1-CD1 3.75Å; F386-L400 HydrophobicContact CE1-CD1 3.68Å; L400-L405 HydrophobicContact CD1-CD1 3.9Å; L400-L405 HydrophobicContact CG-CD1 4.09Å
401	V	89.2	Confident	91	Very high	37 Å²	37	44.6 Å²	44.6	22%	0.224	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	107.3	179.3	179.6	0	0	0	0	109.9	N383 T399 N403 E404 M406	N383-V401 HydrophobicContact CB-CG2 4.42Å; T399-V401 HydrophobicContact CG2-CG2 3.76Å; T399-V401 PolarHBondContact O-N 2.99Å; V401-N403 PolarHBondContact O-N 3.26Å; V401-E404 PolarHBondContact N-O 2.94Å; V401-E404 PolarHBondContact O-N 3.45Å; V401-M406 HydrophobicContact CB-CE 3.7Å; V401-M406 HydrophobicContact CG1-CE 4.08Å; V401-M406 HydrophobicContact CG2-CE 3.23Å
402	K	84	Confident	90.8	Very high	181 Å²	181	51.4 Å²	51.4	79%	0.787	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	-101	-177.1	-61.8	178	179.5	174.8	0	111.7	Y357	Y357-K402 WeakPolarHBondContact CE1-O 3.46Å; Y357-K402 PolarHBondContact OH-O 3.21Å
403	N	81.8	Confident	90.5	Very high	148 Å²	148	50.7 Å²	50.7	79%	0.791	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.1	5.2	-178.7	-73.1	13.7	0	0	0	113.1	V401	V401-N403 PolarHBondContact O-N 3.26Å
404	E	86.6	Confident	90.1	Very high	143 Å²	143	52.4 Å²	52.4	67%	0.668	27%	0.265	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119	148	-177.6	-66.5	-176.1	176.4	0	0	111	V401	V401-E404 PolarHBondContact N-O 2.94Å; V401-E404 PolarHBondContact O-N 3.45Å
405	L	91.9	Very high	89	Confident	9 Å²	9	52 Å²	52	5%	0.047	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	108.4	175.4	-168.8	72	0	0	0	108.2	V343 F386 W398 L400	V343-L405 HydrophobicContact CG2-CD2 3.84Å; F386-L405 HydrophobicContact CE1-CD1 3.95Å; F386-L405 HydrophobicContact CZ-CD1 4.3Å; F386-L405 HydrophobicContact CZ-CD2 4.4Å; W398-L405 HydrophobicContact CB-CD1 4.06Å; W398-L405 HydrophobicContact CB-CG 4.33Å; W398-L405 HydrophobicContact CD2-CD2 4.11Å; W398-L405 HydrophobicContact CD2-CG 4.43Å; W398-L405 HydrophobicContact CE3-CD2 3.5Å; W398-L405 HydrophobicContact CE3-CG 3.68Å; W398-L405 HydrophobicContact CZ3-CD2 3.95Å; W398-L405 HydrophobicContact CZ3-CG 4.37Å; L400-L405 HydrophobicContact CD1-CD1 3.9Å; L400-L405 HydrophobicContact CG-CD1 4.09Å
406	M	91.7	Very high	87.2	Confident	99 Å²	99	59.3 Å²	59.3	49%	0.488	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	126.4	-179.7	-69.2	-160.8	-75.7	0	0	110.7	W398 T399 V401	W398-M406 WeakPolarHBondContact CA-O 3.42Å; T399-M406 PolarHBondContact N-O 2.92Å; T399-M406 PolarHBondContact O-N 3.15Å; V401-M406 HydrophobicContact CB-CE 3.7Å; V401-M406 HydrophobicContact CG1-CE 4.08Å; V401-M406 HydrophobicContact CG2-CE 3.23Å
407	S	93.1	Very high	85	Confident	46 Å²	46	62.5 Å²	62.5	32%	0.322	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	138.5	176.6	64.9	0	0	0	0	111.9	T363 T397 W398	T363-S407 WeakPolarHBondContact O-CB 3.45Å; T363-S407 PolarHBondContact O-OG 2.92Å; T397-S407 CarbonylContact O-C 3.58Å; T397-S407 WeakPolarHBondContact O-CA 3.42Å; W398-S407 VanDerWaalsContact CZ3-CB 3.46Å
408	S	91.8	Very high	82.2	Confident	76 Å²	76	65.3 Å²	65.3	53%	0.531	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	123.6	169.7	-173.9	0	0	0	0	110.7	V396 T397 I410	V396-S408 WeakPolarHBondContact CA-O 3.5Å; T397-S408 PolarHBondContact N-O 2.82Å; T397-S408 PolarHBondContact O-N 3.36Å; S408-I410 PolarHBondContact O-N 3.39Å
409	D	90	Very high	79.4	Confident	56 Å²	56	71.6 Å²	71.6	30%	0.299	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	115.4	176.4	-75.7	3.7	0	0	0	109.4	V396 R412	V396-D409 WeakPolarHBondContact CG2-OD1 3.34Å; D409-R412 IonicContact OD2-CZ 2.68Å; D409-R412 IonicContact OD2-NE 3.87Å; D409-R412 PolarHBondContact OD2-NE 3.48Å; D409-R412 IonicContact OD2-NH2 3.03Å; D409-R412 PolarHBondContact OD2-NH2 2.97Å
410	I	89.9	Confident	76.8	Confident	12 Å²	12	76 Å²	76	6%	0.062	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	-51.5	175.3	-53	174.8	0	0	0	110	V395 T397 S408 F447 S464	V395-I410 HydrophobicContact CG1-CD1 4Å; V395-I410 PolarHBondContact O-N 2.88Å; T397-I410 WeakPolarHBondContact OG1-CD1 3.49Å; T397-I410 WeakPolarHBondContact OG1-CG1 3.46Å; S408-I410 PolarHBondContact O-N 3.39Å; I410-F447 HydrophobicContact CG2-CE1 4.17Å; I410-F447 HydrophobicContact CG2-CZ 4.01Å; I410-S464 WeakPolarHBondContact O-CA 3.46Å; I410-S464 WeakPolarHBondContact O-CB 3.41Å
411	I	89.8	Confident	74.4	Confident	4 Å²	4	83.8 Å²	83.8	2%	0.021	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	148.2	-176.1	-170	156.7	0	0	0	110.3	V395 F447 F467	V395-I411 HydrophobicContact CB-CG2 3.81Å; V395-I411 HydrophobicContact CG2-CG2 3.85Å; V395-I411 PolarHBondContact N-O 3.08Å; V395-I411 PolarHBondContact O-N 2.88Å; I411-F447 HydrophobicContact CG2-CE2 4.47Å; I411-F447 HydrophobicContact CG2-CZ 4.13Å; I411-F467 HydrophobicContact CD1-CD1 3.51Å; I411-F467 HydrophobicContact CD1-CE1 3.56Å; I411-F467 HydrophobicContact CG1-CD1 4.41Å; I411-F467 HydrophobicContact CG1-CE1 3.96Å
412	R	88.8	Confident	72	Confident	158 Å²	158	84.8 Å²	84.8	60%	0.596	49%	0.489	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.5	120.8	171.5	-64.3	-170.2	178.1	-179	-0.9	110	G393 R394 D409 S414	G393-R412 CarbonylContact O-C 3.33Å; G393-R412 WeakPolarHBondContact O-CA 3.24Å; R394-R412 HydrophobicContact CG-CG 4.35Å; D409-R412 IonicContact OD2-CZ 2.68Å; D409-R412 IonicContact OD2-NE 3.87Å; D409-R412 PolarHBondContact OD2-NE 3.48Å; D409-R412 IonicContact OD2-NH2 3.03Å; D409-R412 PolarHBondContact OD2-NH2 2.97Å; R412-S414 PolarHBondContact O-N 2.99Å; R412-S414 VanDerWaalsContact O-N 3.15Å
413	L	86.6	Confident	69.9	Low	2 Å²	2	81.7 Å²	81.7	1%	0.01	49%	0.49	C	S	.	.			trans	-72.9	101.8	179.3	-52.2	-179.9	0	0	0	108.4	G393 V395 S432 V449 T451 Y457 F467	G393-L413 WeakPolarHBondContact O-CB 3.48Å; G393-L413 WeakPolarHBondContact O-CG 3.28Å; G393-L413 PolarHBondContact O-N 2.87Å; V395-L413 HydrophobicContact CG2-CD2 4.38Å; L413-S432 VanDerWaalsContact CB-O 3.32Å; L413-S432 WeakPolarHBondContact CB-O 3.38Å; L413-S432 PolarHBondContact O-N 2.79Å; L413-V449 HydrophobicContact CD1-CG1 3.83Å; L413-V449 HydrophobicContact CD2-CG1 4.29Å; L413-T451 HydrophobicContact CD1-CG2 4.41Å; L413-Y457 HydrophobicContact CD2-CD2 3.97Å; L413-F467 HydrophobicContact CD2-CE1 3.99Å; L413-F467 HydrophobicContact CD2-CZ 4.47Å
414	S	80.9	Confident	68.1	Low	37 Å²	37	83 Å²	83	26%	0.259	49%	0.491	S	S	.	.	B	Isolated β-bridge	trans	-122.2	137.4	177.8	53	0	0	0	0	110.6	R412 K416	R412-S414 PolarHBondContact O-N 2.99Å; R412-S414 VanDerWaalsContact O-N 3.15Å; S414-K416 PolarHBondContact O-N 3.49Å
415	V	67.9	Low	65.8	Low	36 Å²	36	83.7 Å²	83.7	22%	0.218	50%	0.5	C	S	.	.			trans	-77.4	113.5	175.1	-173.7	0	0	0	0	108.6	A430 S432 E453	V415-A430 HydrophobicContact CB-CB 4.11Å; V415-A430 HydrophobicContact CG2-CB 4.18Å; V415-A430 PolarHBondContact N-O 2.92Å; V415-S432 WeakPolarHBondContact CG2-OG 3.39Å; V415-E453 WeakPolarHBondContact CG2-OE1 3.37Å
416	K	57.2	Low	63.4	Low	153 Å²	153	88.6 Å²	88.6	67%	0.665	54%	0.535	S	S	*	.	S	Bend	trans	-84.2	112.1	165.8	-69.5	-176.5	179.5	178.5	0	108.4	S414	S414-K416 PolarHBondContact O-N 3.49Å
417	G	47.3	Very low	61.2	Low	67 Å²	67	91.6 Å²	91.6	69%	0.691	55%	0.548	S	S	*	.			trans	132.8	25.3	168.3	0	0	0	0	0	118.6	P419	G417-P419 WeakPolarHBondContact O-CD 3.35Å
418	A	35.9	Very low	58.7	Low	77 Å²	77	98 Å²	98	64%	0.636	57%	0.574	S	S	*	*			trans	-66.1	125.2	162.6	0	0	0	0	0	108.8	S420	A418-S420 PolarHBondContact O-N 3.1Å; A418-S420 VanDerWaalsContact O-N 3.08Å
419	P	36.7	Very low	57	Low	132 Å²	132	98.9 Å²	98.9	86%	0.857	58%	0.577	S	S	*	*			trans	-68.4	109.3	175.2	27.3	-30.5	0	0	0	108.3	G417 D421	G417-P419 WeakPolarHBondContact O-CD 3.35Å; P419-D421 PolarHBondContact O-N 3.15Å
420	S	39.4	Very low	55.8	Low	112 Å²	112	98.6 Å²	98.6	78%	0.783	58%	0.583	S	S	*	*			trans	-87.3	96.9	170.5	58.2	0	0	0	0	109.1	A418 G422	A418-S420 PolarHBondContact O-N 3.1Å; A418-S420 VanDerWaalsContact O-N 3.08Å; S420-G422 PolarHBondContact O-N 3.32Å
421	D	41.5	Very low	55.3	Low	174 Å²	174	101.2 Å²	101.2	93%	0.93	60%	0.599	S	S	*	*			trans	-77.6	103.6	150.5	-110.1	-13.7	0	0	0	107.2	P419	P419-D421 PolarHBondContact O-N 3.15Å
422	G	40.3	Very low	55.1	Low	59 Å²	59	101 Å²	101	61%	0.608	60%	0.598	S	S	*	*	S	Bend	trans	96.5	124.6	159.1	0	0	0	0	0	118.8	S420	S420-G422 PolarHBondContact O-N 3.32Å
423	S	39	Very low	55.3	Low	115 Å²	115	97.1 Å²	97.1	80%	0.804	59%	0.586	S	S	*	*			trans	70.7	120.1	161.8	65.9	0	0	0	0	119.2	D425	S423-D425 VanDerWaalsContact C-N 3.3Å; S423-D425 PolarHBondContact O-N 2.92Å
424	E	44.8	Very low	55.6	Low	176 Å²	176	97 Å²	97	82%	0.822	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.2	10.6	-170.3	-65.3	-153.6	140.8	0	0	116.5
425	D	37.4	Very low	56.2	Low	158 Å²	158	96.1 Å²	96.1	85%	0.845	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.8	16.1	-170.8	-102.9	-12.3	0	0	0	115.5	S423	S423-D425 VanDerWaalsContact C-N 3.3Å; S423-D425 PolarHBondContact O-N 2.92Å
426	S	41.1	Very low	57.5	Low	111 Å²	111	94.5 Å²	94.5	78%	0.776	57%	0.569	S	S	*	*			trans	-149.5	51.2	173	-71	0	0	0	0	113.3	M428	S426-M428 PolarHBondContact O-N 2.98Å
427	Q	45.6	Very low	59.4	Low	163 Å²	163	87.3 Å²	87.3	76%	0.762	54%	0.538	S	S	*	.			trans	-67.9	77.4	168.9	-72.6	-177	0.9	0	0	110.8	T429	Q427-T429 PolarHBondContact O-N 2.81Å; Q427-T429 VanDerWaalsContact O-N 3.11Å
428	M	40.6	Very low	61.7	Low	179 Å²	179	84.4 Å²	84.4	88%	0.882	51%	0.506	S	S	*	.			trans	-69.6	100.1	155.7	-90.4	-175.8	66.2	0	0	107.1	S426 A430	S426-M428 PolarHBondContact O-N 2.98Å; M428-A430 PolarHBondContact O-N 2.85Å; M428-A430 VanDerWaalsContact O-N 3.13Å
429	T	55.8	Low	64.5	Low	95 Å²	95	81.7 Å²	81.7	58%	0.583	48%	0.48	S	S	*	.			trans	-58.1	114.9	165.2	37	0	0	0	0	108	Q427 V431	Q427-T429 PolarHBondContact O-N 2.81Å; Q427-T429 VanDerWaalsContact O-N 3.11Å; T429-V431 PolarHBondContact O-N 2.91Å; T429-V431 VanDerWaalsContact O-N 3.13Å
430	A	65.1	Low	67.3	Low	51 Å²	51	75.8 Å²	75.8	42%	0.421	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-60	119.5	173.6	0	0	0	0	0	108.4	V415 M428	V415-A430 HydrophobicContact CB-CB 4.11Å; V415-A430 HydrophobicContact CG2-CB 4.18Å; V415-A430 PolarHBondContact N-O 2.92Å; M428-A430 PolarHBondContact O-N 2.85Å; M428-A430 VanDerWaalsContact O-N 3.13Å
431	V	80.3	Confident	69.7	Low	67 Å²	67	75 Å²	75	41%	0.406	42%	0.424	S	S	.	.	B	Isolated β-bridge	trans	-84.1	129.3	-179.3	179.8	0	0	0	0	107.8	T429	T429-V431 PolarHBondContact O-N 2.91Å; T429-V431 VanDerWaalsContact O-N 3.13Å
432	S	85.6	Confident	72	Confident	0 Å²	0	72.7 Å²	72.7	0%	0	41%	0.407	C	S	.	.	P	Polyproline II helix	trans	-86.6	134.1	171.4	-64.2	0	0	0	0	109.7	G393 L413 V415 E453 Y457	G393-S432 WeakPolarHBondContact CA-O 3.27Å; L413-S432 VanDerWaalsContact CB-O 3.32Å; L413-S432 WeakPolarHBondContact CB-O 3.38Å; L413-S432 PolarHBondContact O-N 2.79Å; V415-S432 WeakPolarHBondContact CG2-OG 3.39Å; S432-E453 WeakPolarHBondContact CA-OE1 3.48Å; S432-E453 WeakPolarHBondContact CB-OE1 3.32Å; S432-E453 PolarHBondContact OG-OE1 2.87Å; S432-Y457 PolarHBondContact OG-OH 2.87Å
433	H	91.8	Very high	74.5	Confident	75 Å²	75	72.5 Å²	72.5	35%	0.347	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-86.8	124.4	-178.7	-52.2	-60.9	0	0	0	110.2	S391 T451 E452	S391-H433 PolarHBondContact O-ND1 3.31Å; H433-T451 CarbonylContact O-C 3.59Å; H433-T451 WeakPolarHBondContact O-CA 3.36Å; H433-T451 VanDerWaalsContact O-CB 3.28Å; H433-T451 WeakPolarHBondContact O-CB 3.45Å; H433-E452 HydrophobicContact CB-CB 3.97Å; H433-E452 WeakPolarHBondContact CB-OE2 3.35Å; H433-E452 IonicContact CD2-OE2 2.89Å; H433-E452 PolarHBondContact CD2-OE2 3.16Å; H433-E452 IonicContact CG-OE2 3.22Å; H433-E452 PolarHBondContact O-N 2.7Å
434	G	92.9	Very high	76.8	Confident	0 Å²	0	70.7 Å²	70.7	0%	0	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	130.9	-179	0	0	0	0	0	111.9	S390 G450	S390-G434 CarbonylContact C-O 3.59Å; S390-G434 PolarHBondContact O-N 2.9Å; G434-G450 WeakPolarHBondContact CA-O 3.29Å
435	T	94.8	Very high	78.9	Confident	18 Å²	18	68 Å²	68	11%	0.11	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	-28.9	-173	51.5	0	0	0	0	113.4	W371 G450 E452 V478	W371-T435 WeakPolarHBondContact CB-O 3.45Å; T435-G450 PolarHBondContact N-O 3.47Å; T435-G450 VanDerWaalsContact OG1-C 3.29Å; T435-G450 PolarHBondContact OG1-O 3.32Å; T435-E452 HydrophobicContact CG2-CB 4.02Å; T435-V478 WeakPolarHBondContact CB-O 3.43Å; T435-V478 PolarHBondContact OG1-O 2.83Å
436	S	95.3	Very high	81.5	Confident	3 Å²	3	60.8 Å²	60.8	2%	0.021	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	155.5	-178.8	57.8	0	0	0	0	112.1	V449 G450 D479	S436-V449 CarbonylContact O-C 3.56Å; S436-V449 WeakPolarHBondContact O-CA 3.42Å; S436-G450 PolarHBondContact O-N 3.04Å; S436-D479 WeakPolarHBondContact CB-O 3.4Å
437	L	96	Very high	84.1	Confident	1 Å²	1	55.5 Å²	55.5	1%	0.005	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	135.9	-176.8	179.4	140.7	0	0	0	111.5	Q372 R374 V389 V395 F439 F447 L448 V449	Q372-L437 HydrophobicContact CB-CB 4.29Å; Q372-L437 HydrophobicContact CG-CB 4.15Å; Q372-L437 WeakPolarHBondContact CG-O 3.46Å; R374-L437 HydrophobicContact CB-CD2 3.92Å; R374-L437 HydrophobicContact CG-CD2 3.94Å; V389-L437 HydrophobicContact CB-CB 4.26Å; V389-L437 HydrophobicContact CB-CD1 4.27Å; V389-L437 HydrophobicContact CG1-CB 3.74Å; V395-L437 HydrophobicContact CG1-CD1 3.74Å; L437-F439 HydrophobicContact CD2-CD2 4.26Å; L437-F439 HydrophobicContact CD2-CE2 3.71Å; L437-F439 HydrophobicContact CD2-CZ 4.01Å; L437-F447 HydrophobicContact CD1-CD2 4Å; L437-F447 HydrophobicContact CD1-CE2 4.3Å; L437-L448 WeakPolarHBondContact CA-O 3.39Å; L437-V449 HydrophobicContact CD1-CG2 4.27Å
438	D	96.3	Very high	86.5	Confident	6 Å²	6	47.7 Å²	47.7	3%	0.032	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	141.9	170.1	-165.9	27.3	0	0	0	112.3	K441 F447 L448 V481 K482 W483	D438-K441 VanDerWaalsContact CG-NZ 3.28Å; D438-K441 IonicContact OD1-NZ 2.64Å; D438-K441 PolarHBondContact OD1-NZ 3.2Å; D438-K441 IonicContact OD2-NZ 3.53Å; D438-K441 PolarHBondContact OD2-NZ 3.48Å; D438-F447 WeakPolarHBondContact O-CA 3.5Å; D438-L448 PolarHBondContact N-O 3.45Å; D438-L448 PolarHBondContact O-N 3.36Å; D438-V481 WeakPolarHBondContact CB-O 3.46Å; D438-K482 WeakPolarHBondContact OD2-CA 3.24Å; D438-W483 PolarHBondContact O-NE1 3.24Å; D438-W483 PolarHBondContact OD2-N 3.22Å
439	F	95.1	Very high	89.1	Confident	21 Å²	21	39.2 Å²	39.2	9%	0.092	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	144.2	178	-72.3	-70.5	0	0	0	111.3	R374 C387 L437 K441 F447 W483	R374-F439 HydrophobicContact CB-CD2 3.89Å; R374-F439 HydrophobicContact CB-CE2 3.85Å; C387-F439 HydrophobicContact CB-CE2 3.88Å; C387-F439 HydrophobicContact CB-CZ 3.6Å; C387-F439 WeakPolarHBondContact SG-CZ 3.44Å; L437-F439 HydrophobicContact CD2-CD2 4.26Å; L437-F439 HydrophobicContact CD2-CE2 3.71Å; L437-F439 HydrophobicContact CD2-CZ 4.01Å; F439-K441 PolarHBondContact O-NZ 3.08Å; F439-F447 HydrophobicContact CD1-CB 3.53Å; F439-F447 HydrophobicContact CD1-CG 4.32Å; F439-F447 HydrophobicContact CE1-CB 3.53Å; F439-F447 AromaticContact CE1-CD1 3.94Å; F439-F447 HydrophobicContact CE1-CD1 3.94Å; F439-F447 AromaticContact CE1-CG 3.84Å; F439-F447 HydrophobicContact CE1-CG 3.84Å; F439-F447 HydrophobicContact CG-CB 4.39Å; F439-F447 HydrophobicContact CZ-CB 4.47Å; F439-W483 VanDerWaalsContact C-CD1 3.41Å; F439-W483 VanDerWaalsContact O-CD1 3.24Å
440	H	94.7	Very high	91	Very high	8 Å²	8	34.7 Å²	34.7	4%	0.037	18%	0.175	C	C	.	.			trans	-66.2	134.2	172.3	-172.4	-61	0	0	0	110.1	Q442 I443 L446 W483 P488	H440-Q442 PolarHBondContact ND1-N 3.28Å; H440-Q442 VanDerWaalsContact ND1-N 3.15Å; H440-Q442 PolarHBondContact O-N 2.83Å; H440-I443 HydrophobicContact CB-CB 4.4Å; H440-I443 PolarHBondContact ND1-N 3.39Å; H440-L446 HydrophobicContact CB-CB 4.12Å; H440-L446 HydrophobicContact CB-CD2 4.31Å; H440-L446 HydrophobicContact CB-CG 4.33Å; H440-L446 WeakPolarHBondContact CB-O 3.45Å; H440-L446 PolarHBondContact N-O 2.87Å; H440-W483 HydrophobicContact CB-CD2 4.35Å; H440-W483 HydrophobicContact CB-CZ2 4.28Å; H440-W483 AromaticContact CD2-CE3 3.92Å; H440-W483 AromaticContact CD2-CH2 3.66Å; H440-W483 AromaticContact CD2-CZ2 3.91Å; H440-W483 AromaticContact CD2-CZ3 3.67Å; H440-P488 PolarHBondContact CD2-O 3.49Å; H440-P488 VanDerWaalsContact CE1-CB 3.42Å; H440-P488 WeakPolarHBondContact CE1-CB 3.15Å; H440-P488 PolarHBondContact NE2-O 3.45Å
441	K	90.6	Very high	92.4	Very high	94 Å²	94	32.2 Å²	32.2	41%	0.409	15%	0.154	S	C	.	.	S	Bend	trans	-74.3	4.5	-171	-48.6	-53.9	178.8	-151.9	0	115.9	D438 F439 W483	D438-K441 VanDerWaalsContact CG-NZ 3.28Å; D438-K441 IonicContact OD1-NZ 2.64Å; D438-K441 PolarHBondContact OD1-NZ 3.2Å; D438-K441 IonicContact OD2-NZ 3.53Å; D438-K441 PolarHBondContact OD2-NZ 3.48Å; F439-K441 PolarHBondContact O-NZ 3.08Å; K441-W483 HydrophobicContact CG-CB 4.37Å
442	Q	90.1	Very high	93.1	Very high	127 Å²	127	33.8 Å²	33.8	59%	0.593	16%	0.157	S	C	*	.	S	Bend	trans	-143.1	-28.8	-174.1	-62	-177.7	-12.4	0	0	111.8	H440	H440-Q442 PolarHBondContact ND1-N 3.28Å; H440-Q442 VanDerWaalsContact ND1-N 3.15Å; H440-Q442 PolarHBondContact O-N 2.83Å
443	I	91	Very high	93.3	Very high	54 Å²	54	37.2 Å²	37.2	28%	0.277	17%	0.173	S	C	.	.			trans	-113.1	96.8	-178.1	-55.2	174.8	0	0	0	107.9	H440 Y445 L446	H440-I443 HydrophobicContact CB-CB 4.4Å; H440-I443 PolarHBondContact ND1-N 3.39Å; I443-Y445 VanDerWaalsContact C-N 3.28Å; I443-Y445 HydrophobicContact CG2-CD1 3.73Å; I443-Y445 HydrophobicContact CG2-CD2 4.12Å; I443-Y445 HydrophobicContact CG2-CE1 3.3Å; I443-Y445 HydrophobicContact CG2-CE2 3.73Å; I443-Y445 HydrophobicContact CG2-CG 4.12Å; I443-Y445 PolarHBondContact O-N 3.42Å; I443-L446 HydrophobicContact CB-CB 4.13Å; I443-L446 HydrophobicContact CD1-CD2 4.4Å; I443-L446 HydrophobicContact CG2-CB 3.81Å; I443-L446 PolarHBondContact O-N 2.82Å; I443-L446 VanDerWaalsContact O-N 3.08Å
444	D	87.1	Confident	93.3	Very high	77 Å²	77	33.7 Å²	33.7	41%	0.412	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-32.7	-169.4	-69.5	7.6	0	0	0	114.7	N377 L446 K461	N377-D444 VanDerWaalsContact ND2-CG 3.32Å; N377-D444 PolarHBondContact ND2-OD1 3.45Å; N377-D444 PolarHBondContact ND2-OD2 3.28Å; D444-L446 VanDerWaalsContact C-N 3.3Å; D444-L446 PolarHBondContact O-N 3.18Å; D444-K461 WeakPolarHBondContact O-CE 3.29Å
445	Y	89	Confident	93.4	Very high	120 Å²	120	36 Å²	36	47%	0.471	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-13.6	-178.7	63.2	-99.7	0	0	0	113.3	I443 S460 K461	I443-Y445 VanDerWaalsContact C-N 3.28Å; I443-Y445 HydrophobicContact CG2-CD1 3.73Å; I443-Y445 HydrophobicContact CG2-CD2 4.12Å; I443-Y445 HydrophobicContact CG2-CE1 3.3Å; I443-Y445 HydrophobicContact CG2-CE2 3.73Å; I443-Y445 HydrophobicContact CG2-CG 4.12Å; I443-Y445 PolarHBondContact O-N 3.42Å; Y445-S460 WeakPolarHBondContact CD2-OG 3.22Å; Y445-S460 CarbonylContact O-C 3.18Å; Y445-S460 VanDerWaalsContact O-CA 3.24Å; Y445-S460 WeakPolarHBondContact O-CA 3.46Å; Y445-K461 PolarHBondContact O-N 3.11Å
446	L	93.4	Very high	93.4	Very high	6 Å²	6	35.2 Å²	35.2	3%	0.031	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	131	-172.1	-177.1	66.5	0	0	0	111.2	H440 I443 D444 K458 L468 W483	H440-L446 HydrophobicContact CB-CB 4.12Å; H440-L446 HydrophobicContact CB-CD2 4.31Å; H440-L446 HydrophobicContact CB-CG 4.33Å; H440-L446 WeakPolarHBondContact CB-O 3.45Å; H440-L446 PolarHBondContact N-O 2.87Å; I443-L446 HydrophobicContact CB-CB 4.13Å; I443-L446 HydrophobicContact CD1-CD2 4.4Å; I443-L446 HydrophobicContact CG2-CB 3.81Å; I443-L446 PolarHBondContact O-N 2.82Å; I443-L446 VanDerWaalsContact O-N 3.08Å; D444-L446 VanDerWaalsContact C-N 3.3Å; D444-L446 PolarHBondContact O-N 3.18Å; L446-K458 HydrophobicContact CD1-CD 4.28Å; L446-K458 HydrophobicContact CD1-CG 3.71Å; L446-L468 HydrophobicContact CD1-CD1 3.77Å; L446-W483 HydrophobicContact CD2-CH2 4.38Å; L446-W483 HydrophobicContact CD2-CZ2 4.34Å
447	F	94.9	Very high	93.4	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	161.2	177.1	63.1	-82.5	0	0	0	112.3	V395 I410 I411 L437 D438 F439 V449 C459 K461	V395-F447 HydrophobicContact CG1-CE2 4.01Å; V395-F447 HydrophobicContact CG1-CZ 4.33Å; I410-F447 HydrophobicContact CG2-CE1 4.17Å; I410-F447 HydrophobicContact CG2-CZ 4.01Å; I411-F447 HydrophobicContact CG2-CE2 4.47Å; I411-F447 HydrophobicContact CG2-CZ 4.13Å; L437-F447 HydrophobicContact CD1-CD2 4Å; L437-F447 HydrophobicContact CD1-CE2 4.3Å; D438-F447 WeakPolarHBondContact O-CA 3.5Å; F439-F447 HydrophobicContact CD1-CB 3.53Å; F439-F447 HydrophobicContact CD1-CG 4.32Å; F439-F447 HydrophobicContact CE1-CB 3.53Å; F439-F447 AromaticContact CE1-CD1 3.94Å; F439-F447 HydrophobicContact CE1-CD1 3.94Å; F439-F447 AromaticContact CE1-CG 3.84Å; F439-F447 HydrophobicContact CE1-CG 3.84Å; F439-F447 HydrophobicContact CG-CB 4.39Å; F439-F447 HydrophobicContact CZ-CB 4.47Å; F447-V449 HydrophobicContact CD2-CG2 3.63Å; F447-V449 HydrophobicContact CE2-CG2 3.53Å; F447-C459 HydrophobicContact CD1-CB 4.21Å; F447-C459 HydrophobicContact CD2-CB 3.91Å; F447-C459 HydrophobicContact CE1-CB 3.73Å; F447-C459 HydrophobicContact CE2-CB 3.39Å; F447-C459 HydrophobicContact CG-CB 4.3Å; F447-C459 HydrophobicContact CZ-CB 3.29Å; F447-C459 PolarHBondContact N-O 2.88Å; F447-C459 PolarHBondContact O-N 3.17Å; F447-K461 HydrophobicContact CD1-CG 4.19Å; F447-K461 HydrophobicContact CE1-CG 3.98Å
448	L	96.1	Very high	93.3	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	145.2	174.9	-62.2	173.5	0	0	0	109.6	L437 D438 I456 Y457 K458 V481 W483 F491	L437-L448 WeakPolarHBondContact CA-O 3.39Å; D438-L448 PolarHBondContact N-O 3.45Å; D438-L448 PolarHBondContact O-N 3.36Å; L448-I456 HydrophobicContact CB-CG2 4.36Å; L448-I456 HydrophobicContact CD2-CG2 4.35Å; L448-Y457 WeakPolarHBondContact CA-O 3.04Å; L448-K458 HydrophobicContact CD2-CB 4.02Å; L448-K458 HydrophobicContact CD2-CG 4.18Å; L448-V481 HydrophobicContact CB-CG1 3.82Å; L448-V481 HydrophobicContact CD1-CG1 3.68Å; L448-V481 HydrophobicContact CG-CG1 4.41Å; L448-W483 HydrophobicContact CD1-CD2 4.15Å; L448-W483 VanDerWaalsContact CD1-CE2 3.44Å; L448-W483 HydrophobicContact CD1-CH2 4.21Å; L448-W483 HydrophobicContact CD1-CZ2 3.5Å; L448-W483 HydrophobicContact CD2-CZ2 3.93Å; L448-W483 HydrophobicContact CG-CH2 4.48Å; L448-W483 HydrophobicContact CG-CZ2 3.5Å; L448-W483 VanDerWaalsContact CG-CZ2 3.5Å; L448-F491 HydrophobicContact CD1-CB 3.74Å; L448-F491 HydrophobicContact CD1-CD1 3.68Å; L448-F491 HydrophobicContact CD1-CD2 3.63Å; L448-F491 HydrophobicContact CD1-CE1 4.11Å; L448-F491 HydrophobicContact CD1-CE2 4.08Å; L448-F491 HydrophobicContact CD1-CG 3.4Å; L448-F491 VanDerWaalsContact CD1-CG 3.4Å; L448-F491 HydrophobicContact CD1-CZ 4.29Å
449	V	95.8	Very high	93.1	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	121.7	174.7	-173.7	0	0	0	0	108.8	V389 V395 L413 S436 L437 F447 I456 Y457	V389-V449 HydrophobicContact CG2-CG1 4Å; V395-V449 HydrophobicContact CG2-CG2 4.12Å; L413-V449 HydrophobicContact CD1-CG1 3.83Å; L413-V449 HydrophobicContact CD2-CG1 4.29Å; S436-V449 CarbonylContact O-C 3.56Å; S436-V449 WeakPolarHBondContact O-CA 3.42Å; L437-V449 HydrophobicContact CD1-CG2 4.27Å; F447-V449 HydrophobicContact CD2-CG2 3.63Å; F447-V449 HydrophobicContact CE2-CG2 3.53Å; V449-I456 CarbonylContact O-C 3.39Å; V449-I456 WeakPolarHBondContact O-CA 3.45Å; V449-Y457 PolarHBondContact N-O 2.73Å; V449-Y457 PolarHBondContact O-N 2.9Å
450	G	95.7	Very high	92.9	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	147.4	168.6	0	0	0	0	0	110.6	G434 T435 S436	G434-G450 WeakPolarHBondContact CA-O 3.29Å; T435-G450 PolarHBondContact N-O 3.47Å; T435-G450 VanDerWaalsContact OG1-C 3.29Å; T435-G450 PolarHBondContact OG1-O 3.32Å; S436-G450 PolarHBondContact O-N 3.04Å
451	T	95.1	Very high	92.5	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	161.1	177.3	68	0	0	0	0	113.6	L413 H433 E453 G454 K455 Y457 V478	L413-T451 HydrophobicContact CD1-CG2 4.41Å; H433-T451 CarbonylContact O-C 3.59Å; H433-T451 WeakPolarHBondContact O-CA 3.36Å; H433-T451 VanDerWaalsContact O-CB 3.28Å; H433-T451 WeakPolarHBondContact O-CB 3.45Å; T451-E453 PolarHBondContact O-N 3.11Å; T451-G454 PolarHBondContact O-N 2.9Å; T451-K455 PolarHBondContact N-O 3.13Å; T451-K455 PolarHBondContact OG1-N 2.74Å; T451-K455 PolarHBondContact OG1-O 2.78Å; T451-K455 VanDerWaalsContact OG1-O 3.07Å; T451-Y457 HydrophobicContact CG2-CD2 3.62Å; T451-Y457 HydrophobicContact CG2-CE2 3.4Å; T451-Y457 VanDerWaalsContact CG2-CE2 3.4Å; T451-V478 PolarHBondContact O-N 3Å
452	E	93.1	Very high	92.1	Very high	99 Å²	99	37.9 Å²	37.9	46%	0.463	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-27	174.3	-164.7	179.9	173.2	0	0	112.5	H433 T435 G454 P477	H433-E452 HydrophobicContact CB-CB 3.97Å; H433-E452 WeakPolarHBondContact CB-OE2 3.35Å; H433-E452 IonicContact CD2-OE2 2.89Å; H433-E452 PolarHBondContact CD2-OE2 3.16Å; H433-E452 IonicContact CG-OE2 3.22Å; H433-E452 PolarHBondContact O-N 2.7Å; T435-E452 HydrophobicContact CG2-CB 4.02Å; E452-G454 PolarHBondContact O-N 3.13Å; E452-P477 HydrophobicContact CG-CB 4.12Å; E452-P477 HydrophobicContact CG-CG 3.66Å; E452-P477 VanDerWaalsContact O-CA 3.27Å; E452-P477 WeakPolarHBondContact O-CA 3.31Å; E452-P477 WeakPolarHBondContact O-CG 3.33Å
453	E	91.2	Very high	91.5	Very high	73 Å²	73	38.8 Å²	38.8	34%	0.341	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-5.9	176.2	-65.2	174.2	-145.5	0	0	113.8	V415 S432 T451 K455	V415-E453 WeakPolarHBondContact CG2-OE1 3.37Å; S432-E453 WeakPolarHBondContact CA-OE1 3.48Å; S432-E453 WeakPolarHBondContact CB-OE1 3.32Å; S432-E453 PolarHBondContact OG-OE1 2.87Å; T451-E453 PolarHBondContact O-N 3.11Å; E453-K455 IonicContact OE2-NZ 3.32Å; E453-K455 PolarHBondContact OE2-NZ 2.86Å; E453-K455 VanDerWaalsContact OE2-NZ 3.15Å
454	G	92.2	Very high	90.7	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.01	19%	0.192	C	C	.	.	S	Bend	trans	86.1	10.2	-175.8	0	0	0	0	0	114.5	T451 E452 A473 H474 M476	T451-G454 PolarHBondContact O-N 2.9Å; E452-G454 PolarHBondContact O-N 3.13Å; G454-A473 PolarHBondContact O-N 3.46Å; G454-H474 WeakPolarHBondContact CA-O 3.4Å; G454-H474 PolarHBondContact O-N 2.81Å; G454-M476 WeakPolarHBondContact CA-O 3.34Å
455	K	93.9	Very high	90.1	Very high	49 Å²	49	40.5 Å²	40.5	21%	0.213	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	153.6	176.1	-64.9	175.3	-174.6	150.3	0	111	T451 E453 Y457 T470 Y471 D472	T451-K455 PolarHBondContact N-O 3.13Å; T451-K455 PolarHBondContact OG1-N 2.74Å; T451-K455 PolarHBondContact OG1-O 2.78Å; T451-K455 VanDerWaalsContact OG1-O 3.07Å; E453-K455 IonicContact OE2-NZ 3.32Å; E453-K455 PolarHBondContact OE2-NZ 2.86Å; E453-K455 VanDerWaalsContact OE2-NZ 3.15Å; K455-Y457 HydrophobicContact CB-CE1 4.23Å; K455-Y457 HydrophobicContact CD-CE1 4.35Å; K455-T470 HydrophobicContact CD-CG2 4.33Å; K455-Y471 WeakPolarHBondContact CA-O 3.45Å; K455-D472 WeakPolarHBondContact CE-OD1 3.16Å
456	I	95.6	Very high	89.7	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	125.6	169.9	-58.7	172.2	0	0	0	107.9	L448 V449 Y471 A473 V478 V481 F491 S493	L448-I456 HydrophobicContact CB-CG2 4.36Å; L448-I456 HydrophobicContact CD2-CG2 4.35Å; V449-I456 CarbonylContact O-C 3.39Å; V449-I456 WeakPolarHBondContact O-CA 3.45Å; I456-Y471 HydrophobicContact CB-CD2 4.15Å; I456-Y471 HydrophobicContact CG2-CD2 4.15Å; I456-Y471 PolarHBondContact N-O 3.42Å; I456-Y471 WeakPolarHBondContact O-CD2 3.33Å; I456-Y471 PolarHBondContact O-N 3.27Å; I456-A473 HydrophobicContact CB-CB 4.46Å; I456-A473 HydrophobicContact CD1-CB 3.51Å; I456-A473 HydrophobicContact CG1-CB 3.7Å; I456-V478 HydrophobicContact CD1-CG1 4.28Å; I456-V478 HydrophobicContact CG1-CG1 4.21Å; I456-V478 HydrophobicContact CG1-CG2 4.1Å; I456-V481 HydrophobicContact CD1-CG2 4Å; I456-V481 HydrophobicContact CG1-CG2 4.23Å; I456-F491 HydrophobicContact CD1-CE2 3.99Å; I456-F491 HydrophobicContact CG2-CE2 4.39Å; I456-S493 VanDerWaalsContact CD1-CB 3.49Å
457	Y	94.2	Very high	89.3	Confident	7 Å²	7	42.3 Å²	42.3	3%	0.027	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	130.9	176.8	-60.2	-50.7	0	0	0	110.7	L413 S432 L448 V449 T451 K455 F467 T470	L413-Y457 HydrophobicContact CD2-CD2 3.97Å; S432-Y457 PolarHBondContact OG-OH 2.87Å; L448-Y457 WeakPolarHBondContact CA-O 3.04Å; V449-Y457 PolarHBondContact N-O 2.73Å; V449-Y457 PolarHBondContact O-N 2.9Å; T451-Y457 HydrophobicContact CG2-CD2 3.62Å; T451-Y457 HydrophobicContact CG2-CE2 3.4Å; T451-Y457 VanDerWaalsContact CG2-CE2 3.4Å; K455-Y457 HydrophobicContact CB-CE1 4.23Å; K455-Y457 HydrophobicContact CD-CE1 4.35Å; Y457-F467 AromaticContact CD1-CD2 3.92Å; Y457-F467 HydrophobicContact CD1-CD2 3.92Å; Y457-F467 HydrophobicContact CD1-CE2 4.29Å; Y457-F467 HydrophobicContact CD1-CG 4.15Å; Y457-F467 HydrophobicContact CD2-CZ 4.45Å; Y457-F467 HydrophobicContact CE1-CD2 4.1Å; Y457-F467 HydrophobicContact CE1-CE2 4.16Å; Y457-F467 HydrophobicContact CE2-CE2 4.44Å; Y457-F467 HydrophobicContact CE2-CZ 4.42Å; Y457-F467 HydrophobicContact CG-CD1 4.34Å; Y457-F467 HydrophobicContact CG-CD2 4.34Å; Y457-F467 HydrophobicContact CG-CG 4.26Å; Y457-T470 HydrophobicContact CD1-CG2 3.83Å; Y457-T470 WeakPolarHBondContact CD1-OG1 3.25Å; Y457-T470 HydrophobicContact CE1-CG2 3.54Å
458	K	93.9	Very high	89.1	Confident	31 Å²	31	46 Å²	46	14%	0.135	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	117.9	168.2	-174.3	-178.9	179.8	176.9	0	108.4	L446 L448 L468 E469 Y471 H505	L446-K458 HydrophobicContact CD1-CD 4.28Å; L446-K458 HydrophobicContact CD1-CG 3.71Å; L448-K458 HydrophobicContact CD2-CB 4.02Å; L448-K458 HydrophobicContact CD2-CG 4.18Å; K458-L468 HydrophobicContact CB-CB 4.4Å; K458-L468 HydrophobicContact CD-CB 4.31Å; K458-L468 HydrophobicContact CG-CB 4.15Å; K458-L468 HydrophobicContact CG-CD1 4.33Å; K458-L468 WeakPolarHBondContact O-CB 3.39Å; K458-L468 PolarHBondContact O-N 3.03Å; K458-E469 HydrophobicContact CB-CB 3.85Å; K458-E469 HydrophobicContact CD-CB 3.99Å; K458-E469 PolarHBondContact N-O 2.95Å; K458-E469 PolarHBondContact O-N 3.48Å; K458-Y471 HydrophobicContact CB-CE2 4.1Å; K458-H505 PolarHBondContact NZ-CD2 3.44Å; K458-H505 PolarHBondContact NZ-O 3.3Å
459	C	92.4	Very high	88.8	Confident	0 Å²	0	49 Å²	49	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	153.9	-173	-63	0	0	0	0	110.9	F447	F447-C459 HydrophobicContact CD1-CB 4.21Å; F447-C459 HydrophobicContact CD2-CB 3.91Å; F447-C459 HydrophobicContact CE1-CB 3.73Å; F447-C459 HydrophobicContact CE2-CB 3.39Å; F447-C459 HydrophobicContact CG-CB 4.3Å; F447-C459 HydrophobicContact CZ-CB 3.29Å; F447-C459 PolarHBondContact N-O 2.88Å; F447-C459 PolarHBondContact O-N 3.17Å
460	S	91.3	Very high	88.7	Confident	2 Å²	2	51.2 Å²	51.2	1%	0.014	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	142.7	171.7	171.2	0	0	0	0	110	Y445 T462 Y463	Y445-S460 WeakPolarHBondContact CD2-OG 3.22Å; Y445-S460 CarbonylContact O-C 3.18Å; Y445-S460 VanDerWaalsContact O-CA 3.24Å; Y445-S460 WeakPolarHBondContact O-CA 3.46Å; S460-T462 PolarHBondContact O-N 3.39Å; S460-T462 PolarHBondContact OG-N 2.75Å; S460-Y463 PolarHBondContact O-N 3.45Å
461	K	85.4	Confident	88.6	Confident	45 Å²	45	51.3 Å²	51.3	20%	0.196	26%	0.263	C	S	.	.	S	Bend	trans	-63	-31.3	175	-65.4	178.1	-166.3	-89.3	0	112.7	C387 D444 Y445 F447	C387-K461 PolarHBondContact SG-NZ 3.15Å; D444-K461 WeakPolarHBondContact O-CE 3.29Å; Y445-K461 PolarHBondContact O-N 3.11Å; F447-K461 HydrophobicContact CD1-CG 4.19Å; F447-K461 HydrophobicContact CE1-CG 3.98Å
462	T	81.9	Confident	88.5	Confident	104 Å²	104	57.2 Å²	57.2	64%	0.638	30%	0.295	S	S	*	.	S	Bend	trans	-78	-26.7	-176.8	-45.4	0	0	0	0	112.2	S460	S460-T462 PolarHBondContact O-N 3.39Å; S460-T462 PolarHBondContact OG-N 2.75Å
463	Y	78.4	Confident	88.4	Confident	146 Å²	146	52.6 Å²	52.6	57%	0.573	27%	0.274	S	S	*	.			trans	-113.6	90.3	-175.6	-66.1	-78.6	0	0	0	110.2	S460	S460-Y463 PolarHBondContact O-N 3.45Å
464	S	73.9	Confident	88.6	Confident	74 Å²	74	49.9 Å²	49.9	52%	0.517	26%	0.261	S	S	.	.			trans	-79.1	-13.9	-177.1	54.7	0	0	0	0	114.7	I410	I410-S464 WeakPolarHBondContact O-CA 3.46Å; I410-S464 WeakPolarHBondContact O-CB 3.41Å
465	S	73.8	Confident	88.7	Confident	94 Å²	94	60.9 Å²	60.9	66%	0.657	30%	0.302	S	S	*	.	S	Bend	trans	-96	-18.7	-170.5	60.3	0	0	0	0	115
466	Q	81.2	Confident	88.7	Confident	121 Å²	121	63.6 Å²	63.6	57%	0.565	32%	0.317	S	S	*	.	S	Bend	trans	-146.7	146.8	-175.4	-59.8	-173.2	12.2	0	0	111.9
467	F	85.9	Confident	88.6	Confident	42 Å²	42	65.2 Å²	65.2	18%	0.184	33%	0.328	C	S	.	.			trans	-74	138.8	167.8	-43.6	-50.9	0	0	0	109.1	I411 L413 Y457	I411-F467 HydrophobicContact CD1-CD1 3.51Å; I411-F467 HydrophobicContact CD1-CE1 3.56Å; I411-F467 HydrophobicContact CG1-CD1 4.41Å; I411-F467 HydrophobicContact CG1-CE1 3.96Å; L413-F467 HydrophobicContact CD2-CE1 3.99Å; L413-F467 HydrophobicContact CD2-CZ 4.47Å; Y457-F467 AromaticContact CD1-CD2 3.92Å; Y457-F467 HydrophobicContact CD1-CD2 3.92Å; Y457-F467 HydrophobicContact CD1-CE2 4.29Å; Y457-F467 HydrophobicContact CD1-CG 4.15Å; Y457-F467 HydrophobicContact CD2-CZ 4.45Å; Y457-F467 HydrophobicContact CE1-CD2 4.1Å; Y457-F467 HydrophobicContact CE1-CE2 4.16Å; Y457-F467 HydrophobicContact CE2-CE2 4.44Å; Y457-F467 HydrophobicContact CE2-CZ 4.42Å; Y457-F467 HydrophobicContact CG-CD1 4.34Å; Y457-F467 HydrophobicContact CG-CD2 4.34Å; Y457-F467 HydrophobicContact CG-CG 4.26Å
468	L	89.7	Confident	88.7	Confident	79 Å²	79	64.9 Å²	64.9	41%	0.414	33%	0.326	S	S	.	.	S	Bend	trans	-68	-39.9	174.8	-63.7	178.9	0	0	0	111	L446 K458	L446-L468 HydrophobicContact CD1-CD1 3.77Å; K458-L468 HydrophobicContact CB-CB 4.4Å; K458-L468 HydrophobicContact CD-CB 4.31Å; K458-L468 HydrophobicContact CG-CB 4.15Å; K458-L468 HydrophobicContact CG-CD1 4.33Å; K458-L468 WeakPolarHBondContact O-CB 3.39Å; K458-L468 PolarHBondContact O-N 3.03Å
469	E	90.8	Very high	88.8	Confident	61 Å²	61	65.9 Å²	65.9	29%	0.285	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	153.9	179.9	-158.6	65.2	-107.4	0	0	110.1	K458 Y471 K508	K458-E469 HydrophobicContact CB-CB 3.85Å; K458-E469 HydrophobicContact CD-CB 3.99Å; K458-E469 PolarHBondContact N-O 2.95Å; K458-E469 PolarHBondContact O-N 3.48Å; E469-Y471 HydrophobicContact CB-CE2 4.32Å; E469-Y471 HydrophobicContact CG-CE1 4.11Å; E469-Y471 HydrophobicContact CG-CE2 4.36Å; E469-K508 WeakPolarHBondContact OE1-CE 3.37Å; E469-K508 IonicContact OE1-NZ 3.82Å; E469-K508 PolarHBondContact OE1-NZ 3.29Å
470	T	92.7	Very high	89	Confident	48 Å²	48	66.4 Å²	66.4	29%	0.294	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	127.7	173	-60.7	0	0	0	0	109.3	K455 Y457	K455-T470 HydrophobicContact CD-CG2 4.33Å; Y457-T470 HydrophobicContact CD1-CG2 3.83Å; Y457-T470 WeakPolarHBondContact CD1-OG1 3.25Å; Y457-T470 HydrophobicContact CE1-CG2 3.54Å
471	Y	93.8	Very high	89.2	Confident	1 Å²	1	66.4 Å²	66.4	0%	0.004	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	120.9	174	-48.9	-86.8	0	0	0	109.2	K455 I456 K458 E469 A473 F491 W503 H505 I507	K455-Y471 WeakPolarHBondContact CA-O 3.45Å; I456-Y471 HydrophobicContact CB-CD2 4.15Å; I456-Y471 HydrophobicContact CG2-CD2 4.15Å; I456-Y471 PolarHBondContact N-O 3.42Å; I456-Y471 WeakPolarHBondContact O-CD2 3.33Å; I456-Y471 PolarHBondContact O-N 3.27Å; K458-Y471 HydrophobicContact CB-CE2 4.1Å; E469-Y471 HydrophobicContact CB-CE2 4.32Å; E469-Y471 HydrophobicContact CG-CE1 4.11Å; E469-Y471 HydrophobicContact CG-CE2 4.36Å; Y471-A473 PolarHBondContact O-N 2.86Å; Y471-F491 HydrophobicContact CD2-CZ 4.22Å; Y471-F491 HydrophobicContact CE2-CE1 4.42Å; Y471-F491 HydrophobicContact CE2-CZ 4.15Å; Y471-W503 HydrophobicContact CD1-CE3 4.39Å; Y471-H505 VanDerWaalsContact OH-C 3.31Å; Y471-H505 WeakPolarHBondContact OH-CA 3.3Å; Y471-H505 PolarHBondContact OH-O 2.84Å; Y471-I507 WeakPolarHBondContact CE1-O 3.46Å
472	D	92.9	Very high	89.8	Confident	125 Å²	125	65.5 Å²	65.5	67%	0.668	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.6	80.6	169	-69.9	-43.9	0	0	0	108.5	K455	K455-D472 WeakPolarHBondContact CE-OD1 3.16Å
473	A	91.8	Very high	90.5	Very high	1 Å²	1	60.7 Å²	60.7	1%	0.008	30%	0.302	C	S	.	.			trans	-84	-47.1	-163.2	0	0	0	0	0	113.3	G454 I456 Y471 K501 W503	G454-A473 PolarHBondContact O-N 3.46Å; I456-A473 HydrophobicContact CB-CB 4.46Å; I456-A473 HydrophobicContact CD1-CB 3.51Å; I456-A473 HydrophobicContact CG1-CB 3.7Å; Y471-A473 PolarHBondContact O-N 2.86Å; A473-K501 VanDerWaalsContact O-CD 3.32Å; A473-K501 WeakPolarHBondContact O-CD 3.41Å; A473-K501 WeakPolarHBondContact O-CE 3.44Å; A473-K501 PolarHBondContact O-NZ 2.89Å; A473-W503 HydrophobicContact CB-CH2 4Å; A473-W503 HydrophobicContact CB-CZ2 3.51Å
474	H	95.2	Very high	91.3	Very high	16 Å²	16	53.9 Å²	53.9	7%	0.074	28%	0.276	C	S	.	.			trans	-139	164.6	-168.7	-70.3	-81.7	0	0	0	111.5	G454 V478 S493 S495 D497 N499	G454-H474 WeakPolarHBondContact CA-O 3.4Å; G454-H474 PolarHBondContact O-N 2.81Å; H474-V478 HydrophobicContact CB-CG2 4.35Å; H474-S493 PolarHBondContact NE2-OG 2.87Å; H474-S495 VanDerWaalsContact ND1-CB 3.28Å; H474-S495 WeakPolarHBondContact ND1-CB 3.33Å; H474-D497 VanDerWaalsContact CA-OD2 3.29Å; H474-D497 WeakPolarHBondContact CA-OD2 3.26Å; H474-D497 VanDerWaalsContact CB-OD2 3.23Å; H474-D497 WeakPolarHBondContact CB-OD2 3.36Å; H474-D497 IonicContact CE1-OD1 3.98Å; H474-D497 IonicContact CG-OD2 3.86Å; H474-D497 IonicContact ND1-OD1 3.51Å; H474-D497 PolarHBondContact ND1-OD1 2.86Å; H474-D497 IonicContact ND1-OD2 2.87Å; H474-D497 PolarHBondContact ND1-OD2 2.91Å; H474-D497 VanDerWaalsContact ND1-OD2 3.08Å; H474-N499 PolarHBondContact CE1-O 3.25Å
475	R	93.4	Very high	92.2	Very high	232 Å²	232	54.5 Å²	54.5	88%	0.875	27%	0.27	S	S	*	.	S	Bend	trans	-94.4	-10.7	178.1	-65.1	-179.9	-179.4	166.7	1.2	113.7	D497	R475-D497 HydrophobicContact CB-CB 4.43Å; R475-D497 PolarHBondContact N-OD2 3.38Å
476	M	94.3	Very high	93	Very high	106 Å²	106	52.1 Å²	52.1	52%	0.522	25%	0.248	S	C	.	.	S	Bend	trans	-132.8	174.5	-177.4	-72	-69.4	-175.6	0	0	108.2	G454 V478 S495 D497	G454-M476 WeakPolarHBondContact CA-O 3.34Å; M476-V478 PolarHBondContact O-N 2.76Å; M476-S495 PolarHBondContact O-OG 2.79Å; M476-D497 HydrophobicContact CB-CB 3.9Å; M476-D497 HydrophobicContact CG-CB 3.99Å
477	P	94.6	Very high	93.5	Very high	35 Å²	35	46.4 Å²	46.4	23%	0.227	22%	0.222	C	C	.	.			trans	-50.4	137.1	-179.7	-30.1	37.3	0	0	0	113.2	E452 D479 S495	E452-P477 HydrophobicContact CG-CB 4.12Å; E452-P477 HydrophobicContact CG-CG 3.66Å; E452-P477 VanDerWaalsContact O-CA 3.27Å; E452-P477 WeakPolarHBondContact O-CA 3.31Å; E452-P477 WeakPolarHBondContact O-CG 3.33Å; P477-D479 PolarHBondContact O-N 3.49Å; P477-S495 WeakPolarHBondContact O-CA 3.31Å; P477-S495 VanDerWaalsContact O-CB 3.28Å; P477-S495 WeakPolarHBondContact O-CB 3.34Å; P477-S495 PolarHBondContact O-OG 3.45Å
478	V	96.4	Very high	93.8	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	101.2	173.2	-173.8	0	0	0	0	108.1	T435 T451 I456 H474 M476 V481	T435-V478 WeakPolarHBondContact CB-O 3.43Å; T435-V478 PolarHBondContact OG1-O 2.83Å; T451-V478 PolarHBondContact O-N 3Å; I456-V478 HydrophobicContact CD1-CG1 4.28Å; I456-V478 HydrophobicContact CG1-CG1 4.21Å; I456-V478 HydrophobicContact CG1-CG2 4.1Å; H474-V478 HydrophobicContact CB-CG2 4.35Å; M476-V478 PolarHBondContact O-N 2.76Å; V478-V481 HydrophobicContact CG1-CG2 3.58Å
479	D	94.7	Very high	94	Very high	51 Å²	51	45.9 Å²	45.9	27%	0.273	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	-44.6	-175.1	-67.9	-59.6	0	0	0	111	S436 P477 C494 S495 S496	S436-D479 WeakPolarHBondContact CB-O 3.4Å; P477-D479 PolarHBondContact O-N 3.49Å; D479-C494 PolarHBondContact N-O 3.01Å; D479-S495 VanDerWaalsContact OD2-C 3.3Å; D479-S495 WeakPolarHBondContact OD2-CA 3.35Å; D479-S496 PolarHBondContact OD2-N 3.22Å; D479-S496 PolarHBondContact OD2-OG 3.45Å
480	T	96.2	Very high	94.2	Very high	12 Å²	12	43 Å²	43	7%	0.074	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	150.3	177.9	72.5	0	0	0	0	113.5	S493 C494 D522 V523	T480-S493 VanDerWaalsContact O-CA 3.3Å; T480-S493 WeakPolarHBondContact O-CA 3.05Å; T480-C494 PolarHBondContact O-N 3.37Å; T480-C494 PolarHBondContact OG1-SG 3.39Å; T480-D522 HydrophobicContact CG2-CB 4.35Å; T480-D522 WeakPolarHBondContact CG2-OD1 2.95Å; T480-V523 WeakPolarHBondContact OG1-CG1 3.42Å
481	V	97	Very high	94.4	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.006	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	131.4	171.7	-180	0	0	0	0	108.2	D438 L448 I456 V478 F491 I492	D438-V481 WeakPolarHBondContact CB-O 3.46Å; L448-V481 HydrophobicContact CB-CG1 3.82Å; L448-V481 HydrophobicContact CD1-CG1 3.68Å; L448-V481 HydrophobicContact CG-CG1 4.41Å; I456-V481 HydrophobicContact CD1-CG2 4Å; I456-V481 HydrophobicContact CG1-CG2 4.23Å; V478-V481 HydrophobicContact CG1-CG2 3.58Å; V481-F491 HydrophobicContact CG1-CD2 4.02Å; V481-I492 WeakPolarHBondContact CA-O 3.04Å
482	K	96.9	Very high	94.6	Very high	26 Å²	26	40.6 Å²	40.6	11%	0.113	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	131.3	178.3	-62.4	-66.6	179.9	-156.1	0	112.1	D438 F491 I492 W525	D438-K482 WeakPolarHBondContact OD2-CA 3.24Å; K482-F491 CarbonylContact O-C 3.57Å; K482-F491 VanDerWaalsContact O-CA 3.27Å; K482-F491 WeakPolarHBondContact O-CA 2.81Å; K482-F491 WeakPolarHBondContact O-CB 3.48Å; K482-I492 HydrophobicContact CB-CG2 3.89Å; K482-I492 PolarHBondContact N-O 3.09Å; K482-I492 PolarHBondContact O-N 2.94Å; K482-W525 PolarHBondContact O-NE1 3.22Å
483	W	96.8	Very high	94.8	Very high	3 Å²	3	34.7 Å²	34.7	1%	0.011	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	145.7	166.2	-73.1	96.1	0	0	0	110.7	D438 F439 H440 K441 L446 L448 P488 F491 H505	D438-W483 PolarHBondContact O-NE1 3.24Å; D438-W483 PolarHBondContact OD2-N 3.22Å; F439-W483 VanDerWaalsContact C-CD1 3.41Å; F439-W483 VanDerWaalsContact O-CD1 3.24Å; H440-W483 HydrophobicContact CB-CD2 4.35Å; H440-W483 HydrophobicContact CB-CZ2 4.28Å; H440-W483 AromaticContact CD2-CE3 3.92Å; H440-W483 AromaticContact CD2-CH2 3.66Å; H440-W483 AromaticContact CD2-CZ2 3.91Å; H440-W483 AromaticContact CD2-CZ3 3.67Å; K441-W483 HydrophobicContact CG-CB 4.37Å; L446-W483 HydrophobicContact CD2-CH2 4.38Å; L446-W483 HydrophobicContact CD2-CZ2 4.34Å; L448-W483 HydrophobicContact CD1-CD2 4.15Å; L448-W483 VanDerWaalsContact CD1-CE2 3.44Å; L448-W483 HydrophobicContact CD1-CH2 4.21Å; L448-W483 HydrophobicContact CD1-CZ2 3.5Å; L448-W483 HydrophobicContact CD2-CZ2 3.93Å; L448-W483 HydrophobicContact CG-CH2 4.48Å; L448-W483 HydrophobicContact CG-CZ2 3.5Å; L448-W483 VanDerWaalsContact CG-CZ2 3.5Å; W483-P488 WeakPolarHBondContact CZ3-O 3.25Å; W483-F491 HydrophobicContact CD2-CB 4.2Å; W483-F491 HydrophobicContact CE3-CB 4.05Å; W483-F491 HydrophobicContact CH2-CD1 4.42Å; W483-F491 HydrophobicContact CZ3-CB 4.45Å; W483-F491 HydrophobicContact CZ3-CD1 4.32Å; W483-H505 HydrophobicContact CH2-CB 3.69Å; W483-H505 AromaticContact CH2-CD2 3.71Å; W483-H505 AromaticContact CH2-CG 3.77Å; W483-H505 HydrophobicContact CZ3-CB 4.11Å
484	N	95.6	Very high	95.1	Very high	4 Å²	4	34.6 Å²	34.6	2%	0.021	16%	0.157	C	C	.	.			trans	-65.2	140.7	170.8	-169	-86.9	0	0	0	110.2	F486 H487 I490 S530	N484-F486 VanDerWaalsContact C-N 3.26Å; N484-F486 PolarHBondContact O-N 3.02Å; N484-F486 PolarHBondContact OD1-N 3.03Å; N484-H487 PolarHBondContact OD1-N 2.84Å; N484-I490 HydrophobicContact CB-CB 4.31Å; N484-I490 HydrophobicContact CB-CG2 4.4Å; N484-I490 WeakPolarHBondContact CB-O 3.26Å; N484-I490 PolarHBondContact N-O 2.76Å; N484-S530 PolarHBondContact ND2-O 2.9Å
485	H	91.7	Very high	95.1	Very high	86 Å²	86	33.9 Å²	33.9	40%	0.398	15%	0.154	S	C	.	.	S	Bend	trans	-67	-26.9	-179.1	-64.6	104.9	0	0	0	113.5	W525 A526	H485-W525 PolarHBondContact CE1-O 3.38Å; H485-A526 PolarHBondContact ND1-O 3.23Å
486	F	92	Very high	95.1	Very high	44 Å²	44	24.7 Å²	24.7	19%	0.193	13%	0.125	C	C	.	.	S	Bend	trans	-109.7	-50.1	-173.8	-61.6	-82.8	0	0	0	112.2	N484 P488 P527 E616 V617	N484-F486 VanDerWaalsContact C-N 3.26Å; N484-F486 PolarHBondContact O-N 3.02Å; N484-F486 PolarHBondContact OD1-N 3.03Å; F486-P488 WeakPolarHBondContact O-CD 3.1Å; F486-P527 WeakPolarHBondContact CE2-O 3.32Å; F486-P527 WeakPolarHBondContact CZ-O 3.23Å; F486-E616 HydrophobicContact CB-CB 4.18Å; F486-E616 HydrophobicContact CD1-CB 4.12Å; F486-E616 HydrophobicContact CD1-CG 4.45Å; F486-E616 HydrophobicContact CD2-CB 4.43Å; F486-E616 HydrophobicContact CG-CB 3.98Å; F486-V617 HydrophobicContact CB-CG2 4.48Å; F486-V617 WeakPolarHBondContact O-CG2 3.35Å
487	H	92.4	Very high	95.2	Very high	2 Å²	2	20.7 Å²	20.7	1%	0.009	11%	0.106	C	C	.	.			trans	-93.8	114.3	-171.2	-172.3	-75.4	0	0	0	111.7	N484 R489 I490 M620 D621	N484-H487 PolarHBondContact OD1-N 2.84Å; H487-R489 VanDerWaalsContact C-N 3.32Å; H487-R489 PolarHBondContact CE1-NE 2.77Å; H487-R489 VanDerWaalsContact CE1-NE 3.27Å; H487-R489 PolarHBondContact ND1-N 3Å; H487-R489 PolarHBondContact O-N 2.91Å; H487-I490 VanDerWaalsContact ND1-CG1 3.31Å; H487-I490 WeakPolarHBondContact ND1-CG1 3.31Å; H487-I490 PolarHBondContact O-N 3.01Å; H487-M620 HydrophobicContact CB-CB 4.44Å; H487-M620 HydrophobicContact CB-CG 4.38Å; H487-D621 IonicContact CD2-OD1 3.43Å; H487-D621 IonicContact NE2-OD1 2.8Å; H487-D621 PolarHBondContact NE2-OD1 3.19Å
488	P	92.3	Very high	95.2	Very high	33 Å²	33	24.8 Å²	24.8	21%	0.214	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-27.4	-168.2	24.9	-34.1	0	0	0	114.2	H440 W483 F486	H440-P488 PolarHBondContact CD2-O 3.49Å; H440-P488 VanDerWaalsContact CE1-CB 3.42Å; H440-P488 WeakPolarHBondContact CE1-CB 3.15Å; H440-P488 PolarHBondContact NE2-O 3.45Å; W483-P488 WeakPolarHBondContact CZ3-O 3.25Å; F486-P488 WeakPolarHBondContact O-CD 3.1Å
489	R	92.9	Very high	95.2	Very high	76 Å²	76	26.3 Å²	26.3	29%	0.287	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-12.6	-175.7	-45.6	179.1	-77.5	172.9	0.2	114.5	H487 D504 H505 D621	H487-R489 VanDerWaalsContact C-N 3.32Å; H487-R489 PolarHBondContact CE1-NE 2.77Å; H487-R489 VanDerWaalsContact CE1-NE 3.27Å; H487-R489 PolarHBondContact ND1-N 3Å; H487-R489 PolarHBondContact O-N 2.91Å; R489-D504 WeakPolarHBondContact CB-OD1 3.47Å; R489-D504 WeakPolarHBondContact O-CA 3.45Å; R489-H505 WeakPolarHBondContact CA-ND1 3.28Å; R489-H505 PolarHBondContact O-N 2.9Å; R489-H505 PolarHBondContact O-ND1 2.85Å; R489-D621 IonicContact CZ-OD1 3.17Å; R489-D621 IonicContact NH2-OD1 3.69Å; R489-D621 PolarHBondContact NH2-OD1 3.22Å
490	I	95.6	Very high	95.3	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	134.9	-167.4	-64.8	-66.5	0	0	0	110.7	N484 H487 I502 W503 D504 M511 W525 M620 L624	N484-I490 HydrophobicContact CB-CB 4.31Å; N484-I490 HydrophobicContact CB-CG2 4.4Å; N484-I490 WeakPolarHBondContact CB-O 3.26Å; N484-I490 PolarHBondContact N-O 2.76Å; H487-I490 VanDerWaalsContact ND1-CG1 3.31Å; H487-I490 WeakPolarHBondContact ND1-CG1 3.31Å; H487-I490 PolarHBondContact O-N 3.01Å; I490-I502 HydrophobicContact CG2-CG2 3.77Å; I490-W503 WeakPolarHBondContact CA-O 3.21Å; I490-W503 WeakPolarHBondContact CD1-O 3.49Å; I490-D504 HydrophobicContact CD1-CB 4Å; I490-M511 HydrophobicContact CD1-SD 4Å; I490-W525 HydrophobicContact CG2-CZ2 4.09Å; I490-M620 HydrophobicContact CG1-CG 4.32Å; I490-M620 HydrophobicContact CG2-CE 4.47Å; I490-L624 HydrophobicContact CD1-CD1 3.75Å; I490-L624 HydrophobicContact CD1-CD2 3.91Å; I490-L624 HydrophobicContact CG1-CD1 3.98Å
491	F	96.9	Very high	95.3	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	161.9	170	70.2	-89.8	0	0	0	110.6	L448 I456 Y471 V481 K482 W483 W503 H505	L448-F491 HydrophobicContact CD1-CB 3.74Å; L448-F491 HydrophobicContact CD1-CD1 3.68Å; L448-F491 HydrophobicContact CD1-CD2 3.63Å; L448-F491 HydrophobicContact CD1-CE1 4.11Å; L448-F491 HydrophobicContact CD1-CE2 4.08Å; L448-F491 HydrophobicContact CD1-CG 3.4Å; L448-F491 VanDerWaalsContact CD1-CG 3.4Å; L448-F491 HydrophobicContact CD1-CZ 4.29Å; I456-F491 HydrophobicContact CD1-CE2 3.99Å; I456-F491 HydrophobicContact CG2-CE2 4.39Å; Y471-F491 HydrophobicContact CD2-CZ 4.22Å; Y471-F491 HydrophobicContact CE2-CE1 4.42Å; Y471-F491 HydrophobicContact CE2-CZ 4.15Å; V481-F491 HydrophobicContact CG1-CD2 4.02Å; K482-F491 CarbonylContact O-C 3.57Å; K482-F491 VanDerWaalsContact O-CA 3.27Å; K482-F491 WeakPolarHBondContact O-CA 2.81Å; K482-F491 WeakPolarHBondContact O-CB 3.48Å; W483-F491 HydrophobicContact CD2-CB 4.2Å; W483-F491 HydrophobicContact CE3-CB 4.05Å; W483-F491 HydrophobicContact CH2-CD1 4.42Å; W483-F491 HydrophobicContact CZ3-CB 4.45Å; W483-F491 HydrophobicContact CZ3-CD1 4.32Å; F491-W503 HydrophobicContact CD1-CB 3.83Å; F491-W503 HydrophobicContact CD2-CB 3.99Å; F491-W503 AromaticContact CD2-CD1 3.8Å; F491-W503 HydrophobicContact CD2-CG 4.14Å; F491-W503 HydrophobicContact CE1-CB 3.36Å; F491-W503 HydrophobicContact CE1-CG 4.15Å; F491-W503 HydrophobicContact CE2-CB 3.55Å; F491-W503 AromaticContact CE2-CD1 3.32Å; F491-W503 HydrophobicContact CE2-CD2 4.3Å; F491-W503 AromaticContact CE2-CG 3.46Å; F491-W503 HydrophobicContact CE2-CG 3.46Å; F491-W503 VanDerWaalsContact CE2-CG 3.46Å; F491-W503 HydrophobicContact CG-CB 4.13Å; F491-W503 HydrophobicContact CZ-CB 3.22Å; F491-W503 AromaticContact CZ-CD1 3.87Å; F491-W503 HydrophobicContact CZ-CD2 4.18Å; F491-W503 AromaticContact CZ-CG 3.47Å; F491-W503 HydrophobicContact CZ-CG 3.47Å; F491-W503 VanDerWaalsContact CZ-CG 3.47Å; F491-W503 PolarHBondContact N-O 3.2Å; F491-W503 VanDerWaalsContact N-O 3.07Å; F491-W503 PolarHBondContact O-N 3.13Å; F491-H505 HydrophobicContact CD1-CB 4.04Å; F491-H505 HydrophobicContact CE1-CB 3.86Å
492	I	97.1	Very high	95.2	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	148.6	177.3	-163.8	162.7	0	0	0	109.2	V481 K482 V500 K501 I502 V523 W525 F533	V481-I492 WeakPolarHBondContact CA-O 3.04Å; K482-I492 HydrophobicContact CB-CG2 3.89Å; K482-I492 PolarHBondContact N-O 3.09Å; K482-I492 PolarHBondContact O-N 2.94Å; I492-V500 HydrophobicContact CD1-CG1 3.62Å; I492-V500 HydrophobicContact CG1-CG1 3.69Å; I492-K501 CarbonylContact C-O 3.52Å; I492-K501 WeakPolarHBondContact CA-O 3.25Å; I492-K501 WeakPolarHBondContact CG1-O 3.38Å; I492-I502 HydrophobicContact CD1-CG1 4.07Å; I492-I502 HydrophobicContact CG1-CG1 4.06Å; I492-V523 HydrophobicContact CD1-CG1 4.39Å; I492-V523 HydrophobicContact CD1-CG2 3.65Å; I492-V523 HydrophobicContact CG1-CG1 4.14Å; I492-V523 HydrophobicContact CG1-CG2 4.26Å; I492-V523 HydrophobicContact CG2-CG1 3.73Å; I492-W525 HydrophobicContact CB-CZ2 3.8Å; I492-W525 HydrophobicContact CD1-CZ2 4.09Å; I492-W525 HydrophobicContact CG1-CZ2 4.46Å; I492-W525 HydrophobicContact CG2-CZ2 4.36Å; I492-F533 HydrophobicContact CD1-CB 4.2Å; I492-F533 HydrophobicContact CD1-CD1 4.15Å; I492-F533 HydrophobicContact CD1-CD2 3.64Å; I492-F533 HydrophobicContact CD1-CE1 4.45Å; I492-F533 HydrophobicContact CD1-CE2 3.97Å; I492-F533 HydrophobicContact CD1-CG 3.73Å; I492-F533 HydrophobicContact CD1-CZ 4.36Å
493	S	97.4	Very high	95.1	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	147.5	171.3	64.5	0	0	0	0	110.8	I456 H474 T480 V500 K501 W503	I456-S493 VanDerWaalsContact CD1-CB 3.49Å; H474-S493 PolarHBondContact NE2-OG 2.87Å; T480-S493 VanDerWaalsContact O-CA 3.3Å; T480-S493 WeakPolarHBondContact O-CA 3.05Å; S493-V500 WeakPolarHBondContact O-CA 3.31Å; S493-K501 PolarHBondContact N-O 3.17Å; S493-K501 PolarHBondContact O-N 3.26Å; S493-W503 PolarHBondContact OG-NE1 3.42Å
494	C	96.9	Very high	95	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	157	169	79.6	0	0	0	0	111	D479 T480 V500 V520 V523	D479-C494 PolarHBondContact N-O 3.01Å; T480-C494 PolarHBondContact O-N 3.37Å; T480-C494 PolarHBondContact OG1-SG 3.39Å; C494-V500 HydrophobicContact CB-CG2 4.17Å; C494-V520 HydrophobicContact CB-CB 4.07Å; C494-V520 HydrophobicContact CB-CG1 3.76Å; C494-V523 HydrophobicContact CB-CB 4.08Å; C494-V523 HydrophobicContact CB-CG1 3.94Å
495	S	96.5	Very high	94.9	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	158.7	179.9	177.5	0	0	0	0	111.6	H474 M476 P477 D479 D497 W498 N499 V520	H474-S495 VanDerWaalsContact ND1-CB 3.28Å; H474-S495 WeakPolarHBondContact ND1-CB 3.33Å; M476-S495 PolarHBondContact O-OG 2.79Å; P477-S495 WeakPolarHBondContact O-CA 3.31Å; P477-S495 VanDerWaalsContact O-CB 3.28Å; P477-S495 WeakPolarHBondContact O-CB 3.34Å; P477-S495 PolarHBondContact O-OG 3.45Å; D479-S495 VanDerWaalsContact OD2-C 3.3Å; D479-S495 WeakPolarHBondContact OD2-CA 3.35Å; S495-D497 WeakPolarHBondContact CB-OD1 3.38Å; S495-D497 PolarHBondContact O-N 3.22Å; S495-D497 VanDerWaalsContact O-N 3.1Å; S495-D497 PolarHBondContact OG-N 2.95Å; S495-D497 VanDerWaalsContact OG-N 3.16Å; S495-W498 PolarHBondContact O-N 2.8Å; S495-N499 PolarHBondContact N-O 2.77Å; S495-V520 PolarHBondContact O-N 3.27Å
496	S	94	Very high	94.8	Very high	40 Å²	40	24.8 Å²	24.8	28%	0.28	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-6.1	166.4	-69.1	0	0	0	0	113.9	D479 W498	D479-S496 PolarHBondContact OD2-N 3.22Å; D479-S496 PolarHBondContact OD2-OG 3.45Å; S496-W498 VanDerWaalsContact O-CD1 3.28Å; S496-W498 PolarHBondContact O-N 3.07Å
497	D	94.6	Very high	94.8	Very high	22 Å²	22	25.1 Å²	25.1	12%	0.118	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	9.8	168.3	76.9	7.4	0	0	0	115.1	H474 R475 M476 S495 N499	H474-D497 VanDerWaalsContact CA-OD2 3.29Å; H474-D497 WeakPolarHBondContact CA-OD2 3.26Å; H474-D497 VanDerWaalsContact CB-OD2 3.23Å; H474-D497 WeakPolarHBondContact CB-OD2 3.36Å; H474-D497 IonicContact CE1-OD1 3.98Å; H474-D497 IonicContact CG-OD2 3.86Å; H474-D497 IonicContact ND1-OD1 3.51Å; H474-D497 PolarHBondContact ND1-OD1 2.86Å; H474-D497 IonicContact ND1-OD2 2.87Å; H474-D497 PolarHBondContact ND1-OD2 2.91Å; H474-D497 VanDerWaalsContact ND1-OD2 3.08Å; R475-D497 HydrophobicContact CB-CB 4.43Å; R475-D497 PolarHBondContact N-OD2 3.38Å; M476-D497 HydrophobicContact CB-CB 3.9Å; M476-D497 HydrophobicContact CG-CB 3.99Å; S495-D497 WeakPolarHBondContact CB-OD1 3.38Å; S495-D497 PolarHBondContact O-N 3.22Å; S495-D497 VanDerWaalsContact O-N 3.1Å; S495-D497 PolarHBondContact OG-N 2.95Å; S495-D497 VanDerWaalsContact OG-N 3.16Å; D497-N499 PolarHBondContact O-N 3.07Å; D497-N499 PolarHBondContact O-ND2 2.85Å; D497-N499 VanDerWaalsContact O-ND2 3.16Å; D497-N499 WeakPolarHBondContact OD1-CB 3.39Å; D497-N499 PolarHBondContact OD1-N 3.13Å; D497-N499 VanDerWaalsContact OD1-N 3.08Å; D497-N499 PolarHBondContact OD1-ND2 3.13Å
498	W	94.9	Very high	94.6	Very high	121 Å²	121	31.3 Å²	31.3	46%	0.458	15%	0.152	S	C	.	.	S	Bend	trans	77.6	-4.2	176.6	-46.5	-10.6	0	0	0	114.8	S495 S496 L516 S518 P519	S495-W498 PolarHBondContact O-N 2.8Å; S496-W498 VanDerWaalsContact O-CD1 3.28Å; S496-W498 PolarHBondContact O-N 3.07Å; W498-L516 PolarHBondContact O-N 3.1Å; W498-S518 WeakPolarHBondContact CA-O 3.5Å; W498-P519 VanDerWaalsContact CD1-CD 3.47Å; W498-P519 VanDerWaalsContact NE1-CD 3.32Å
499	N	95.9	Very high	94.5	Very high	32 Å²	32	34.2 Å²	34.2	17%	0.171	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	141.4	-176.5	-56.9	-65	0	0	0	112.5	H474 S495 D497 K501 T513 F514	H474-N499 PolarHBondContact CE1-O 3.25Å; S495-N499 PolarHBondContact N-O 2.77Å; D497-N499 PolarHBondContact O-N 3.07Å; D497-N499 PolarHBondContact O-ND2 2.85Å; D497-N499 VanDerWaalsContact O-ND2 3.16Å; D497-N499 WeakPolarHBondContact OD1-CB 3.39Å; D497-N499 PolarHBondContact OD1-N 3.13Å; D497-N499 VanDerWaalsContact OD1-N 3.08Å; D497-N499 PolarHBondContact OD1-ND2 3.13Å; N499-K501 HydrophobicContact CB-CG 4.43Å; N499-T513 HydrophobicContact CB-CG2 4.28Å; N499-F514 CarbonylContact C-O 3.56Å; N499-F514 VanDerWaalsContact CA-O 3.26Å; N499-F514 WeakPolarHBondContact CA-O 3.49Å
500	V	96.8	Very high	94.5	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	127.3	160.1	-179	0	0	0	0	107.9	I492 S493 C494 F514 L516 V520 V523 F533 A535	I492-V500 HydrophobicContact CD1-CG1 3.62Å; I492-V500 HydrophobicContact CG1-CG1 3.69Å; S493-V500 WeakPolarHBondContact O-CA 3.31Å; C494-V500 HydrophobicContact CB-CG2 4.17Å; V500-F514 HydrophobicContact CB-CB 4.4Å; V500-F514 PolarHBondContact N-O 3.48Å; V500-F514 PolarHBondContact O-N 2.93Å; V500-L516 HydrophobicContact CG2-CD1 3.9Å; V500-L516 HydrophobicContact CG2-CG 4.39Å; V500-V520 HydrophobicContact CG2-CG1 4Å; V500-V520 HydrophobicContact CG2-CG2 4.12Å; V500-V523 HydrophobicContact CG1-CG2 4.1Å; V500-F533 HydrophobicContact CG1-CE2 3.97Å; V500-F533 HydrophobicContact CG1-CZ 4.5Å; V500-A535 HydrophobicContact CG2-CB 4.13Å
501	K	96.1	Very high	94.3	Very high	33 Å²	33	34.4 Å²	34.4	14%	0.143	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	137.7	-177.8	-67.1	-177.6	178.8	-173.4	0	110.9	A473 I492 S493 N499 W503 P510 F512 T513	A473-K501 VanDerWaalsContact O-CD 3.32Å; A473-K501 WeakPolarHBondContact O-CD 3.41Å; A473-K501 WeakPolarHBondContact O-CE 3.44Å; A473-K501 PolarHBondContact O-NZ 2.89Å; I492-K501 CarbonylContact C-O 3.52Å; I492-K501 WeakPolarHBondContact CA-O 3.25Å; I492-K501 WeakPolarHBondContact CG1-O 3.38Å; S493-K501 PolarHBondContact N-O 3.17Å; S493-K501 PolarHBondContact O-N 3.26Å; N499-K501 HydrophobicContact CB-CG 4.43Å; K501-W503 HydrophobicContact CB-CZ2 3.85Å; K501-W503 VanDerWaalsContact CB-NE1 3.3Å; K501-W503 HydrophobicContact CD-CH2 4.29Å; K501-W503 HydrophobicContact CD-CZ2 3.56Å; K501-W503 HydrophobicContact CG-CZ2 4.35Å; K501-P510 HydrophobicContact CB-CB 4.24Å; K501-P510 HydrophobicContact CD-CB 4.2Å; K501-P510 HydrophobicContact CD-CG 4.33Å; K501-P510 HydrophobicContact CG-CB 4.41Å; K501-F512 WeakPolarHBondContact CA-O 3.5Å; K501-T513 HydrophobicContact CG-CG2 4.12Å
502	I	95.9	Very high	94.1	Very high	1 Å²	1	35 Å²	35	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	134.2	175.3	-57.9	176.9	0	0	0	108.2	I490 I492 M511 F512 F514 W525 F533 L547	I490-I502 HydrophobicContact CG2-CG2 3.77Å; I492-I502 HydrophobicContact CD1-CG1 4.07Å; I492-I502 HydrophobicContact CG1-CG1 4.06Å; I502-M511 PolarHBondContact O-N 3.22Å; I502-F512 HydrophobicContact CB-CB 4.16Å; I502-F512 HydrophobicContact CB-CD2 4.26Å; I502-F512 HydrophobicContact CD1-CB 4.33Å; I502-F512 HydrophobicContact CD1-CD2 4.23Å; I502-F512 HydrophobicContact CG1-CB 4.39Å; I502-F512 PolarHBondContact N-O 2.76Å; I502-F512 PolarHBondContact O-N 3.32Å; I502-F514 HydrophobicContact CD1-CE2 3.85Å; I502-F514 HydrophobicContact CG1-CE2 4.35Å; I502-W525 HydrophobicContact CD1-CH2 4Å; I502-W525 HydrophobicContact CG2-CZ2 4.45Å; I502-F533 HydrophobicContact CD1-CD1 4.41Å; I502-F533 HydrophobicContact CD1-CE1 3.88Å; I502-F533 HydrophobicContact CD1-CZ 4.48Å; I502-L547 HydrophobicContact CD1-CD1 3.55Å; I502-L547 HydrophobicContact CD1-CD2 3.97Å; I502-L547 HydrophobicContact CD1-CG 4.33Å
503	W	95.5	Very high	93.9	Very high	1 Å²	1	38.5 Å²	38.5	0%	0.004	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	145.3	-169.7	-56.7	87.9	0	0	0	110.8	Y471 A473 I490 F491 S493 K501 K508 P510	Y471-W503 HydrophobicContact CD1-CE3 4.39Å; A473-W503 HydrophobicContact CB-CH2 4Å; A473-W503 HydrophobicContact CB-CZ2 3.51Å; I490-W503 WeakPolarHBondContact CA-O 3.21Å; I490-W503 WeakPolarHBondContact CD1-O 3.49Å; F491-W503 HydrophobicContact CD1-CB 3.83Å; F491-W503 HydrophobicContact CD2-CB 3.99Å; F491-W503 AromaticContact CD2-CD1 3.8Å; F491-W503 HydrophobicContact CD2-CG 4.14Å; F491-W503 HydrophobicContact CE1-CB 3.36Å; F491-W503 HydrophobicContact CE1-CG 4.15Å; F491-W503 HydrophobicContact CE2-CB 3.55Å; F491-W503 AromaticContact CE2-CD1 3.32Å; F491-W503 HydrophobicContact CE2-CD2 4.3Å; F491-W503 AromaticContact CE2-CG 3.46Å; F491-W503 HydrophobicContact CE2-CG 3.46Å; F491-W503 VanDerWaalsContact CE2-CG 3.46Å; F491-W503 HydrophobicContact CG-CB 4.13Å; F491-W503 HydrophobicContact CZ-CB 3.22Å; F491-W503 AromaticContact CZ-CD1 3.87Å; F491-W503 HydrophobicContact CZ-CD2 4.18Å; F491-W503 AromaticContact CZ-CG 3.47Å; F491-W503 HydrophobicContact CZ-CG 3.47Å; F491-W503 VanDerWaalsContact CZ-CG 3.47Å; F491-W503 PolarHBondContact N-O 3.2Å; F491-W503 VanDerWaalsContact N-O 3.07Å; F491-W503 PolarHBondContact O-N 3.13Å; S493-W503 PolarHBondContact OG-NE1 3.42Å; K501-W503 HydrophobicContact CB-CZ2 3.85Å; K501-W503 VanDerWaalsContact CB-NE1 3.3Å; K501-W503 HydrophobicContact CD-CH2 4.29Å; K501-W503 HydrophobicContact CD-CZ2 3.56Å; K501-W503 HydrophobicContact CG-CZ2 4.35Å; W503-K508 WeakPolarHBondContact CZ3-O 3.45Å; W503-P510 HydrophobicContact CD2-CB 4.07Å; W503-P510 HydrophobicContact CE3-CB 3.95Å; W503-P510 HydrophobicContact CH2-CB 3.73Å; W503-P510 HydrophobicContact CH2-CG 3.92Å; W503-P510 HydrophobicContact CZ2-CB 3.87Å; W503-P510 HydrophobicContact CZ2-CG 4.4Å; W503-P510 HydrophobicContact CZ3-CB 3.78Å; W503-P510 VanDerWaalsContact CZ3-CD 3.46Å; W503-P510 HydrophobicContact CZ3-CG 4.12Å
504	D	94.1	Very high	93.8	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	124.3	154.3	-174.9	-22.1	0	0	0	107.6	R489 I490 T506 I507 M511 R628	R489-D504 WeakPolarHBondContact CB-OD1 3.47Å; R489-D504 WeakPolarHBondContact O-CA 3.45Å; I490-D504 HydrophobicContact CD1-CB 4Å; D504-T506 PolarHBondContact O-N 3.4Å; D504-T506 PolarHBondContact OD1-N 3.39Å; D504-T506 PolarHBondContact OD1-OG1 2.9Å; D504-T506 PolarHBondContact OD2-OG1 2.94Å; D504-I507 HydrophobicContact CB-CB 4.45Å; D504-I507 HydrophobicContact CB-CD1 4.18Å; D504-I507 HydrophobicContact CB-CG1 4.18Å; D504-I507 PolarHBondContact O-N 2.83Å; D504-M511 HydrophobicContact CB-CG 4.48Å; D504-M511 HydrophobicContact CB-SD 3.6Å; D504-R628 IonicContact OD2-CZ 2.62Å; D504-R628 IonicContact OD2-NH2 3.95Å; D504-R628 PolarHBondContact OD2-NH2 3.37Å
505	H	92.6	Very high	93.7	Very high	23 Å²	23	44 Å²	44	11%	0.106	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-3.9	178.1	80.4	-35.9	0	0	0	115	K458 Y471 W483 R489 F491	K458-H505 PolarHBondContact NZ-CD2 3.44Å; K458-H505 PolarHBondContact NZ-O 3.3Å; Y471-H505 VanDerWaalsContact OH-C 3.31Å; Y471-H505 WeakPolarHBondContact OH-CA 3.3Å; Y471-H505 PolarHBondContact OH-O 2.84Å; W483-H505 HydrophobicContact CH2-CB 3.69Å; W483-H505 AromaticContact CH2-CD2 3.71Å; W483-H505 AromaticContact CH2-CG 3.77Å; W483-H505 HydrophobicContact CZ3-CB 4.11Å; R489-H505 WeakPolarHBondContact CA-ND1 3.28Å; R489-H505 PolarHBondContact O-N 2.9Å; R489-H505 PolarHBondContact O-ND1 2.85Å; F491-H505 HydrophobicContact CD1-CB 4.04Å; F491-H505 HydrophobicContact CE1-CB 3.86Å
506	T	90.9	Very high	93.6	Very high	93 Å²	93	45.2 Å²	45.2	57%	0.571	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.3	-8.8	169.4	70.6	0	0	0	0	113.4	D504	D504-T506 PolarHBondContact O-N 3.4Å; D504-T506 PolarHBondContact OD1-N 3.39Å; D504-T506 PolarHBondContact OD1-OG1 2.9Å; D504-T506 PolarHBondContact OD2-OG1 2.94Å
507	I	90.6	Very high	93.5	Very high	51 Å²	51	45.8 Å²	45.8	26%	0.262	25%	0.249	S	C	.	.			trans	-122.2	136.3	-173.4	-52.4	179.6	0	0	0	109.1	Y471 D504 T509	Y471-I507 WeakPolarHBondContact CE1-O 3.46Å; D504-I507 HydrophobicContact CB-CB 4.45Å; D504-I507 HydrophobicContact CB-CD1 4.18Å; D504-I507 HydrophobicContact CB-CG1 4.18Å; D504-I507 PolarHBondContact O-N 2.83Å; I507-T509 WeakPolarHBondContact CG2-OG1 3.46Å
508	K	88.9	Confident	93.5	Very high	131 Å²	131	45.5 Å²	45.5	57%	0.57	25%	0.249	S	C	*	.	S	Bend	trans	-80.9	-16.6	-178.5	-67.2	-169.9	179.8	-154.1	0	114.5	E469 W503	E469-K508 WeakPolarHBondContact OE1-CE 3.37Å; E469-K508 IonicContact OE1-NZ 3.82Å; E469-K508 PolarHBondContact OE1-NZ 3.29Å; W503-K508 WeakPolarHBondContact CZ3-O 3.45Å
509	T	90.6	Very high	93.5	Very high	94 Å²	94	41.4 Å²	41.4	58%	0.577	24%	0.238	S	C	*	.	S	Bend	trans	-97.8	144.5	178.3	52.5	0	0	0	0	110.5	I507	I507-T509 WeakPolarHBondContact CG2-OG1 3.46Å
510	P	92.6	Very high	93.5	Very high	45 Å²	45	39.9 Å²	39.9	29%	0.292	23%	0.23	S	C	.	.			trans	-68.3	141	176.3	28.3	-32.3	0	0	0	109.7	K501 W503	K501-P510 HydrophobicContact CB-CB 4.24Å; K501-P510 HydrophobicContact CD-CB 4.2Å; K501-P510 HydrophobicContact CD-CG 4.33Å; K501-P510 HydrophobicContact CG-CB 4.41Å; W503-P510 HydrophobicContact CD2-CB 4.07Å; W503-P510 HydrophobicContact CE3-CB 3.95Å; W503-P510 HydrophobicContact CH2-CB 3.73Å; W503-P510 HydrophobicContact CH2-CG 3.92Å; W503-P510 HydrophobicContact CZ2-CB 3.87Å; W503-P510 HydrophobicContact CZ2-CG 4.4Å; W503-P510 HydrophobicContact CZ3-CB 3.78Å; W503-P510 VanDerWaalsContact CZ3-CD 3.46Å; W503-P510 HydrophobicContact CZ3-CG 4.12Å
511	M	90.9	Very high	93.3	Very high	35 Å²	35	40.7 Å²	40.7	17%	0.172	24%	0.239	C	C	.	.	S	Bend	trans	-80.4	-36.6	177.5	-60.2	-165.5	66.8	0	0	112	I490 I502 D504 L624 L627	I490-M511 HydrophobicContact CD1-SD 4Å; I502-M511 PolarHBondContact O-N 3.22Å; D504-M511 HydrophobicContact CB-CG 4.48Å; D504-M511 HydrophobicContact CB-SD 3.6Å; M511-L624 HydrophobicContact CE-CB 3.98Å; M511-L624 HydrophobicContact CE-CD2 3.33Å; M511-L624 HydrophobicContact CE-CG 4.13Å; M511-L624 HydrophobicContact SD-CD2 3.65Å; M511-L627 HydrophobicContact CE-CD1 4.3Å
512	F	92.4	Very high	93.3	Very high	12 Å²	12	39.5 Å²	39.5	5%	0.053	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	146.6	171.7	-66.8	-83.2	0	0	0	110	K501 I502 F514 K551 L623 L627	K501-F512 WeakPolarHBondContact CA-O 3.5Å; I502-F512 HydrophobicContact CB-CB 4.16Å; I502-F512 HydrophobicContact CB-CD2 4.26Å; I502-F512 HydrophobicContact CD1-CB 4.33Å; I502-F512 HydrophobicContact CD1-CD2 4.23Å; I502-F512 HydrophobicContact CG1-CB 4.39Å; I502-F512 PolarHBondContact N-O 2.76Å; I502-F512 PolarHBondContact O-N 3.32Å; F512-F514 HydrophobicContact CB-CD2 4.28Å; F512-F514 HydrophobicContact CB-CE2 3.5Å; F512-F514 HydrophobicContact CB-CZ 3.88Å; F512-F514 HydrophobicContact CD1-CZ 4.06Å; F512-F514 HydrophobicContact CG-CE2 4.16Å; F512-F514 HydrophobicContact CG-CZ 4.11Å; F512-K551 HydrophobicContact CE1-CB 4.25Å; F512-L623 HydrophobicContact CE2-CD2 3.51Å; F512-L623 HydrophobicContact CZ-CD2 3.6Å; F512-L623 HydrophobicContact CZ-CG 4.45Å; F512-L627 HydrophobicContact CD2-CD1 4.1Å; F512-L627 HydrophobicContact CE1-CD1 3.85Å; F512-L627 HydrophobicContact CE1-CD2 3.97Å; F512-L627 HydrophobicContact CE1-CG 4.5Å; F512-L627 HydrophobicContact CE2-CD1 3.21Å; F512-L627 HydrophobicContact CZ-CD1 3.08Å; F512-L627 HydrophobicContact CZ-CD2 3.96Å; F512-L627 HydrophobicContact CZ-CG 4Å
513	T	94.1	Very high	93.4	Very high	75 Å²	75	39.5 Å²	39.5	46%	0.46	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	121.9	170.6	-60.6	0	0	0	0	107.8	N499 K501	N499-T513 HydrophobicContact CB-CG2 4.28Å; K501-T513 HydrophobicContact CG-CG2 4.12Å
514	F	95.3	Very high	93.4	Very high	7 Å²	7	40 Å²	40	3%	0.031	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	120.7	177.9	-59.4	-81.8	0	0	0	109	N499 V500 I502 F512 F533 F545 L547 K551	N499-F514 CarbonylContact C-O 3.56Å; N499-F514 VanDerWaalsContact CA-O 3.26Å; N499-F514 WeakPolarHBondContact CA-O 3.49Å; V500-F514 HydrophobicContact CB-CB 4.4Å; V500-F514 PolarHBondContact N-O 3.48Å; V500-F514 PolarHBondContact O-N 2.93Å; I502-F514 HydrophobicContact CD1-CE2 3.85Å; I502-F514 HydrophobicContact CG1-CE2 4.35Å; F512-F514 HydrophobicContact CB-CD2 4.28Å; F512-F514 HydrophobicContact CB-CE2 3.5Å; F512-F514 HydrophobicContact CB-CZ 3.88Å; F512-F514 HydrophobicContact CD1-CZ 4.06Å; F512-F514 HydrophobicContact CG-CE2 4.16Å; F512-F514 HydrophobicContact CG-CZ 4.11Å; F514-F533 AromaticContact CD2-CZ 3.98Å; F514-F533 HydrophobicContact CD2-CZ 3.98Å; F514-F533 HydrophobicContact CE2-CE1 4.23Å; F514-F533 AromaticContact CE2-CZ 3.91Å; F514-F533 HydrophobicContact CE2-CZ 3.91Å; F514-F533 HydrophobicContact CZ-CZ 4.5Å; F514-F545 HydrophobicContact CD1-CD1 4.15Å; F514-F545 AromaticContact CD1-CE1 3.8Å; F514-F545 HydrophobicContact CD1-CE1 3.8Å; F514-F545 HydrophobicContact CE1-CD1 4.19Å; F514-F545 HydrophobicContact CE1-CE1 4.28Å; F514-F545 HydrophobicContact CG-CE1 4.26Å; F514-L547 HydrophobicContact CE2-CD2 4.01Å; F514-L547 HydrophobicContact CZ-CD2 3.48Å; F514-L547 VanDerWaalsContact CZ-CD2 3.48Å; F514-K551 WeakPolarHBondContact CE1-O 3.38Å; F514-K551 WeakPolarHBondContact CZ-O 3.46Å
515	D	94.8	Very high	93.5	Very high	107 Å²	107	40.1 Å²	40.1	57%	0.572	24%	0.238	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-93.7	119.5	173.1	-176.1	-3.3	0	0	0	109.3	G517	D515-G517 PolarHBondContact OD1-N 3.41Å
516	L	93.4	Very high	93.6	Very high	26 Å²	26	39 Å²	39	14%	0.136	23%	0.233	C	C	.	.			trans	-94.8	-4.8	-179.3	-53.3	-171.1	0	0	0	113.1	W498 V500 S518 V520 A535 T537 F545	W498-L516 PolarHBondContact O-N 3.1Å; V500-L516 HydrophobicContact CG2-CD1 3.9Å; V500-L516 HydrophobicContact CG2-CG 4.39Å; L516-S518 PolarHBondContact O-N 2.83Å; L516-V520 HydrophobicContact CB-CG2 4.44Å; L516-V520 HydrophobicContact CD1-CG1 4.27Å; L516-V520 HydrophobicContact CD1-CG2 3.77Å; L516-V520 HydrophobicContact CG-CG2 4.26Å; L516-A535 HydrophobicContact CD1-CB 3.79Å; L516-T537 HydrophobicContact CB-CG2 3.82Å; L516-T537 HydrophobicContact CD1-CG2 3.8Å; L516-T537 HydrophobicContact CG-CG2 4.47Å; L516-F545 HydrophobicContact CD2-CE2 3.97Å; L516-F545 HydrophobicContact CD2-CZ 3.5Å; L516-F545 VanDerWaalsContact CD2-CZ 3.5Å
517	G	92.7	Very high	93.5	Very high	52 Å²	52	36.1 Å²	36.1	54%	0.536	22%	0.216	S	C	.	.	S	Bend	trans	71	8.2	179.3	0	0	0	0	0	115.5	D515	D515-G517 PolarHBondContact OD1-N 3.41Å
518	S	94.4	Very high	93.4	Very high	16 Å²	16	36.7 Å²	36.7	11%	0.112	22%	0.215	C	C	.	.	S	Bend	trans	-153.6	153.2	177	170.6	0	0	0	0	109.3	W498 L516 V520 D539	W498-S518 WeakPolarHBondContact CA-O 3.5Å; L516-S518 PolarHBondContact O-N 2.83Å; S518-V520 PolarHBondContact O-N 2.89Å; S518-D539 PolarHBondContact OG-N 3Å
519	P	95.3	Very high	93.5	Very high	36 Å²	36	30.8 Å²	30.8	23%	0.234	19%	0.19	C	C	.	.			trans	-54.7	135.6	175	-24.3	33.7	0	0	0	111.4	W498 T537 I538	W498-P519 VanDerWaalsContact CD1-CD 3.47Å; W498-P519 VanDerWaalsContact NE1-CD 3.32Å; P519-T537 WeakPolarHBondContact O-CA 3.38Å; P519-I538 HydrophobicContact CB-CD1 3.71Å; P519-I538 HydrophobicContact CB-CG1 4.15Å; P519-I538 HydrophobicContact CG-CD1 4.35Å; P519-I538 PolarHBondContact O-N 2.87Å
520	V	95.8	Very high	93.5	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	118.4	-176.9	-168.4	0	0	0	0	108.1	C494 S495 V500 L516 S518 A535 V536	C494-V520 HydrophobicContact CB-CB 4.07Å; C494-V520 HydrophobicContact CB-CG1 3.76Å; S495-V520 PolarHBondContact O-N 3.27Å; V500-V520 HydrophobicContact CG2-CG1 4Å; V500-V520 HydrophobicContact CG2-CG2 4.12Å; L516-V520 HydrophobicContact CB-CG2 4.44Å; L516-V520 HydrophobicContact CD1-CG1 4.27Å; L516-V520 HydrophobicContact CD1-CG2 3.77Å; L516-V520 HydrophobicContact CG-CG2 4.26Å; S518-V520 PolarHBondContact O-N 2.89Å; V520-A535 HydrophobicContact CG1-CB 4.17Å; V520-V536 CarbonylContact C-O 3.59Å; V520-V536 WeakPolarHBondContact CA-O 3.14Å; V520-V536 WeakPolarHBondContact CG1-O 3.46Å
521	G	92.5	Very high	93.4	Very high	17 Å²	17	24.2 Å²	24.2	18%	0.175	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	-42.4	-178.9	0	0	0	0	0	112.8	V536 T568	G521-V536 PolarHBondContact N-O 3.17Å; G521-T568 CarbonylContact C-O 3.54Å
522	D	96.2	Very high	93.6	Very high	8 Å²	8	22.7 Å²	22.7	4%	0.043	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	154.6	-174.8	-166.2	-2.4	0	0	0	111	T480 A535 V536 T568 H569 I570	T480-D522 HydrophobicContact CG2-CB 4.35Å; T480-D522 WeakPolarHBondContact CG2-OD1 2.95Å; D522-A535 WeakPolarHBondContact O-CA 3.44Å; D522-V536 PolarHBondContact O-N 2.87Å; D522-T568 WeakPolarHBondContact CB-O 3.35Å; D522-H569 WeakPolarHBondContact OD2-CA 3.17Å; D522-H569 IonicContact OD2-CE1 4Å; D522-H569 IonicContact OD2-CG 3.85Å; D522-H569 IonicContact OD2-ND1 3.03Å; D522-H569 PolarHBondContact OD2-ND1 3.21Å; D522-I570 HydrophobicContact CB-CG2 4.07Å; D522-I570 PolarHBondContact OD2-N 3.33Å
523	V	97.1	Very high	93.7	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	138.7	175	77.4	0	0	0	0	110.7	T480 I492 C494 V500 F533 A534 A535	T480-V523 WeakPolarHBondContact OG1-CG1 3.42Å; I492-V523 HydrophobicContact CD1-CG1 4.39Å; I492-V523 HydrophobicContact CD1-CG2 3.65Å; I492-V523 HydrophobicContact CG1-CG1 4.14Å; I492-V523 HydrophobicContact CG1-CG2 4.26Å; I492-V523 HydrophobicContact CG2-CG1 3.73Å; C494-V523 HydrophobicContact CB-CB 4.08Å; C494-V523 HydrophobicContact CB-CG1 3.94Å; V500-V523 HydrophobicContact CG1-CG2 4.1Å; V523-F533 HydrophobicContact CG2-CD2 3.79Å; V523-F533 HydrophobicContact CG2-CE2 4.41Å; V523-A534 WeakPolarHBondContact CA-O 3.08Å; V523-A534 VanDerWaalsContact CG2-O 3.3Å; V523-A534 WeakPolarHBondContact CG2-O 3.4Å; V523-A535 HydrophobicContact CG2-CB 4.07Å
524	C	96.4	Very high	93.8	Very high	12 Å²	12	18.6 Å²	18.6	8%	0.081	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	137.8	-179.5	-169.5	0	0	0	0	111.4	F533 A534 I570 F572	C524-F533 VanDerWaalsContact O-CA 3.31Å; C524-F533 WeakPolarHBondContact O-CA 3.48Å; C524-F533 WeakPolarHBondContact O-CB 3Å; C524-A534 PolarHBondContact N-O 3.2Å; C524-A534 PolarHBondContact O-N 3.3Å; C524-I570 HydrophobicContact CB-CG2 4.22Å; C524-F572 HydrophobicContact CB-CD2 4.05Å; C524-F572 HydrophobicContact CB-CE2 4.44Å; C524-F572 WeakPolarHBondContact O-CE2 3.37Å
525	W	95.9	Very high	93.9	Very high	2 Å²	2	18.2 Å²	18.2	1%	0.008	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	144.8	171.3	-74.1	107.7	0	0	0	110.6	K482 H485 I490 I492 I502 S530 F533 L547 M620	K482-W525 PolarHBondContact O-NE1 3.22Å; H485-W525 PolarHBondContact CE1-O 3.38Å; I490-W525 HydrophobicContact CG2-CZ2 4.09Å; I492-W525 HydrophobicContact CB-CZ2 3.8Å; I492-W525 HydrophobicContact CD1-CZ2 4.09Å; I492-W525 HydrophobicContact CG1-CZ2 4.46Å; I492-W525 HydrophobicContact CG2-CZ2 4.36Å; I502-W525 HydrophobicContact CD1-CH2 4Å; I502-W525 HydrophobicContact CG2-CZ2 4.45Å; W525-S530 WeakPolarHBondContact CZ3-O 3.36Å; W525-F533 HydrophobicContact CD2-CB 4.23Å; W525-F533 HydrophobicContact CE3-CB 3.79Å; W525-F533 HydrophobicContact CH2-CD1 4.33Å; W525-F533 HydrophobicContact CZ3-CB 4.1Å; W525-F533 AromaticContact CZ3-CD1 4Å; W525-F533 HydrophobicContact CZ3-CD1 4Å; W525-F533 HydrophobicContact CZ3-CG 4.46Å; W525-L547 HydrophobicContact CH2-CD1 4.22Å; W525-L547 HydrophobicContact CZ3-CD1 4.39Å; W525-M620 HydrophobicContact CH2-CE 4.1Å; W525-M620 HydrophobicContact CZ3-CE 4.27Å
526	A	93.9	Very high	93.9	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	9%	0.088	C	C	.	.			trans	-64.2	137.7	168.8	0	0	0	0	0	110.3	H485 Y528 S529 I532 F572	H485-A526 PolarHBondContact ND1-O 3.23Å; A526-Y528 HydrophobicContact CB-CD2 4.31Å; A526-Y528 HydrophobicContact CB-CE1 4.47Å; A526-Y528 HydrophobicContact CB-CE2 3.92Å; A526-Y528 PolarHBondContact O-N 3.01Å; A526-S529 VanDerWaalsContact O-O 3.12Å; A526-I532 HydrophobicContact CB-CB 3.8Å; A526-I532 HydrophobicContact CB-CG2 3.87Å; A526-I532 WeakPolarHBondContact CB-O 3.39Å; A526-I532 PolarHBondContact N-O 3.41Å; A526-F572 HydrophobicContact CB-CD1 4.31Å; A526-F572 HydrophobicContact CB-CE1 4.11Å; A526-F572 HydrophobicContact CB-CZ 4.29Å
527	P	90.8	Very high	94	Very high	33 Å²	33	12 Å²	12	21%	0.214	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-11.3	-179.9	28.1	-32.3	0	0	0	112.8	F486 F572 N573	F486-P527 WeakPolarHBondContact CE2-O 3.32Å; F486-P527 WeakPolarHBondContact CZ-O 3.23Å; P527-F572 VanDerWaalsContact CD-CB 3.42Å; P527-F572 HydrophobicContact CG-CB 4.09Å; P527-N573 VanDerWaalsContact CG-O 3.25Å; P527-N573 WeakPolarHBondContact CG-O 3.48Å
528	Y	88.4	Confident	94	Very high	62 Å²	62	12.4 Å²	12.4	24%	0.243	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.8	-1.4	-176	50.5	-104.9	0	0	0	114.4	A526 I532 F572 L593	A526-Y528 HydrophobicContact CB-CD2 4.31Å; A526-Y528 HydrophobicContact CB-CE1 4.47Å; A526-Y528 HydrophobicContact CB-CE2 3.92Å; A526-Y528 PolarHBondContact O-N 3.01Å; Y528-I532 HydrophobicContact CE2-CD1 4.4Å; Y528-F572 HydrophobicContact CE1-CD1 4.39Å; Y528-L593 WeakPolarHBondContact OH-CD1 3.46Å
529	S	90	Very high	93.8	Very high	8 Å²	8	14.9 Å²	14.9	6%	0.056	8%	0.084	C	C	.	.			trans	-148.7	146	172.2	-171.2	0	0	0	0	112	A526 E616	A526-S529 VanDerWaalsContact O-O 3.12Å; S529-E616 VanDerWaalsContact CA-OE2 3.25Å; S529-E616 WeakPolarHBondContact CA-OE2 3.16Å; S529-E616 WeakPolarHBondContact CB-OE2 3.29Å; S529-E616 PolarHBondContact OG-OE2 3.5Å
530	S	90.5	Very high	93.6	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.081	C	C	.	.	S	Bend	trans	-76	-24.3	179.4	60.7	0	0	0	0	113.8	N484 W525 E616 M620	N484-S530 PolarHBondContact ND2-O 2.9Å; W525-S530 WeakPolarHBondContact CZ3-O 3.36Å; S530-E616 WeakPolarHBondContact CB-O 3.5Å; S530-E616 PolarHBondContact N-OE2 3.46Å; S530-E616 PolarHBondContact OG-O 3.28Å; S530-M620 WeakPolarHBondContact O-CE 3.31Å
531	T	91.7	Very high	93.5	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.096	C	C	.	.	S	Bend	trans	-100.3	-7.6	-171.1	61.1	0	0	0	0	114.7	D546 L547 K619 M620	T531-D546 WeakPolarHBondContact CB-OD1 3.41Å; T531-D546 PolarHBondContact OG1-OD1 3.32Å; T531-L547 WeakPolarHBondContact O-CG 3.44Å; T531-L547 PolarHBondContact O-N 2.9Å; T531-K619 HydrophobicContact CG2-CD 3.9Å; T531-K619 HydrophobicContact CG2-CG 4.05Å; T531-K619 WeakPolarHBondContact OG1-CE 3.36Å; T531-K619 PolarHBondContact OG1-NZ 3.19Å; T531-M620 HydrophobicContact CG2-CE 4.4Å
532	I	93.4	Very high	93.6	Very high	4 Å²	4	18 Å²	18	2%	0.021	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	129.5	-175.7	-60.6	169.8	0	0	0	109.3	A526 Y528 V544 F545 D546 L597	A526-I532 HydrophobicContact CB-CB 3.8Å; A526-I532 HydrophobicContact CB-CG2 3.87Å; A526-I532 WeakPolarHBondContact CB-O 3.39Å; A526-I532 PolarHBondContact N-O 3.41Å; Y528-I532 HydrophobicContact CE2-CD1 4.4Å; I532-V544 HydrophobicContact CG2-CG1 4.32Å; I532-F545 VanDerWaalsContact CA-O 3.28Å; I532-F545 WeakPolarHBondContact CA-O 3.45Å; I532-D546 HydrophobicContact CG1-CB 3.88Å; I532-L597 WeakPolarHBondContact CD1-O 3.43Å
533	F	95.7	Very high	93.6	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	159.4	169.9	69.4	-87.7	0	0	0	110.3	I492 V500 I502 F514 V523 C524 W525 F545 L547	I492-F533 HydrophobicContact CD1-CB 4.2Å; I492-F533 HydrophobicContact CD1-CD1 4.15Å; I492-F533 HydrophobicContact CD1-CD2 3.64Å; I492-F533 HydrophobicContact CD1-CE1 4.45Å; I492-F533 HydrophobicContact CD1-CE2 3.97Å; I492-F533 HydrophobicContact CD1-CG 3.73Å; I492-F533 HydrophobicContact CD1-CZ 4.36Å; V500-F533 HydrophobicContact CG1-CE2 3.97Å; V500-F533 HydrophobicContact CG1-CZ 4.5Å; I502-F533 HydrophobicContact CD1-CD1 4.41Å; I502-F533 HydrophobicContact CD1-CE1 3.88Å; I502-F533 HydrophobicContact CD1-CZ 4.48Å; F514-F533 AromaticContact CD2-CZ 3.98Å; F514-F533 HydrophobicContact CD2-CZ 3.98Å; F514-F533 HydrophobicContact CE2-CE1 4.23Å; F514-F533 AromaticContact CE2-CZ 3.91Å; F514-F533 HydrophobicContact CE2-CZ 3.91Å; F514-F533 HydrophobicContact CZ-CZ 4.5Å; V523-F533 HydrophobicContact CG2-CD2 3.79Å; V523-F533 HydrophobicContact CG2-CE2 4.41Å; C524-F533 VanDerWaalsContact O-CA 3.31Å; C524-F533 WeakPolarHBondContact O-CA 3.48Å; C524-F533 WeakPolarHBondContact O-CB 3Å; W525-F533 HydrophobicContact CD2-CB 4.23Å; W525-F533 HydrophobicContact CE3-CB 3.79Å; W525-F533 HydrophobicContact CH2-CD1 4.33Å; W525-F533 HydrophobicContact CZ3-CB 4.1Å; W525-F533 AromaticContact CZ3-CD1 4Å; W525-F533 HydrophobicContact CZ3-CD1 4Å; W525-F533 HydrophobicContact CZ3-CG 4.46Å; F533-F545 HydrophobicContact CD1-CB 3.86Å; F533-F545 HydrophobicContact CD2-CB 4.35Å; F533-F545 AromaticContact CD2-CD2 3.99Å; F533-F545 HydrophobicContact CD2-CD2 3.99Å; F533-F545 HydrophobicContact CD2-CG 4.48Å; F533-F545 HydrophobicContact CE1-CB 3.38Å; F533-F545 HydrophobicContact CE1-CD2 4.32Å; F533-F545 AromaticContact CE1-CG 3.89Å; F533-F545 HydrophobicContact CE1-CG 3.89Å; F533-F545 HydrophobicContact CE2-CB 3.93Å; F533-F545 AromaticContact CE2-CD2 3.28Å; F533-F545 HydrophobicContact CE2-CD2 3.28Å; F533-F545 AromaticContact CE2-CE2 3.91Å; F533-F545 HydrophobicContact CE2-CE2 3.91Å; F533-F545 AromaticContact CE2-CG 3.71Å; F533-F545 HydrophobicContact CE2-CG 3.71Å; F533-F545 HydrophobicContact CG-CB 4.32Å; F533-F545 HydrophobicContact CZ-CB 3.43Å; F533-F545 VanDerWaalsContact CZ-CB 3.43Å; F533-F545 HydrophobicContact CZ-CD1 4Å; F533-F545 AromaticContact CZ-CD2 3.48Å; F533-F545 HydrophobicContact CZ-CD2 3.48Å; F533-F545 VanDerWaalsContact CZ-CD2 3.48Å; F533-F545 HydrophobicContact CZ-CE2 4.22Å; F533-F545 AromaticContact CZ-CG 3.36Å; F533-F545 HydrophobicContact CZ-CG 3.36Å; F533-F545 PolarHBondContact N-O 3.02Å; F533-F545 VanDerWaalsContact N-O 3.1Å; F533-F545 PolarHBondContact O-N 3.04Å; F533-L547 HydrophobicContact CE1-CD1 4.44Å; F533-L547 HydrophobicContact CE1-CD2 3.95Å; F533-L547 HydrophobicContact CE1-CG 4.15Å
534	A	96.6	Very high	93.5	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	145.3	172.5	0	0	0	0	0	110.3	V523 C524 H543 V544 I570 F572	V523-A534 WeakPolarHBondContact CA-O 3.08Å; V523-A534 VanDerWaalsContact CG2-O 3.3Å; V523-A534 WeakPolarHBondContact CG2-O 3.4Å; C524-A534 PolarHBondContact N-O 3.2Å; C524-A534 PolarHBondContact O-N 3.3Å; A534-H543 CarbonylContact C-O 3.52Å; A534-H543 WeakPolarHBondContact CA-O 3.27Å; A534-V544 HydrophobicContact CB-CG2 4.13Å; A534-I570 HydrophobicContact CB-CD1 3.52Å; A534-F572 HydrophobicContact CB-CE2 3.52Å; A534-F572 HydrophobicContact CB-CZ 3.58Å
535	A	96.7	Very high	93.4	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	147.3	178.8	0	0	0	0	0	109.9	V500 L516 V520 D522 V523 H543	V500-A535 HydrophobicContact CG2-CB 4.13Å; L516-A535 HydrophobicContact CD1-CB 3.79Å; V520-A535 HydrophobicContact CG1-CB 4.17Å; D522-A535 WeakPolarHBondContact O-CA 3.44Å; V523-A535 HydrophobicContact CG2-CB 4.07Å; A535-H543 PolarHBondContact N-O 2.57Å; A535-H543 PolarHBondContact O-N 3.31Å
536	V	95.8	Very high	93.2	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	131.7	179	167.2	0	0	0	0	110.2	V520 G521 D522 V542 L567 I570 V581	V520-V536 CarbonylContact C-O 3.59Å; V520-V536 WeakPolarHBondContact CA-O 3.14Å; V520-V536 WeakPolarHBondContact CG1-O 3.46Å; G521-V536 PolarHBondContact N-O 3.17Å; D522-V536 PolarHBondContact O-N 2.87Å; V536-V542 HydrophobicContact CG2-CG2 4.15Å; V536-L567 HydrophobicContact CG1-CB 3.15Å; V536-L567 HydrophobicContact CG1-CD1 3.98Å; V536-L567 HydrophobicContact CG1-CG 4.21Å; V536-I570 HydrophobicContact CB-CB 4.46Å; V536-I570 HydrophobicContact CB-CG2 4.42Å; V536-I570 HydrophobicContact CG2-CB 3.56Å; V536-I570 HydrophobicContact CG2-CD1 3.67Å; V536-I570 HydrophobicContact CG2-CG1 4.14Å; V536-I570 HydrophobicContact CG2-CG2 3.89Å; V536-V581 HydrophobicContact CG2-CG1 4.11Å
537	T	94.9	Very high	93	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.006	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	152.2	176	61.1	0	0	0	0	111.3	L516 P519 D539 R540 K541	L516-T537 HydrophobicContact CB-CG2 3.82Å; L516-T537 HydrophobicContact CD1-CG2 3.8Å; L516-T537 HydrophobicContact CG-CG2 4.47Å; P519-T537 WeakPolarHBondContact O-CA 3.38Å; T537-D539 PolarHBondContact O-N 3.4Å; T537-R540 PolarHBondContact O-N 3.05Å; T537-K541 PolarHBondContact N-O 2.85Å; T537-K541 WeakPolarHBondContact OG1-CB 3.33Å; T537-K541 PolarHBondContact OG1-N 3.46Å; T537-K541 PolarHBondContact OG1-O 3.43Å; T537-K541 VanDerWaalsContact OG1-O 3.06Å
538	I	91.9	Very high	92.8	Very high	61 Å²	61	19.2 Å²	19.2	31%	0.313	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-25.3	175.4	-62.7	-173.2	0	0	0	111.7	P519 R540 R566	P519-I538 HydrophobicContact CB-CD1 3.71Å; P519-I538 HydrophobicContact CB-CG1 4.15Å; P519-I538 HydrophobicContact CG-CD1 4.35Å; P519-I538 PolarHBondContact O-N 2.87Å; I538-R540 PolarHBondContact O-N 3.17Å; I538-R540 VanDerWaalsContact O-N 3.09Å; I538-R566 HydrophobicContact CG2-CB 3.99Å; I538-R566 HydrophobicContact CG2-CG 3.63Å
539	D	90.2	Very high	92.7	Very high	69 Å²	69	18.9 Å²	18.9	37%	0.369	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	23.8	175.5	-167.9	36	0	0	0	114.5	S518 T537 K541	S518-D539 PolarHBondContact OG-N 3Å; T537-D539 PolarHBondContact O-N 3.4Å; D539-K541 PolarHBondContact O-N 3.04Å; D539-K541 IonicContact OD2-NZ 2.73Å
540	R	91.1	Very high	92.5	Very high	48 Å²	48	20.7 Å²	20.7	18%	0.181	11%	0.106	C	C	.	.	S	Bend	trans	70.5	10.1	172.6	-55.7	163.1	-65.1	162.5	4.8	115.8	T537 I538 I559 V560 A562 K563 I565 L567	T537-R540 PolarHBondContact O-N 3.05Å; I538-R540 PolarHBondContact O-N 3.17Å; I538-R540 VanDerWaalsContact O-N 3.09Å; R540-I559 HydrophobicContact CB-CG2 4.16Å; R540-I559 WeakPolarHBondContact O-CA 3.23Å; R540-V560 PolarHBondContact O-N 2.93Å; R540-V560 VanDerWaalsContact O-N 3.14Å; R540-A562 PolarHBondContact NH1-O 3.38Å; R540-K563 WeakPolarHBondContact CD-O 3.44Å; R540-K563 PolarHBondContact NH1-O 3.37Å; R540-I565 VanDerWaalsContact CD-O 3.27Å; R540-I565 WeakPolarHBondContact CD-O 3.44Å; R540-I565 WeakPolarHBondContact CG-O 3.19Å; R540-L567 VanDerWaalsContact C-CD1 3.47Å
541	K	93.3	Very high	92.2	Very high	69 Å²	69	24.1 Å²	24.1	30%	0.3	12%	0.121	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	131.2	179.4	-64.9	171.9	-173.6	164.6	0	110.1	T537 D539 H543 Q558 I559	T537-K541 PolarHBondContact N-O 2.85Å; T537-K541 WeakPolarHBondContact OG1-CB 3.33Å; T537-K541 PolarHBondContact OG1-N 3.46Å; T537-K541 PolarHBondContact OG1-O 3.43Å; T537-K541 VanDerWaalsContact OG1-O 3.06Å; D539-K541 PolarHBondContact O-N 3.04Å; D539-K541 IonicContact OD2-NZ 2.73Å; K541-H543 WeakPolarHBondContact CB-NE2 2.88Å; K541-Q558 WeakPolarHBondContact CA-O 3.28Å; K541-I559 HydrophobicContact CG-CG1 3.81Å
542	V	95.6	Very high	91.8	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	127	163.9	-179.1	0	0	0	0	107.2	L254 V536 V544 Q558 V560 L567 I570 I579 V581 L591	L254-V542 HydrophobicContact CD1-CB 3.77Å; L254-V542 HydrophobicContact CD1-CG1 3.69Å; V536-V542 HydrophobicContact CG2-CG2 4.15Å; V542-V544 HydrophobicContact CG1-CG2 4.42Å; V542-Q558 PolarHBondContact N-O 2.94Å; V542-Q558 PolarHBondContact O-N 2.81Å; V542-Q558 VanDerWaalsContact O-N 3.09Å; V542-V560 HydrophobicContact CB-CG2 4.03Å; V542-V560 HydrophobicContact CG2-CB 4.32Å; V542-V560 HydrophobicContact CG2-CG2 3.47Å; V542-V560 VanDerWaalsContact CG2-CG2 3.47Å; V542-L567 HydrophobicContact CG2-CD1 4.1Å; V542-I570 HydrophobicContact CG1-CD1 3.96Å; V542-I579 HydrophobicContact CG1-CD1 3.94Å; V542-V581 HydrophobicContact CG2-CG1 4.43Å; V542-V581 HydrophobicContact CG2-CG2 4Å; V542-L591 HydrophobicContact CG2-CD1 4.2Å
543	H	95.4	Very high	91.5	Very high	19 Å²	19	38 Å²	38	9%	0.088	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	131.3	176.7	-60.7	-100	0	0	0	108.9	A534 A535 K541 F545 C556	A534-H543 CarbonylContact C-O 3.52Å; A534-H543 WeakPolarHBondContact CA-O 3.27Å; A535-H543 PolarHBondContact N-O 2.57Å; A535-H543 PolarHBondContact O-N 3.31Å; K541-H543 WeakPolarHBondContact CB-NE2 2.88Å; H543-F545 HydrophobicContact CB-CD2 4.27Å; H543-F545 HydrophobicContact CB-CE2 3.49Å; H543-F545 VanDerWaalsContact CB-CE2 3.49Å; H543-F545 HydrophobicContact CB-CZ 4.15Å; H543-C556 CarbonylContact C-O 3.57Å; H543-C556 VanDerWaalsContact CA-O 3.3Å; H543-C556 WeakPolarHBondContact CA-O 3.19Å
544	V	95.5	Very high	91.1	Very high	1 Å²	1	39 Å²	39	1%	0.006	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	128.6	173.6	-174.7	0	0	0	0	108.7	L254 I532 A534 V542 I555 C556 L593 L597	L254-V544 HydrophobicContact CD2-CG2 4.2Å; I532-V544 HydrophobicContact CG2-CG1 4.32Å; A534-V544 HydrophobicContact CB-CG2 4.13Å; V542-V544 HydrophobicContact CG1-CG2 4.42Å; V544-I555 PolarHBondContact O-N 2.9Å; V544-C556 HydrophobicContact CB-CB 4.23Å; V544-C556 PolarHBondContact N-O 3.34Å; V544-C556 PolarHBondContact O-N 2.94Å; V544-L593 HydrophobicContact CG2-CD2 4.28Å; V544-L597 HydrophobicContact CB-CD1 4.4Å; V544-L597 HydrophobicContact CB-CD2 4.21Å; V544-L597 HydrophobicContact CG1-CB 4.47Å; V544-L597 HydrophobicContact CG1-CD1 4.42Å; V544-L597 HydrophobicContact CG1-CD2 4.08Å; V544-L597 HydrophobicContact CG2-CD1 4.37Å
545	F	94.1	Very high	90.8	Very high	5 Å²	5	39.5 Å²	39.5	2%	0.022	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	138.7	-178.1	-65.8	-96.7	0	0	0	109.4	F514 L516 I532 F533 H543 G554	F514-F545 HydrophobicContact CD1-CD1 4.15Å; F514-F545 AromaticContact CD1-CE1 3.8Å; F514-F545 HydrophobicContact CD1-CE1 3.8Å; F514-F545 HydrophobicContact CE1-CD1 4.19Å; F514-F545 HydrophobicContact CE1-CE1 4.28Å; F514-F545 HydrophobicContact CG-CE1 4.26Å; L516-F545 HydrophobicContact CD2-CE2 3.97Å; L516-F545 HydrophobicContact CD2-CZ 3.5Å; L516-F545 VanDerWaalsContact CD2-CZ 3.5Å; I532-F545 VanDerWaalsContact CA-O 3.28Å; I532-F545 WeakPolarHBondContact CA-O 3.45Å; F533-F545 HydrophobicContact CD1-CB 3.86Å; F533-F545 HydrophobicContact CD2-CB 4.35Å; F533-F545 AromaticContact CD2-CD2 3.99Å; F533-F545 HydrophobicContact CD2-CD2 3.99Å; F533-F545 HydrophobicContact CD2-CG 4.48Å; F533-F545 HydrophobicContact CE1-CB 3.38Å; F533-F545 HydrophobicContact CE1-CD2 4.32Å; F533-F545 AromaticContact CE1-CG 3.89Å; F533-F545 HydrophobicContact CE1-CG 3.89Å; F533-F545 HydrophobicContact CE2-CB 3.93Å; F533-F545 AromaticContact CE2-CD2 3.28Å; F533-F545 HydrophobicContact CE2-CD2 3.28Å; F533-F545 AromaticContact CE2-CE2 3.91Å; F533-F545 HydrophobicContact CE2-CE2 3.91Å; F533-F545 AromaticContact CE2-CG 3.71Å; F533-F545 HydrophobicContact CE2-CG 3.71Å; F533-F545 HydrophobicContact CG-CB 4.32Å; F533-F545 HydrophobicContact CZ-CB 3.43Å; F533-F545 VanDerWaalsContact CZ-CB 3.43Å; F533-F545 HydrophobicContact CZ-CD1 4Å; F533-F545 AromaticContact CZ-CD2 3.48Å; F533-F545 HydrophobicContact CZ-CD2 3.48Å; F533-F545 VanDerWaalsContact CZ-CD2 3.48Å; F533-F545 HydrophobicContact CZ-CE2 4.22Å; F533-F545 AromaticContact CZ-CG 3.36Å; F533-F545 HydrophobicContact CZ-CG 3.36Å; F533-F545 PolarHBondContact N-O 3.02Å; F533-F545 VanDerWaalsContact N-O 3.1Å; F533-F545 PolarHBondContact O-N 3.04Å; H543-F545 HydrophobicContact CB-CD2 4.27Å; H543-F545 HydrophobicContact CB-CE2 3.49Å; H543-F545 VanDerWaalsContact CB-CE2 3.49Å; H543-F545 HydrophobicContact CB-CZ 4.15Å; F545-G554 VanDerWaalsContact CD1-CA 3.43Å
546	D	91.9	Very high	90.6	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.011	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	106.1	160.1	-173.8	-12.1	0	0	0	108.4	T531 I532 S548 I549 N550 I555 K619	T531-D546 WeakPolarHBondContact CB-OD1 3.41Å; T531-D546 PolarHBondContact OG1-OD1 3.32Å; I532-D546 HydrophobicContact CG1-CB 3.88Å; D546-S548 VanDerWaalsContact CG-OG 3.27Å; D546-S548 PolarHBondContact O-N 3.38Å; D546-S548 VanDerWaalsContact O-N 3.07Å; D546-S548 WeakPolarHBondContact OD1-CB 3.05Å; D546-S548 PolarHBondContact OD1-N 3.19Å; D546-S548 PolarHBondContact OD1-OG 3.32Å; D546-S548 PolarHBondContact OD2-OG 2.64Å; D546-I549 HydrophobicContact CB-CB 4.46Å; D546-I549 HydrophobicContact CB-CD1 4.21Å; D546-I549 HydrophobicContact CB-CG1 4.36Å; D546-I549 PolarHBondContact O-N 2.92Å; D546-N550 PolarHBondContact O-N 3.38Å; D546-N550 VanDerWaalsContact O-O 3.05Å; D546-I555 HydrophobicContact CB-CD1 3.33Å; D546-K619 IonicContact OD1-NZ 2.8Å
547	L	89.6	Confident	90.4	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.005	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-25.8	-177.4	-59.2	168.5	0	0	0	112.3	I502 F514 W525 T531 F533 I549 M620 L623	I502-L547 HydrophobicContact CD1-CD1 3.55Å; I502-L547 HydrophobicContact CD1-CD2 3.97Å; I502-L547 HydrophobicContact CD1-CG 4.33Å; F514-L547 HydrophobicContact CE2-CD2 4.01Å; F514-L547 HydrophobicContact CZ-CD2 3.48Å; F514-L547 VanDerWaalsContact CZ-CD2 3.48Å; W525-L547 HydrophobicContact CH2-CD1 4.22Å; W525-L547 HydrophobicContact CZ3-CD1 4.39Å; T531-L547 WeakPolarHBondContact O-CG 3.44Å; T531-L547 PolarHBondContact O-N 2.9Å; F533-L547 HydrophobicContact CE1-CD1 4.44Å; F533-L547 HydrophobicContact CE1-CD2 3.95Å; F533-L547 HydrophobicContact CE1-CG 4.15Å; L547-I549 VanDerWaalsContact C-N 3.32Å; L547-M620 HydrophobicContact CD1-CE 4.26Å; L547-L623 VanDerWaalsContact C-CD1 3.43Å; L547-L623 HydrophobicContact CB-CD1 3.64Å; L547-L623 HydrophobicContact CB-CD2 4.41Å; L547-L623 WeakPolarHBondContact O-CD1 3.21Å
548	S	86.8	Confident	90.3	Very high	53 Å²	53	48.4 Å²	48.4	37%	0.371	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-19.3	-179.7	69.8	0	0	0	0	114.1	D546 K619	D546-S548 VanDerWaalsContact CG-OG 3.27Å; D546-S548 PolarHBondContact O-N 3.38Å; D546-S548 VanDerWaalsContact O-N 3.07Å; D546-S548 WeakPolarHBondContact OD1-CB 3.05Å; D546-S548 PolarHBondContact OD1-N 3.19Å; D546-S548 PolarHBondContact OD1-OG 3.32Å; D546-S548 PolarHBondContact OD2-OG 2.64Å; S548-K619 VanDerWaalsContact CB-CE 3.43Å; S548-K619 VanDerWaalsContact OG-CE 3.24Å; S548-K619 WeakPolarHBondContact OG-CE 3.41Å; S548-K619 PolarHBondContact OG-NZ 3.09Å; S548-K619 VanDerWaalsContact OG-NZ 3.16Å
549	I	85.3	Confident	90.4	Very high	55 Å²	55	49.9 Å²	49.9	28%	0.282	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	-58.9	179.4	-60.8	174	0	0	0	109.2	Q250 D546 L547 I555	Q250-I549 HydrophobicContact CB-CG2 3.97Å; Q250-I549 HydrophobicContact CG-CG2 3.99Å; D546-I549 HydrophobicContact CB-CB 4.46Å; D546-I549 HydrophobicContact CB-CD1 4.21Å; D546-I549 HydrophobicContact CB-CG1 4.36Å; D546-I549 PolarHBondContact O-N 2.92Å; L547-I549 VanDerWaalsContact C-N 3.32Å; I549-I555 HydrophobicContact CB-CD1 3.83Å; I549-I555 HydrophobicContact CD1-CD1 4.06Å; I549-I555 HydrophobicContact CG1-CD1 4.46Å; I549-I555 HydrophobicContact CG2-CD1 4.09Å
550	N	85.9	Confident	90.2	Very high	46 Å²	46	48 Å²	48	25%	0.246	24%	0.237	C	C	.	.			trans	-125.3	124.4	177.8	-167.8	-24.8	0	0	0	109.9	D546 F552 E553 I555	D546-N550 PolarHBondContact O-N 3.38Å; D546-N550 VanDerWaalsContact O-O 3.05Å; N550-F552 PolarHBondContact OD1-N 2.96Å; N550-E553 PolarHBondContact OD1-N 3.49Å; N550-E553 VanDerWaalsContact OD1-N 3.08Å; N550-I555 HydrophobicContact CB-CG1 4.31Å
551	K	85.5	Confident	89.8	Confident	72 Å²	72	46.6 Å²	46.6	31%	0.313	23%	0.233	S	C	.	.	S	Bend	trans	-88.6	-17.6	-174.1	-64.7	177.3	-175.4	173.9	0	113.8	F512 F514	F512-K551 HydrophobicContact CE1-CB 4.25Å; F514-K551 WeakPolarHBondContact CE1-O 3.38Å; F514-K551 WeakPolarHBondContact CZ-O 3.46Å
552	F	82.6	Confident	88.8	Confident	157 Å²	157	48.1 Å²	48.1	69%	0.689	26%	0.259	S	S	*	.	S	Bend	trans	-122.1	-31.4	-168.3	-58.4	-68.2	0	0	0	112.6	N550	N550-F552 PolarHBondContact OD1-N 2.96Å
553	E	86.9	Confident	88.1	Confident	138 Å²	138	55 Å²	55	65%	0.645	29%	0.289	S	S	*	.	S	Bend	trans	-121.4	153	-177.8	-63.8	-178.4	168.7	0	0	112.4	N550	N550-E553 PolarHBondContact OD1-N 3.49Å; N550-E553 VanDerWaalsContact OD1-N 3.08Å
554	G	87.1	Confident	87.4	Confident	21 Å²	21	63.4 Å²	63.4	22%	0.216	33%	0.325	C	S	.	.			trans	-72.2	135.4	176.8	0	0	0	0	0	111.2	F545 C556	F545-G554 VanDerWaalsContact CD1-CA 3.43Å; G554-C556 VanDerWaalsContact C-N 3.31Å
555	I	90.8	Very high	87.1	Confident	11 Å²	11	64 Å²	64	6%	0.056	33%	0.328	C	S	.	.	S	Bend	trans	-73.2	-30	-178.7	-62.8	179.2	0	0	0	111.6	Q250 E251 G252 V544 D546 I549 N550 L597	Q250-I555 WeakPolarHBondContact O-CG2 3.27Å; E251-I555 WeakPolarHBondContact CA-O 3.44Å; G252-I555 PolarHBondContact N-O 3.28Å; V544-I555 PolarHBondContact O-N 2.9Å; D546-I555 HydrophobicContact CB-CD1 3.33Å; I549-I555 HydrophobicContact CB-CD1 3.83Å; I549-I555 HydrophobicContact CD1-CD1 4.06Å; I549-I555 HydrophobicContact CG1-CD1 4.46Å; I549-I555 HydrophobicContact CG2-CD1 4.09Å; N550-I555 HydrophobicContact CB-CG1 4.31Å; I555-L597 HydrophobicContact CB-CD2 4.05Å; I555-L597 HydrophobicContact CG2-CD2 3.61Å
556	C	91.9	Very high	87	Confident	4 Å²	4	69.5 Å²	69.5	3%	0.027	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	131.5	171.9	171.2	0	0	0	0	108.8	G252 H543 V544 G554 L597	G252-C556 VanDerWaalsContact O-CB 3.31Å; G252-C556 WeakPolarHBondContact O-CB 3.48Å; G252-C556 PolarHBondContact O-SG 3.48Å; H543-C556 CarbonylContact C-O 3.57Å; H543-C556 VanDerWaalsContact CA-O 3.3Å; H543-C556 WeakPolarHBondContact CA-O 3.19Å; V544-C556 HydrophobicContact CB-CB 4.23Å; V544-C556 PolarHBondContact N-O 3.34Å; V544-C556 PolarHBondContact O-N 2.94Å; G554-C556 VanDerWaalsContact C-N 3.31Å; C556-L597 HydrophobicContact CB-CD1 4.02Å; C556-L597 HydrophobicContact CB-CD2 3.75Å; C556-L597 HydrophobicContact CB-CG 4.49Å
557	H	92.1	Very high	87	Confident	126 Å²	126	69.6 Å²	69.6	58%	0.583	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.2	104.5	167.7	57.9	-84.6	0	0	0	107.9
558	Q	93.3	Very high	87.2	Confident	59 Å²	59	70.3 Å²	70.3	28%	0.276	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	135.7	-173.1	-170.4	173	1.6	0	0	111.4	L254 K541 V542 V560	L254-Q558 VanDerWaalsContact CA-OE1 3.32Å; L254-Q558 HydrophobicContact CD1-CB 4.5Å; L254-Q558 PolarHBondContact O-NE2 2.92Å; L254-Q558 PolarHBondContact O-OE1 2.84Å; L254-Q558 VanDerWaalsContact O-OE1 3.12Å; K541-Q558 WeakPolarHBondContact CA-O 3.28Å; V542-Q558 PolarHBondContact N-O 2.94Å; V542-Q558 PolarHBondContact O-N 2.81Å; V542-Q558 VanDerWaalsContact O-N 3.09Å; Q558-V560 PolarHBondContact O-N 2.89Å
559	I	92.6	Very high	87.7	Confident	91 Å²	91	69.1 Å²	69.1	47%	0.467	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	114.7	169.8	-59.4	173	0	0	0	107.4	R540 K541	R540-I559 HydrophobicContact CB-CG2 4.16Å; R540-I559 WeakPolarHBondContact O-CA 3.23Å; K541-I559 HydrophobicContact CG-CG1 3.81Å
560	V	87.5	Confident	88.2	Confident	31 Å²	31	66.5 Å²	66.5	19%	0.188	33%	0.328	C	S	.	.			trans	-89.9	-32.7	-174.6	172.3	0	0	0	0	112	L254 R540 V542 Q558 T589 L591	L254-V560 HydrophobicContact CD1-CG2 4.45Å; R540-V560 PolarHBondContact O-N 2.93Å; R540-V560 VanDerWaalsContact O-N 3.14Å; V542-V560 HydrophobicContact CB-CG2 4.03Å; V542-V560 HydrophobicContact CG2-CB 4.32Å; V542-V560 HydrophobicContact CG2-CG2 3.47Å; V542-V560 VanDerWaalsContact CG2-CG2 3.47Å; Q558-V560 PolarHBondContact O-N 2.89Å; V560-T589 HydrophobicContact CG1-CG2 4.27Å; V560-L591 HydrophobicContact CB-CD1 4.34Å; V560-L591 HydrophobicContact CG1-CD1 3.83Å; V560-L591 HydrophobicContact CG1-CD2 3.59Å; V560-L591 HydrophobicContact CG1-CG 4.27Å; V560-L591 HydrophobicContact CG2-CD1 3.58Å; V560-L591 HydrophobicContact CG2-CD2 4.43Å
561	V	82.8	Confident	88.7	Confident	18 Å²	18	65.8 Å²	65.8	11%	0.109	32%	0.324	C	S	.	.			trans	-115.8	120.1	-175	-176.8	0	0	0	0	110.2	I565 L567	V561-I565 HydrophobicContact CG1-CB 3.95Å; V561-I565 HydrophobicContact CG1-CD1 3.83Å; V561-I565 HydrophobicContact CG1-CG1 4.27Å; V561-I565 HydrophobicContact CG1-CG2 4.42Å; V561-L567 HydrophobicContact CG2-CD2 3.8Å
562	A	72.6	Confident	89.2	Confident	101 Å²	101	62.7 Å²	62.7	84%	0.835	31%	0.31	S	S	*	.	S	Bend	trans	-67.9	-35.7	-177.1	0	0	0	0	0	113.3	R540	R540-A562 PolarHBondContact NH1-O 3.38Å
563	K	80.1	Confident	89.8	Confident	144 Å²	144	55.2 Å²	55.2	63%	0.626	28%	0.278	S	S	*	.	S	Bend	trans	-74.6	156.6	178.7	-67.8	179.8	-178.2	172.9	0	110.8	R540 I565	R540-K563 WeakPolarHBondContact CD-O 3.44Å; R540-K563 PolarHBondContact NH1-O 3.37Å; K563-I565 HydrophobicContact CB-CD1 3.81Å; K563-I565 HydrophobicContact CB-CG1 3.88Å; K563-I565 HydrophobicContact CD-CD1 4.42Å; K563-I565 PolarHBondContact O-N 2.67Å
564	K	81.3	Confident	90.1	Very high	195 Å²	195	50.8 Å²	50.8	85%	0.848	26%	0.26	S	S	*	.	S	Bend	trans	-70.9	82.9	168.8	-80.4	-172.9	176.1	-176.7	0	109.4
565	I	89	Confident	90.2	Very high	14 Å²	14	54.3 Å²	54.3	7%	0.072	27%	0.274	C	S	.	.			trans	-123.8	147.6	178.3	-69	178.6	0	0	0	106	R540 V561 K563 D583 D584	R540-I565 VanDerWaalsContact CD-O 3.27Å; R540-I565 WeakPolarHBondContact CD-O 3.44Å; R540-I565 WeakPolarHBondContact CG-O 3.19Å; V561-I565 HydrophobicContact CG1-CB 3.95Å; V561-I565 HydrophobicContact CG1-CD1 3.83Å; V561-I565 HydrophobicContact CG1-CG1 4.27Å; V561-I565 HydrophobicContact CG1-CG2 4.42Å; K563-I565 HydrophobicContact CB-CD1 3.81Å; K563-I565 HydrophobicContact CB-CG1 3.88Å; K563-I565 HydrophobicContact CD-CD1 4.42Å; K563-I565 PolarHBondContact O-N 2.67Å; I565-D583 HydrophobicContact CG2-CB 3.54Å; I565-D583 WeakPolarHBondContact CG2-OD2 3.33Å; I565-D584 WeakPolarHBondContact CG2-OD1 3.39Å
566	R	90.9	Very high	90.3	Very high	120 Å²	120	55.6 Å²	55.6	45%	0.453	28%	0.279	S	S	.	.			trans	-97.3	136.4	176.9	-60.5	178.3	-62.2	157.9	6.8	109.4	I538 D583 D584	I538-R566 HydrophobicContact CG2-CB 3.99Å; I538-R566 HydrophobicContact CG2-CG 3.63Å; R566-D583 CarbonylContact O-C 3.39Å; R566-D583 WeakPolarHBondContact O-CA 3.49Å; R566-D584 HydrophobicContact CB-CB 4.22Å; R566-D584 WeakPolarHBondContact CB-OD2 3.39Å; R566-D584 IonicContact CZ-OD2 2.9Å; R566-D584 PolarHBondContact N-OD1 2.61Å; R566-D584 IonicContact NE-OD2 2.73Å; R566-D584 PolarHBondContact NE-OD2 3.28Å; R566-D584 IonicContact NH2-OD2 3.21Å; R566-D584 PolarHBondContact NH2-OD2 2.92Å; R566-D584 PolarHBondContact O-N 3.46Å
567	L	93.6	Very high	90.3	Very high	4 Å²	4	57 Å²	57	2%	0.021	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	141.4	172.6	-57.5	177	0	0	0	109.2	V536 R540 V542 V561 V581 G582 D583	V536-L567 HydrophobicContact CG1-CB 3.15Å; V536-L567 HydrophobicContact CG1-CD1 3.98Å; V536-L567 HydrophobicContact CG1-CG 4.21Å; R540-L567 VanDerWaalsContact C-CD1 3.47Å; V542-L567 HydrophobicContact CG2-CD1 4.1Å; V561-L567 HydrophobicContact CG2-CD2 3.8Å; L567-V581 HydrophobicContact CB-CG1 4.23Å; L567-V581 HydrophobicContact CD1-CG1 4.04Å; L567-V581 HydrophobicContact CD2-CG1 3.85Å; L567-V581 HydrophobicContact CG-CG1 4.25Å; L567-G582 WeakPolarHBondContact CA-O 3.32Å; L567-D583 HydrophobicContact CD2-CB 4.24Å
568	T	93.6	Very high	90.4	Very high	16 Å²	16	51 Å²	51	10%	0.098	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	-58.9	-172.4	55.6	0	0	0	0	111.7	V270 Y290 G521 D522 G582	V270-T568 VanDerWaalsContact O-CB 3.29Å; V270-T568 WeakPolarHBondContact O-CB 3.48Å; V270-T568 PolarHBondContact O-OG1 2.92Å; Y290-T568 HydrophobicContact CE2-CG2 4.16Å; G521-T568 CarbonylContact C-O 3.54Å; D522-T568 WeakPolarHBondContact CB-O 3.35Å; T568-G582 PolarHBondContact N-O 3.39Å; T568-G582 PolarHBondContact OG1-O 3.35Å
569	H	95.6	Very high	90.5	Very high	28 Å²	28	48.2 Å²	48.2	13%	0.13	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	154.7	-171.6	-74.2	-71.8	0	0	0	113.9	T271 L273 Y290 D522 V581 G582	T271-H569 VanDerWaalsContact C-NE2 3.31Å; T271-H569 PolarHBondContact O-CD2 3.16Å; T271-H569 PolarHBondContact O-CE1 2.95Å; T271-H569 PolarHBondContact O-NE2 3.02Å; L273-H569 HydrophobicContact CD1-CB 3.82Å; L273-H569 HydrophobicContact CG-CB 4.04Å; Y290-H569 PolarHBondContact OH-NE2 3.42Å; D522-H569 WeakPolarHBondContact OD2-CA 3.17Å; D522-H569 IonicContact OD2-CE1 4Å; D522-H569 IonicContact OD2-CG 3.85Å; D522-H569 IonicContact OD2-ND1 3.03Å; D522-H569 PolarHBondContact OD2-ND1 3.21Å; H569-V581 WeakPolarHBondContact O-CA 3.4Å; H569-G582 PolarHBondContact O-N 2.76Å
570	I	96.8	Very high	90.8	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	134.4	174.9	-172.7	163.2	0	0	0	112	D522 C524 A534 V536 V542 I579 I580 V581	D522-I570 HydrophobicContact CB-CG2 4.07Å; D522-I570 PolarHBondContact OD2-N 3.33Å; C524-I570 HydrophobicContact CB-CG2 4.22Å; A534-I570 HydrophobicContact CB-CD1 3.52Å; V536-I570 HydrophobicContact CB-CB 4.46Å; V536-I570 HydrophobicContact CB-CG2 4.42Å; V536-I570 HydrophobicContact CG2-CB 3.56Å; V536-I570 HydrophobicContact CG2-CD1 3.67Å; V536-I570 HydrophobicContact CG2-CG1 4.14Å; V536-I570 HydrophobicContact CG2-CG2 3.89Å; V542-I570 HydrophobicContact CG1-CD1 3.96Å; I570-I579 HydrophobicContact CD1-CD1 4.05Å; I570-I580 WeakPolarHBondContact CA-O 3.45Å; I570-V581 HydrophobicContact CD1-CG2 4.23Å; I570-V581 HydrophobicContact CG1-CG2 4.23Å
571	E	96.8	Very high	91.2	Very high	31 Å²	31	42.5 Å²	42.5	15%	0.145	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	130	178.3	-166.9	95.8	160.6	0	0	110	L273 W275 I579 I580	L273-E571 HydrophobicContact CB-CB 4.16Å; W275-E571 VanDerWaalsContact CD1-CG 3.42Å; W275-E571 HydrophobicContact CG-CG 4.46Å; E571-I579 WeakPolarHBondContact O-CA 3.28Å; E571-I580 HydrophobicContact CB-CD1 4.23Å; E571-I580 HydrophobicContact CB-CG1 3.92Å; E571-I580 PolarHBondContact N-O 3.37Å; E571-I580 WeakPolarHBondContact O-CG1 3.45Å; E571-I580 PolarHBondContact O-N 2.94Å
572	F	96.1	Very high	91.8	Very high	8 Å²	8	41.7 Å²	41.7	4%	0.035	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	140.7	172	-80.8	-94.9	0	0	0	110.9	C524 A526 P527 Y528 A534 I579 L593	C524-F572 HydrophobicContact CB-CD2 4.05Å; C524-F572 HydrophobicContact CB-CE2 4.44Å; C524-F572 WeakPolarHBondContact O-CE2 3.37Å; A526-F572 HydrophobicContact CB-CD1 4.31Å; A526-F572 HydrophobicContact CB-CE1 4.11Å; A526-F572 HydrophobicContact CB-CZ 4.29Å; P527-F572 VanDerWaalsContact CD-CB 3.42Å; P527-F572 HydrophobicContact CG-CB 4.09Å; Y528-F572 HydrophobicContact CE1-CD1 4.39Å; A534-F572 HydrophobicContact CB-CE2 3.52Å; A534-F572 HydrophobicContact CB-CZ 3.58Å; F572-I579 HydrophobicContact CD1-CG2 3.35Å; F572-I579 HydrophobicContact CD2-CG2 4.19Å; F572-I579 HydrophobicContact CE1-CG2 3.43Å; F572-I579 VanDerWaalsContact CE1-CG2 3.43Å; F572-I579 HydrophobicContact CE2-CG2 4.25Å; F572-I579 HydrophobicContact CG-CG2 3.76Å; F572-I579 HydrophobicContact CZ-CG2 3.9Å; F572-L593 HydrophobicContact CD1-CD1 4.23Å; F572-L593 HydrophobicContact CE1-CD1 3.75Å
573	N	95.4	Very high	92.8	Very high	0 Å²	0	37 Å²	37	0%	0	17%	0.173	C	C	.	.			trans	-69	135.4	167.7	-177.2	-65.1	0	0	0	110	W275 Q280 P527 I575 H576 I578	W275-N573 HydrophobicContact CD2-CB 4.42Å; W275-N573 WeakPolarHBondContact CH2-ND2 3.15Å; W275-N573 HydrophobicContact CZ2-CB 4.05Å; W275-N573 WeakPolarHBondContact CZ3-ND2 3.29Å; Q280-N573 PolarHBondContact O-ND2 2.9Å; P527-N573 VanDerWaalsContact CG-O 3.25Å; P527-N573 WeakPolarHBondContact CG-O 3.48Å; N573-I575 PolarHBondContact O-N 3.33Å; N573-I575 VanDerWaalsContact O-N 3.14Å; N573-I575 PolarHBondContact OD1-N 3.43Å; N573-H576 WeakPolarHBondContact CB-O 3.35Å; N573-H576 PolarHBondContact OD1-N 2.86Å; N573-I578 HydrophobicContact CB-CD1 4.1Å; N573-I578 HydrophobicContact CB-CG1 3.42Å; N573-I578 VanDerWaalsContact CB-CG1 3.42Å; N573-I578 PolarHBondContact N-O 2.85Å
574	P	91.4	Very high	93.4	Very high	44 Å²	44	31.8 Å²	31.8	29%	0.286	15%	0.152	S	C	.	.	S	Bend	trans	-57.1	-28.7	-177.3	-28.9	35.8	0	0	0	115.3	W275	W275-P574 HydrophobicContact CB-CG 4.08Å
575	I	90.3	Very high	93.9	Very high	96 Å²	96	28.1 Å²	28.1	49%	0.492	13%	0.133	S	C	.	.	S	Bend	trans	-126.5	-46	-168.9	-69.3	173.3	0	0	0	111.9	Q280 N573	Q280-I575 VanDerWaalsContact CD-CD1 3.42Å; Q280-I575 HydrophobicContact CG-CD1 3.83Å; N573-I575 PolarHBondContact O-N 3.33Å; N573-I575 VanDerWaalsContact O-N 3.14Å; N573-I575 PolarHBondContact OD1-N 3.43Å
576	H	92	Very high	94	Very high	37 Å²	37	27.7 Å²	27.7	17%	0.171	13%	0.131	C	C	.	.	S	Bend	trans	-85.7	146.2	-178.8	-63.1	-48.2	0	0	0	111.1	F237 Q280 N573 I578	F237-H576 HydrophobicContact CE2-CB 3.97Å; F237-H576 HydrophobicContact CZ-CB 3.99Å; F237-H576 AromaticContact CZ-CD2 3.61Å; F237-H576 AromaticContact CZ-CG 3.68Å; Q280-H576 PolarHBondContact OE1-NE2 3.36Å; N573-H576 WeakPolarHBondContact CB-O 3.35Å; N573-H576 PolarHBondContact OD1-N 2.86Å; H576-I578 HydrophobicContact CB-CG1 4.28Å; H576-I578 PolarHBondContact O-N 3.22Å
577	P	91.9	Very high	94.2	Very high	34 Å²	34	22.6 Å²	22.6	22%	0.221	11%	0.113	C	C	.	.	S	Bend	trans	-78.7	54.1	-179.2	34.6	-37.1	0	0	0	111.5	L593	P577-L593 PolarHBondContact O-N 3.45Å
578	I	95.2	Very high	94.3	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.005	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	152.1	175.5	67.2	173	0	0	0	109.8	F237 L257 W275 L305 N573 H576 L591 K592	F237-I578 HydrophobicContact CD2-CG2 3.69Å; F237-I578 HydrophobicContact CE2-CD1 3.93Å; F237-I578 HydrophobicContact CE2-CG1 4.45Å; F237-I578 HydrophobicContact CE2-CG2 3.56Å; L257-I578 HydrophobicContact CD1-CG2 4.11Å; W275-I578 HydrophobicContact CH2-CD1 4.05Å; W275-I578 HydrophobicContact CZ2-CD1 4.08Å; L305-I578 HydrophobicContact CD1-CD1 4.04Å; N573-I578 HydrophobicContact CB-CD1 4.1Å; N573-I578 HydrophobicContact CB-CG1 3.42Å; N573-I578 VanDerWaalsContact CB-CG1 3.42Å; N573-I578 PolarHBondContact N-O 2.85Å; H576-I578 HydrophobicContact CB-CG1 4.28Å; H576-I578 PolarHBondContact O-N 3.22Å; I578-L591 CarbonylContact C-O 3.51Å; I578-L591 VanDerWaalsContact CA-O 3.23Å; I578-L591 WeakPolarHBondContact CA-O 3.22Å; I578-K592 HydrophobicContact CG2-CB 4.32Å
579	I	95.9	Very high	94.4	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	148.7	170.2	58.4	177.4	0	0	0	108.3	L254 V542 I570 E571 F572 S590 L591 L593	L254-I579 HydrophobicContact CD1-CD1 4.28Å; L254-I579 HydrophobicContact CD2-CD1 4.17Å; V542-I579 HydrophobicContact CG1-CD1 3.94Å; I570-I579 HydrophobicContact CD1-CD1 4.05Å; E571-I579 WeakPolarHBondContact O-CA 3.28Å; F572-I579 HydrophobicContact CD1-CG2 3.35Å; F572-I579 HydrophobicContact CD2-CG2 4.19Å; F572-I579 HydrophobicContact CE1-CG2 3.43Å; F572-I579 VanDerWaalsContact CE1-CG2 3.43Å; F572-I579 HydrophobicContact CE2-CG2 4.25Å; F572-I579 HydrophobicContact CG-CG2 3.76Å; F572-I579 HydrophobicContact CZ-CG2 3.9Å; I579-S590 WeakPolarHBondContact O-CA 3.47Å; I579-L591 HydrophobicContact CD1-CB 4.28Å; I579-L591 HydrophobicContact CD1-CD1 4.03Å; I579-L591 HydrophobicContact CG1-CB 3.77Å; I579-L591 HydrophobicContact CG1-CD1 4.19Å; I579-L591 HydrophobicContact CG1-CG 4.37Å; I579-L591 PolarHBondContact N-O 3.18Å; I579-L591 PolarHBondContact O-N 2.81Å; I579-L593 HydrophobicContact CD1-CD2 4.32Å; I579-L593 HydrophobicContact CG2-CD1 4.3Å; I579-L593 HydrophobicContact CG2-CD2 4.36Å; I579-L593 HydrophobicContact CG2-CG 4.49Å
580	I	97.1	Very high	94.4	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	139.3	169.7	51.3	170.5	0	0	0	108.9	L273 W275 F283 I570 E571 V588 T589	L273-I580 HydrophobicContact CB-CD1 4.35Å; L273-I580 HydrophobicContact CD1-CD1 4.29Å; L273-I580 HydrophobicContact CD1-CG1 4.27Å; L273-I580 HydrophobicContact CD2-CD1 4.33Å; W275-I580 HydrophobicContact CD2-CD1 4.47Å; W275-I580 HydrophobicContact CH2-CG2 4.36Å; W275-I580 HydrophobicContact CZ2-CB 4.43Å; W275-I580 HydrophobicContact CZ2-CD1 3.9Å; W275-I580 HydrophobicContact CZ2-CG1 4.05Å; W275-I580 HydrophobicContact CZ2-CG2 3.6Å; F283-I580 HydrophobicContact CB-CD1 4.22Å; F283-I580 HydrophobicContact CD2-CD1 3.75Å; F283-I580 HydrophobicContact CE2-CD1 4.24Å; F283-I580 HydrophobicContact CG-CD1 3.98Å; I570-I580 WeakPolarHBondContact CA-O 3.45Å; E571-I580 HydrophobicContact CB-CD1 4.23Å; E571-I580 HydrophobicContact CB-CG1 3.92Å; E571-I580 PolarHBondContact N-O 3.37Å; E571-I580 WeakPolarHBondContact O-CG1 3.45Å; E571-I580 PolarHBondContact O-N 2.94Å; I580-V588 HydrophobicContact CB-CG1 3.82Å; I580-V588 HydrophobicContact CG2-CG1 4.24Å; I580-T589 WeakPolarHBondContact CA-O 3.17Å
581	V	97	Very high	94.4	Very high	2 Å²	2	21.2 Å²	21.2	1%	0.012	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	126	-177.8	-175.7	0	0	0	0	109	V536 V542 L567 H569 I570 V588 T589 L591	V536-V581 HydrophobicContact CG2-CG1 4.11Å; V542-V581 HydrophobicContact CG2-CG1 4.43Å; V542-V581 HydrophobicContact CG2-CG2 4Å; L567-V581 HydrophobicContact CB-CG1 4.23Å; L567-V581 HydrophobicContact CD1-CG1 4.04Å; L567-V581 HydrophobicContact CD2-CG1 3.85Å; L567-V581 HydrophobicContact CG-CG1 4.25Å; H569-V581 WeakPolarHBondContact O-CA 3.4Å; I570-V581 HydrophobicContact CD1-CG2 4.23Å; I570-V581 HydrophobicContact CG1-CG2 4.23Å; V581-V588 CarbonylContact O-C 3.57Å; V581-V588 WeakPolarHBondContact O-CA 3.38Å; V581-T589 PolarHBondContact N-O 2.96Å; V581-T589 PolarHBondContact O-N 3.48Å; V581-L591 HydrophobicContact CG2-CD1 3.86Å
582	G	95.8	Very high	94.4	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	150	177.3	0	0	0	0	0	112.3	L567 T568 H569	L567-G582 WeakPolarHBondContact CA-O 3.32Å; T568-G582 PolarHBondContact N-O 3.39Å; T568-G582 PolarHBondContact OG1-O 3.35Å; H569-G582 PolarHBondContact O-N 2.76Å
583	D	93.8	Very high	94.3	Very high	4 Å²	4	19.7 Å²	19.7	2%	0.021	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	172.5	178.4	84.8	-0.1	0	0	0	114	V270 I565 R566 L567 R585 A586 T587	V270-D583 WeakPolarHBondContact CB-O 3.46Å; V270-D583 WeakPolarHBondContact CG2-O 3.48Å; V270-D583 PolarHBondContact N-O 3Å; I565-D583 HydrophobicContact CG2-CB 3.54Å; I565-D583 WeakPolarHBondContact CG2-OD2 3.33Å; R566-D583 CarbonylContact O-C 3.39Å; R566-D583 WeakPolarHBondContact O-CA 3.49Å; L567-D583 HydrophobicContact CD2-CB 4.24Å; D583-R585 PolarHBondContact O-N 3.46Å; D583-R585 VanDerWaalsContact OD1-C 3.22Å; D583-R585 WeakPolarHBondContact OD1-CA 3.48Å; D583-R585 PolarHBondContact OD1-N 3.13Å; D583-A586 PolarHBondContact OD1-N 2.79Å; D583-T587 VanDerWaalsContact CG-CB 3.47Å; D583-T587 PolarHBondContact N-O 3.44Å; D583-T587 WeakPolarHBondContact OD1-CA 2.85Å; D583-T587 WeakPolarHBondContact OD1-CB 3.46Å; D583-T587 PolarHBondContact OD1-N 2.87Å; D583-T587 PolarHBondContact OD1-OG1 2.89Å; D583-T587 WeakPolarHBondContact OD2-CB 3.39Å; D583-T587 PolarHBondContact OD2-OG1 3.47Å
584	D	91.9	Very high	94.1	Very high	33 Å²	33	20.1 Å²	20.1	18%	0.176	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	15.6	178	74.2	-16.2	0	0	0	114.9	S269 I565 R566	S269-D584 PolarHBondContact OG-O 3.38Å; I565-D584 WeakPolarHBondContact CG2-OD1 3.39Å; R566-D584 HydrophobicContact CB-CB 4.22Å; R566-D584 WeakPolarHBondContact CB-OD2 3.39Å; R566-D584 IonicContact CZ-OD2 2.9Å; R566-D584 PolarHBondContact N-OD1 2.61Å; R566-D584 IonicContact NE-OD2 2.73Å; R566-D584 PolarHBondContact NE-OD2 3.28Å; R566-D584 IonicContact NH2-OD2 3.21Å; R566-D584 PolarHBondContact NH2-OD2 2.92Å; R566-D584 PolarHBondContact O-N 3.46Å
585	R	91.1	Very high	94.1	Very high	119 Å²	119	19.6 Å²	19.6	45%	0.449	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	-130	27.5	176.5	-64.4	-168.4	177.6	-134.6	1.1	112.9	Q261 L268 D583 T587	Q261-R585 PolarHBondContact NE2-O 3.01Å; L268-R585 CarbonylContact O-C 3.56Å; L268-R585 VanDerWaalsContact O-C 3.29Å; L268-R585 WeakPolarHBondContact O-CA 3.44Å; D583-R585 PolarHBondContact O-N 3.46Å; D583-R585 VanDerWaalsContact OD1-C 3.22Å; D583-R585 WeakPolarHBondContact OD1-CA 3.48Å; D583-R585 PolarHBondContact OD1-N 3.13Å; R585-T587 PolarHBondContact O-N 3.19Å; R585-T587 PolarHBondContact O-OG1 2.83Å
586	A	92.7	Very high	93.9	Very high	4 Å²	4	15.1 Å²	15.1	3%	0.033	8%	0.076	C	C	.	.	S	Bend	trans	56.2	32.6	179.5	0	0	0	0	0	113.5	A265 L268 L287 D583	A265-A586 HydrophobicContact CB-CB 4.08Å; A265-A586 WeakPolarHBondContact O-CB 3.23Å; L268-A586 HydrophobicContact CB-CB 4.48Å; L268-A586 WeakPolarHBondContact O-CB 3.37Å; L268-A586 PolarHBondContact O-N 2.8Å; L287-A586 HydrophobicContact CD1-CB 4.14Å; L287-A586 HydrophobicContact CD2-CB 3.63Å; D583-A586 PolarHBondContact OD1-N 2.79Å
587	T	94	Very high	93.6	Very high	13 Å²	13	13.4 Å²	13.4	8%	0.08	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	134.5	174.7	-39	0	0	0	0	108.8	T259 F260 Q261 D583 R585	T259-T587 HydrophobicContact CG2-CG2 3.23Å; F260-T587 WeakPolarHBondContact O-CA 3.39Å; Q261-T587 HydrophobicContact CB-CG2 4.29Å; Q261-T587 PolarHBondContact NE2-OG1 3.42Å; D583-T587 VanDerWaalsContact CG-CB 3.47Å; D583-T587 PolarHBondContact N-O 3.44Å; D583-T587 WeakPolarHBondContact OD1-CA 2.85Å; D583-T587 WeakPolarHBondContact OD1-CB 3.46Å; D583-T587 PolarHBondContact OD1-N 2.87Å; D583-T587 PolarHBondContact OD1-OG1 2.89Å; D583-T587 WeakPolarHBondContact OD2-CB 3.39Å; D583-T587 PolarHBondContact OD2-OG1 3.47Å; R585-T587 PolarHBondContact O-N 3.19Å; R585-T587 PolarHBondContact O-OG1 2.83Å
588	V	96.3	Very high	93.3	Very high	1 Å²	1	14.7 Å²	14.7	1%	0.006	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	124.6	170.3	-178	0	0	0	0	108.2	T259 F260 V270 L273 F283 V285 I580 V581	T259-V588 CarbonylContact C-O 3.45Å; T259-V588 WeakPolarHBondContact CA-O 3.22Å; F260-V588 HydrophobicContact CB-CB 4.28Å; F260-V588 HydrophobicContact CD2-CB 4.49Å; F260-V588 WeakPolarHBondContact CD2-O 3.34Å; F260-V588 PolarHBondContact N-O 3.36Å; F260-V588 PolarHBondContact O-N 3.23Å; V270-V588 HydrophobicContact CG1-CG2 4.5Å; V270-V588 HydrophobicContact CG2-CG2 3.98Å; L273-V588 HydrophobicContact CD2-CG1 4.35Å; L273-V588 HydrophobicContact CD2-CG2 3.89Å; F283-V588 HydrophobicContact CE2-CB 4.42Å; F283-V588 HydrophobicContact CE2-CG1 4.02Å; F283-V588 HydrophobicContact CZ-CG1 4.41Å; V285-V588 HydrophobicContact CG1-CG2 3.94Å; V285-V588 HydrophobicContact CG2-CG2 3.91Å; I580-V588 HydrophobicContact CB-CG1 3.82Å; I580-V588 HydrophobicContact CG2-CG1 4.24Å; V581-V588 CarbonylContact O-C 3.57Å; V581-V588 WeakPolarHBondContact O-CA 3.38Å
589	T	95.7	Very high	92.2	Very high	16 Å²	16	19.1 Å²	19.1	10%	0.098	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	129.2	177	-51.8	0	0	0	0	109.3	V560 I580 V581 L591	V560-T589 HydrophobicContact CG1-CG2 4.27Å; I580-T589 WeakPolarHBondContact CA-O 3.17Å; V581-T589 PolarHBondContact N-O 2.96Å; V581-T589 PolarHBondContact O-N 3.48Å; T589-L591 HydrophobicContact CG2-CD2 3.78Å
590	S	96.1	Very high	90.9	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	133.5	172.4	-179.3	0	0	0	0	110.1	L257 W258 I579	L257-S590 PolarHBondContact N-O 3.27Å; W258-S590 PolarHBondContact O-N 3.04Å; I579-S590 WeakPolarHBondContact O-CA 3.47Å
591	L	96.1	Very high	89.2	Confident	2 Å²	2	31 Å²	31	1%	0.01	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	136.5	-179.3	-45.8	169.1	0	0	0	109.5	L254 L255 P256 V542 V560 I578 I579 V581 T589	L254-L591 HydrophobicContact CB-CB 4.28Å; L254-L591 HydrophobicContact CD1-CD1 4.04Å; L255-L591 CarbonylContact O-C 3.54Å; L255-L591 WeakPolarHBondContact O-CA 3.34Å; P256-L591 HydrophobicContact CB-CD2 3.96Å; V542-L591 HydrophobicContact CG2-CD1 4.2Å; V560-L591 HydrophobicContact CB-CD1 4.34Å; V560-L591 HydrophobicContact CG1-CD1 3.83Å; V560-L591 HydrophobicContact CG1-CD2 3.59Å; V560-L591 HydrophobicContact CG1-CG 4.27Å; V560-L591 HydrophobicContact CG2-CD1 3.58Å; V560-L591 HydrophobicContact CG2-CD2 4.43Å; I578-L591 CarbonylContact C-O 3.51Å; I578-L591 VanDerWaalsContact CA-O 3.23Å; I578-L591 WeakPolarHBondContact CA-O 3.22Å; I579-L591 HydrophobicContact CD1-CB 4.28Å; I579-L591 HydrophobicContact CD1-CD1 4.03Å; I579-L591 HydrophobicContact CG1-CB 3.77Å; I579-L591 HydrophobicContact CG1-CD1 4.19Å; I579-L591 HydrophobicContact CG1-CG 4.37Å; I579-L591 PolarHBondContact N-O 3.18Å; I579-L591 PolarHBondContact O-N 2.81Å; V581-L591 HydrophobicContact CG2-CD1 3.86Å; T589-L591 HydrophobicContact CG2-CD2 3.78Å
592	K	95.8	Very high	87.3	Confident	7 Å²	7	40.7 Å²	40.7	3%	0.03	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	135	173.7	-179.2	169.3	175.9	171.9	0	110.7	D236 F237 F240 E241 L254 L255 L257 I578	D236-K592 PolarHBondContact O-NZ 3.07Å; F237-K592 PolarHBondContact O-NZ 3.25Å; F240-K592 VanDerWaalsContact O-CE 3.26Å; F240-K592 WeakPolarHBondContact O-CE 3.48Å; F240-K592 PolarHBondContact O-NZ 2.7Å; E241-K592 IonicContact OE1-NZ 3.56Å; L254-K592 WeakPolarHBondContact CA-O 3.45Å; L255-K592 HydrophobicContact CB-CB 4.29Å; L255-K592 PolarHBondContact N-O 3.13Å; L255-K592 PolarHBondContact O-N 3.37Å; L257-K592 HydrophobicContact CD1-CB 3.81Å; L257-K592 HydrophobicContact CG-CB 4.11Å; I578-K592 HydrophobicContact CG2-CB 4.32Å
593	L	94.3	Very high	85.2	Confident	1 Å²	1	44 Å²	44	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	128.9	178.2	-60.7	164.4	0	0	0	109.7	L254 Y528 V544 F572 P577 I579 L597 R598	L254-L593 HydrophobicContact CD2-CD2 3.54Å; Y528-L593 WeakPolarHBondContact OH-CD1 3.46Å; V544-L593 HydrophobicContact CG2-CD2 4.28Å; F572-L593 HydrophobicContact CD1-CD1 4.23Å; F572-L593 HydrophobicContact CE1-CD1 3.75Å; P577-L593 PolarHBondContact O-N 3.45Å; I579-L593 HydrophobicContact CD1-CD2 4.32Å; I579-L593 HydrophobicContact CG2-CD1 4.3Å; I579-L593 HydrophobicContact CG2-CD2 4.36Å; I579-L593 HydrophobicContact CG2-CG 4.49Å; L593-L597 HydrophobicContact CB-CB 4.23Å; L593-L597 HydrophobicContact CB-CD1 4.41Å; L593-L597 HydrophobicContact CD2-CB 4.39Å; L593-L597 HydrophobicContact CD2-CD1 3.88Å; L593-R598 PolarHBondContact O-NH1 3.33Å
594	S	93	Very high	83.4	Confident	9 Å²	9	52 Å²	52	6%	0.063	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-64	161.3	173.9	79.5	0	0	0	0	112.1	D245 G252 T253 N596 L597	D245-S594 WeakPolarHBondContact OD2-CB 3.44Å; D245-S594 PolarHBondContact OD2-OG 3.36Å; G252-S594 WeakPolarHBondContact CA-OG 3.37Å; T253-S594 PolarHBondContact N-OG 2.68Å; T253-S594 WeakPolarHBondContact O-CB 3.41Å; T253-S594 PolarHBondContact O-N 3.03Å; T253-S594 PolarHBondContact O-OG 3.27Å; S594-N596 PolarHBondContact O-N 3.24Å; S594-L597 PolarHBondContact O-N 3.39Å; S594-L597 VanDerWaalsContact O-N 3.14Å
595	P	89.6	Confident	81	Confident	32 Å²	32	61 Å²	61	21%	0.208	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-50.5	-38.4	178.6	-26.4	31.2	0	0	0	114.4	E241 D245 L597 R598 K599	E241-P595 HydrophobicContact CB-CG 4.39Å; E241-P595 WeakPolarHBondContact OE2-CG 3.37Å; D245-P595 HydrophobicContact CB-CG 4.48Å; D245-P595 VanDerWaalsContact OD2-CD 3.29Å; D245-P595 WeakPolarHBondContact OD2-CD 3.38Å; P595-L597 VanDerWaalsContact C-N 3.3Å; P595-L597 PolarHBondContact O-N 3.33Å; P595-R598 CarbonylContact O-C 3.48Å; P595-R598 WeakPolarHBondContact O-CG 3.46Å; P595-R598 PolarHBondContact O-N 3.36Å; P595-K599 WeakPolarHBondContact O-CG 3.34Å; P595-K599 PolarHBondContact O-N 2.77Å
596	N	87.4	Confident	79.3	Confident	2 Å²	2	59.5 Å²	59.5	1%	0.011	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-62.7	-35.9	-178.4	-72.4	-8.3	0	0	0	112.8	D245 E251 S594 R598 K599	D245-N596 HydrophobicContact CB-CB 4.49Å; D245-N596 WeakPolarHBondContact CB-ND2 3.49Å; D245-N596 VanDerWaalsContact CG-CG 3.48Å; D245-N596 PolarHBondContact O-ND2 2.74Å; D245-N596 PolarHBondContact O-OD1 3.39Å; D245-N596 VanDerWaalsContact OD2-CB 3.23Å; D245-N596 WeakPolarHBondContact OD2-CB 3.47Å; D245-N596 PolarHBondContact OD2-N 2.97Å; E251-N596 PolarHBondContact O-ND2 3.34Å; S594-N596 PolarHBondContact O-N 3.24Å; N596-R598 PolarHBondContact O-N 3.44Å; N596-K599 PolarHBondContact O-N 2.88Å; N596-K599 WeakPolarHBondContact OD1-CE 3.48Å; N596-K599 PolarHBondContact OD1-NZ 3.24Å
597	L	86.1	Confident	77.5	Confident	2 Å²	2	65.6 Å²	65.6	1%	0.01	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-74	-3.1	179.9	-58.4	-179.6	0	0	0	114	L254 I532 V544 I555 C556 L593 S594 P595	L254-L597 HydrophobicContact CD2-CD1 3.72Å; I532-L597 WeakPolarHBondContact CD1-O 3.43Å; V544-L597 HydrophobicContact CB-CD1 4.4Å; V544-L597 HydrophobicContact CB-CD2 4.21Å; V544-L597 HydrophobicContact CG1-CB 4.47Å; V544-L597 HydrophobicContact CG1-CD1 4.42Å; V544-L597 HydrophobicContact CG1-CD2 4.08Å; V544-L597 HydrophobicContact CG2-CD1 4.37Å; I555-L597 HydrophobicContact CB-CD2 4.05Å; I555-L597 HydrophobicContact CG2-CD2 3.61Å; C556-L597 HydrophobicContact CB-CD1 4.02Å; C556-L597 HydrophobicContact CB-CD2 3.75Å; C556-L597 HydrophobicContact CB-CG 4.49Å; L593-L597 HydrophobicContact CB-CB 4.23Å; L593-L597 HydrophobicContact CB-CD1 4.41Å; L593-L597 HydrophobicContact CD2-CB 4.39Å; L593-L597 HydrophobicContact CD2-CD1 3.88Å; S594-L597 PolarHBondContact O-N 3.39Å; S594-L597 VanDerWaalsContact O-N 3.14Å; P595-L597 VanDerWaalsContact C-N 3.3Å; P595-L597 PolarHBondContact O-N 3.33Å
598	R	83.8	Confident	75.5	Confident	60 Å²	60	74.2 Å²	74.2	23%	0.226	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-139.8	17.4	-179	65.9	-164.2	-164.2	-163.8	19.6	112.4	E241 L593 P595 N596 K600	E241-R598 IonicContact OE1-CZ 3.69Å; E241-R598 IonicContact OE1-NH1 2.98Å; E241-R598 IonicContact OE1-NH2 2.77Å; E241-R598 PolarHBondContact OE1-NH2 3.14Å; E241-R598 IonicContact OE2-CZ 3.75Å; E241-R598 IonicContact OE2-NH2 3.67Å; E241-R598 PolarHBondContact OE2-NH2 3.32Å; L593-R598 PolarHBondContact O-NH1 3.33Å; P595-R598 CarbonylContact O-C 3.48Å; P595-R598 WeakPolarHBondContact O-CG 3.46Å; P595-R598 PolarHBondContact O-N 3.36Å; N596-R598 PolarHBondContact O-N 3.44Å; R598-K600 PolarHBondContact O-N 3.34Å
599	K	72.9	Confident	73.7	Confident	95 Å²	95	78.3 Å²	78.3	41%	0.413	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-60.5	120.8	178.1	-96	175.5	176.5	165.3	0	109	P595 N596	P595-K599 WeakPolarHBondContact O-CG 3.34Å; P595-K599 PolarHBondContact O-N 2.77Å; N596-K599 PolarHBondContact O-N 2.88Å; N596-K599 WeakPolarHBondContact OD1-CE 3.48Å; N596-K599 PolarHBondContact OD1-NZ 3.24Å
600	K	68.2	Low	72	Confident	170 Å²	170	81.2 Å²	81.2	74%	0.739	42%	0.415	S	S	*	.	P	Polyproline II helix	trans	-79.3	142.5	166	-65.5	-175	179.2	-175.9	0	108.8	R598 K602	R598-K600 PolarHBondContact O-N 3.34Å; K600-K602 PolarHBondContact O-N 3.09Å
601	P	62.1	Low	70.3	Confident	80 Å²	80	91.1 Å²	91.1	52%	0.519	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-54.4	125.9	175.8	-21.1	30.4	0	0	0	110.2	S603	P601-S603 PolarHBondContact O-N 3.37Å
602	K	56.9	Low	69.2	Low	205 Å²	205	93.3 Å²	93.3	89%	0.891	48%	0.481	S	S	*	.	P	Polyproline II helix	trans	-66	129.1	177	-69.3	-176.5	179.3	178.5	0	109	K600	K600-K602 PolarHBondContact O-N 3.09Å
603	S	52.8	Low	68.5	Low	70 Å²	70	96.5 Å²	96.5	49%	0.49	51%	0.505	S	S	.	.	P	Polyproline II helix	trans	-69.8	146.5	174.1	56.1	0	0	0	0	110.9	P601	P601-S603 PolarHBondContact O-N 3.37Å
604	K	54	Low	68	Low	171 Å²	171	103.8 Å²	103.8	74%	0.743	54%	0.538	S	S	*	.	P	Polyproline II helix	trans	-68.7	138.4	162.4	-70.6	-177.6	179	179	0	107.9	G606 Q607	K604-G606 PolarHBondContact O-N 2.91Å; K604-G606 VanDerWaalsContact O-N 3.08Å; K604-Q607 PolarHBondContact O-N 3.46Å; K604-Q607 VanDerWaalsContact O-N 3.14Å
605	K	42.5	Very low	67.7	Low	221 Å²	221	104.1 Å²	104.1	96%	0.961	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.3	118.2	179.8	-80.8	-176.6	174.2	-179.9	0	110
606	G	55.2	Low	67.7	Low	89 Å²	89	104.3 Å²	104.3	92%	0.918	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	104.3	-5	177	0	0	0	0	0	116.5	K604	K604-G606 PolarHBondContact O-N 2.91Å; K604-G606 VanDerWaalsContact O-N 3.08Å
607	Q	55.4	Low	67.8	Low	132 Å²	132	105.8 Å²	105.8	62%	0.617	55%	0.549	S	S	*	.			trans	-101.5	113.7	176	-130.1	173.2	11.2	0	0	110.6	K604 L609	K604-Q607 PolarHBondContact O-N 3.46Å; K604-Q607 VanDerWaalsContact O-N 3.14Å; Q607-L609 PolarHBondContact O-N 3.43Å
608	E	51.7	Low	67.9	Low	193 Å²	193	109.6 Å²	109.6	90%	0.902	57%	0.569	S	S	*	*			trans	-69.4	112.4	164.8	-72.2	-168.9	157.8	0	0	108.1
609	L	58.6	Low	68.1	Low	87 Å²	87	108.4 Å²	108.4	46%	0.455	57%	0.566	S	S	.	*			trans	-67.5	136.8	170.9	-75.9	164.1	0	0	0	108.2	Q607 K611	Q607-L609 PolarHBondContact O-N 3.43Å; L609-K611 PolarHBondContact O-N 2.93Å; L609-K611 VanDerWaalsContact O-N 3.16Å
610	P	58.8	Low	68.9	Low	78 Å²	78	104 Å²	104	51%	0.506	55%	0.546	S	S	.	.			trans	-55.8	127.1	168.3	23.5	-30	0	0	0	107.7	A615	P610-A615 HydrophobicContact CB-CB 3.93Å; P610-A615 HydrophobicContact CG-CB 3.89Å; P610-A615 WeakPolarHBondContact O-CB 3.11Å
611	K	61.4	Low	69.9	Low	208 Å²	208	98.1 Å²	98.1	90%	0.904	52%	0.523	S	S	*	.			trans	-104.3	129.8	174.6	-69.2	178.5	-177.4	172.5	0	107.1	L609	L609-K611 PolarHBondContact O-N 2.93Å; L609-K611 VanDerWaalsContact O-N 3.16Å
612	G	73.1	Confident	71.1	Confident	48 Å²	48	102.6 Å²	102.6	50%	0.495	53%	0.529	S	S	.	.	S	Bend	trans	134.5	-179.1	177.7	0	0	0	0	0	112.7	E614 A615	G612-E614 VanDerWaalsContact C-N 3.28Å; G612-E614 PolarHBondContact O-N 3.22Å; G612-A615 WeakPolarHBondContact O-CB 3.47Å; G612-A615 PolarHBondContact O-N 3.02Å
613	S	80.5	Confident	72.6	Confident	74 Å²	74	93.3 Å²	93.3	52%	0.517	49%	0.49	S	S	.	.	H	α-helix	trans	-57.9	-39.4	178.8	47.6	0	0	0	0	112.4	A615 E616 V617	S613-A615 VanDerWaalsContact C-N 3.26Å; S613-A615 PolarHBondContact O-N 2.86Å; S613-E616 PolarHBondContact O-N 2.66Å; S613-E616 VanDerWaalsContact O-N 3.16Å; S613-V617 WeakPolarHBondContact O-CG2 3.37Å; S613-V617 PolarHBondContact O-N 3.23Å
614	E	84.8	Confident	74.1	Confident	153 Å²	153	90.1 Å²	90.1	72%	0.715	47%	0.467	S	S	*	.	H	α-helix	trans	-59.7	-35	178.8	-64.8	-178.8	177	0	0	113	G612 V617 L618	G612-E614 VanDerWaalsContact C-N 3.28Å; G612-E614 PolarHBondContact O-N 3.22Å; E614-V617 PolarHBondContact O-N 3.35Å; E614-L618 WeakPolarHBondContact O-CG 3.28Å; E614-L618 PolarHBondContact O-N 3.49Å
615	A	86.4	Confident	75.6	Confident	17 Å²	17	84.6 Å²	84.6	14%	0.14	45%	0.453	C	S	.	.	H	α-helix	trans	-67.5	-40.4	178.1	0	0	0	0	0	112	P610 G612 S613 V617 L618 K619	P610-A615 HydrophobicContact CB-CB 3.93Å; P610-A615 HydrophobicContact CG-CB 3.89Å; P610-A615 WeakPolarHBondContact O-CB 3.11Å; G612-A615 WeakPolarHBondContact O-CB 3.47Å; G612-A615 PolarHBondContact O-N 3.02Å; S613-A615 VanDerWaalsContact C-N 3.26Å; S613-A615 PolarHBondContact O-N 2.86Å; A615-V617 VanDerWaalsContact C-N 3.34Å; A615-L618 PolarHBondContact O-N 3.45Å; A615-K619 WeakPolarHBondContact O-CB 3.44Å; A615-K619 PolarHBondContact O-N 3.26Å
616	E	88.3	Confident	77.5	Confident	36 Å²	36	79 Å²	79	17%	0.168	43%	0.433	C	S	.	.	H	α-helix	trans	-70.2	-32.8	176.3	-66.9	-61.1	128.6	0	0	111.4	F486 S529 S530 S613 K619 M620	F486-E616 HydrophobicContact CB-CB 4.18Å; F486-E616 HydrophobicContact CD1-CB 4.12Å; F486-E616 HydrophobicContact CD1-CG 4.45Å; F486-E616 HydrophobicContact CD2-CB 4.43Å; F486-E616 HydrophobicContact CG-CB 3.98Å; S529-E616 VanDerWaalsContact CA-OE2 3.25Å; S529-E616 WeakPolarHBondContact CA-OE2 3.16Å; S529-E616 WeakPolarHBondContact CB-OE2 3.29Å; S529-E616 PolarHBondContact OG-OE2 3.5Å; S530-E616 WeakPolarHBondContact CB-O 3.5Å; S530-E616 PolarHBondContact N-OE2 3.46Å; S530-E616 PolarHBondContact OG-O 3.28Å; S613-E616 PolarHBondContact O-N 2.66Å; S613-E616 VanDerWaalsContact O-N 3.16Å; E616-K619 WeakPolarHBondContact O-CB 3.27Å; E616-K619 PolarHBondContact O-N 2.88Å; E616-M620 PolarHBondContact O-N 3.11Å; E616-M620 VanDerWaalsContact O-N 3.1Å
617	V	89.6	Confident	78.6	Confident	33 Å²	33	77.8 Å²	77.8	20%	0.2	41%	0.405	C	S	.	.	H	α-helix	trans	-62.6	-51.4	170.4	174	0	0	0	0	110.2	F486 S613 E614 A615 K619 M620 D621	F486-V617 HydrophobicContact CB-CG2 4.48Å; F486-V617 WeakPolarHBondContact O-CG2 3.35Å; S613-V617 WeakPolarHBondContact O-CG2 3.37Å; S613-V617 PolarHBondContact O-N 3.23Å; E614-V617 PolarHBondContact O-N 3.35Å; A615-V617 VanDerWaalsContact C-N 3.34Å; V617-K619 VanDerWaalsContact C-N 3.27Å; V617-K619 PolarHBondContact O-N 3.2Å; V617-M620 PolarHBondContact O-N 3.27Å; V617-M620 VanDerWaalsContact O-N 3.14Å; V617-D621 PolarHBondContact O-N 2.97Å
618	L	88.8	Confident	79.2	Confident	81 Å²	81	76.4 Å²	76.4	42%	0.424	40%	0.395	S	S	.	.	H	α-helix	trans	-60.9	-35.3	177.1	-72.1	172.5	0	0	0	112.7	E614 A615 D621 R622	E614-L618 WeakPolarHBondContact O-CG 3.28Å; E614-L618 PolarHBondContact O-N 3.49Å; A615-L618 PolarHBondContact O-N 3.45Å; L618-D621 PolarHBondContact O-N 3.32Å; L618-R622 WeakPolarHBondContact O-CB 3.45Å; L618-R622 VanDerWaalsContact O-CG 3.29Å; L618-R622 WeakPolarHBondContact O-CG 3.45Å; L618-R622 PolarHBondContact O-N 3.49Å
619	K	87.7	Confident	79	Confident	36 Å²	36	74.4 Å²	74.4	16%	0.157	39%	0.385	C	S	.	.	H	α-helix	trans	-60.4	-47.8	175.2	-172.6	-172	-177.6	-163.2	0	110.4	T531 D546 S548 A615 E616 V617 L623	T531-K619 HydrophobicContact CG2-CD 3.9Å; T531-K619 HydrophobicContact CG2-CG 4.05Å; T531-K619 WeakPolarHBondContact OG1-CE 3.36Å; T531-K619 PolarHBondContact OG1-NZ 3.19Å; D546-K619 IonicContact OD1-NZ 2.8Å; S548-K619 VanDerWaalsContact CB-CE 3.43Å; S548-K619 VanDerWaalsContact OG-CE 3.24Å; S548-K619 WeakPolarHBondContact OG-CE 3.41Å; S548-K619 PolarHBondContact OG-NZ 3.09Å; S548-K619 VanDerWaalsContact OG-NZ 3.16Å; A615-K619 WeakPolarHBondContact O-CB 3.44Å; A615-K619 PolarHBondContact O-N 3.26Å; E616-K619 WeakPolarHBondContact O-CB 3.27Å; E616-K619 PolarHBondContact O-N 2.88Å; V617-K619 VanDerWaalsContact C-N 3.27Å; V617-K619 PolarHBondContact O-N 3.2Å; K619-L623 PolarHBondContact O-N 3.39Å
620	M	89.7	Confident	78.3	Confident	1 Å²	1	75.9 Å²	75.9	1%	0.005	40%	0.4	C	S	.	.	H	α-helix	trans	-66.3	-47.4	176	-174.5	62.8	86.8	0	0	110.8	H487 I490 W525 S530 T531 L547 E616 V617 R622 L623 L624	H487-M620 HydrophobicContact CB-CB 4.44Å; H487-M620 HydrophobicContact CB-CG 4.38Å; I490-M620 HydrophobicContact CG1-CG 4.32Å; I490-M620 HydrophobicContact CG2-CE 4.47Å; W525-M620 HydrophobicContact CH2-CE 4.1Å; W525-M620 HydrophobicContact CZ3-CE 4.27Å; S530-M620 WeakPolarHBondContact O-CE 3.31Å; T531-M620 HydrophobicContact CG2-CE 4.4Å; L547-M620 HydrophobicContact CD1-CE 4.26Å; E616-M620 PolarHBondContact O-N 3.11Å; E616-M620 VanDerWaalsContact O-N 3.1Å; V617-M620 PolarHBondContact O-N 3.27Å; V617-M620 VanDerWaalsContact O-N 3.14Å; M620-R622 VanDerWaalsContact C-N 3.31Å; M620-R622 PolarHBondContact O-N 3.1Å; M620-L623 CarbonylContact O-C 3.57Å; M620-L623 WeakPolarHBondContact O-CA 3.43Å; M620-L623 VanDerWaalsContact O-CB 3.32Å; M620-L623 WeakPolarHBondContact O-CB 3.46Å; M620-L623 PolarHBondContact O-N 3.29Å; M620-L623 HydrophobicContact SD-CD2 4.13Å; M620-L624 HydrophobicContact CG-CD1 3.93Å; M620-L624 HydrophobicContact CG-CD2 4.46Å; M620-L624 HydrophobicContact CG-CG 4.07Å; M620-L624 VanDerWaalsContact O-CG 3.3Å; M620-L624 WeakPolarHBondContact O-CG 3.45Å; M620-L624 PolarHBondContact O-N 3.13Å; M620-L624 HydrophobicContact SD-CD2 4.19Å; M620-L624 HydrophobicContact SD-CG 4.32Å
621	D	90.1	Very high	77.1	Confident	48 Å²	48	85 Å²	85	26%	0.257	44%	0.436	S	S	.	.	H	α-helix	trans	-57.6	-40	-179.7	-82.5	-35.4	0	0	0	113.4	H487 R489 V617 L618 L623 L624 A625	H487-D621 IonicContact CD2-OD1 3.43Å; H487-D621 IonicContact NE2-OD1 2.8Å; H487-D621 PolarHBondContact NE2-OD1 3.19Å; R489-D621 IonicContact CZ-OD1 3.17Å; R489-D621 IonicContact NH2-OD1 3.69Å; R489-D621 PolarHBondContact NH2-OD1 3.22Å; V617-D621 PolarHBondContact O-N 2.97Å; L618-D621 PolarHBondContact O-N 3.32Å; D621-L623 VanDerWaalsContact C-N 3.29Å; D621-L623 PolarHBondContact O-N 3.23Å; D621-L624 PolarHBondContact O-N 3.4Å; D621-A625 WeakPolarHBondContact O-CB 3.44Å; D621-A625 PolarHBondContact O-N 3.05Å
622	R	87.8	Confident	77.8	Confident	173 Å²	173	78.8 Å²	78.8	65%	0.653	41%	0.412	S	S	*	.	H	α-helix	trans	-60.4	-40.9	173.6	-75.6	175.3	-172.4	173.6	4.4	111.9	L618 M620 A625 L626	L618-R622 WeakPolarHBondContact O-CB 3.45Å; L618-R622 VanDerWaalsContact O-CG 3.29Å; L618-R622 WeakPolarHBondContact O-CG 3.45Å; L618-R622 PolarHBondContact O-N 3.49Å; M620-R622 VanDerWaalsContact C-N 3.31Å; M620-R622 PolarHBondContact O-N 3.1Å; R622-A625 PolarHBondContact O-N 2.97Å; R622-L626 WeakPolarHBondContact O-CG 3.15Å; R622-L626 PolarHBondContact O-N 3.22Å
623	L	87.3	Confident	78.1	Confident	11 Å²	11	80.4 Å²	80.4	6%	0.058	41%	0.408	C	S	.	.	H	α-helix	trans	-68.4	-40.7	178.3	-178.5	139.2	0	0	0	111.4	F512 L547 K619 M620 D621 L626 L627	F512-L623 HydrophobicContact CE2-CD2 3.51Å; F512-L623 HydrophobicContact CZ-CD2 3.6Å; F512-L623 HydrophobicContact CZ-CG 4.45Å; L547-L623 VanDerWaalsContact C-CD1 3.43Å; L547-L623 HydrophobicContact CB-CD1 3.64Å; L547-L623 HydrophobicContact CB-CD2 4.41Å; L547-L623 WeakPolarHBondContact O-CD1 3.21Å; K619-L623 PolarHBondContact O-N 3.39Å; M620-L623 CarbonylContact O-C 3.57Å; M620-L623 WeakPolarHBondContact O-CA 3.43Å; M620-L623 VanDerWaalsContact O-CB 3.32Å; M620-L623 WeakPolarHBondContact O-CB 3.46Å; M620-L623 PolarHBondContact O-N 3.29Å; M620-L623 HydrophobicContact SD-CD2 4.13Å; D621-L623 VanDerWaalsContact C-N 3.29Å; D621-L623 PolarHBondContact O-N 3.23Å; L623-L626 PolarHBondContact O-N 3.19Å; L623-L627 HydrophobicContact CD2-CD1 4.36Å
624	L	85.5	Confident	77.9	Confident	2 Å²	2	80.8 Å²	80.8	1%	0.01	40%	0.402	C	S	.	.	H	α-helix	trans	-67.4	-36.4	175.8	-58.1	175.2	0	0	0	111.9	I490 M511 M620 D621 L626 L627 R628	I490-L624 HydrophobicContact CD1-CD1 3.75Å; I490-L624 HydrophobicContact CD1-CD2 3.91Å; I490-L624 HydrophobicContact CG1-CD1 3.98Å; M511-L624 HydrophobicContact CE-CB 3.98Å; M511-L624 HydrophobicContact CE-CD2 3.33Å; M511-L624 HydrophobicContact CE-CG 4.13Å; M511-L624 HydrophobicContact SD-CD2 3.65Å; M620-L624 HydrophobicContact CG-CD1 3.93Å; M620-L624 HydrophobicContact CG-CD2 4.46Å; M620-L624 HydrophobicContact CG-CG 4.07Å; M620-L624 VanDerWaalsContact O-CG 3.3Å; M620-L624 WeakPolarHBondContact O-CG 3.45Å; M620-L624 PolarHBondContact O-N 3.13Å; M620-L624 HydrophobicContact SD-CD2 4.19Å; M620-L624 HydrophobicContact SD-CG 4.32Å; D621-L624 PolarHBondContact O-N 3.4Å; L624-L626 VanDerWaalsContact C-N 3.34Å; L624-L626 PolarHBondContact O-N 2.9Å; L624-L627 PolarHBondContact O-N 3.36Å; L624-R628 WeakPolarHBondContact O-CG 2.94Å; L624-R628 PolarHBondContact O-N 3.14Å
625	A	85.3	Confident	77.5	Confident	55 Å²	55	76.5 Å²	76.5	46%	0.455	38%	0.384	S	S	.	.	H	α-helix	trans	-62.8	-39.9	177.5	0	0	0	0	0	112.1	D621 R622 L627 R628 E629	D621-A625 WeakPolarHBondContact O-CB 3.44Å; D621-A625 PolarHBondContact O-N 3.05Å; R622-A625 PolarHBondContact O-N 2.97Å; A625-L627 PolarHBondContact O-N 2.85Å; A625-R628 PolarHBondContact O-N 3.14Å; A625-R628 VanDerWaalsContact O-N 3.08Å; A625-E629 PolarHBondContact O-N 3.24Å
626	L	82.1	Confident	77	Confident	103 Å²	103	80.3 Å²	80.3	54%	0.539	40%	0.399	S	S	.	.	H	α-helix	trans	-64.1	-23.1	176.5	-69.3	171	0	0	0	113.7	R622 L623 L624	R622-L626 WeakPolarHBondContact O-CG 3.15Å; R622-L626 PolarHBondContact O-N 3.22Å; L623-L626 PolarHBondContact O-N 3.19Å; L624-L626 VanDerWaalsContact C-N 3.34Å; L624-L626 PolarHBondContact O-N 2.9Å
627	L	76.9	Confident	76.2	Confident	64 Å²	64	83.2 Å²	83.2	34%	0.335	41%	0.414	S	S	.	.	H	α-helix	trans	-91	-16.4	176.1	-62.5	163.6	0	0	0	112.5	M511 F512 L623 L624 A625	M511-L627 HydrophobicContact CE-CD1 4.3Å; F512-L627 HydrophobicContact CD2-CD1 4.1Å; F512-L627 HydrophobicContact CE1-CD1 3.85Å; F512-L627 HydrophobicContact CE1-CD2 3.97Å; F512-L627 HydrophobicContact CE1-CG 4.5Å; F512-L627 HydrophobicContact CE2-CD1 3.21Å; F512-L627 HydrophobicContact CZ-CD1 3.08Å; F512-L627 HydrophobicContact CZ-CD2 3.96Å; F512-L627 HydrophobicContact CZ-CG 4Å; L623-L627 HydrophobicContact CD2-CD1 4.36Å; L624-L627 PolarHBondContact O-N 3.36Å; A625-L627 PolarHBondContact O-N 2.85Å
628	R	69	Low	75.3	Confident	103 Å²	103	86.8 Å²	86.8	39%	0.389	43%	0.429	S	S	.	.	H	α-helix	trans	-94.2	-4.5	-178.3	-74.4	178.1	-175.6	-171.6	2.6	112.8	D504 L624 A625 P630	D504-R628 IonicContact OD2-CZ 2.62Å; D504-R628 IonicContact OD2-NH2 3.95Å; D504-R628 PolarHBondContact OD2-NH2 3.37Å; L624-R628 WeakPolarHBondContact O-CG 2.94Å; L624-R628 PolarHBondContact O-N 3.14Å; A625-R628 PolarHBondContact O-N 3.14Å; A625-R628 VanDerWaalsContact O-N 3.08Å; R628-P630 WeakPolarHBondContact O-CD 3.48Å
629	E	48	Very low	74.2	Confident	151 Å²	151	87.2 Å²	87.2	71%	0.706	43%	0.43	S	S	*	.	S	Bend	trans	-62.9	118.3	166.8	-77.3	-172.8	172.3	0	0	108.1	A625	A625-E629 PolarHBondContact O-N 3.24Å
630	P	43.6	Very low	73.1	Confident	119 Å²	119	91.5 Å²	91.5	77%	0.773	45%	0.453	S	S	*	.			trans	-70.1	138.9	-178.7	28.9	-31.1	0	0	0	109.2	R628	R628-P630 WeakPolarHBondContact O-CD 3.48Å
631	E	32.3	Very low	71.6	Confident	268 Å²	268	99.7 Å²	99.7	100%	1.252	49%	0.493	S	S	*	.			trans	-56.8	0	150.8	-73.8	-172.5	153.9	0	0	110.9

Retrieved 631 of 631 residues in 599.2 ms (Link to these results)

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