G4V778_SCHMA Loading...

mitogen-activated protein kinase kinase

AlphaFold DB , UniProt , Accession G4V778, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 336 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	43.6	Very low	42.3	Very low	112 Å²	112	95.6 Å²	95.6	55%	0.552	46%	0.458	S	S	*	.				0	133.3	0	-91.4	179.3	-82.8	0	0	107.6	V312 R317	M1-V312 HydrophobicContact CE-CB 4.38Å; M1-V312 HydrophobicContact CE-CG1 4.06Å; M1-R317 HydrophobicContact CE-CB 4.22Å
2	S	40.2	Very low	41.9	Very low	69 Å²	69	94.1 Å²	94.1	48%	0.483	47%	0.473	S	S	.	.			trans	-68.3	153.9	175.5	56.8	0	0	0	0	110.6	Q4 S5 I6	S2-Q4 PolarHBondContact O-N 2.82Å; S2-S5 WeakPolarHBondContact O-CA 3.26Å; S2-S5 VanDerWaalsContact O-CB 3.29Å; S2-S5 WeakPolarHBondContact O-CB 3.25Å; S2-S5 PolarHBondContact O-N 2.83Å; S2-S5 PolarHBondContact OG-N 3.49Å; S2-I6 PolarHBondContact O-N 3.31Å
3	E	36.5	Very low	41.6	Very low	109 Å²	109	90.3 Å²	90.3	51%	0.509	46%	0.455	S	S	.	.	H	α-helix	trans	-49.6	-33.5	173.4	-165.4	-171	152.8	0	0	111.9	S5 I6 R7	E3-S5 PolarHBondContact O-N 3.14Å; E3-I6 PolarHBondContact O-N 3.06Å; E3-R7 PolarHBondContact O-N 3.07Å; E3-R7 VanDerWaalsContact O-N 3.15Å; E3-R7 IonicContact OE1-CZ 3.68Å; E3-R7 VanDerWaalsContact OE1-CZ 3.26Å; E3-R7 IonicContact OE1-NH1 3.26Å; E3-R7 PolarHBondContact OE1-NH1 2.87Å; E3-R7 IonicContact OE1-NH2 3.8Å; E3-R7 PolarHBondContact OE1-NH2 3.3Å
4	Q	39.7	Very low	41.4	Very low	152 Å²	152	92.6 Å²	92.6	71%	0.71	48%	0.479	S	S	*	.	H	α-helix	trans	-62.9	-38.4	173.4	-68.4	177.7	-14.6	0	0	113.1	S2 I6 R7 H8	S2-Q4 PolarHBondContact O-N 2.82Å; Q4-I6 VanDerWaalsContact C-N 3.33Å; Q4-I6 PolarHBondContact O-N 2.67Å; Q4-R7 PolarHBondContact O-N 3.27Å; Q4-H8 WeakPolarHBondContact O-CB 3.29Å; Q4-H8 PolarHBondContact O-N 3.39Å
5	S	43.7	Very low	41	Very low	40 Å²	40	95.9 Å²	95.9	28%	0.28	50%	0.498	S	S	.	.	H	α-helix	trans	-68.8	-30.9	178.7	-178	0	0	0	0	112.7	S2 E3	S2-S5 WeakPolarHBondContact O-CA 3.26Å; S2-S5 VanDerWaalsContact O-CB 3.29Å; S2-S5 WeakPolarHBondContact O-CB 3.25Å; S2-S5 PolarHBondContact O-N 2.83Å; S2-S5 PolarHBondContact OG-N 3.49Å; E3-S5 PolarHBondContact O-N 3.14Å
6	I	40	Very low	40.6	Very low	15 Å²	15	101.3 Å²	101.3	8%	0.077	52%	0.52	C	S	.	.	H	α-helix	trans	-69.6	-50.5	174.2	-69	172.8	0	0	0	108.5	S2 E3 Q4 H8 R9 F10 L311	S2-I6 PolarHBondContact O-N 3.31Å; E3-I6 PolarHBondContact O-N 3.06Å; Q4-I6 VanDerWaalsContact C-N 3.33Å; Q4-I6 PolarHBondContact O-N 2.67Å; I6-H8 VanDerWaalsContact C-N 3.31Å; I6-H8 PolarHBondContact O-N 3.48Å; I6-R9 PolarHBondContact O-N 3.15Å; I6-F10 HydrophobicContact CG2-CD2 4.45Å; I6-F10 HydrophobicContact CG2-CE2 3.63Å; I6-F10 HydrophobicContact CG2-CZ 4.5Å; I6-F10 WeakPolarHBondContact O-CD2 3.34Å; I6-F10 VanDerWaalsContact O-CE2 3.24Å; I6-F10 WeakPolarHBondContact O-CE2 3.45Å; I6-L311 HydrophobicContact CD1-CD1 4.25Å; I6-L311 HydrophobicContact CG2-CD1 4.13Å
7	R	43.4	Very low	40.1	Very low	129 Å²	129	101.5 Å²	101.5	49%	0.487	52%	0.518	S	S	.	.	H	α-helix	trans	-57.7	-38.4	175.3	-74	-175.3	174.1	140.9	13.7	113.7	E3 Q4 R9 F10	E3-R7 PolarHBondContact O-N 3.07Å; E3-R7 VanDerWaalsContact O-N 3.15Å; E3-R7 IonicContact OE1-CZ 3.68Å; E3-R7 VanDerWaalsContact OE1-CZ 3.26Å; E3-R7 IonicContact OE1-NH1 3.26Å; E3-R7 PolarHBondContact OE1-NH1 2.87Å; E3-R7 IonicContact OE1-NH2 3.8Å; E3-R7 PolarHBondContact OE1-NH2 3.3Å; Q4-R7 PolarHBondContact O-N 3.27Å; R7-R9 VanDerWaalsContact C-N 3.3Å; R7-R9 PolarHBondContact O-N 3.37Å; R7-F10 PolarHBondContact O-N 3.41Å
8	H	46.7	Very low	39.2	Very low	143 Å²	143	106.4 Å²	106.4	66%	0.662	54%	0.535	S	S	*	.	H	α-helix	trans	-71.1	-22.5	-176.7	-144.3	-66.4	0	0	0	113.9	Q4 I6 F10	Q4-H8 WeakPolarHBondContact O-CB 3.29Å; Q4-H8 PolarHBondContact O-N 3.39Å; I6-H8 VanDerWaalsContact C-N 3.31Å; I6-H8 PolarHBondContact O-N 3.48Å; H8-F10 VanDerWaalsContact C-N 3.31Å
9	R	49.6	Very low	38.5	Very low	107 Å²	107	110.5 Å²	110.5	40%	0.404	56%	0.558	S	S	.	*	H	α-helix	trans	-72.6	-25.5	173.9	-75.1	175.9	173.2	-170.1	-6.6	112.8	I6 R7 R317	I6-R9 PolarHBondContact O-N 3.15Å; R7-R9 VanDerWaalsContact C-N 3.3Å; R7-R9 PolarHBondContact O-N 3.37Å; R9-R317 PolarHBondContact NH1-O 3.2Å; R9-R317 PolarHBondContact NH2-O 3.21Å
10	F	44	Very low	37.8	Very low	54 Å²	54	114.6 Å²	114.6	24%	0.237	57%	0.572	C	S	.	*	H	α-helix	trans	-83.4	-18.1	-179.9	-62.5	-65.9	0	0	0	113.7	I6 R7 H8 F114 F163 S167	I6-F10 HydrophobicContact CG2-CD2 4.45Å; I6-F10 HydrophobicContact CG2-CE2 3.63Å; I6-F10 HydrophobicContact CG2-CZ 4.5Å; I6-F10 WeakPolarHBondContact O-CD2 3.34Å; I6-F10 VanDerWaalsContact O-CE2 3.24Å; I6-F10 WeakPolarHBondContact O-CE2 3.45Å; R7-F10 PolarHBondContact O-N 3.41Å; H8-F10 VanDerWaalsContact C-N 3.31Å; F10-F114 HydrophobicContact CD1-CE2 4.49Å; F10-F114 HydrophobicContact CE1-CE2 4.19Å; F10-F163 HydrophobicContact CE1-CE1 4.31Å; F10-F163 AromaticContact CE1-CZ 3.95Å; F10-F163 HydrophobicContact CE1-CZ 3.95Å; F10-F163 HydrophobicContact CZ-CZ 4.3Å; F10-S167 WeakPolarHBondContact CE1-OG 3.39Å
11	L	37.7	Very low	37.2	Very low	122 Å²	122	117.5 Å²	117.5	64%	0.639	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.5	2	-175.6	-67.6	170.6	0	0	0	114.6
12	A	38	Very low	36.3	Very low	77 Å²	77	115.7 Å²	115.7	64%	0.636	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.3	6.8	179.4	0	0	0	0	0	114.1
13	L	38.1	Very low	35.4	Very low	45 Å²	45	124 Å²	124	24%	0.236	62%	0.619	C	S	.	*	S	Bend	trans	-83.6	143.7	170.3	-68.8	166.6	0	0	0	109.6	N15 P113 V321	L13-N15 PolarHBondContact O-N 3.49Å; L13-P113 HydrophobicContact CD1-CB 4.06Å; L13-P113 HydrophobicContact CD1-CG 4Å; L13-V321 HydrophobicContact CD2-CG1 4.39Å
14	P	37.8	Very low	34.9	Very low	123 Å²	123	124.6 Å²	124.6	80%	0.799	63%	0.63	S	S	*	*			trans	-51.7	127.3	178.4	-24.3	32.3	0	0	0	111.8	E16	P14-E16 PolarHBondContact O-N 2.79Å
15	N	35.7	Very low	34.2	Very low	142 Å²	142	123.6 Å²	123.6	76%	0.759	63%	0.634	S	S	*	*			trans	-80.9	110.1	-180	-86	-49.9	0	0	0	111.1	L13	L13-N15 PolarHBondContact O-N 3.49Å
16	E	35.5	Very low	33.4	Very low	182 Å²	182	124.6 Å²	124.6	85%	0.85	64%	0.642	S	S	*	*			trans	-145.5	123.9	153.5	-73.1	-172.6	177.9	0	0	104.9	P14	P14-E16 PolarHBondContact O-N 2.79Å
17	Q	31.8	Very low	32.8	Very low	104 Å²	104	129.3 Å²	129.3	49%	0.486	67%	0.673	S	S	.	*			cis	-139.1	148.6	10.6	-71.2	151.5	-32.5	0	0	107.8	D47	Q17-D47 PolarHBondContact NE2-OD1 3.4Å
18	K	24.4	Very low	32	Very low	191 Å²	191	132 Å²	132	83%	0.83	68%	0.683	S	S	*	*			trans	-98.2	130.1	163.3	-76.7	177.1	178.9	173.2	0	107.8
19	L	25.7	Very low	31.2	Very low	183 Å²	183	129.4 Å²	129.4	96%	0.958	68%	0.68	S	S	*	*			trans	-162.7	131.1	140.7	-102.5	143.2	0	0	0	111.2
20	K	23.8	Very low	30.2	Very low	193 Å²	193	132.1 Å²	132.1	84%	0.839	70%	0.697	S	S	*	*			trans	-91.9	148.5	-179.8	-67.6	176.5	173.5	-178	0	109.4
21	L	25.7	Very low	29.6	Very low	175 Å²	175	137.4 Å²	137.4	92%	0.916	73%	0.727	S	S	*	*			trans	178.3	135.2	134.6	-112.8	88.2	0	0	0	105.6
22	G	24.7	Very low	29.1	Very low	74 Å²	74	133 Å²	133	76%	0.763	71%	0.705	S	S	*	*				113.8	99.2	50.4	0	0	0	0	0	107.5
23	R	22	Very low	29.2	Very low	243 Å²	243	132.3 Å²	132.3	92%	0.917	69%	0.694	S	S	*	*			trans	-60.4	156.1	-169.2	-69.6	175.4	171.6	175.3	-4.1	114.5
24	V	25.9	Very low	29.6	Very low	123 Å²	123	132 Å²	132	75%	0.745	69%	0.694	S	S	*	*				160.3	114.4	110.3	164.3	0	0	0	0	111.8
25	T	24.4	Very low	29.9	Very low	130 Å²	130	128.2 Å²	128.2	80%	0.798	67%	0.67	S	S	*	*			trans	41.4	134.8	144	71.3	0	0	0	0	123.2
26	S	25.8	Very low	31	Very low	62 Å²	62	126.4 Å²	126.4	43%	0.434	66%	0.66	S	S	.	*			trans	-146.9	141	135.9	41.4	0	0	0	0	112.1	N36	S26-N36 PolarHBondContact O-ND2 3.44Å; S26-N36 PolarHBondContact OG-ND2 3.22Å; S26-N36 PolarHBondContact OG-OD1 3.38Å
27	P	27.1	Very low	32.8	Very low	113 Å²	113	119.3 Å²	119.3	73%	0.734	63%	0.627	S	S	*	*			trans	-97.5	134.1	174.1	29.4	-18.9	0	0	0	113.7
28	R	28.2	Very low	35.3	Very low	185 Å²	185	117.3 Å²	117.3	70%	0.698	63%	0.625	S	S	*	*			trans	61.7	116.3	144	-54.2	-155.9	167.6	166.2	-4	121.3	T32	R28-T32 HydrophobicContact CB-CG2 3.34Å; R28-T32 HydrophobicContact CG-CG2 3.58Å
29	C	29.3	Very low	38.4	Very low	89 Å²	89	112.9 Å²	112.9	60%	0.601	61%	0.614	S	S	*	*			trans	-120.2	85	150.2	-157.1	0	0	0	0	112.1	T32 P33	C29-T32 WeakPolarHBondContact O-CA 2.96Å; C29-P33 WeakPolarHBondContact O-CD 3.44Å
30	H	29.6	Very low	41.5	Very low	164 Å²	164	105.9 Å²	105.9	76%	0.759	58%	0.581	S	S	*	*	S	Bend	trans	11.4	120.1	156.4	-38.6	-75.3	0	0	0	121.3
31	L	31.3	Very low	44.6	Very low	166 Å²	166	97.4 Å²	97.4	87%	0.869	55%	0.546	S	S	*	.	S	Bend	cis	-63.2	116.4	-38.1	-73.9	152.7	0	0	0	106.2	P33	L31-P33 WeakPolarHBondContact O-CD 3.24Å
32	T	27.1	Very low	47.6	Very low	29 Å²	29	93.8 Å²	93.8	18%	0.178	53%	0.527	C	S	.	.	P	Polyproline II helix	trans	-62.9	119.7	-146.9	57.3	0	0	0	0	111.6	R28 C29 V34 P35	R28-T32 HydrophobicContact CB-CG2 3.34Å; R28-T32 HydrophobicContact CG-CG2 3.58Å; C29-T32 WeakPolarHBondContact O-CA 2.96Å; T32-V34 PolarHBondContact O-N 3.22Å; T32-P35 HydrophobicContact CG2-CG 4.41Å
33	P	38.6	Very low	50.6	Low	63 Å²	63	90.3 Å²	90.3	41%	0.409	49%	0.491	S	S	.	.	S	Bend	trans	-46.9	134.7	151	11.5	-8.1	0	0	0	104	C29 L31 P35	C29-P33 WeakPolarHBondContact O-CD 3.44Å; L31-P33 WeakPolarHBondContact O-CD 3.24Å; P33-P35 WeakPolarHBondContact O-CA 3.1Å; P33-P35 WeakPolarHBondContact O-CD 3.49Å
34	V	47.6	Very low	53.7	Low	38 Å²	38	83.1 Å²	83.1	23%	0.23	47%	0.471	C	S	.	.	S	Bend	trans	-39.9	111.2	-173.8	-177.5	0	0	0	0	107.1	T32 N36 L37 L93 I101	T32-V34 PolarHBondContact O-N 3.22Å; V34-N36 PolarHBondContact O-N 3.25Å; V34-L37 HydrophobicContact CB-CD1 4.02Å; V34-L37 PolarHBondContact O-N 3.26Å; V34-L37 VanDerWaalsContact O-N 3.11Å; V34-L93 HydrophobicContact CG2-CD1 4.43Å; V34-I101 HydrophobicContact CB-CD1 3.6Å; V34-I101 HydrophobicContact CG1-CD1 3.84Å; V34-I101 HydrophobicContact CG1-CG1 4.49Å; V34-I101 HydrophobicContact CG2-CD1 3.22Å; V34-I101 HydrophobicContact CG2-CG1 3.96Å
35	P	44.6	Very low	56.4	Low	44 Å²	44	77.9 Å²	77.9	29%	0.286	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.6	123.6	-151.8	-32.4	32.2	0	0	0	109.3	T32 P33	T32-P35 HydrophobicContact CG2-CG 4.41Å; P33-P35 WeakPolarHBondContact O-CA 3.1Å; P33-P35 WeakPolarHBondContact O-CD 3.49Å
36	N	59	Low	59.1	Low	103 Å²	103	77.8 Å²	77.8	55%	0.551	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.9	14.5	174.7	-33.4	-61.2	0	0	0	118.8	S26 V34 S38	S26-N36 PolarHBondContact O-ND2 3.44Å; S26-N36 PolarHBondContact OG-ND2 3.22Å; S26-N36 PolarHBondContact OG-OD1 3.38Å; V34-N36 PolarHBondContact O-N 3.25Å; N36-S38 PolarHBondContact O-N 3.19Å
37	L	71.8	Confident	61.7	Low	33 Å²	33	80.9 Å²	80.9	17%	0.173	45%	0.445	C	S	.	.			trans	-76.1	112	164.9	-75.6	171.8	0	0	0	111.1	V34 I101 L104 A121 T123 V128	V34-L37 HydrophobicContact CB-CD1 4.02Å; V34-L37 PolarHBondContact O-N 3.26Å; V34-L37 VanDerWaalsContact O-N 3.11Å; L37-I101 HydrophobicContact CD1-CD1 3.47Å; L37-I101 VanDerWaalsContact CD1-CD1 3.47Å; L37-L104 HydrophobicContact CD2-CD2 4.18Å; L37-A121 HydrophobicContact CD2-CB 4.01Å; L37-A121 WeakPolarHBondContact CD2-O 3.12Å; L37-T123 HydrophobicContact CB-CG2 4Å; L37-V128 HydrophobicContact CD1-CG1 4.04Å; L37-V128 HydrophobicContact CD1-CG2 4.19Å
38	S	84.3	Confident	64.5	Low	63 Å²	63	79.4 Å²	79.4	44%	0.441	43%	0.434	S	S	.	.			trans	-74.4	164.5	173	40.8	0	0	0	0	112	N36 S40 F122 T123	N36-S38 PolarHBondContact O-N 3.19Å; S38-S40 WeakPolarHBondContact CB-O 3.45Å; S38-S40 PolarHBondContact O-N 2.85Å; S38-S40 PolarHBondContact OG-O 3.25Å; S38-F122 CarbonylContact O-C 3.44Å; S38-F122 VanDerWaalsContact O-CA 3.29Å; S38-F122 WeakPolarHBondContact O-CA 3.26Å; S38-F122 VanDerWaalsContact O-CB 3.24Å; S38-F122 WeakPolarHBondContact O-CB 3.34Å; S38-T123 PolarHBondContact O-N 3.33Å; S38-T123 PolarHBondContact O-OG1 2.66Å
39	T	89.8	Confident	67.5	Low	97 Å²	97	74.7 Å²	74.7	60%	0.595	43%	0.427	S	S	*	.	S	Bend	trans	-73.1	-7.1	171.4	53.4	0	0	0	0	113.2	T123	T39-T123 WeakPolarHBondContact CA-O 3.26Å
40	S	90.6	Very high	70.4	Confident	37 Å²	37	72.6 Å²	72.6	26%	0.259	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	159.9	173.1	65.2	0	0	0	0	110.8	S38 V52	S38-S40 WeakPolarHBondContact CB-O 3.45Å; S38-S40 PolarHBondContact O-N 2.85Å; S38-S40 PolarHBondContact OG-O 3.25Å; S40-V52 CarbonylContact C-O 3.54Å; S40-V52 WeakPolarHBondContact CA-O 3.38Å; S40-V52 WeakPolarHBondContact CB-O 3.48Å
41	A	88.7	Confident	73.5	Confident	14 Å²	14	69.3 Å²	69.3	12%	0.116	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	158.8	169.5	0	0	0	0	0	110.7	T51 V52 C120 F122	A41-T51 WeakPolarHBondContact O-CA 3.4Å; A41-V52 PolarHBondContact N-O 3.07Å; A41-V52 PolarHBondContact O-N 3.12Å; A41-C120 HydrophobicContact CB-CB 3.73Å; A41-F122 HydrophobicContact CB-CB 4.2Å; A41-F122 HydrophobicContact CB-CD1 3.91Å
42	I	88.7	Confident	76.5	Confident	100 Å²	100	61.5 Å²	61.5	51%	0.513	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	122.1	167.8	-58.8	174.5	0	0	0	107.6	P49	I42-P49 HydrophobicContact CG2-CB 3.76Å
43	L	89	Confident	79.7	Confident	1 Å²	1	62 Å²	62	1%	0.005	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	115.9	173	175	61.5	0	0	0	108.1	I45 I50 V52 F57 L76 F83 Y119 L131	L43-I45 HydrophobicContact CD2-CD1 3.78Å; L43-I45 HydrophobicContact CD2-CG1 4.2Å; L43-I45 HydrophobicContact CG-CD1 4.07Å; L43-I45 HydrophobicContact CG-CG1 3.97Å; L43-I50 PolarHBondContact N-O 2.8Å; L43-I50 PolarHBondContact O-N 3.34Å; L43-V52 HydrophobicContact CB-CG1 4.18Å; L43-V52 HydrophobicContact CB-CG2 3.87Å; L43-V52 HydrophobicContact CD2-CG1 4.16Å; L43-V52 HydrophobicContact CD2-CG2 4.37Å; L43-F57 HydrophobicContact CD2-CZ 4.3Å; L43-L76 HydrophobicContact CD2-CD2 4.06Å; L43-F83 HydrophobicContact CD1-CE1 4.19Å; L43-F83 HydrophobicContact CD2-CE1 4.25Å; L43-F83 HydrophobicContact CD2-CE2 4.18Å; L43-F83 HydrophobicContact CD2-CZ 3.83Å; L43-Y119 HydrophobicContact CD1-CD1 4.33Å; L43-Y119 HydrophobicContact CD1-CG 3.94Å; L43-L131 HydrophobicContact CD1-CD2 4.41Å; L43-L131 HydrophobicContact CD2-CD2 4.04Å
44	D	85.8	Confident	82.3	Confident	92 Å²	92	59.2 Å²	59.2	49%	0.492	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	110.7	176.7	-66.2	-46.6	0	0	0	110	P49	D44-P49 VanDerWaalsContact OD1-CA 3.31Å; D44-P49 WeakPolarHBondContact OD1-CA 3.4Å; D44-P49 VanDerWaalsContact OD1-CB 3.28Å; D44-P49 WeakPolarHBondContact OD1-CB 3.04Å
45	I	82.8	Confident	84.6	Confident	13 Å²	13	62.8 Å²	62.8	7%	0.067	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	115.4	176.4	-70.8	168.2	0	0	0	107.9	L43 D47 T48 I50 L76 T79 E81 F83	L43-I45 HydrophobicContact CD2-CD1 3.78Å; L43-I45 HydrophobicContact CD2-CG1 4.2Å; L43-I45 HydrophobicContact CG-CD1 4.07Å; L43-I45 HydrophobicContact CG-CG1 3.97Å; I45-D47 VanDerWaalsContact C-N 3.32Å; I45-D47 PolarHBondContact O-N 3.33Å; I45-T48 PolarHBondContact N-O 3.37Å; I45-T48 WeakPolarHBondContact O-CA 3.27Å; I45-T48 VanDerWaalsContact O-CB 3.27Å; I45-T48 WeakPolarHBondContact O-CB 3.23Å; I45-T48 PolarHBondContact O-N 3.36Å; I45-I50 HydrophobicContact CD1-CD1 4.35Å; I45-L76 HydrophobicContact CD1-CD2 3.58Å; I45-T79 HydrophobicContact CD1-CG2 4.1Å; I45-E81 WeakPolarHBondContact CD1-OE2 3.13Å; I45-E81 WeakPolarHBondContact CG1-OE2 3.12Å; I45-E81 WeakPolarHBondContact CG2-OE1 3.37Å; I45-E81 WeakPolarHBondContact CG2-OE2 3.45Å; I45-F83 HydrophobicContact CD1-CZ 3.95Å; I45-F83 HydrophobicContact CG1-CZ 4.22Å
46	N	81	Confident	87	Confident	127 Å²	127	63.5 Å²	63.5	68%	0.679	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.7	52.3	178.1	-54.6	-46.9	0	0	0	112.6	T48 E81	N46-T48 PolarHBondContact O-N 3.29Å; N46-T48 VanDerWaalsContact O-N 3.14Å; N46-E81 PolarHBondContact ND2-OE1 3.4Å
47	D	80.3	Confident	88.8	Confident	128 Å²	128	59 Å²	59	68%	0.684	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.6	16.2	-176.9	-58.2	-52.2	0	0	0	115.4	Q17 I45	Q17-D47 PolarHBondContact NE2-OD1 3.4Å; I45-D47 VanDerWaalsContact C-N 3.32Å; I45-D47 PolarHBondContact O-N 3.33Å
48	T	86.8	Confident	89.9	Confident	82 Å²	82	60.3 Å²	60.3	50%	0.503	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	105.8	175.2	-53.5	0	0	0	0	110.2	I45 N46 I50	I45-T48 PolarHBondContact N-O 3.37Å; I45-T48 WeakPolarHBondContact O-CA 3.27Å; I45-T48 VanDerWaalsContact O-CB 3.27Å; I45-T48 WeakPolarHBondContact O-CB 3.23Å; I45-T48 PolarHBondContact O-N 3.36Å; N46-T48 PolarHBondContact O-N 3.29Å; N46-T48 VanDerWaalsContact O-N 3.14Å; T48-I50 HydrophobicContact CG2-CG1 4.36Å; T48-I50 PolarHBondContact O-N 3.1Å
49	P	90.3	Very high	90	Very high	86 Å²	86	62.1 Å²	62.1	56%	0.558	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.4	126.7	176.2	25.9	-32	0	0	0	110.6	I42 D44	I42-P49 HydrophobicContact CG2-CB 3.76Å; D44-P49 VanDerWaalsContact OD1-CA 3.31Å; D44-P49 WeakPolarHBondContact OD1-CA 3.4Å; D44-P49 VanDerWaalsContact OD1-CB 3.28Å; D44-P49 WeakPolarHBondContact OD1-CB 3.04Å
50	I	91.6	Very high	90.1	Very high	44 Å²	44	60.3 Å²	60.3	23%	0.226	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	130.1	175.7	-56.5	177.7	0	0	0	108.5	L43 I45 T48 V52 T79	L43-I50 PolarHBondContact N-O 2.8Å; L43-I50 PolarHBondContact O-N 3.34Å; I45-I50 HydrophobicContact CD1-CD1 4.35Å; T48-I50 HydrophobicContact CG2-CG1 4.36Å; T48-I50 PolarHBondContact O-N 3.1Å; I50-V52 HydrophobicContact CB-CG1 4.49Å; I50-V52 HydrophobicContact CG2-CG1 3.96Å; I50-T79 HydrophobicContact CD1-CG2 3.8Å
51	T	93.7	Very high	90.1	Very high	96 Å²	96	61.5 Å²	61.5	59%	0.589	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.3	123.3	168.8	-56.3	0	0	0	0	109.1	A41	A41-T51 WeakPolarHBondContact O-CA 3.4Å
52	V	93.9	Very high	90.3	Very high	1 Å²	1	65.6 Å²	65.6	1%	0.006	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	149.7	-179.1	-60.7	0	0	0	0	111.1	S40 A41 L43 I50 F57 L76 F122	S40-V52 CarbonylContact C-O 3.54Å; S40-V52 WeakPolarHBondContact CA-O 3.38Å; S40-V52 WeakPolarHBondContact CB-O 3.48Å; A41-V52 PolarHBondContact N-O 3.07Å; A41-V52 PolarHBondContact O-N 3.12Å; L43-V52 HydrophobicContact CB-CG1 4.18Å; L43-V52 HydrophobicContact CB-CG2 3.87Å; L43-V52 HydrophobicContact CD2-CG1 4.16Å; L43-V52 HydrophobicContact CD2-CG2 4.37Å; I50-V52 HydrophobicContact CB-CG1 4.49Å; I50-V52 HydrophobicContact CG2-CG1 3.96Å; V52-F57 HydrophobicContact CB-CE2 3.91Å; V52-F57 HydrophobicContact CB-CZ 4.22Å; V52-F57 HydrophobicContact CG1-CZ 4.42Å; V52-F57 HydrophobicContact CG2-CE2 4.05Å; V52-F57 HydrophobicContact CG2-CZ 4.21Å; V52-L76 HydrophobicContact CG1-CD1 3.9Å; V52-L76 HydrophobicContact CG1-CD2 4.22Å; V52-F122 HydrophobicContact CG2-CE1 4.22Å
53	T	94.7	Very high	90.4	Very high	41 Å²	41	64.8 Å²	64.8	25%	0.252	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	168.8	171.1	66.1	0	0	0	0	109	D55 D56 F57	T53-D55 PolarHBondContact O-N 3.37Å; T53-D55 PolarHBondContact OG1-N 3.27Å; T53-D56 WeakPolarHBondContact CA-OD2 3.27Å; T53-D56 WeakPolarHBondContact CB-OD2 3.41Å; T53-D56 PolarHBondContact N-OD2 2.94Å; T53-D56 WeakPolarHBondContact O-CB 3.05Å; T53-D56 PolarHBondContact O-N 3.45Å; T53-D56 VanDerWaalsContact O-N 3.12Å; T53-D56 PolarHBondContact OG1-OD2 3.12Å; T53-F57 VanDerWaalsContact O-CD2 3.25Å; T53-F57 WeakPolarHBondContact O-CD2 3.47Å; T53-F57 WeakPolarHBondContact O-CE2 3.43Å
54	G	93	Very high	90.1	Very high	3 Å²	3	66.1 Å²	66.1	3%	0.031	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-61.4	-27.7	175.8	0	0	0	0	0	114	D56 F57 F122 H124	G54-D56 PolarHBondContact O-N 3.34Å; G54-F57 PolarHBondContact O-N 3.26Å; G54-F122 VanDerWaalsContact N-CE2 3.32Å; G54-H124 WeakPolarHBondContact CA-ND1 3.2Å
55	D	95.4	Very high	89.9	Confident	114 Å²	114	68.6 Å²	68.6	61%	0.61	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-69.4	-16.9	177.6	-65.8	-42.3	0	0	0	113.1	T53 F57 K77 H124	T53-D55 PolarHBondContact O-N 3.37Å; T53-D55 PolarHBondContact OG1-N 3.27Å; D55-F57 PolarHBondContact O-N 3.17Å; D55-K77 PolarHBondContact O-NZ 3.11Å; D55-H124 IonicContact OD1-CE1 3.1Å; D55-H124 PolarHBondContact OD1-CE1 3.49Å
56	D	96.2	Very high	89.3	Confident	58 Å²	58	70.5 Å²	70.5	31%	0.31	41%	0.408	S	S	.	.	G	3₁₀ helix	trans	-78.6	-9.4	177.3	-61.7	-59.6	0	0	0	112.7	T53 G54 L76 K77	T53-D56 WeakPolarHBondContact CA-OD2 3.27Å; T53-D56 WeakPolarHBondContact CB-OD2 3.41Å; T53-D56 PolarHBondContact N-OD2 2.94Å; T53-D56 WeakPolarHBondContact O-CB 3.05Å; T53-D56 PolarHBondContact O-N 3.45Å; T53-D56 VanDerWaalsContact O-N 3.12Å; T53-D56 PolarHBondContact OG1-OD2 3.12Å; G54-D56 PolarHBondContact O-N 3.34Å; D56-L76 HydrophobicContact CB-CD1 3.81Å; D56-K77 WeakPolarHBondContact O-CB 3.23Å; D56-K77 VanDerWaalsContact O-CG 3.24Å; D56-K77 WeakPolarHBondContact O-CG 3.31Å; D56-K77 PolarHBondContact O-N 2.9Å
57	F	96.3	Very high	88.5	Confident	9 Å²	9	69.8 Å²	69.8	4%	0.039	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	151.2	-179.8	-65.2	-89.6	0	0	0	111.8	L43 V52 T53 G54 D55 M74 R75 L76 K77 F83 F122 W129 L131	L43-F57 HydrophobicContact CD2-CZ 4.3Å; V52-F57 HydrophobicContact CB-CE2 3.91Å; V52-F57 HydrophobicContact CB-CZ 4.22Å; V52-F57 HydrophobicContact CG1-CZ 4.42Å; V52-F57 HydrophobicContact CG2-CE2 4.05Å; V52-F57 HydrophobicContact CG2-CZ 4.21Å; T53-F57 VanDerWaalsContact O-CD2 3.25Å; T53-F57 WeakPolarHBondContact O-CD2 3.47Å; T53-F57 WeakPolarHBondContact O-CE2 3.43Å; G54-F57 PolarHBondContact O-N 3.26Å; D55-F57 PolarHBondContact O-N 3.17Å; F57-M74 HydrophobicContact CB-CB 4.19Å; F57-M74 HydrophobicContact CB-CE 3.63Å; F57-M74 HydrophobicContact CB-SD 4.32Å; F57-M74 HydrophobicContact CD1-CB 4.2Å; F57-R75 WeakPolarHBondContact CA-O 3.29Å; F57-L76 HydrophobicContact CD1-CB 4.2Å; F57-L76 HydrophobicContact CD1-CD1 4.46Å; F57-L76 HydrophobicContact CE1-CB 3.78Å; F57-L76 HydrophobicContact CE1-CD1 3.98Å; F57-L76 HydrophobicContact CE1-CG 4.39Å; F57-L76 HydrophobicContact CE2-CD1 4.17Å; F57-L76 HydrophobicContact CZ-CB 4.38Å; F57-L76 HydrophobicContact CZ-CD1 3.78Å; F57-K77 WeakPolarHBondContact O-CE 3.35Å; F57-F83 AromaticContact CE1-CD2 3.81Å; F57-F83 HydrophobicContact CE1-CD2 3.81Å; F57-F83 HydrophobicContact CE1-CE2 4.28Å; F57-F122 HydrophobicContact CD2-CZ 4.31Å; F57-F122 HydrophobicContact CE2-CE1 4.36Å; F57-F122 HydrophobicContact CE2-CZ 4.03Å; F57-W129 HydrophobicContact CB-CZ3 4.42Å; F57-L131 HydrophobicContact CE1-CD2 3.93Å; F57-L131 HydrophobicContact CE2-CD2 4.17Å; F57-L131 HydrophobicContact CZ-CD2 3.46Å; F57-L131 VanDerWaalsContact CZ-CD2 3.46Å; F57-L131 HydrophobicContact CZ-CG 4.45Å
58	E	95.2	Very high	88	Confident	60 Å²	60	64.2 Å²	64.2	28%	0.28	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	130.3	168	62.6	-168.1	173.2	0	0	109.7	M74 R75	E58-M74 WeakPolarHBondContact O-CA 3.39Å; E58-R75 HydrophobicContact CG-CB 3.98Å; E58-R75 PolarHBondContact N-O 2.87Å; E58-R75 PolarHBondContact O-N 3.18Å; E58-R75 IonicContact OE1-CZ 3.74Å; E58-R75 IonicContact OE1-NE 3.84Å; E58-R75 PolarHBondContact OE1-NE 3.27Å; E58-R75 IonicContact OE1-NH2 3.46Å; E58-R75 PolarHBondContact OE1-NH2 2.57Å
59	D	86.8	Confident	87.5	Confident	101 Å²	101	61.1 Å²	61.1	54%	0.54	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	135.9	175.6	-80.6	-45.9	0	0	0	109.9	M74 K87	D59-M74 HydrophobicContact CB-CE 4.44Å; D59-M74 WeakPolarHBondContact OD1-CE 3.33Å; D59-M74 WeakPolarHBondContact OD1-CG 3.45Å; D59-K87 IonicContact OD1-NZ 3.61Å; D59-K87 PolarHBondContact OD1-NZ 3.28Å; D59-K87 IonicContact OD2-NZ 2.76Å; D59-K87 PolarHBondContact OD2-NZ 2.74Å
60	T	90.3	Very high	87.4	Confident	59 Å²	59	59.6 Å²	59.6	36%	0.362	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	-49.3	178.4	66.2	0	0	0	0	112.1	K73 R75	T60-K73 PolarHBondContact N-O 2.98Å; T60-K73 VanDerWaalsContact OG1-C 3.31Å; T60-K73 VanDerWaalsContact OG1-CB 3.29Å; T60-K73 WeakPolarHBondContact OG1-CB 3.48Å; T60-K73 WeakPolarHBondContact OG1-CD 3.17Å; T60-K73 WeakPolarHBondContact OG1-CG 3.32Å; T60-K73 PolarHBondContact OG1-O 3.3Å; T60-R75 HydrophobicContact CG2-CB 4.03Å
61	C	92.4	Very high	87.4	Confident	63 Å²	63	59.3 Å²	59.3	43%	0.426	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160	159.5	172.7	61	0	0	0	0	111.3	S72 K73	C61-S72 CarbonylContact O-C 3.59Å; C61-S72 WeakPolarHBondContact O-CA 3.12Å; C61-K73 PolarHBondContact N-O 3.41Å; C61-K73 PolarHBondContact O-N 2.92Å
62	I	92.6	Very high	87.5	Confident	100 Å²	100	54.9 Å²	54.9	51%	0.513	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	131.3	170	-61.1	163.5	0	0	0	108	E65 Q70	I62-E65 HydrophobicContact CG2-CG 4.27Å; I62-Q70 HydrophobicContact CG2-CG 3.99Å
63	L	90.4	Very high	87.6	Confident	82 Å²	82	58 Å²	58	43%	0.429	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	-33.5	176.9	-64.4	175	0	0	0	111.8	V71 K73 A84 L134	L63-V71 WeakPolarHBondContact CA-O 3.29Å; L63-V71 HydrophobicContact CB-CG1 4.28Å; L63-V71 HydrophobicContact CD1-CG1 4.24Å; L63-V71 PolarHBondContact N-O 3.36Å; L63-K73 HydrophobicContact CD1-CB 3.94Å; L63-K73 HydrophobicContact CD2-CB 4.02Å; L63-K73 HydrophobicContact CG-CB 3.94Å; L63-A84 HydrophobicContact CD1-CB 3.94Å; L63-L134 HydrophobicContact CD1-CD1 3.63Å
64	G	83.5	Confident	87.7	Confident	30 Å²	30	56.2 Å²	56.2	31%	0.309	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.5	162.2	178	0	0	0	0	0	112.6	V71	G64-V71 PolarHBondContact N-O 3.29Å; G64-V71 VanDerWaalsContact N-O 3.14Å; G64-V71 PolarHBondContact O-N 3.06Å
65	E	81.5	Confident	87.9	Confident	144 Å²	144	60.5 Å²	60.5	67%	0.673	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.7	132.5	174.4	-72.4	178.2	-176	0	0	108.1	I62 Q70	I62-E65 HydrophobicContact CG2-CG 4.27Å; E65-Q70 HydrophobicContact CG-CB 4.19Å; E65-Q70 HydrophobicContact CG-CG 3.87Å; E65-Q70 PolarHBondContact OE1-NE2 2.89Å
66	G	69.8	Low	87.9	Confident	53 Å²	53	55 Å²	55	55%	0.546	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	-178.3	-179.7	0	0	0	0	0	111.5	F68 G69	G66-F68 PolarHBondContact O-N 2.73Å; G66-F68 VanDerWaalsContact O-N 3.17Å; G66-G69 PolarHBondContact N-O 3.39Å; G66-G69 PolarHBondContact O-N 2.7Å; G66-G69 VanDerWaalsContact O-N 3.08Å
67	F	64.8	Low	87.9	Confident	111 Å²	111	56.8 Å²	56.8	49%	0.487	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-39.4	-175.5	-173.6	-96.4	0	0	0	113.3	L207	F67-L207 HydrophobicContact CD1-CD2 4.17Å; F67-L207 HydrophobicContact CE1-CD2 3.86Å; F67-L207 HydrophobicContact CZ-CD2 4.45Å
68	F	68	Low	87.8	Confident	12 Å²	12	60.4 Å²	60.4	5%	0.053	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-13.9	-177.1	-60.5	-68.6	0	0	0	114.3	G66 I88 P89 N92 M100 T203 L207	G66-F68 PolarHBondContact O-N 2.73Å; G66-F68 VanDerWaalsContact O-N 3.17Å; F68-I88 WeakPolarHBondContact O-CG2 3.49Å; F68-P89 WeakPolarHBondContact O-CD 3.45Å; F68-N92 PolarHBondContact O-ND2 3.23Å; F68-M100 HydrophobicContact CD1-CE 3.47Å; F68-M100 VanDerWaalsContact CD1-CE 3.47Å; F68-M100 HydrophobicContact CE1-CE 3.57Å; F68-T203 HydrophobicContact CE2-CG2 3.77Å; F68-T203 HydrophobicContact CZ-CG2 4.33Å; F68-L207 HydrophobicContact CZ-CD1 4.36Å; F68-L207 HydrophobicContact CZ-CD2 4.12Å; F68-L207 HydrophobicContact CZ-CG 4.19Å
69	G	78	Confident	87.7	Confident	17 Å²	17	59.9 Å²	59.9	18%	0.175	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	147.2	-158.4	-178.6	0	0	0	0	0	113.6	G66 K87	G66-G69 PolarHBondContact N-O 3.39Å; G66-G69 PolarHBondContact O-N 2.7Å; G66-G69 VanDerWaalsContact O-N 3.08Å; G69-K87 WeakPolarHBondContact CA-O 3.47Å
70	Q	88.3	Confident	88	Confident	54 Å²	54	61.1 Å²	61.1	25%	0.252	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	140.3	-172.8	-177.6	-179.6	69	0	0	110.7	I62 E65 K87	I62-Q70 HydrophobicContact CG2-CG 3.99Å; E65-Q70 HydrophobicContact CG-CB 4.19Å; E65-Q70 HydrophobicContact CG-CG 3.87Å; E65-Q70 PolarHBondContact OE1-NE2 2.89Å; Q70-K87 PolarHBondContact N-O 2.94Å; Q70-K87 PolarHBondContact O-N 2.84Å
71	V	91.6	Very high	88.2	Confident	38 Å²	38	61.3 Å²	61.3	23%	0.23	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	122.3	170	-173.4	0	0	0	0	108.5	L63 G64 A84 V85 K86	L63-V71 WeakPolarHBondContact CA-O 3.29Å; L63-V71 HydrophobicContact CB-CG1 4.28Å; L63-V71 HydrophobicContact CD1-CG1 4.24Å; L63-V71 PolarHBondContact N-O 3.36Å; G64-V71 PolarHBondContact N-O 3.29Å; G64-V71 VanDerWaalsContact N-O 3.14Å; G64-V71 PolarHBondContact O-N 3.06Å; V71-A84 HydrophobicContact CG1-CB 4.16Å; V71-V85 WeakPolarHBondContact CA-O 3.39Å; V71-K86 HydrophobicContact CG2-CB 4.09Å; V71-K86 HydrophobicContact CG2-CG 4.04Å
72	S	94.5	Very high	88.3	Confident	2 Å²	2	60.4 Å²	60.4	1%	0.014	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	144.5	178.4	-60.1	0	0	0	0	111	C61 M74 V85	C61-S72 CarbonylContact O-C 3.59Å; C61-S72 WeakPolarHBondContact O-CA 3.12Å; S72-M74 PolarHBondContact O-N 3.48Å; S72-V85 PolarHBondContact N-O 3.38Å; S72-V85 PolarHBondContact O-N 3.33Å
73	K	96.5	Very high	88.5	Confident	67 Å²	67	55.9 Å²	55.9	29%	0.291	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	121.9	165	-175.5	-178	174.8	170.3	0	107.8	T60 C61 L63 F83 L134	T60-K73 PolarHBondContact N-O 2.98Å; T60-K73 VanDerWaalsContact OG1-C 3.31Å; T60-K73 VanDerWaalsContact OG1-CB 3.29Å; T60-K73 WeakPolarHBondContact OG1-CB 3.48Å; T60-K73 WeakPolarHBondContact OG1-CD 3.17Å; T60-K73 WeakPolarHBondContact OG1-CG 3.32Å; T60-K73 PolarHBondContact OG1-O 3.3Å; C61-K73 PolarHBondContact N-O 3.41Å; C61-K73 PolarHBondContact O-N 2.92Å; L63-K73 HydrophobicContact CD1-CB 3.94Å; L63-K73 HydrophobicContact CD2-CB 4.02Å; L63-K73 HydrophobicContact CG-CB 3.94Å; K73-F83 WeakPolarHBondContact CA-O 3.38Å; K73-L134 HydrophobicContact CB-CD1 4.43Å; K73-L134 HydrophobicContact CD-CD1 4.42Å; K73-L134 HydrophobicContact CD-CD2 3.99Å; K73-L134 HydrophobicContact CG-CD1 4.06Å; K73-L134 HydrophobicContact CG-CD2 4.06Å
74	M	97.1	Very high	88.7	Confident	3 Å²	3	52.4 Å²	52.4	2%	0.015	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	148.8	178.1	-55.8	-168.3	76.5	0	0	110.3	F57 E58 D59 S72 S82 F83 V85 K87 W129	F57-M74 HydrophobicContact CB-CB 4.19Å; F57-M74 HydrophobicContact CB-CE 3.63Å; F57-M74 HydrophobicContact CB-SD 4.32Å; F57-M74 HydrophobicContact CD1-CB 4.2Å; E58-M74 WeakPolarHBondContact O-CA 3.39Å; D59-M74 HydrophobicContact CB-CE 4.44Å; D59-M74 WeakPolarHBondContact OD1-CE 3.33Å; D59-M74 WeakPolarHBondContact OD1-CG 3.45Å; S72-M74 PolarHBondContact O-N 3.48Å; M74-S82 CarbonylContact O-C 3.54Å; M74-S82 VanDerWaalsContact O-CA 3.31Å; M74-S82 WeakPolarHBondContact O-CA 3.28Å; M74-F83 PolarHBondContact N-O 3.27Å; M74-F83 PolarHBondContact O-N 3.06Å; M74-V85 HydrophobicContact CB-CG2 3.81Å; M74-V85 HydrophobicContact CG-CB 3.97Å; M74-V85 HydrophobicContact CG-CG2 3.73Å; M74-V85 HydrophobicContact SD-CB 3.67Å; M74-V85 HydrophobicContact SD-CG1 3.87Å; M74-V85 HydrophobicContact SD-CG2 3.65Å; M74-K87 VanDerWaalsContact SD-CE 3.6Å; M74-W129 HydrophobicContact CE-CH2 3.45Å; M74-W129 VanDerWaalsContact CE-CH2 3.45Å; M74-W129 HydrophobicContact CE-CZ3 3.49Å; M74-W129 VanDerWaalsContact CE-CZ3 3.49Å; M74-W129 HydrophobicContact SD-CE3 4.09Å; M74-W129 HydrophobicContact SD-CH2 3.78Å; M74-W129 HydrophobicContact SD-CZ3 3.48Å; M74-W129 WeakPolarHBondContact SD-CZ3 3.42Å
75	R	97.1	Very high	89.1	Confident	93 Å²	93	51 Å²	51	35%	0.351	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	129.6	178.2	-177	167.9	61.1	-143.1	-4.6	110.1	F57 E58 T60 K77 K80 E81	F57-R75 WeakPolarHBondContact CA-O 3.29Å; E58-R75 HydrophobicContact CG-CB 3.98Å; E58-R75 PolarHBondContact N-O 2.87Å; E58-R75 PolarHBondContact O-N 3.18Å; E58-R75 IonicContact OE1-CZ 3.74Å; E58-R75 IonicContact OE1-NE 3.84Å; E58-R75 PolarHBondContact OE1-NE 3.27Å; E58-R75 IonicContact OE1-NH2 3.46Å; E58-R75 PolarHBondContact OE1-NH2 2.57Å; T60-R75 HydrophobicContact CG2-CB 4.03Å; R75-K77 PolarHBondContact O-N 2.76Å; R75-K80 WeakPolarHBondContact CD-O 3.43Å; R75-K80 WeakPolarHBondContact CG-O 3.35Å; R75-E81 CarbonylContact C-O 3.59Å; R75-E81 WeakPolarHBondContact CA-O 3.44Å
76	L	96.1	Very high	89.6	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	122.2	172.5	-179.8	58.4	0	0	0	109	L43 I45 V52 D56 F57 S78 T79 K80 E81 F83	L43-L76 HydrophobicContact CD2-CD2 4.06Å; I45-L76 HydrophobicContact CD1-CD2 3.58Å; V52-L76 HydrophobicContact CG1-CD1 3.9Å; V52-L76 HydrophobicContact CG1-CD2 4.22Å; D56-L76 HydrophobicContact CB-CD1 3.81Å; F57-L76 HydrophobicContact CD1-CB 4.2Å; F57-L76 HydrophobicContact CD1-CD1 4.46Å; F57-L76 HydrophobicContact CE1-CB 3.78Å; F57-L76 HydrophobicContact CE1-CD1 3.98Å; F57-L76 HydrophobicContact CE1-CG 4.39Å; F57-L76 HydrophobicContact CE2-CD1 4.17Å; F57-L76 HydrophobicContact CZ-CB 4.38Å; F57-L76 HydrophobicContact CZ-CD1 3.78Å; L76-S78 VanDerWaalsContact C-N 3.3Å; L76-S78 WeakPolarHBondContact CG-OG 3.13Å; L76-S78 PolarHBondContact O-N 2.84Å; L76-T79 HydrophobicContact CD2-CG2 4.05Å; L76-T79 WeakPolarHBondContact CD2-OG1 3.43Å; L76-K80 VanDerWaalsContact O-CA 3.22Å; L76-K80 WeakPolarHBondContact O-CA 3.42Å; L76-K80 PolarHBondContact O-N 3.38Å; L76-E81 PolarHBondContact N-O 3.49Å; L76-F83 HydrophobicContact CB-CD2 4.49Å; L76-F83 HydrophobicContact CB-CE2 3.99Å
77	K	96.1	Very high	90.5	Very high	95 Å²	95	43.5 Å²	43.5	41%	0.413	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-36	-171.6	-73.2	168.3	-175.2	166.5	0	113.2	D55 D56 F57 R75 K80	D55-K77 PolarHBondContact O-NZ 3.11Å; D56-K77 WeakPolarHBondContact O-CB 3.23Å; D56-K77 VanDerWaalsContact O-CG 3.24Å; D56-K77 WeakPolarHBondContact O-CG 3.31Å; D56-K77 PolarHBondContact O-N 2.9Å; F57-K77 WeakPolarHBondContact O-CE 3.35Å; R75-K77 PolarHBondContact O-N 2.76Å; K77-K80 WeakPolarHBondContact O-CE 3.06Å; K77-K80 PolarHBondContact O-NZ 2.98Å
78	S	93.8	Very high	91.5	Very high	85 Å²	85	38.2 Å²	38.2	59%	0.594	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-43.4	-175	54.7	0	0	0	0	113.4	L76	L76-S78 VanDerWaalsContact C-N 3.3Å; L76-S78 WeakPolarHBondContact CG-OG 3.13Å; L76-S78 PolarHBondContact O-N 2.84Å
79	T	93	Very high	92.3	Very high	49 Å²	49	39.7 Å²	39.7	30%	0.301	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-14.8	-176.2	65.5	0	0	0	0	113.6	I45 I50 L76 E81	I45-T79 HydrophobicContact CD1-CG2 4.1Å; I50-T79 HydrophobicContact CD1-CG2 3.8Å; L76-T79 HydrophobicContact CD2-CG2 4.05Å; L76-T79 WeakPolarHBondContact CD2-OG1 3.43Å; T79-E81 PolarHBondContact O-N 3.42Å; T79-E81 WeakPolarHBondContact OG1-CB 3.24Å; T79-E81 WeakPolarHBondContact OG1-CG 3.2Å; T79-E81 PolarHBondContact OG1-N 3.31Å
80	K	93.2	Very high	92.5	Very high	126 Å²	126	42.5 Å²	42.5	55%	0.548	21%	0.214	S	C	.	.			trans	63.4	9.2	-169.7	-52.7	-54.3	-173.9	-162.3	0	114.8	R75 L76 K77	R75-K80 WeakPolarHBondContact CD-O 3.43Å; R75-K80 WeakPolarHBondContact CG-O 3.35Å; L76-K80 VanDerWaalsContact O-CA 3.22Å; L76-K80 WeakPolarHBondContact O-CA 3.42Å; L76-K80 PolarHBondContact O-N 3.38Å; K77-K80 WeakPolarHBondContact O-CE 3.06Å; K77-K80 PolarHBondContact O-NZ 2.98Å
81	E	93.8	Very high	92	Very high	63 Å²	63	45.4 Å²	45.4	29%	0.294	24%	0.239	S	C	.	.			trans	-70	147.3	173.7	-67.3	-169.9	173.7	0	0	111.8	I45 N46 R75 L76 T79 F83	I45-E81 WeakPolarHBondContact CD1-OE2 3.13Å; I45-E81 WeakPolarHBondContact CG1-OE2 3.12Å; I45-E81 WeakPolarHBondContact CG2-OE1 3.37Å; I45-E81 WeakPolarHBondContact CG2-OE2 3.45Å; N46-E81 PolarHBondContact ND2-OE1 3.4Å; R75-E81 CarbonylContact C-O 3.59Å; R75-E81 WeakPolarHBondContact CA-O 3.44Å; L76-E81 PolarHBondContact N-O 3.49Å; T79-E81 PolarHBondContact O-N 3.42Å; T79-E81 WeakPolarHBondContact OG1-CB 3.24Å; T79-E81 WeakPolarHBondContact OG1-CG 3.2Å; T79-E81 PolarHBondContact OG1-N 3.31Å; E81-F83 HydrophobicContact CB-CE2 3.79Å; E81-F83 HydrophobicContact CB-CZ 4.01Å
82	S	95.6	Very high	91.2	Very high	44 Å²	44	46.8 Å²	46.8	31%	0.308	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	140.8	-176.8	-59.1	0	0	0	0	111.7	M74	M74-S82 CarbonylContact O-C 3.54Å; M74-S82 VanDerWaalsContact O-CA 3.31Å; M74-S82 WeakPolarHBondContact O-CA 3.28Å
83	F	95.1	Very high	90.1	Very high	6 Å²	6	48 Å²	48	3%	0.026	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	154.2	-178	-59.3	-88.6	0	0	0	109.9	L43 I45 F57 K73 M74 L76 E81 V85 Y119	L43-F83 HydrophobicContact CD1-CE1 4.19Å; L43-F83 HydrophobicContact CD2-CE1 4.25Å; L43-F83 HydrophobicContact CD2-CE2 4.18Å; L43-F83 HydrophobicContact CD2-CZ 3.83Å; I45-F83 HydrophobicContact CD1-CZ 3.95Å; I45-F83 HydrophobicContact CG1-CZ 4.22Å; F57-F83 AromaticContact CE1-CD2 3.81Å; F57-F83 HydrophobicContact CE1-CD2 3.81Å; F57-F83 HydrophobicContact CE1-CE2 4.28Å; K73-F83 WeakPolarHBondContact CA-O 3.38Å; M74-F83 PolarHBondContact N-O 3.27Å; M74-F83 PolarHBondContact O-N 3.06Å; L76-F83 HydrophobicContact CB-CD2 4.49Å; L76-F83 HydrophobicContact CB-CE2 3.99Å; E81-F83 HydrophobicContact CB-CE2 3.79Å; E81-F83 HydrophobicContact CB-CZ 4.01Å; F83-V85 HydrophobicContact CB-CG2 4.39Å; F83-Y119 AromaticContact CD1-CD2 3.75Å; F83-Y119 HydrophobicContact CD1-CD2 3.75Å; F83-Y119 AromaticContact CD1-CE2 3.65Å; F83-Y119 HydrophobicContact CD1-CE2 3.65Å; F83-Y119 AromaticContact CE1-CD2 3.97Å; F83-Y119 HydrophobicContact CE1-CD2 3.97Å; F83-Y119 AromaticContact CE1-CE2 3.81Å; F83-Y119 HydrophobicContact CE1-CE2 3.81Å
84	A	94.9	Very high	88.6	Confident	8 Å²	8	47.1 Å²	47.1	7%	0.066	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	130.2	160.1	0	0	0	0	0	107.9	L63 V71 L132 L134	L63-A84 HydrophobicContact CD1-CB 3.94Å; V71-A84 HydrophobicContact CG1-CB 4.16Å; A84-L132 HydrophobicContact CB-CB 4.16Å; A84-L132 PolarHBondContact N-O 3.06Å; A84-L132 PolarHBondContact O-N 3.45Å; A84-L134 HydrophobicContact CB-CD1 4.12Å
85	V	93.3	Very high	86.9	Confident	0 Å²	0	51 Å²	51	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	110.5	-179.2	-179.2	0	0	0	0	108.5	V71 S72 M74 F83 K87 W129 I130 L131	V71-V85 WeakPolarHBondContact CA-O 3.39Å; S72-V85 PolarHBondContact N-O 3.38Å; S72-V85 PolarHBondContact O-N 3.33Å; M74-V85 HydrophobicContact CB-CG2 3.81Å; M74-V85 HydrophobicContact CG-CB 3.97Å; M74-V85 HydrophobicContact CG-CG2 3.73Å; M74-V85 HydrophobicContact SD-CB 3.67Å; M74-V85 HydrophobicContact SD-CG1 3.87Å; M74-V85 HydrophobicContact SD-CG2 3.65Å; F83-V85 HydrophobicContact CB-CG2 4.39Å; V85-K87 HydrophobicContact CG1-CG 4.09Å; V85-W129 HydrophobicContact CG1-CB 3.96Å; V85-W129 HydrophobicContact CG1-CD2 3.82Å; V85-W129 HydrophobicContact CG1-CE3 3.68Å; V85-W129 HydrophobicContact CG1-CG 3.98Å; V85-W129 HydrophobicContact CG1-CZ3 4.45Å; V85-I130 WeakPolarHBondContact CA-O 3.42Å; V85-L131 HydrophobicContact CG1-CD1 4.14Å; V85-L131 HydrophobicContact CG2-CD1 3.89Å; V85-L131 HydrophobicContact CG2-CG 4.12Å
86	K	90.5	Very high	85.1	Confident	13 Å²	13	56.6 Å²	56.6	6%	0.057	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	113	172.9	-175.1	172.9	-179.4	-179.7	0	108.5	V71 I88 D103 W129 I130 L132 D200	V71-K86 HydrophobicContact CG2-CB 4.09Å; V71-K86 HydrophobicContact CG2-CG 4.04Å; K86-I88 HydrophobicContact CD-CD1 4.44Å; K86-I88 HydrophobicContact CG-CD1 4.47Å; K86-I88 HydrophobicContact CG-CG1 4.11Å; K86-D103 WeakPolarHBondContact CD-OD2 3.39Å; K86-D103 IonicContact NZ-OD2 2.74Å; K86-D103 PolarHBondContact NZ-OD2 3.34Å; K86-W129 WeakPolarHBondContact O-CA 3.46Å; K86-I130 HydrophobicContact CB-CB 4.35Å; K86-I130 PolarHBondContact N-O 2.86Å; K86-I130 PolarHBondContact O-N 3.2Å; K86-L132 HydrophobicContact CB-CD1 4.05Å; K86-D200 IonicContact NZ-OD1 3.66Å; K86-D200 PolarHBondContact NZ-OD1 2.9Å
87	K	89.9	Confident	83.4	Confident	27 Å²	27	58 Å²	58	12%	0.117	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	110.2	-179.9	-53.9	-179.9	-174	175.4	0	108.2	D59 G69 Q70 M74 V85 V128 W129	D59-K87 IonicContact OD1-NZ 3.61Å; D59-K87 PolarHBondContact OD1-NZ 3.28Å; D59-K87 IonicContact OD2-NZ 2.76Å; D59-K87 PolarHBondContact OD2-NZ 2.74Å; G69-K87 WeakPolarHBondContact CA-O 3.47Å; Q70-K87 PolarHBondContact N-O 2.94Å; Q70-K87 PolarHBondContact O-N 2.84Å; M74-K87 VanDerWaalsContact SD-CE 3.6Å; V85-K87 HydrophobicContact CG1-CG 4.09Å; K87-V128 WeakPolarHBondContact CA-O 3.45Å; K87-W129 HydrophobicContact CD-CZ2 3.86Å; K87-W129 HydrophobicContact CG-CD2 4.27Å; K87-W129 HydrophobicContact CG-CG 4.28Å; K87-W129 HydrophobicContact CG-CZ2 4.39Å
88	I	85.3	Confident	81.3	Confident	1 Å²	1	57.1 Å²	57.1	1%	0.005	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	107.1	179.7	-55.6	175.9	0	0	0	108.1	F68 K86 N92 L93 S127 V128 I130	F68-I88 WeakPolarHBondContact O-CG2 3.49Å; K86-I88 HydrophobicContact CD-CD1 4.44Å; K86-I88 HydrophobicContact CG-CD1 4.47Å; K86-I88 HydrophobicContact CG-CG1 4.11Å; I88-N92 HydrophobicContact CG2-CB 4.48Å; I88-L93 HydrophobicContact CG2-CD2 3.56Å; I88-L93 HydrophobicContact CG2-CG 3.93Å; I88-S127 CarbonylContact O-C 3.47Å; I88-S127 VanDerWaalsContact O-CA 3.23Å; I88-S127 WeakPolarHBondContact O-CA 3.23Å; I88-S127 WeakPolarHBondContact O-CB 3.45Å; I88-V128 PolarHBondContact N-O 3.03Å; I88-V128 PolarHBondContact O-N 3.27Å; I88-I130 HydrophobicContact CD1-CD1 3.85Å
89	P	85.3	Confident	79.6	Confident	42 Å²	42	56 Å²	56	27%	0.273	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.5	142.2	177.1	-25.2	35.2	0	0	0	111.8	F68 C91 N92 L93	F68-P89 WeakPolarHBondContact O-CD 3.45Å; P89-C91 PolarHBondContact O-N 3.47Å; P89-N92 WeakPolarHBondContact O-CB 3.38Å; P89-N92 PolarHBondContact O-N 3.4Å; P89-L93 PolarHBondContact O-N 3.27Å
90	F	82.6	Confident	77.9	Confident	76 Å²	76	54.1 Å²	54.1	33%	0.333	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-60	-31	179.4	-63.6	-35.9	0	0	0	113.1	N92 L93 T123 V125 D126 S127 V128	F90-N92 PolarHBondContact O-N 2.92Å; F90-L93 HydrophobicContact CD1-CD1 4.02Å; F90-L93 PolarHBondContact O-N 2.98Å; F90-L93 VanDerWaalsContact O-N 3.11Å; F90-T123 HydrophobicContact CE1-CG2 4.02Å; F90-T123 HydrophobicContact CZ-CG2 3.97Å; F90-V125 WeakPolarHBondContact CE2-O 3.04Å; F90-D126 HydrophobicContact CD2-CB 4.37Å; F90-D126 WeakPolarHBondContact CD2-O 3.32Å; F90-D126 VanDerWaalsContact CE2-C 3.45Å; F90-D126 VanDerWaalsContact CE2-CA 3.49Å; F90-D126 WeakPolarHBondContact CG-O 3.33Å; F90-D126 PolarHBondContact N-O 3.24Å; F90-S127 WeakPolarHBondContact CE1-O 3.26Å; F90-V128 HydrophobicContact CD1-CG2 4.2Å; F90-V128 HydrophobicContact CE1-CG2 3.81Å
91	C	77.7	Confident	76.5	Confident	116 Å²	116	48.5 Å²	48.5	78%	0.784	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	-65.8	-21.2	175.4	57.1	0	0	0	0	113.6	P89	P89-C91 PolarHBondContact O-N 3.47Å
92	N	74.2	Confident	74.9	Confident	67 Å²	67	45.6 Å²	45.6	36%	0.358	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-88.3	-13.5	175.5	-68.8	-1.3	0	0	0	112.1	F68 I88 P89 F90 M100	F68-N92 PolarHBondContact O-ND2 3.23Å; I88-N92 HydrophobicContact CG2-CB 4.48Å; P89-N92 WeakPolarHBondContact O-CB 3.38Å; P89-N92 PolarHBondContact O-N 3.4Å; F90-N92 PolarHBondContact O-N 2.92Å; N92-M100 WeakPolarHBondContact O-CE 3.24Å
93	L	70.3	Confident	73.2	Confident	26 Å²	26	43.7 Å²	43.7	14%	0.136	23%	0.232	C	C	.	.			trans	-81.7	120.1	176.3	-65.2	174.2	0	0	0	109.6	V34 I88 P89 F90 P95 M100 V128	V34-L93 HydrophobicContact CG2-CD1 4.43Å; I88-L93 HydrophobicContact CG2-CD2 3.56Å; I88-L93 HydrophobicContact CG2-CG 3.93Å; P89-L93 PolarHBondContact O-N 3.27Å; F90-L93 HydrophobicContact CD1-CD1 4.02Å; F90-L93 PolarHBondContact O-N 2.98Å; F90-L93 VanDerWaalsContact O-N 3.11Å; L93-P95 VanDerWaalsContact O-CD 3.3Å; L93-P95 WeakPolarHBondContact O-CD 3.48Å; L93-M100 HydrophobicContact CD2-CB 3.85Å; L93-M100 HydrophobicContact CD2-CE 4.32Å; L93-M100 HydrophobicContact CD2-SD 4.46Å; L93-V128 HydrophobicContact CD1-CB 4.47Å; L93-V128 HydrophobicContact CD1-CG2 3.62Å
94	D	65.6	Low	71.8	Confident	49 Å²	49	44.9 Å²	44.9	26%	0.262	24%	0.239	S	C	.	.			trans	-81.7	113.6	166.2	-171.4	-17	0	0	0	108.5	R96 N97 M100	D94-R96 PolarHBondContact O-N 3.48Å; D94-R96 WeakPolarHBondContact OD1-CB 3.3Å; D94-R96 WeakPolarHBondContact OD1-CG 3.5Å; D94-R96 IonicContact OD1-CZ 3.32Å; D94-R96 PolarHBondContact OD1-N 3.35Å; D94-R96 IonicContact OD1-NE 2.66Å; D94-R96 PolarHBondContact OD1-NE 2.97Å; D94-R96 IonicContact OD1-NH2 2.94Å; D94-R96 IonicContact OD2-CZ 2.95Å; D94-R96 IonicContact OD2-NE 2.69Å; D94-R96 PolarHBondContact OD2-NE 3.28Å; D94-R96 VanDerWaalsContact OD2-NE 3.15Å; D94-R96 IonicContact OD2-NH2 2.71Å; D94-R96 PolarHBondContact OD2-NH2 3.25Å; D94-N97 HydrophobicContact CB-CB 3.99Å; D94-N97 CarbonylContact O-C 3.52Å; D94-N97 WeakPolarHBondContact O-CA 3.31Å; D94-N97 PolarHBondContact O-N 3.39Å; D94-M100 HydrophobicContact CB-SD 3.96Å; D94-M100 PolarHBondContact N-SD 3.15Å
95	P	61.4	Low	70.2	Confident	85 Å²	85	50.1 Å²	50.1	55%	0.552	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-18	178.1	-19	32.1	0	0	0	113.2	L93 N97	L93-P95 VanDerWaalsContact O-CD 3.3Å; L93-P95 WeakPolarHBondContact O-CD 3.48Å; P95-N97 VanDerWaalsContact C-N 3.26Å
96	R	59.5	Low	68.7	Low	211 Å²	211	50.3 Å²	50.3	80%	0.796	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-12.1	174.4	-54.7	169	-65.5	-178.9	5.2	111.9	D94 P98	D94-R96 PolarHBondContact O-N 3.48Å; D94-R96 WeakPolarHBondContact OD1-CB 3.3Å; D94-R96 WeakPolarHBondContact OD1-CG 3.5Å; D94-R96 IonicContact OD1-CZ 3.32Å; D94-R96 PolarHBondContact OD1-N 3.35Å; D94-R96 IonicContact OD1-NE 2.66Å; D94-R96 PolarHBondContact OD1-NE 2.97Å; D94-R96 IonicContact OD1-NH2 2.94Å; D94-R96 IonicContact OD2-CZ 2.95Å; D94-R96 IonicContact OD2-NE 2.69Å; D94-R96 PolarHBondContact OD2-NE 3.28Å; D94-R96 VanDerWaalsContact OD2-NE 3.15Å; D94-R96 IonicContact OD2-NH2 2.71Å; D94-R96 PolarHBondContact OD2-NH2 3.25Å; R96-P98 WeakPolarHBondContact O-CD 3.45Å
97	N	60.6	Low	67.2	Low	28 Å²	28	49.9 Å²	49.9	15%	0.15	26%	0.262	C	S	.	.			trans	-119.7	76.8	177.9	-159.5	-51.1	0	0	0	110.1	D94 P95 D99 M100 T206	D94-N97 HydrophobicContact CB-CB 3.99Å; D94-N97 CarbonylContact O-C 3.52Å; D94-N97 WeakPolarHBondContact O-CA 3.31Å; D94-N97 PolarHBondContact O-N 3.39Å; P95-N97 VanDerWaalsContact C-N 3.26Å; N97-D99 PolarHBondContact O-N 2.68Å; N97-D99 WeakPolarHBondContact OD1-CB 3.02Å; N97-D99 PolarHBondContact OD1-N 3.48Å; N97-M100 HydrophobicContact CB-CG 4.06Å; N97-M100 HydrophobicContact CB-SD 4.44Å; N97-M100 WeakPolarHBondContact O-CG 3.28Å; N97-M100 PolarHBondContact O-N 2.83Å; N97-M100 PolarHBondContact OD1-N 3.44Å; N97-T206 HydrophobicContact CB-CG2 4.07Å; N97-T206 VanDerWaalsContact CG-CG2 3.44Å; N97-T206 VanDerWaalsContact ND2-CB 3.26Å; N97-T206 WeakPolarHBondContact ND2-CB 3.42Å; N97-T206 WeakPolarHBondContact ND2-CG2 3.43Å; N97-T206 PolarHBondContact ND2-OG1 2.82Å; N97-T206 PolarHBondContact OD1-OG1 2.96Å
98	P	52.6	Low	66.2	Low	77 Å²	77	53.6 Å²	53.6	50%	0.5	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-59.6	-19.2	177.8	27.6	-34.9	0	0	0	112.3	R96 M100	R96-P98 WeakPolarHBondContact O-CD 3.45Å; P98-M100 PolarHBondContact O-N 3.48Å
99	D	57	Low	65.1	Low	62 Å²	62	59.1 Å²	59.1	33%	0.332	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-75.8	-1	-178	-46.1	-50.9	0	0	0	113	N97 I101 A102 V205	N97-D99 PolarHBondContact O-N 2.68Å; N97-D99 WeakPolarHBondContact OD1-CB 3.02Å; N97-D99 PolarHBondContact OD1-N 3.48Å; D99-I101 PolarHBondContact O-N 2.86Å; D99-I101 VanDerWaalsContact O-N 3.11Å; D99-A102 WeakPolarHBondContact O-CB 3.33Å; D99-A102 PolarHBondContact O-N 2.74Å; D99-V205 HydrophobicContact CB-CB 3.6Å; D99-V205 HydrophobicContact CB-CG1 3.58Å; D99-V205 HydrophobicContact CB-CG2 3.77Å; D99-V205 WeakPolarHBondContact OD2-CG1 3.48Å
100	M	58.3	Low	64.2	Low	10 Å²	10	60.6 Å²	60.6	5%	0.049	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-63.3	-12.6	171.2	-69	-166.9	67.7	0	0	113.7	F68 N92 L93 D94 N97 P98 T206	F68-M100 HydrophobicContact CD1-CE 3.47Å; F68-M100 VanDerWaalsContact CD1-CE 3.47Å; F68-M100 HydrophobicContact CE1-CE 3.57Å; N92-M100 WeakPolarHBondContact O-CE 3.24Å; L93-M100 HydrophobicContact CD2-CB 3.85Å; L93-M100 HydrophobicContact CD2-CE 4.32Å; L93-M100 HydrophobicContact CD2-SD 4.46Å; D94-M100 HydrophobicContact CB-SD 3.96Å; D94-M100 PolarHBondContact N-SD 3.15Å; N97-M100 HydrophobicContact CB-CG 4.06Å; N97-M100 HydrophobicContact CB-SD 4.44Å; N97-M100 WeakPolarHBondContact O-CG 3.28Å; N97-M100 PolarHBondContact O-N 2.83Å; N97-M100 PolarHBondContact OD1-N 3.44Å; P98-M100 PolarHBondContact O-N 3.48Å; M100-T206 HydrophobicContact CG-CG2 4.22Å; M100-T206 HydrophobicContact SD-CG2 4.49Å
101	I	62.5	Low	63.9	Low	7 Å²	7	61.7 Å²	61.7	4%	0.036	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-106.5	27.2	170	-39.4	-169.7	0	0	0	111.2	V34 L37 D99 D103 L104 E105 V128 I130	V34-I101 HydrophobicContact CB-CD1 3.6Å; V34-I101 HydrophobicContact CG1-CD1 3.84Å; V34-I101 HydrophobicContact CG1-CG1 4.49Å; V34-I101 HydrophobicContact CG2-CD1 3.22Å; V34-I101 HydrophobicContact CG2-CG1 3.96Å; L37-I101 HydrophobicContact CD1-CD1 3.47Å; L37-I101 VanDerWaalsContact CD1-CD1 3.47Å; D99-I101 PolarHBondContact O-N 2.86Å; D99-I101 VanDerWaalsContact O-N 3.11Å; I101-D103 PolarHBondContact O-N 3.16Å; I101-D103 VanDerWaalsContact O-N 3.13Å; I101-L104 HydrophobicContact CG2-CB 3.39Å; I101-L104 HydrophobicContact CG2-CD2 3.94Å; I101-L104 HydrophobicContact CG2-CG 4.33Å; I101-L104 WeakPolarHBondContact O-CB 3.48Å; I101-L104 PolarHBondContact O-N 2.81Å; I101-E105 PolarHBondContact O-N 3.32Å; I101-V128 HydrophobicContact CD1-CG1 4.01Å; I101-V128 HydrophobicContact CD1-CG2 4.2Å; I101-I130 HydrophobicContact CG2-CD1 3.78Å; I101-I130 HydrophobicContact CG2-CG1 4.37Å
102	A	61.5	Low	64.3	Low	2 Å²	2	57.3 Å²	57.3	2%	0.017	29%	0.293	C	S	.	.	H	α-helix	trans	-53.3	-31.9	172.8	0	0	0	0	0	112.2	D99 L104 E105 I106	D99-A102 WeakPolarHBondContact O-CB 3.33Å; D99-A102 PolarHBondContact O-N 2.74Å; A102-L104 VanDerWaalsContact C-N 3.25Å; A102-L104 PolarHBondContact O-N 3.42Å; A102-E105 PolarHBondContact O-N 2.93Å; A102-I106 HydrophobicContact CB-CD1 4.07Å; A102-I106 WeakPolarHBondContact O-CB 3.43Å; A102-I106 WeakPolarHBondContact O-CD1 3.34Å; A102-I106 VanDerWaalsContact O-CG1 3.27Å; A102-I106 WeakPolarHBondContact O-CG1 3.49Å; A102-I106 PolarHBondContact O-N 3.4Å
103	D	60.2	Low	65.1	Low	5 Å²	5	56.8 Å²	56.8	3%	0.027	29%	0.293	C	S	.	.	H	α-helix	trans	-54.9	-40.1	173.7	-74.7	-24.8	0	0	0	113	K86 I101 G107 S118 I130 F201 G202	K86-D103 WeakPolarHBondContact CD-OD2 3.39Å; K86-D103 IonicContact NZ-OD2 2.74Å; K86-D103 PolarHBondContact NZ-OD2 3.34Å; I101-D103 PolarHBondContact O-N 3.16Å; I101-D103 VanDerWaalsContact O-N 3.13Å; D103-G107 WeakPolarHBondContact O-CA 3.4Å; D103-G107 PolarHBondContact O-N 2.55Å; D103-S118 WeakPolarHBondContact O-CB 3.35Å; D103-I130 HydrophobicContact CB-CD1 3.92Å; D103-F201 WeakPolarHBondContact OD1-CA 3.41Å; D103-F201 WeakPolarHBondContact OD1-CB 3.36Å; D103-F201 WeakPolarHBondContact OD1-CD2 3.49Å; D103-F201 PolarHBondContact OD1-N 3.1Å; D103-G202 PolarHBondContact OD1-N 3.08Å
104	L	64.5	Low	66.3	Low	31 Å²	31	56 Å²	56	16%	0.162	29%	0.288	C	S	.	.	H	α-helix	trans	-71.4	-46.4	177	179.4	65	0	0	0	111	L37 I101 A102 K108 A121	L37-L104 HydrophobicContact CD2-CD2 4.18Å; I101-L104 HydrophobicContact CG2-CB 3.39Å; I101-L104 HydrophobicContact CG2-CD2 3.94Å; I101-L104 HydrophobicContact CG2-CG 4.33Å; I101-L104 WeakPolarHBondContact O-CB 3.48Å; I101-L104 PolarHBondContact O-N 2.81Å; A102-L104 VanDerWaalsContact C-N 3.25Å; A102-L104 PolarHBondContact O-N 3.42Å; L104-K108 HydrophobicContact CD1-CB 4.47Å; L104-K108 HydrophobicContact CD1-CD 4.22Å; L104-K108 WeakPolarHBondContact O-CB 3.24Å; L104-K108 PolarHBondContact O-N 3.04Å; L104-K108 VanDerWaalsContact O-N 3.12Å; L104-A121 HydrophobicContact CD1-CB 3.73Å; L104-A121 HydrophobicContact CD2-CB 3.61Å; L104-A121 HydrophobicContact CG-CB 4.14Å
105	E	61.7	Low	67.5	Low	117 Å²	117	53.8 Å²	53.8	55%	0.547	28%	0.277	S	S	.	.	H	α-helix	trans	-65.1	-48.1	-176.5	-65.4	-162.7	149.5	0	0	111.4	I101 A102 L109	I101-E105 PolarHBondContact O-N 3.32Å; A102-E105 PolarHBondContact O-N 2.93Å; E105-L109 HydrophobicContact CB-CD1 4.39Å; E105-L109 WeakPolarHBondContact O-CB 3.43Å; E105-L109 WeakPolarHBondContact O-CG 3.5Å; E105-L109 PolarHBondContact O-N 2.73Å; E105-L109 VanDerWaalsContact O-N 3.13Å
106	I	62.4	Low	69	Low	4 Å²	4	50.3 Å²	50.3	2%	0.021	25%	0.253	C	S	.	.	H	α-helix	trans	-69.4	-53.2	-178.6	-63.5	163.2	0	0	0	110.2	A102 K108 H110 L115 L172 M176 M178 F201	A102-I106 HydrophobicContact CB-CD1 4.07Å; A102-I106 WeakPolarHBondContact O-CB 3.43Å; A102-I106 WeakPolarHBondContact O-CD1 3.34Å; A102-I106 VanDerWaalsContact O-CG1 3.27Å; A102-I106 WeakPolarHBondContact O-CG1 3.49Å; A102-I106 PolarHBondContact O-N 3.4Å; I106-K108 VanDerWaalsContact C-N 3.29Å; I106-K108 PolarHBondContact O-N 3.37Å; I106-H110 PolarHBondContact O-N 3.29Å; I106-L115 HydrophobicContact CG2-CD1 4.08Å; I106-L172 HydrophobicContact CG2-CD2 3.93Å; I106-M176 HydrophobicContact CG2-CE 3.81Å; I106-M176 HydrophobicContact CG2-SD 4.02Å; I106-M178 HydrophobicContact CD1-CE 3.45Å; I106-M178 VanDerWaalsContact CD1-CE 3.45Å; I106-M178 HydrophobicContact CD1-SD 3.69Å; I106-M178 HydrophobicContact CG1-CE 3.93Å; I106-M178 HydrophobicContact CG1-SD 3.59Å; I106-M178 VanDerWaalsContact CG1-SD 3.59Å; I106-F201 HydrophobicContact CB-CD2 4.08Å; I106-F201 HydrophobicContact CB-CE2 4.45Å; I106-F201 HydrophobicContact CB-CG 4.4Å; I106-F201 HydrophobicContact CD1-CB 3.32Å; I106-F201 HydrophobicContact CD1-CD1 4.19Å; I106-F201 HydrophobicContact CD1-CD2 4.09Å; I106-F201 HydrophobicContact CD1-CG 3.61Å; I106-F201 HydrophobicContact CG2-CD1 4.41Å; I106-F201 HydrophobicContact CG2-CD2 3.9Å; I106-F201 HydrophobicContact CG2-CE1 4.41Å; I106-F201 HydrophobicContact CG2-CE2 3.87Å; I106-F201 HydrophobicContact CG2-CG 4.17Å; I106-F201 HydrophobicContact CG2-CZ 4.13Å
107	G	59.1	Low	70.4	Confident	4 Å²	4	44.7 Å²	44.7	4%	0.041	23%	0.232	C	C	.	.	H	α-helix	trans	-68.6	-26.2	-171.7	0	0	0	0	0	113.7	D103 L116 S118	D103-G107 WeakPolarHBondContact O-CA 3.4Å; D103-G107 PolarHBondContact O-N 2.55Å; G107-L116 WeakPolarHBondContact CA-O 3.31Å; G107-S118 VanDerWaalsContact C-N 3.3Å; G107-S118 PolarHBondContact O-N 3.01Å
108	K	67.5	Low	71.6	Confident	106 Å²	106	43.5 Å²	43.5	46%	0.461	23%	0.226	S	C	.	.	H	α-helix	trans	-96	-46.3	-178.7	-170.9	176.5	-179.8	164.4	0	113.4	L104 I106 H110 S118 Y119	L104-K108 HydrophobicContact CD1-CB 4.47Å; L104-K108 HydrophobicContact CD1-CD 4.22Å; L104-K108 WeakPolarHBondContact O-CB 3.24Å; L104-K108 PolarHBondContact O-N 3.04Å; L104-K108 VanDerWaalsContact O-N 3.12Å; I106-K108 VanDerWaalsContact C-N 3.29Å; I106-K108 PolarHBondContact O-N 3.37Å; K108-H110 VanDerWaalsContact C-N 3.29Å; K108-H110 PolarHBondContact O-N 2.83Å; K108-S118 WeakPolarHBondContact CA-O 3.47Å; K108-S118 WeakPolarHBondContact CB-O 3.41Å; K108-Y119 WeakPolarHBondContact CD-O 3.27Å; K108-Y119 WeakPolarHBondContact CE-O 3.36Å; K108-Y119 PolarHBondContact NZ-O 3.47Å
109	L	62.7	Low	73.3	Confident	116 Å²	116	42.5 Å²	42.5	61%	0.607	21%	0.212	S	C	*	.	H	α-helix	trans	-79	-17.1	-171	-62.1	171.2	0	0	0	112.9	E105	E105-L109 HydrophobicContact CB-CD1 4.39Å; E105-L109 WeakPolarHBondContact O-CB 3.43Å; E105-L109 WeakPolarHBondContact O-CG 3.5Å; E105-L109 PolarHBondContact O-N 2.73Å; E105-L109 VanDerWaalsContact O-N 3.13Å
110	H	67	Low	74.6	Confident	74 Å²	74	39.6 Å²	39.6	34%	0.343	20%	0.197	S	C	.	.	S	Bend	trans	-142.1	70.3	-168.1	-65.2	-73.4	0	0	0	111.6	I106 K108 H112 Y171 M176	I106-H110 PolarHBondContact O-N 3.29Å; K108-H110 VanDerWaalsContact C-N 3.29Å; K108-H110 PolarHBondContact O-N 2.83Å; H110-H112 PolarHBondContact O-N 3.38Å; H110-H112 VanDerWaalsContact O-N 3.14Å; H110-Y171 HydrophobicContact CB-CE1 4.11Å; H110-Y171 WeakPolarHBondContact CB-OH 3.41Å; H110-M176 HydrophobicContact CB-CE 2.96Å
111	P	74.9	Confident	76	Confident	99 Å²	99	39.5 Å²	39.5	64%	0.643	20%	0.198	S	C	*	.			trans	-59.9	121.4	177.8	25.4	-33.5	0	0	0	110.1
112	H	87	Confident	77.2	Confident	24 Å²	24	39.1 Å²	39.1	11%	0.111	20%	0.196	C	C	.	.			trans	-131.1	136.8	174.9	-179.4	-93.8	0	0	0	108.5	H110 F114 L115 Y171	H110-H112 PolarHBondContact O-N 3.38Å; H110-H112 VanDerWaalsContact O-N 3.14Å; H112-F114 AromaticContact CE1-CD2 3.59Å; H112-F114 PolarHBondContact ND1-N 3.29Å; H112-F114 PolarHBondContact O-N 2.91Å; H112-L115 HydrophobicContact CB-CB 4.08Å; H112-L115 HydrophobicContact CB-CD1 3.9Å; H112-L115 HydrophobicContact CB-CG 3.9Å; H112-L115 PolarHBondContact O-N 2.83Å; H112-Y171 HydrophobicContact CB-CD1 3.74Å; H112-Y171 HydrophobicContact CB-CE1 3.74Å; H112-Y171 HydrophobicContact CB-CG 4.43Å; H112-Y171 AromaticContact CD2-CD1 3.71Å; H112-Y171 AromaticContact CD2-CD2 3.87Å; H112-Y171 AromaticContact CD2-CG 3.5Å; H112-Y171 VanDerWaalsContact CD2-CG 3.5Å; H112-Y171 AromaticContact CG-CD1 3.74Å; H112-Y171 AromaticContact CG-CG 4Å
113	P	91.7	Very high	78.5	Confident	55 Å²	55	39.9 Å²	39.9	36%	0.357	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-22.9	-172.2	21.9	-34.5	0	0	0	114.2	L13 K197	L13-P113 HydrophobicContact CD1-CB 4.06Å; L13-P113 HydrophobicContact CD1-CG 4Å; P113-K197 VanDerWaalsContact O-CE 3.29Å; P113-K197 WeakPolarHBondContact O-CE 3.49Å
114	F	94.5	Very high	80	Confident	9 Å²	9	41.2 Å²	41.2	4%	0.039	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.5	9	-179.3	-50.2	-58.1	0	0	0	114	F10 H112 F163 S164 A168 I196 K197 L198 V321	F10-F114 HydrophobicContact CD1-CE2 4.49Å; F10-F114 HydrophobicContact CE1-CE2 4.19Å; H112-F114 AromaticContact CE1-CD2 3.59Å; H112-F114 PolarHBondContact ND1-N 3.29Å; H112-F114 PolarHBondContact O-N 2.91Å; F114-F163 HydrophobicContact CE2-CD1 4.36Å; F114-F163 AromaticContact CE2-CE1 3.86Å; F114-F163 HydrophobicContact CE2-CE1 3.86Å; F114-F163 HydrophobicContact CZ-CD1 4.25Å; F114-F163 AromaticContact CZ-CE1 3.94Å; F114-F163 HydrophobicContact CZ-CE1 3.94Å; F114-S164 VanDerWaalsContact CB-O 3.25Å; F114-S164 WeakPolarHBondContact CB-O 3.25Å; F114-S164 VanDerWaalsContact CD1-CB 3.46Å; F114-S164 WeakPolarHBondContact CD1-OG 3.49Å; F114-S164 WeakPolarHBondContact CE1-OG 3.42Å; F114-A168 HydrophobicContact CB-CB 4Å; F114-A168 WeakPolarHBondContact O-CB 3.49Å; F114-I196 WeakPolarHBondContact CD1-O 3.35Å; F114-K197 WeakPolarHBondContact O-CA 3.38Å; F114-L198 PolarHBondContact O-N 3.25Å; F114-V321 HydrophobicContact CE1-CG1 4.25Å; F114-V321 HydrophobicContact CZ-CG1 4Å; F114-V321 HydrophobicContact CZ-CG2 4.11Å
115	L	91.8	Very high	81.2	Confident	4 Å²	4	45 Å²	45	2%	0.021	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-107.9	143.9	169.2	-65.3	-178.5	0	0	0	109.7	I106 H112 R117 A168 Y171 L172 M176 L198 F201	I106-L115 HydrophobicContact CG2-CD1 4.08Å; H112-L115 HydrophobicContact CB-CB 4.08Å; H112-L115 HydrophobicContact CB-CD1 3.9Å; H112-L115 HydrophobicContact CB-CG 3.9Å; H112-L115 PolarHBondContact O-N 2.83Å; L115-R117 PolarHBondContact O-N 2.71Å; L115-A168 HydrophobicContact CD2-CB 3.65Å; L115-A168 HydrophobicContact CG-CB 4.34Å; L115-Y171 HydrophobicContact CD1-CD1 3.67Å; L115-Y171 HydrophobicContact CD1-CE1 4.03Å; L115-L172 HydrophobicContact CD1-CD2 3.77Å; L115-L172 HydrophobicContact CD1-CG 4.31Å; L115-L172 HydrophobicContact CD2-CD1 4.18Å; L115-L172 HydrophobicContact CD2-CD2 4.1Å; L115-L172 HydrophobicContact CD2-CG 4.05Å; L115-M176 HydrophobicContact CD1-CE 4.14Å; L115-L198 HydrophobicContact CD2-CB 4.27Å; L115-L198 HydrophobicContact CD2-CD2 4.47Å; L115-F201 HydrophobicContact CB-CZ 4.02Å; L115-F201 HydrophobicContact CD2-CE1 3.64Å; L115-F201 HydrophobicContact CD2-CZ 3.65Å; L115-F201 HydrophobicContact CG-CZ 4.29Å
116	L	92	Very high	82.5	Confident	11 Å²	11	45.2 Å²	45.2	6%	0.058	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-66.1	123.7	175.5	-167.7	72.8	0	0	0	110	G107 L132 E133 M135 L189 L198	G107-L116 WeakPolarHBondContact CA-O 3.31Å; L116-L132 HydrophobicContact CD2-CB 4.27Å; L116-L132 HydrophobicContact CD2-CD1 3.97Å; L116-L132 HydrophobicContact CD2-CD2 4.39Å; L116-L132 HydrophobicContact CD2-CG 4.44Å; L116-E133 WeakPolarHBondContact CA-OE1 3.26Å; L116-E133 HydrophobicContact CD1-CG 3.35Å; L116-E133 HydrophobicContact CG-CG 4.09Å; L116-M135 HydrophobicContact CD1-CG 3.59Å; L116-M135 HydrophobicContact CD1-SD 4.31Å; L116-L189 HydrophobicContact CD1-CD1 3.8Å; L116-L189 HydrophobicContact CD2-CD1 3.81Å; L116-L189 HydrophobicContact CG-CD1 4.36Å; L116-L198 WeakPolarHBondContact CB-O 3.33Å; L116-L198 PolarHBondContact N-O 2.93Å
117	R	88.5	Confident	83.7	Confident	94 Å²	94	45.8 Å²	45.8	36%	0.355	24%	0.24	S	C	.	.	P	Polyproline II helix	trans	-74	132.1	179.1	-175.2	178.3	-177.4	173.5	1.8	110	L115 Y119 L132 E133	L115-R117 PolarHBondContact O-N 2.71Å; R117-Y119 HydrophobicContact CG-CE1 4.35Å; R117-L132 WeakPolarHBondContact O-CA 3.29Å; R117-E133 HydrophobicContact CB-CB 4.28Å; R117-E133 HydrophobicContact CB-CG 4.14Å; R117-E133 WeakPolarHBondContact CB-OE1 3.29Å; R117-E133 PolarHBondContact N-OE1 3.11Å; R117-E133 PolarHBondContact O-N 3.26Å
118	S	86.6	Confident	85	Confident	2 Å²	2	45.7 Å²	45.7	1%	0.014	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	131.2	163.4	-179.7	0	0	0	0	109	D103 G107 K108 I130 L131	D103-S118 WeakPolarHBondContact O-CB 3.35Å; G107-S118 VanDerWaalsContact C-N 3.3Å; G107-S118 PolarHBondContact O-N 3.01Å; K108-S118 WeakPolarHBondContact CA-O 3.47Å; K108-S118 WeakPolarHBondContact CB-O 3.41Å; S118-I130 WeakPolarHBondContact OG-CG2 3.44Å; S118-L131 CarbonylContact C-O 3.53Å; S118-L131 WeakPolarHBondContact CA-O 3.4Å; S118-L131 PolarHBondContact OG-O 3.4Å
119	Y	87.3	Confident	86.1	Confident	56 Å²	56	41.4 Å²	41.4	22%	0.22	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	-52.8	177.9	-63.4	-72	0	0	0	111	L43 F83 K108 R117 L131 E133	L43-Y119 HydrophobicContact CD1-CD1 4.33Å; L43-Y119 HydrophobicContact CD1-CG 3.94Å; F83-Y119 AromaticContact CD1-CD2 3.75Å; F83-Y119 HydrophobicContact CD1-CD2 3.75Å; F83-Y119 AromaticContact CD1-CE2 3.65Å; F83-Y119 HydrophobicContact CD1-CE2 3.65Å; F83-Y119 AromaticContact CE1-CD2 3.97Å; F83-Y119 HydrophobicContact CE1-CD2 3.97Å; F83-Y119 AromaticContact CE1-CE2 3.81Å; F83-Y119 HydrophobicContact CE1-CE2 3.81Å; K108-Y119 WeakPolarHBondContact CD-O 3.27Å; K108-Y119 WeakPolarHBondContact CE-O 3.36Å; K108-Y119 PolarHBondContact NZ-O 3.47Å; R117-Y119 HydrophobicContact CG-CE1 4.35Å; Y119-L131 PolarHBondContact N-O 3.28Å; Y119-E133 HydrophobicContact CE2-CB 4.03Å
120	C	85.8	Confident	87.4	Confident	1 Å²	1	35.9 Å²	35.9	1%	0.007	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.6	170.8	-179.7	62.7	0	0	0	0	110.7	A41 L131	A41-C120 HydrophobicContact CB-CB 3.73Å; C120-L131 PolarHBondContact O-N 3.12Å
121	A	87.1	Confident	88.5	Confident	8 Å²	8	32.4 Å²	32.4	7%	0.066	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	154	164.7	0	0	0	0	0	109.5	L37 L104 V128 W129 I130	L37-A121 HydrophobicContact CD2-CB 4.01Å; L37-A121 WeakPolarHBondContact CD2-O 3.12Å; L104-A121 HydrophobicContact CD1-CB 3.73Å; L104-A121 HydrophobicContact CD2-CB 3.61Å; L104-A121 HydrophobicContact CG-CB 4.14Å; A121-V128 HydrophobicContact CB-CG1 4.36Å; A121-W129 CarbonylContact C-O 3.35Å; A121-W129 WeakPolarHBondContact CA-O 3.38Å; A121-W129 VanDerWaalsContact CB-O 3.26Å; A121-W129 WeakPolarHBondContact CB-O 3.43Å; A121-I130 HydrophobicContact CB-CB 4.47Å; A121-I130 HydrophobicContact CB-CG1 4.07Å
122	F	87.6	Confident	89.3	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	162.9	175.5	50.8	-94.6	0	0	0	109.2	S38 A41 V52 G54 F57 H124 W129 L131	S38-F122 CarbonylContact O-C 3.44Å; S38-F122 VanDerWaalsContact O-CA 3.29Å; S38-F122 WeakPolarHBondContact O-CA 3.26Å; S38-F122 VanDerWaalsContact O-CB 3.24Å; S38-F122 WeakPolarHBondContact O-CB 3.34Å; A41-F122 HydrophobicContact CB-CB 4.2Å; A41-F122 HydrophobicContact CB-CD1 3.91Å; V52-F122 HydrophobicContact CG2-CE1 4.22Å; G54-F122 VanDerWaalsContact N-CE2 3.32Å; F57-F122 HydrophobicContact CD2-CZ 4.31Å; F57-F122 HydrophobicContact CE2-CE1 4.36Å; F57-F122 HydrophobicContact CE2-CZ 4.03Å; F122-H124 HydrophobicContact CD2-CB 4.17Å; F122-H124 HydrophobicContact CE2-CB 4.08Å; F122-W129 HydrophobicContact CD2-CB 4.19Å; F122-W129 HydrophobicContact CE2-CB 3.84Å; F122-W129 HydrophobicContact CE2-CD2 4.14Å; F122-W129 AromaticContact CE2-CE3 3.76Å; F122-W129 HydrophobicContact CE2-CE3 3.76Å; F122-W129 HydrophobicContact CE2-CG 4.2Å; F122-W129 HydrophobicContact CZ-CB 4.14Å; F122-W129 AromaticContact CZ-CE3 3.88Å; F122-W129 HydrophobicContact CZ-CE3 3.88Å; F122-W129 PolarHBondContact N-O 3.45Å; F122-W129 PolarHBondContact O-N 3.17Å; F122-L131 HydrophobicContact CD1-CD1 4.43Å; F122-L131 HydrophobicContact CE1-CD1 3.43Å; F122-L131 VanDerWaalsContact CE1-CD1 3.43Å; F122-L131 HydrophobicContact CE1-CD2 4.2Å; F122-L131 HydrophobicContact CE1-CG 4.44Å; F122-L131 HydrophobicContact CZ-CD1 3.73Å
123	T	89.5	Confident	89.6	Confident	18 Å²	18	28 Å²	28	11%	0.11	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	138	171.2	52	0	0	0	0	109.8	L37 S38 T39 F90 V128	L37-T123 HydrophobicContact CB-CG2 4Å; S38-T123 PolarHBondContact O-N 3.33Å; S38-T123 PolarHBondContact O-OG1 2.66Å; T39-T123 WeakPolarHBondContact CA-O 3.26Å; F90-T123 HydrophobicContact CE1-CG2 4.02Å; F90-T123 HydrophobicContact CZ-CG2 3.97Å; T123-V128 HydrophobicContact CG2-CG2 4.48Å
124	H	91.6	Very high	89.7	Confident	33 Å²	33	27.6 Å²	27.6	15%	0.153	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	123.5	172.5	-174.1	69.1	0	0	0	110.3	G54 D55 F122 D126 S127 W129	G54-H124 WeakPolarHBondContact CA-ND1 3.2Å; D55-H124 IonicContact OD1-CE1 3.1Å; D55-H124 PolarHBondContact OD1-CE1 3.49Å; F122-H124 HydrophobicContact CD2-CB 4.17Å; F122-H124 HydrophobicContact CE2-CB 4.08Å; H124-D126 PolarHBondContact O-N 2.62Å; H124-D126 VanDerWaalsContact O-N 3.14Å; H124-S127 PolarHBondContact N-O 2.97Å; H124-S127 PolarHBondContact O-N 3.1Å; H124-S127 VanDerWaalsContact O-N 3.13Å; H124-S127 PolarHBondContact O-OG 3.17Å; H124-W129 HydrophobicContact CB-CD2 4.01Å; H124-W129 HydrophobicContact CB-CG 4.14Å; H124-W129 AromaticContact CD2-CE2 3.63Å; H124-W129 AromaticContact CD2-CH2 3.59Å; H124-W129 AromaticContact CD2-CZ2 3.3Å; H124-W129 WeakPolarHBondContact CD2-CZ2 3.36Å
125	V	88.6	Confident	89.8	Confident	109 Å²	109	27.9 Å²	27.9	66%	0.661	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.6	-113.9	-171.6	-167.2	0	0	0	0	109.9	F90	F90-V125 WeakPolarHBondContact CE2-O 3.04Å
126	D	88.3	Confident	90	Very high	122 Å²	122	31.3 Å²	31.3	65%	0.652	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.2	27.8	-175.5	-61.7	-45	0	0	0	112.8	F90 H124	F90-D126 HydrophobicContact CD2-CB 4.37Å; F90-D126 WeakPolarHBondContact CD2-O 3.32Å; F90-D126 VanDerWaalsContact CE2-C 3.45Å; F90-D126 VanDerWaalsContact CE2-CA 3.49Å; F90-D126 WeakPolarHBondContact CG-O 3.33Å; F90-D126 PolarHBondContact N-O 3.24Å; H124-D126 PolarHBondContact O-N 2.62Å; H124-D126 VanDerWaalsContact O-N 3.14Å
127	S	88.9	Confident	90.2	Very high	17 Å²	17	31.3 Å²	31.3	12%	0.119	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	155.6	-175.3	58.6	0	0	0	0	113.2	I88 F90 H124 W129	I88-S127 CarbonylContact O-C 3.47Å; I88-S127 VanDerWaalsContact O-CA 3.23Å; I88-S127 WeakPolarHBondContact O-CA 3.23Å; I88-S127 WeakPolarHBondContact O-CB 3.45Å; F90-S127 WeakPolarHBondContact CE1-O 3.26Å; H124-S127 PolarHBondContact N-O 2.97Å; H124-S127 PolarHBondContact O-N 3.1Å; H124-S127 VanDerWaalsContact O-N 3.13Å; H124-S127 PolarHBondContact O-OG 3.17Å; S127-W129 PolarHBondContact OG-NE1 3.48Å
128	V	86.8	Confident	90.6	Very high	2 Å²	2	28 Å²	28	1%	0.012	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	128.8	161.2	174.2	0	0	0	0	108.2	L37 K87 I88 F90 L93 I101 A121 T123 I130	L37-V128 HydrophobicContact CD1-CG1 4.04Å; L37-V128 HydrophobicContact CD1-CG2 4.19Å; K87-V128 WeakPolarHBondContact CA-O 3.45Å; I88-V128 PolarHBondContact N-O 3.03Å; I88-V128 PolarHBondContact O-N 3.27Å; F90-V128 HydrophobicContact CD1-CG2 4.2Å; F90-V128 HydrophobicContact CE1-CG2 3.81Å; L93-V128 HydrophobicContact CD1-CB 4.47Å; L93-V128 HydrophobicContact CD1-CG2 3.62Å; I101-V128 HydrophobicContact CD1-CG1 4.01Å; I101-V128 HydrophobicContact CD1-CG2 4.2Å; A121-V128 HydrophobicContact CB-CG1 4.36Å; T123-V128 HydrophobicContact CG2-CG2 4.48Å; V128-I130 HydrophobicContact CG1-CG1 4.13Å
129	W	90.6	Very high	91.1	Very high	16 Å²	16	27.9 Å²	27.9	6%	0.061	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	125.6	172.5	-74.2	25.7	0	0	0	108.5	F57 M74 V85 K86 K87 A121 F122 H124 S127	F57-W129 HydrophobicContact CB-CZ3 4.42Å; M74-W129 HydrophobicContact CE-CH2 3.45Å; M74-W129 VanDerWaalsContact CE-CH2 3.45Å; M74-W129 HydrophobicContact CE-CZ3 3.49Å; M74-W129 VanDerWaalsContact CE-CZ3 3.49Å; M74-W129 HydrophobicContact SD-CE3 4.09Å; M74-W129 HydrophobicContact SD-CH2 3.78Å; M74-W129 HydrophobicContact SD-CZ3 3.48Å; M74-W129 WeakPolarHBondContact SD-CZ3 3.42Å; V85-W129 HydrophobicContact CG1-CB 3.96Å; V85-W129 HydrophobicContact CG1-CD2 3.82Å; V85-W129 HydrophobicContact CG1-CE3 3.68Å; V85-W129 HydrophobicContact CG1-CG 3.98Å; V85-W129 HydrophobicContact CG1-CZ3 4.45Å; K86-W129 WeakPolarHBondContact O-CA 3.46Å; K87-W129 HydrophobicContact CD-CZ2 3.86Å; K87-W129 HydrophobicContact CG-CD2 4.27Å; K87-W129 HydrophobicContact CG-CG 4.28Å; K87-W129 HydrophobicContact CG-CZ2 4.39Å; A121-W129 CarbonylContact C-O 3.35Å; A121-W129 WeakPolarHBondContact CA-O 3.38Å; A121-W129 VanDerWaalsContact CB-O 3.26Å; A121-W129 WeakPolarHBondContact CB-O 3.43Å; F122-W129 HydrophobicContact CD2-CB 4.19Å; F122-W129 HydrophobicContact CE2-CB 3.84Å; F122-W129 HydrophobicContact CE2-CD2 4.14Å; F122-W129 AromaticContact CE2-CE3 3.76Å; F122-W129 HydrophobicContact CE2-CE3 3.76Å; F122-W129 HydrophobicContact CE2-CG 4.2Å; F122-W129 HydrophobicContact CZ-CB 4.14Å; F122-W129 AromaticContact CZ-CE3 3.88Å; F122-W129 HydrophobicContact CZ-CE3 3.88Å; F122-W129 PolarHBondContact N-O 3.45Å; F122-W129 PolarHBondContact O-N 3.17Å; H124-W129 HydrophobicContact CB-CD2 4.01Å; H124-W129 HydrophobicContact CB-CG 4.14Å; H124-W129 AromaticContact CD2-CE2 3.63Å; H124-W129 AromaticContact CD2-CH2 3.59Å; H124-W129 AromaticContact CD2-CZ2 3.3Å; H124-W129 WeakPolarHBondContact CD2-CZ2 3.36Å; S127-W129 PolarHBondContact OG-NE1 3.48Å
130	I	88.4	Confident	91.5	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	117.2	172.4	-51	178.9	0	0	0	107.3	V85 K86 I88 I101 D103 S118 A121 V128 L132	V85-I130 WeakPolarHBondContact CA-O 3.42Å; K86-I130 HydrophobicContact CB-CB 4.35Å; K86-I130 PolarHBondContact N-O 2.86Å; K86-I130 PolarHBondContact O-N 3.2Å; I88-I130 HydrophobicContact CD1-CD1 3.85Å; I101-I130 HydrophobicContact CG2-CD1 3.78Å; I101-I130 HydrophobicContact CG2-CG1 4.37Å; D103-I130 HydrophobicContact CB-CD1 3.92Å; S118-I130 WeakPolarHBondContact OG-CG2 3.44Å; A121-I130 HydrophobicContact CB-CB 4.47Å; A121-I130 HydrophobicContact CB-CG1 4.07Å; V128-I130 HydrophobicContact CG1-CG1 4.13Å; I130-L132 HydrophobicContact CG2-CD2 3.73Å; I130-L132 HydrophobicContact CG2-CG 4.19Å
131	L	91.6	Very high	92	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	124.7	173.9	-91.4	60.4	0	0	0	109.4	L43 F57 V85 S118 Y119 C120 F122	L43-L131 HydrophobicContact CD1-CD2 4.41Å; L43-L131 HydrophobicContact CD2-CD2 4.04Å; F57-L131 HydrophobicContact CE1-CD2 3.93Å; F57-L131 HydrophobicContact CE2-CD2 4.17Å; F57-L131 HydrophobicContact CZ-CD2 3.46Å; F57-L131 VanDerWaalsContact CZ-CD2 3.46Å; F57-L131 HydrophobicContact CZ-CG 4.45Å; V85-L131 HydrophobicContact CG1-CD1 4.14Å; V85-L131 HydrophobicContact CG2-CD1 3.89Å; V85-L131 HydrophobicContact CG2-CG 4.12Å; S118-L131 CarbonylContact C-O 3.53Å; S118-L131 WeakPolarHBondContact CA-O 3.4Å; S118-L131 PolarHBondContact OG-O 3.4Å; Y119-L131 PolarHBondContact N-O 3.28Å; C120-L131 PolarHBondContact O-N 3.12Å; F122-L131 HydrophobicContact CD1-CD1 4.43Å; F122-L131 HydrophobicContact CE1-CD1 3.43Å; F122-L131 VanDerWaalsContact CE1-CD1 3.43Å; F122-L131 HydrophobicContact CE1-CD2 4.2Å; F122-L131 HydrophobicContact CE1-CG 4.44Å; F122-L131 HydrophobicContact CZ-CD1 3.73Å
132	L	91.7	Very high	92.5	Very high	13 Å²	13	30 Å²	30	7%	0.068	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	157.3	-176.2	-57.4	170.8	0	0	0	109.3	A84 K86 L116 R117 I130	A84-L132 HydrophobicContact CB-CB 4.16Å; A84-L132 PolarHBondContact N-O 3.06Å; A84-L132 PolarHBondContact O-N 3.45Å; K86-L132 HydrophobicContact CB-CD1 4.05Å; L116-L132 HydrophobicContact CD2-CB 4.27Å; L116-L132 HydrophobicContact CD2-CD1 3.97Å; L116-L132 HydrophobicContact CD2-CD2 4.39Å; L116-L132 HydrophobicContact CD2-CG 4.44Å; R117-L132 WeakPolarHBondContact O-CA 3.29Å; I130-L132 HydrophobicContact CG2-CD2 3.73Å; I130-L132 HydrophobicContact CG2-CG 4.19Å
133	E	91.7	Very high	93	Very high	18 Å²	18	30.3 Å²	30.3	8%	0.084	17%	0.168	C	C	.	.			trans	-59.4	140.6	165.5	71.2	-177.1	131.9	0	0	111	L116 R117 Y119 M135 K197	L116-E133 WeakPolarHBondContact CA-OE1 3.26Å; L116-E133 HydrophobicContact CD1-CG 3.35Å; L116-E133 HydrophobicContact CG-CG 4.09Å; R117-E133 HydrophobicContact CB-CB 4.28Å; R117-E133 HydrophobicContact CB-CG 4.14Å; R117-E133 WeakPolarHBondContact CB-OE1 3.29Å; R117-E133 PolarHBondContact N-OE1 3.11Å; R117-E133 PolarHBondContact O-N 3.26Å; Y119-E133 HydrophobicContact CE2-CB 4.03Å; E133-M135 HydrophobicContact CG-SD 4.31Å; E133-K197 WeakPolarHBondContact OE1-CD 3.32Å; E133-K197 WeakPolarHBondContact OE1-CE 3.21Å; E133-K197 IonicContact OE1-NZ 3.27Å; E133-K197 PolarHBondContact OE1-NZ 2.76Å; E133-K197 WeakPolarHBondContact OE2-CE 3.34Å; E133-K197 IonicContact OE2-NZ 2.87Å; E133-K197 PolarHBondContact OE2-NZ 3.32Å
134	L	95.1	Very high	93.3	Very high	47 Å²	47	34.1 Å²	34.1	25%	0.246	19%	0.188	C	C	.	.			trans	-82.2	121.9	178.6	-177.1	65.3	0	0	0	109.3	L63 K73 A84	L63-L134 HydrophobicContact CD1-CD1 3.63Å; K73-L134 HydrophobicContact CB-CD1 4.43Å; K73-L134 HydrophobicContact CD-CD1 4.42Å; K73-L134 HydrophobicContact CD-CD2 3.99Å; K73-L134 HydrophobicContact CG-CD1 4.06Å; K73-L134 HydrophobicContact CG-CD2 4.06Å; A84-L134 HydrophobicContact CB-CD1 4.12Å
135	M	96.3	Very high	93.6	Very high	14 Å²	14	36.7 Å²	36.7	7%	0.069	20%	0.198	C	C	.	.			trans	-104.6	151.4	169.7	-57.4	-63.2	-73.7	0	0	109	L116 E133 L189 N191 K197	L116-M135 HydrophobicContact CD1-CG 3.59Å; L116-M135 HydrophobicContact CD1-SD 4.31Å; E133-M135 HydrophobicContact CG-SD 4.31Å; M135-L189 HydrophobicContact CB-CB 3.75Å; M135-L189 HydrophobicContact CB-CD1 4.33Å; M135-L189 HydrophobicContact CE-CB 4.14Å; M135-L189 HydrophobicContact CG-CB 3.68Å; M135-L189 HydrophobicContact CG-CD1 4.03Å; M135-L189 HydrophobicContact CG-CG 4.49Å; M135-N191 HydrophobicContact CE-CB 4.13Å; M135-N191 HydrophobicContact SD-CB 4.36Å; M135-K197 HydrophobicContact CE-CB 4.1Å; M135-K197 HydrophobicContact CE-CD 4.2Å; M135-K197 HydrophobicContact CE-CG 3.98Å; M135-K197 HydrophobicContact SD-CD 4.15Å
136	D	95.8	Very high	94	Very high	76 Å²	76	31.5 Å²	31.5	41%	0.406	17%	0.167	S	C	.	.	S	Bend	trans	-82.4	-31.1	-173.5	-69.5	-74.4	0	0	0	113.3	A190 N191 K192 I336	D136-A190 PolarHBondContact N-O 2.85Å; D136-N191 WeakPolarHBondContact OD2-CA 3.48Å; D136-N191 VanDerWaalsContact OD2-CB 3.24Å; D136-N191 WeakPolarHBondContact OD2-CB 3.36Å; D136-K192 WeakPolarHBondContact OD2-CG 3.33Å; D136-K192 PolarHBondContact OD2-N 2.86Å; D136-I336 HydrophobicContact CB-CD1 3.85Å; D136-I336 HydrophobicContact CB-CG2 3.62Å
137	I	95.9	Very high	94.4	Very high	12 Å²	12	29.8 Å²	29.8	6%	0.062	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	148.7	-175.2	-157.6	168.5	0	0	0	111.4	V141 L142 K145 L189 A190 I336	I137-V141 HydrophobicContact CD1-CB 4.33Å; I137-V141 HydrophobicContact CD1-CG1 3.96Å; I137-V141 HydrophobicContact CG1-CB 3.88Å; I137-V141 HydrophobicContact CG1-CG1 3.84Å; I137-L142 HydrophobicContact CD1-CB 3.95Å; I137-L142 HydrophobicContact CD1-CD1 4.39Å; I137-L142 HydrophobicContact CG1-CB 4.42Å; I137-L142 HydrophobicContact CG2-CB 4.48Å; I137-K145 HydrophobicContact CD1-CD 4.05Å; I137-L189 WeakPolarHBondContact O-CA 3.34Å; I137-A190 HydrophobicContact CG2-CB 4.02Å; I137-A190 PolarHBondContact N-O 3Å; I137-A190 VanDerWaalsContact N-O 3.07Å; I137-A190 PolarHBondContact O-N 2.78Å; I137-I336 HydrophobicContact CB-CD1 4Å; I137-I336 HydrophobicContact CB-CG1 4.32Å; I137-I336 HydrophobicContact CD1-CG1 4.26Å; I137-I336 HydrophobicContact CG2-CD1 3.5Å; I137-I336 VanDerWaalsContact CG2-CD1 3.5Å; I137-I336 HydrophobicContact CG2-CG1 4.15Å
138	S	96.7	Very high	94.7	Very high	24 Å²	24	33 Å²	33	17%	0.168	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	153.5	163.7	55.1	0	0	0	0	110.9	D140 V141 L142 M188	S138-D140 VanDerWaalsContact C-N 3.27Å; S138-D140 WeakPolarHBondContact CB-OD1 3.36Å; S138-D140 PolarHBondContact O-N 3.26Å; S138-D140 PolarHBondContact OG-OD1 3.42Å; S138-V141 PolarHBondContact O-N 3.42Å; S138-V141 VanDerWaalsContact OG-CG2 3.28Å; S138-V141 WeakPolarHBondContact OG-CG2 3.45Å; S138-L142 PolarHBondContact O-N 3.25Å; S138-M188 CarbonylContact C-O 3.48Å; S138-M188 WeakPolarHBondContact CA-O 3.33Å
139	L	97.7	Very high	95.2	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-69.9	-22.9	-173.1	-63.7	-170.5	0	0	0	113.4	L142 L143 I161 P185 M188 A190 L251	L139-L142 HydrophobicContact CD2-CD2 3.85Å; L139-L143 VanDerWaalsContact O-CB 3.29Å; L139-L143 WeakPolarHBondContact O-CB 3.47Å; L139-L143 PolarHBondContact O-N 2.9Å; L139-I161 HydrophobicContact CD1-CB 4.42Å; L139-I161 HydrophobicContact CD1-CD1 3.87Å; L139-I161 HydrophobicContact CD1-CG1 4Å; L139-I161 HydrophobicContact CD1-CG2 3.53Å; L139-I161 HydrophobicContact CD2-CD1 4.29Å; L139-P185 HydrophobicContact CB-CB 4.07Å; L139-P185 WeakPolarHBondContact CB-O 3.46Å; L139-P185 PolarHBondContact N-O 3.37Å; L139-P185 VanDerWaalsContact N-O 3.12Å; L139-M188 HydrophobicContact CB-CB 4.18Å; L139-M188 HydrophobicContact CD1-CB 3.48Å; L139-M188 VanDerWaalsContact CD1-CB 3.48Å; L139-M188 HydrophobicContact CD1-CG 4.32Å; L139-M188 HydrophobicContact CD1-SD 3.94Å; L139-M188 HydrophobicContact CG-CB 3.67Å; L139-M188 WeakPolarHBondContact CG-O 3.41Å; L139-M188 PolarHBondContact N-O 2.71Å; L139-A190 HydrophobicContact CD2-CB 4.06Å; L139-L251 HydrophobicContact CB-CD2 3.91Å; L139-L251 HydrophobicContact CD1-CD1 3.84Å
140	D	95.8	Very high	95.4	Very high	50 Å²	50	43.4 Å²	43.4	27%	0.267	24%	0.241	S	C	.	.	H	α-helix	trans	-67.8	-42.2	170.8	69	-42.7	0	0	0	112	S138 L143 N144 P185 A186	S138-D140 VanDerWaalsContact C-N 3.27Å; S138-D140 WeakPolarHBondContact CB-OD1 3.36Å; S138-D140 PolarHBondContact O-N 3.26Å; S138-D140 PolarHBondContact OG-OD1 3.42Å; D140-L143 PolarHBondContact O-N 2.89Å; D140-N144 PolarHBondContact O-N 3.3Å; D140-N144 PolarHBondContact O-ND2 2.92Å; D140-P185 HydrophobicContact CB-CB 4.06Å; D140-P185 PolarHBondContact N-O 2.91Å; D140-A186 HydrophobicContact CB-CB 4.34Å; D140-A186 WeakPolarHBondContact OD1-CA 3.41Å
141	V	96	Very high	95.7	Very high	60 Å²	60	47.6 Å²	47.6	36%	0.364	26%	0.261	S	S	.	.	H	α-helix	trans	-67.5	-40.6	175.4	178	0	0	0	0	110.2	I137 S138 N144 K145	I137-V141 HydrophobicContact CD1-CB 4.33Å; I137-V141 HydrophobicContact CD1-CG1 3.96Å; I137-V141 HydrophobicContact CG1-CB 3.88Å; I137-V141 HydrophobicContact CG1-CG1 3.84Å; S138-V141 PolarHBondContact O-N 3.42Å; S138-V141 VanDerWaalsContact OG-CG2 3.28Å; S138-V141 WeakPolarHBondContact OG-CG2 3.45Å; V141-N144 PolarHBondContact O-N 3.41Å; V141-K145 WeakPolarHBondContact O-CG 3.3Å; V141-K145 PolarHBondContact O-N 3Å; V141-K145 VanDerWaalsContact O-N 3.15Å
142	L	97.6	Very high	95.9	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-58	-49	172	178.1	65.2	0	0	0	111	I137 S138 L139 N144 K145 V146 F331 L332 Y335	I137-L142 HydrophobicContact CD1-CB 3.95Å; I137-L142 HydrophobicContact CD1-CD1 4.39Å; I137-L142 HydrophobicContact CG1-CB 4.42Å; I137-L142 HydrophobicContact CG2-CB 4.48Å; S138-L142 PolarHBondContact O-N 3.25Å; L139-L142 HydrophobicContact CD2-CD2 3.85Å; L142-N144 VanDerWaalsContact C-N 3.3Å; L142-N144 PolarHBondContact O-N 2.92Å; L142-K145 WeakPolarHBondContact O-CB 2.98Å; L142-K145 PolarHBondContact O-N 3.43Å; L142-K145 VanDerWaalsContact O-N 3.08Å; L142-V146 HydrophobicContact CD1-CG2 4.19Å; L142-V146 HydrophobicContact CG-CG2 4.26Å; L142-V146 VanDerWaalsContact O-CG2 3.29Å; L142-V146 WeakPolarHBondContact O-CG2 3.34Å; L142-V146 PolarHBondContact O-N 3.15Å; L142-F331 HydrophobicContact CD1-CE1 4.31Å; L142-F331 HydrophobicContact CD2-CE1 4.2Å; L142-L332 HydrophobicContact CD1-CD2 3.92Å; L142-L332 HydrophobicContact CD2-CD2 3.58Å; L142-L332 HydrophobicContact CG-CD2 4.38Å; L142-Y335 HydrophobicContact CD1-CD2 3.73Å; L142-Y335 HydrophobicContact CD1-CE2 4.48Å; L142-Y335 HydrophobicContact CD1-CG 4Å
143	L	97.7	Very high	96.2	Very high	6 Å²	6	52.6 Å²	52.6	3%	0.031	28%	0.279	C	S	.	.	H	α-helix	trans	-58	-43.1	180	-171.8	63.5	0	0	0	111.6	L139 D140 K145 V146 K147 I153 E250 L251	L139-L143 VanDerWaalsContact O-CB 3.29Å; L139-L143 WeakPolarHBondContact O-CB 3.47Å; L139-L143 PolarHBondContact O-N 2.9Å; D140-L143 PolarHBondContact O-N 2.89Å; L143-K145 VanDerWaalsContact C-N 3.33Å; L143-K145 PolarHBondContact O-N 2.89Å; L143-V146 PolarHBondContact O-N 3.46Å; L143-K147 HydrophobicContact CG-CD 4.07Å; L143-K147 WeakPolarHBondContact O-CB 3.36Å; L143-K147 VanDerWaalsContact O-CG 3.23Å; L143-K147 WeakPolarHBondContact O-CG 3.39Å; L143-K147 PolarHBondContact O-N 3Å; L143-I153 HydrophobicContact CD1-CD1 4.08Å; L143-E250 HydrophobicContact CD2-CG 3.61Å; L143-E250 WeakPolarHBondContact CD2-O 3.46Å; L143-L251 HydrophobicContact CB-CD2 4.37Å; L143-L251 HydrophobicContact CD1-CD2 4.45Å; L143-L251 HydrophobicContact CD2-CD2 4.49Å
144	N	96.9	Very high	96.4	Very high	97 Å²	97	54 Å²	54	52%	0.519	29%	0.29	S	S	.	.	H	α-helix	trans	-60.3	-41	175.8	-73.5	-31.3	0	0	0	112.5	D140 V141 L142 A148	D140-N144 PolarHBondContact O-N 3.3Å; D140-N144 PolarHBondContact O-ND2 2.92Å; V141-N144 PolarHBondContact O-N 3.41Å; L142-N144 VanDerWaalsContact C-N 3.3Å; L142-N144 PolarHBondContact O-N 2.92Å; N144-A148 WeakPolarHBondContact O-CB 3.38Å; N144-A148 PolarHBondContact O-N 2.96Å; N144-A148 VanDerWaalsContact O-N 3.07Å
145	K	97.6	Very high	96.5	Very high	87 Å²	87	53.7 Å²	53.7	38%	0.378	29%	0.288	S	S	.	.	H	α-helix	trans	-67.1	-42.1	176.1	-67.6	-176.8	-178.6	-170.6	0	112.5	I137 V141 L142 L143 A148 Y335	I137-K145 HydrophobicContact CD1-CD 4.05Å; V141-K145 WeakPolarHBondContact O-CG 3.3Å; V141-K145 PolarHBondContact O-N 3Å; V141-K145 VanDerWaalsContact O-N 3.15Å; L142-K145 WeakPolarHBondContact O-CB 2.98Å; L142-K145 PolarHBondContact O-N 3.43Å; L142-K145 VanDerWaalsContact O-N 3.08Å; L143-K145 VanDerWaalsContact C-N 3.33Å; L143-K145 PolarHBondContact O-N 2.89Å; K145-A148 PolarHBondContact O-N 3.44Å; K145-Y335 HydrophobicContact CB-CD1 3.87Å; K145-Y335 HydrophobicContact CB-CG 4.4Å; K145-Y335 WeakPolarHBondContact CD-O 3.33Å; K145-Y335 PolarHBondContact NZ-O 3.14Å
146	V	97.4	Very high	96.5	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.006	30%	0.298	C	S	.	.	H	α-helix	trans	-62.8	-44.5	177.2	173.3	0	0	0	0	110.8	L142 L143 A148 V149 N150 E151 I153 F331 Y335	L142-V146 HydrophobicContact CD1-CG2 4.19Å; L142-V146 HydrophobicContact CG-CG2 4.26Å; L142-V146 VanDerWaalsContact O-CG2 3.29Å; L142-V146 WeakPolarHBondContact O-CG2 3.34Å; L142-V146 PolarHBondContact O-N 3.15Å; L143-V146 PolarHBondContact O-N 3.46Å; V146-A148 VanDerWaalsContact C-N 3.35Å; V146-A148 PolarHBondContact O-N 2.85Å; V146-V149 WeakPolarHBondContact O-CG2 3.47Å; V146-V149 PolarHBondContact O-N 2.92Å; V146-N150 PolarHBondContact O-N 3.42Å; V146-E151 HydrophobicContact CG1-CB 4.09Å; V146-E151 VanDerWaalsContact CG1-O 3.32Å; V146-E151 WeakPolarHBondContact CG1-O 3.47Å; V146-E151 PolarHBondContact O-N 3.49Å; V146-I153 HydrophobicContact CG1-CG1 4.23Å; V146-I153 HydrophobicContact CG2-CG1 4.31Å; V146-F331 HydrophobicContact CG2-CE1 4.23Å; V146-F331 HydrophobicContact CG2-CZ 3.68Å; V146-Y335 HydrophobicContact CB-CE1 4.48Å; V146-Y335 HydrophobicContact CG2-CD1 4.42Å; V146-Y335 HydrophobicContact CG2-CD2 4.33Å; V146-Y335 HydrophobicContact CG2-CE1 3.92Å; V146-Y335 HydrophobicContact CG2-CE2 3.81Å
147	K	95.6	Very high	96.5	Very high	85 Å²	85	52.1 Å²	52.1	37%	0.37	28%	0.279	S	S	.	.	H	α-helix	trans	-63.9	-37.3	176.5	-72.2	169.9	69.8	175.2	0	113.1	L143 V149 N150 G254	L143-K147 HydrophobicContact CG-CD 4.07Å; L143-K147 WeakPolarHBondContact O-CB 3.36Å; L143-K147 VanDerWaalsContact O-CG 3.23Å; L143-K147 WeakPolarHBondContact O-CG 3.39Å; L143-K147 PolarHBondContact O-N 3Å; K147-V149 PolarHBondContact O-N 3.36Å; K147-V149 VanDerWaalsContact O-N 3.11Å; K147-N150 PolarHBondContact O-N 3.41Å; K147-G254 WeakPolarHBondContact CD-O 3.46Å; K147-G254 WeakPolarHBondContact CE-O 3.32Å; K147-G254 PolarHBondContact NZ-O 3.07Å
148	A	96.7	Very high	96.6	Very high	84 Å²	84	51.5 Å²	51.5	69%	0.694	28%	0.276	S	S	*	.	H	α-helix	trans	-60.3	-21.9	179.9	0	0	0	0	0	113	N144 K145 V146	N144-A148 WeakPolarHBondContact O-CB 3.38Å; N144-A148 PolarHBondContact O-N 2.96Å; N144-A148 VanDerWaalsContact O-N 3.07Å; K145-A148 PolarHBondContact O-N 3.44Å; V146-A148 VanDerWaalsContact C-N 3.35Å; V146-A148 PolarHBondContact O-N 2.85Å
149	V	95.9	Very high	96.6	Very high	84 Å²	84	51.6 Å²	51.6	51%	0.509	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.6	12	175.4	-61.3	0	0	0	0	113.5	V146 K147 E151 Y335	V146-V149 WeakPolarHBondContact O-CG2 3.47Å; V146-V149 PolarHBondContact O-N 2.92Å; K147-V149 PolarHBondContact O-N 3.36Å; K147-V149 VanDerWaalsContact O-N 3.11Å; V149-E151 VanDerWaalsContact C-N 3.26Å; V149-E151 HydrophobicContact CG2-CB 4.09Å; V149-E151 HydrophobicContact CG2-CG 3.89Å; V149-E151 PolarHBondContact O-N 2.96Å; V149-Y335 HydrophobicContact CG2-CE1 4.08Å
150	N	94.6	Very high	96.6	Very high	153 Å²	153	51.7 Å²	51.7	82%	0.818	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.6	36.8	-178.6	-66.2	-44.9	0	0	0	114.1	V146 K147	V146-N150 PolarHBondContact O-N 3.42Å; K147-N150 PolarHBondContact O-N 3.41Å
151	E	95.1	Very high	96.7	Very high	88 Å²	88	49.3 Å²	49.3	41%	0.411	26%	0.261	S	S	.	.			trans	-102.5	169.2	175.3	-70.6	-173	155.1	0	0	111.9	V146 V149 Y335	V146-E151 HydrophobicContact CG1-CB 4.09Å; V146-E151 VanDerWaalsContact CG1-O 3.32Å; V146-E151 WeakPolarHBondContact CG1-O 3.47Å; V146-E151 PolarHBondContact O-N 3.49Å; V149-E151 VanDerWaalsContact C-N 3.26Å; V149-E151 HydrophobicContact CG2-CB 4.09Å; V149-E151 HydrophobicContact CG2-CG 3.89Å; V149-E151 PolarHBondContact O-N 2.96Å; E151-Y335 PolarHBondContact OE2-OH 3.46Å
152	Y	96.2	Very high	96.8	Very high	117 Å²	117	46.5 Å²	46.5	46%	0.459	24%	0.244	S	C	.	.			trans	-111.7	149	171.1	-67.2	-76.6	0	0	0	109.9	P154 L283 P284	Y152-P154 WeakPolarHBondContact O-CD 3.36Å; Y152-L283 HydrophobicContact CE1-CD2 3.63Å; Y152-P284 HydrophobicContact CD2-CG 4.03Å; Y152-P284 HydrophobicContact CG-CG 4.25Å
153	I	97.8	Very high	96.7	Very high	1 Å²	1	47 Å²	47	1%	0.005	25%	0.246	C	C	.	.			trans	-67.6	123.3	169.7	-58.8	-176.5	0	0	0	108.1	L143 V146 V157 L158 L251 Y285 F331	L143-I153 HydrophobicContact CD1-CD1 4.08Å; V146-I153 HydrophobicContact CG1-CG1 4.23Å; V146-I153 HydrophobicContact CG2-CG1 4.31Å; I153-V157 HydrophobicContact CG2-CB 3.83Å; I153-V157 HydrophobicContact CG2-CG1 3.76Å; I153-L158 HydrophobicContact CB-CD2 3.94Å; I153-L158 HydrophobicContact CB-CG 4.15Å; I153-L158 HydrophobicContact CD1-CD2 4.42Å; I153-L158 HydrophobicContact CG2-CD2 3.72Å; I153-L158 HydrophobicContact CG2-CG 3.84Å; I153-L251 HydrophobicContact CD1-CB 4.23Å; I153-L251 HydrophobicContact CD1-CD2 3.91Å; I153-Y285 WeakPolarHBondContact O-CE1 3.49Å; I153-Y285 PolarHBondContact O-OH 2.88Å; I153-F331 HydrophobicContact CB-CZ 4.35Å; I153-F331 HydrophobicContact CG1-CE1 4.31Å; I153-F331 HydrophobicContact CG1-CZ 4.13Å; I153-F331 HydrophobicContact CG2-CE1 4.07Å; I153-F331 HydrophobicContact CG2-CZ 4.27Å
154	P	96.9	Very high	96.7	Very high	48 Å²	48	46.7 Å²	46.7	31%	0.312	25%	0.245	S	C	.	.			trans	-57.3	143.1	179.7	-28	36.6	0	0	0	112.7	Y152 N156 V157 L158 F331	Y152-P154 WeakPolarHBondContact O-CD 3.36Å; P154-N156 WeakPolarHBondContact CB-OD1 3.43Å; P154-N156 PolarHBondContact O-N 3.39Å; P154-V157 HydrophobicContact CB-CG2 4.19Å; P154-V157 HydrophobicContact CG-CG2 4.42Å; P154-V157 WeakPolarHBondContact O-CA 3.41Å; P154-V157 WeakPolarHBondContact O-CB 3.4Å; P154-V157 PolarHBondContact O-N 3.43Å; P154-L158 PolarHBondContact O-N 2.75Å; P154-F331 VanDerWaalsContact CD-CD2 3.5Å; P154-F331 HydrophobicContact CG-CD2 3.76Å; P154-F331 HydrophobicContact CG-CE2 3.9Å; P154-F331 HydrophobicContact CG-CG 4.47Å
155	E	96.6	Very high	96.7	Very high	41 Å²	41	42 Å²	42	19%	0.192	22%	0.22	C	C	.	.	H	α-helix	trans	-58.9	-35.1	-175.3	-173.2	175.5	140.7	0	0	113.1	V157 L158 K159 Y285 S286 F315	E155-V157 VanDerWaalsContact C-N 3.28Å; E155-V157 PolarHBondContact O-N 3.5Å; E155-L158 PolarHBondContact O-N 3.26Å; E155-K159 VanDerWaalsContact O-CB 3.24Å; E155-K159 WeakPolarHBondContact O-CB 3.34Å; E155-K159 PolarHBondContact O-N 3.35Å; E155-Y285 HydrophobicContact CB-CD1 4.08Å; E155-Y285 HydrophobicContact CG-CD1 4.37Å; E155-Y285 WeakPolarHBondContact OE2-CA 3.49Å; E155-S286 VanDerWaalsContact CD-OG 3.3Å; E155-S286 VanDerWaalsContact OE1-CB 3.23Å; E155-S286 WeakPolarHBondContact OE1-CB 3.42Å; E155-S286 PolarHBondContact OE1-OG 3.06Å; E155-S286 WeakPolarHBondContact OE2-CB 3.06Å; E155-S286 PolarHBondContact OE2-N 3.46Å; E155-S286 PolarHBondContact OE2-OG 3.05Å; E155-F315 HydrophobicContact CG-CE2 3.87Å; E155-F315 HydrophobicContact CG-CZ 4.45Å
156	N	95.4	Very high	96.7	Very high	55 Å²	55	37.9 Å²	37.9	29%	0.294	20%	0.202	S	C	.	.	H	α-helix	trans	-62.2	-34.9	174.9	59.9	-52.9	0	0	0	112.5	P154 H160 Y324 T327	P154-N156 WeakPolarHBondContact CB-OD1 3.43Å; P154-N156 PolarHBondContact O-N 3.39Å; N156-H160 PolarHBondContact O-N 3.48Å; N156-H160 VanDerWaalsContact O-N 3.1Å; N156-Y324 HydrophobicContact CB-CD1 3.91Å; N156-Y324 HydrophobicContact CB-CE1 3.65Å; N156-Y324 VanDerWaalsContact O-CD1 3.27Å; N156-Y324 WeakPolarHBondContact O-CD1 3.38Å; N156-T327 WeakPolarHBondContact ND2-CB 3.38Å; N156-T327 PolarHBondContact ND2-OG1 3.19Å
157	V	97	Very high	96.5	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.006	20%	0.202	C	C	.	.	H	α-helix	trans	-72.8	-44.9	175.5	179.7	0	0	0	0	110.1	I153 P154 E155 K159 H160 I161 T328 F331	I153-V157 HydrophobicContact CG2-CB 3.83Å; I153-V157 HydrophobicContact CG2-CG1 3.76Å; P154-V157 HydrophobicContact CB-CG2 4.19Å; P154-V157 HydrophobicContact CG-CG2 4.42Å; P154-V157 WeakPolarHBondContact O-CA 3.41Å; P154-V157 WeakPolarHBondContact O-CB 3.4Å; P154-V157 PolarHBondContact O-N 3.43Å; E155-V157 VanDerWaalsContact C-N 3.28Å; E155-V157 PolarHBondContact O-N 3.5Å; V157-K159 VanDerWaalsContact C-N 3.27Å; V157-K159 PolarHBondContact O-N 3.2Å; V157-H160 WeakPolarHBondContact O-CB 3.39Å; V157-H160 PolarHBondContact O-N 3.45Å; V157-H160 VanDerWaalsContact O-N 3.16Å; V157-I161 HydrophobicContact CG1-CD1 3.89Å; V157-I161 WeakPolarHBondContact O-CG1 3.44Å; V157-I161 PolarHBondContact O-N 3.03Å; V157-T328 HydrophobicContact CG1-CG2 4.21Å; V157-F331 HydrophobicContact CG1-CD1 4.01Å; V157-F331 HydrophobicContact CG1-CE1 4.45Å; V157-F331 HydrophobicContact CG2-CB 3.85Å; V157-F331 HydrophobicContact CG2-CD1 4.15Å; V157-F331 HydrophobicContact CG2-CG 4.02Å
158	L	97.6	Very high	96.4	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-58.1	-40.8	173.7	-68.2	178.7	0	0	0	112	I153 P154 E155 I161 T162 L251 A252 Y285 L289 F315	I153-L158 HydrophobicContact CB-CD2 3.94Å; I153-L158 HydrophobicContact CB-CG 4.15Å; I153-L158 HydrophobicContact CD1-CD2 4.42Å; I153-L158 HydrophobicContact CG2-CD2 3.72Å; I153-L158 HydrophobicContact CG2-CG 3.84Å; P154-L158 PolarHBondContact O-N 2.75Å; E155-L158 PolarHBondContact O-N 3.26Å; L158-I161 PolarHBondContact O-N 3.05Å; L158-T162 VanDerWaalsContact O-CB 3.29Å; L158-T162 WeakPolarHBondContact O-CB 3.49Å; L158-T162 PolarHBondContact O-N 3.38Å; L158-T162 PolarHBondContact O-OG1 3.18Å; L158-L251 HydrophobicContact CD2-CB 3.68Å; L158-A252 HydrophobicContact CD1-CB 3.84Å; L158-Y285 HydrophobicContact CD1-CD1 4.05Å; L158-Y285 HydrophobicContact CD1-CE1 3.37Å; L158-L289 HydrophobicContact CD1-CD2 3.96Å; L158-F315 HydrophobicContact CB-CZ 4.48Å
159	K	96.6	Very high	96.2	Very high	25 Å²	25	29.9 Å²	29.9	11%	0.109	15%	0.152	C	C	.	.	H	α-helix	trans	-62.9	-42.9	176.7	-172.3	178.8	-64.9	-159.8	0	111.7	E155 V157 T162 F163 F315 I316 V319 Y324	E155-K159 VanDerWaalsContact O-CB 3.24Å; E155-K159 WeakPolarHBondContact O-CB 3.34Å; E155-K159 PolarHBondContact O-N 3.35Å; V157-K159 VanDerWaalsContact C-N 3.27Å; V157-K159 PolarHBondContact O-N 3.2Å; K159-T162 PolarHBondContact O-N 2.85Å; K159-F163 WeakPolarHBondContact O-CB 3.25Å; K159-F163 PolarHBondContact O-N 3.35Å; K159-F315 HydrophobicContact CB-CE1 4.31Å; K159-F315 HydrophobicContact CB-CE2 4Å; K159-F315 HydrophobicContact CB-CZ 3.71Å; K159-F315 WeakPolarHBondContact CD-O 3.4Å; K159-F315 WeakPolarHBondContact CE-O 3.1Å; K159-F315 HydrophobicContact CG-CE2 4.26Å; K159-F315 HydrophobicContact CG-CZ 4.2Å; K159-F315 WeakPolarHBondContact CG-O 3.5Å; K159-F315 PolarHBondContact NZ-O 3.47Å; K159-I316 HydrophobicContact CG-CG2 4.3Å; K159-V319 HydrophobicContact CD-CG2 3.83Å; K159-V319 HydrophobicContact CG-CG2 3.58Å; K159-Y324 HydrophobicContact CD-CE1 4.19Å; K159-Y324 HydrophobicContact CD-CE2 4.39Å
160	H	96.9	Very high	96	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.009	13%	0.131	C	C	.	.	H	α-helix	trans	-62.7	-47.5	175.6	-169.9	-153.1	0	0	0	112.3	N156 V157 F163 S164 G194 Y324 T328	N156-H160 PolarHBondContact O-N 3.48Å; N156-H160 VanDerWaalsContact O-N 3.1Å; V157-H160 WeakPolarHBondContact O-CB 3.39Å; V157-H160 PolarHBondContact O-N 3.45Å; V157-H160 VanDerWaalsContact O-N 3.16Å; H160-F163 PolarHBondContact O-N 3.08Å; H160-S164 WeakPolarHBondContact O-CB 3.31Å; H160-S164 PolarHBondContact O-N 3.02Å; H160-S164 PolarHBondContact O-OG 2.86Å; H160-G194 PolarHBondContact CE1-O 2.93Å; H160-Y324 HydrophobicContact CB-CG 4.48Å; H160-T328 PolarHBondContact ND1-OG1 3.09Å
161	I	98	Very high	95.8	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.005	10%	0.1	C	C	.	.	H	α-helix	trans	-56.7	-53.3	175.9	-69.3	160.4	0	0	0	109.4	L139 V157 L158 F163 S164 I165 M188 I196 I248 L251	L139-I161 HydrophobicContact CD1-CB 4.42Å; L139-I161 HydrophobicContact CD1-CD1 3.87Å; L139-I161 HydrophobicContact CD1-CG1 4Å; L139-I161 HydrophobicContact CD1-CG2 3.53Å; L139-I161 HydrophobicContact CD2-CD1 4.29Å; V157-I161 HydrophobicContact CG1-CD1 3.89Å; V157-I161 WeakPolarHBondContact O-CG1 3.44Å; V157-I161 PolarHBondContact O-N 3.03Å; L158-I161 PolarHBondContact O-N 3.05Å; I161-F163 PolarHBondContact O-N 2.88Å; I161-S164 WeakPolarHBondContact O-CB 3.46Å; I161-S164 PolarHBondContact O-N 2.63Å; I161-S164 VanDerWaalsContact O-N 3.15Å; I161-I165 HydrophobicContact CG2-CG1 4.34Å; I161-I165 WeakPolarHBondContact O-CG1 2.99Å; I161-I165 PolarHBondContact O-N 2.94Å; I161-M188 HydrophobicContact CG2-SD 4.38Å; I161-I196 HydrophobicContact CG1-CD1 3.96Å; I161-I196 HydrophobicContact CG1-CG1 4.05Å; I161-I196 HydrophobicContact CG1-CG2 4.41Å; I161-I248 HydrophobicContact CG2-CD1 4.08Å; I161-L251 HydrophobicContact CG2-CD1 4.16Å
162	T	98.1	Very high	95.3	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-58.3	-48.3	-177	-56	0	0	0	0	111.5	L158 K159 S164 I165 V166 I248 F292 F315 I316	L158-T162 VanDerWaalsContact O-CB 3.29Å; L158-T162 WeakPolarHBondContact O-CB 3.49Å; L158-T162 PolarHBondContact O-N 3.38Å; L158-T162 PolarHBondContact O-OG1 3.18Å; K159-T162 PolarHBondContact O-N 2.85Å; T162-S164 VanDerWaalsContact C-N 3.35Å; T162-S164 PolarHBondContact O-N 3.3Å; T162-I165 PolarHBondContact O-N 3.22Å; T162-V166 HydrophobicContact CG2-CG2 4.27Å; T162-V166 WeakPolarHBondContact O-CB 3.13Å; T162-V166 VanDerWaalsContact O-CG2 3.24Å; T162-V166 WeakPolarHBondContact O-CG2 3.15Å; T162-V166 PolarHBondContact O-N 2.98Å; T162-I248 HydrophobicContact CG2-CG1 4.41Å; T162-I248 WeakPolarHBondContact OG1-CD1 3.42Å; T162-F292 HydrophobicContact CG2-CD1 4.12Å; T162-F292 HydrophobicContact CG2-CE1 3.36Å; T162-F292 HydrophobicContact CG2-CE2 3.89Å; T162-F292 HydrophobicContact CG2-CZ 3.22Å; T162-F315 HydrophobicContact CG2-CD1 4.24Å; T162-F315 HydrophobicContact CG2-CE1 4.11Å; T162-I316 HydrophobicContact CG2-CG2 3.81Å
163	F	97.2	Very high	94.8	Very high	10 Å²	10	15.9 Å²	15.9	4%	0.044	7%	0.074	C	C	.	.	H	α-helix	trans	-60.5	-43.9	177.3	176	-91.3	0	0	0	112.4	F10 F114 K159 H160 I161 S167 I316 V319 V321	F10-F163 HydrophobicContact CE1-CE1 4.31Å; F10-F163 AromaticContact CE1-CZ 3.95Å; F10-F163 HydrophobicContact CE1-CZ 3.95Å; F10-F163 HydrophobicContact CZ-CZ 4.3Å; F114-F163 HydrophobicContact CE2-CD1 4.36Å; F114-F163 AromaticContact CE2-CE1 3.86Å; F114-F163 HydrophobicContact CE2-CE1 3.86Å; F114-F163 HydrophobicContact CZ-CD1 4.25Å; F114-F163 AromaticContact CZ-CE1 3.94Å; F114-F163 HydrophobicContact CZ-CE1 3.94Å; K159-F163 WeakPolarHBondContact O-CB 3.25Å; K159-F163 PolarHBondContact O-N 3.35Å; H160-F163 PolarHBondContact O-N 3.08Å; I161-F163 PolarHBondContact O-N 2.88Å; F163-S167 VanDerWaalsContact O-CB 3.24Å; F163-S167 WeakPolarHBondContact O-CB 3.46Å; F163-S167 PolarHBondContact O-N 3.04Å; F163-S167 PolarHBondContact O-OG 3.29Å; F163-I316 HydrophobicContact CB-CB 4.28Å; F163-I316 HydrophobicContact CB-CG2 4.3Å; F163-I316 HydrophobicContact CD2-CB 4.35Å; F163-V319 HydrophobicContact CB-CB 4.18Å; F163-V319 HydrophobicContact CB-CG1 3.94Å; F163-V319 HydrophobicContact CB-CG2 3.98Å; F163-V319 HydrophobicContact CD1-CB 4.46Å; F163-V319 HydrophobicContact CD1-CG1 3.86Å; F163-V319 HydrophobicContact CD2-CB 3.89Å; F163-V319 HydrophobicContact CD2-CG1 4.19Å; F163-V319 HydrophobicContact CD2-CG2 4.27Å; F163-V319 HydrophobicContact CE1-CG1 4.45Å; F163-V319 HydrophobicContact CE2-CB 4.43Å; F163-V319 HydrophobicContact CG-CB 3.9Å; F163-V319 HydrophobicContact CG-CG1 3.71Å; F163-V319 HydrophobicContact CG-CG2 4.22Å; F163-V321 HydrophobicContact CD1-CG2 3.91Å; F163-V321 HydrophobicContact CE1-CG2 3.43Å; F163-V321 VanDerWaalsContact CE1-CG2 3.43Å; F163-V321 HydrophobicContact CZ-CG2 4.23Å
164	S	96.4	Very high	94.3	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-60.9	-47.2	-179.7	-57.4	0	0	0	0	111	F114 H160 I161 T162 S167 A168	F114-S164 VanDerWaalsContact CB-O 3.25Å; F114-S164 WeakPolarHBondContact CB-O 3.25Å; F114-S164 VanDerWaalsContact CD1-CB 3.46Å; F114-S164 WeakPolarHBondContact CD1-OG 3.49Å; F114-S164 WeakPolarHBondContact CE1-OG 3.42Å; H160-S164 WeakPolarHBondContact O-CB 3.31Å; H160-S164 PolarHBondContact O-N 3.02Å; H160-S164 PolarHBondContact O-OG 2.86Å; I161-S164 WeakPolarHBondContact O-CB 3.46Å; I161-S164 PolarHBondContact O-N 2.63Å; I161-S164 VanDerWaalsContact O-N 3.15Å; T162-S164 VanDerWaalsContact C-N 3.35Å; T162-S164 PolarHBondContact O-N 3.3Å; S164-S167 PolarHBondContact O-N 3.11Å; S164-A168 WeakPolarHBondContact O-CB 3.23Å; S164-A168 PolarHBondContact O-N 3.43Å
165	I	97.2	Very high	93.6	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-71.2	-41.9	-179.1	-57.6	-54.9	0	0	0	112.1	I161 T162 S167 A168 L169 M188 I196 L198 L244	I161-I165 HydrophobicContact CG2-CG1 4.34Å; I161-I165 WeakPolarHBondContact O-CG1 2.99Å; I161-I165 PolarHBondContact O-N 2.94Å; T162-I165 PolarHBondContact O-N 3.22Å; I165-S167 VanDerWaalsContact C-N 3.29Å; I165-S167 PolarHBondContact O-N 3.28Å; I165-A168 WeakPolarHBondContact O-CB 3.24Å; I165-A168 PolarHBondContact O-N 3.32Å; I165-L169 HydrophobicContact CG2-CD1 4.02Å; I165-L169 HydrophobicContact CG2-CG 4.34Å; I165-L169 WeakPolarHBondContact O-CB 3.29Å; I165-L169 WeakPolarHBondContact O-CG 3.05Å; I165-L169 PolarHBondContact O-N 3.1Å; I165-M188 HydrophobicContact CD1-CB 4.28Å; I165-M188 HydrophobicContact CD1-CG 3.78Å; I165-M188 HydrophobicContact CD1-SD 4.22Å; I165-M188 HydrophobicContact CG1-CE 4.24Å; I165-M188 HydrophobicContact CG1-CG 4.12Å; I165-M188 HydrophobicContact CG1-SD 3.88Å; I165-M188 HydrophobicContact CG2-CE 4.1Å; I165-I196 HydrophobicContact CD1-CG2 4.22Å; I165-L198 HydrophobicContact CD1-CB 3.91Å; I165-L198 HydrophobicContact CD1-CD1 4.3Å; I165-L244 HydrophobicContact CB-CD1 4.2Å; I165-L244 HydrophobicContact CG2-CD1 3.76Å
166	V	96.8	Very high	92.7	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-61.6	-40.6	174.8	174.5	0	0	0	0	110.7	T162 L169 Y170 L244 F292 L310 L311 I316	T162-V166 HydrophobicContact CG2-CG2 4.27Å; T162-V166 WeakPolarHBondContact O-CB 3.13Å; T162-V166 VanDerWaalsContact O-CG2 3.24Å; T162-V166 WeakPolarHBondContact O-CG2 3.15Å; T162-V166 PolarHBondContact O-N 2.98Å; V166-L169 PolarHBondContact O-N 2.86Å; V166-Y170 VanDerWaalsContact O-CB 3.3Å; V166-Y170 WeakPolarHBondContact O-CB 3.42Å; V166-Y170 PolarHBondContact O-N 3.25Å; V166-L244 HydrophobicContact CG2-CD2 3.48Å; V166-L244 VanDerWaalsContact CG2-CD2 3.48Å; V166-F292 HydrophobicContact CG2-CZ 3.98Å; V166-L310 HydrophobicContact CG1-CB 4.06Å; V166-L310 HydrophobicContact CG2-CB 4.45Å; V166-L310 HydrophobicContact CG2-CD1 4.2Å; V166-L311 HydrophobicContact CG1-CD2 3.72Å; V166-L311 HydrophobicContact CG1-CG 3.77Å; V166-I316 HydrophobicContact CB-CD1 4.03Å; V166-I316 HydrophobicContact CG1-CD1 4.07Å; V166-I316 HydrophobicContact CG2-CD1 4Å
167	S	93.8	Very high	91.9	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.007	12%	0.116	C	C	.	.	H	α-helix	trans	-65.1	-43.3	177	-60.4	0	0	0	0	111.9	F10 F163 S164 I165 Y170 Y171	F10-S167 WeakPolarHBondContact CE1-OG 3.39Å; F163-S167 VanDerWaalsContact O-CB 3.24Å; F163-S167 WeakPolarHBondContact O-CB 3.46Å; F163-S167 PolarHBondContact O-N 3.04Å; F163-S167 PolarHBondContact O-OG 3.29Å; S164-S167 PolarHBondContact O-N 3.11Å; I165-S167 VanDerWaalsContact C-N 3.29Å; I165-S167 PolarHBondContact O-N 3.28Å; S167-Y170 PolarHBondContact O-N 2.96Å; S167-Y171 WeakPolarHBondContact O-CB 3.49Å; S167-Y171 PolarHBondContact O-N 3.43Å
168	A	93.1	Very high	91	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-58.5	-49.4	173.7	0	0	0	0	0	112	F114 L115 S164 I165 Y171 L172 L198	F114-A168 HydrophobicContact CB-CB 4Å; F114-A168 WeakPolarHBondContact O-CB 3.49Å; L115-A168 HydrophobicContact CD2-CB 3.65Å; L115-A168 HydrophobicContact CG-CB 4.34Å; S164-A168 WeakPolarHBondContact O-CB 3.23Å; S164-A168 PolarHBondContact O-N 3.43Å; I165-A168 WeakPolarHBondContact O-CB 3.24Å; I165-A168 PolarHBondContact O-N 3.32Å; A168-Y171 PolarHBondContact O-N 3.25Å; A168-L172 WeakPolarHBondContact O-CG 3.49Å; A168-L172 PolarHBondContact O-N 3.42Å; A168-L198 HydrophobicContact CB-CB 4.11Å; A168-L198 HydrophobicContact CB-CD2 4.06Å
169	L	93	Very high	90.1	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.005	14%	0.136	C	C	.	.	H	α-helix	trans	-63.3	-41.3	178.4	-75.6	174.6	0	0	0	112.8	I165 V166 Y171 L172 R173 H180 I183 L198 D240 L244 Y307	I165-L169 HydrophobicContact CG2-CD1 4.02Å; I165-L169 HydrophobicContact CG2-CG 4.34Å; I165-L169 WeakPolarHBondContact O-CB 3.29Å; I165-L169 WeakPolarHBondContact O-CG 3.05Å; I165-L169 PolarHBondContact O-N 3.1Å; V166-L169 PolarHBondContact O-N 2.86Å; L169-Y171 VanDerWaalsContact C-N 3.33Å; L169-Y171 PolarHBondContact O-N 3.27Å; L169-L172 HydrophobicContact CD2-CD1 4.38Å; L169-L172 PolarHBondContact O-N 3.21Å; L169-R173 WeakPolarHBondContact O-CB 3.28Å; L169-R173 PolarHBondContact O-N 3.09Å; L169-H180 HydrophobicContact CD2-CB 3.99Å; L169-I183 HydrophobicContact CD1-CD1 4.41Å; L169-I183 HydrophobicContact CD1-CG1 4.39Å; L169-I183 HydrophobicContact CD2-CD1 3.68Å; L169-I183 HydrophobicContact CD2-CG1 4.08Å; L169-I183 HydrophobicContact CG-CD1 4.37Å; L169-L198 HydrophobicContact CD2-CD2 4.15Å; L169-L198 HydrophobicContact CG-CD2 4.31Å; L169-D240 HydrophobicContact CD2-CB 4.3Å; L169-L244 HydrophobicContact CD1-CD2 4.44Å; L169-Y307 HydrophobicContact CB-CD1 4.26Å; L169-Y307 HydrophobicContact CB-CE1 3.63Å; L169-Y307 HydrophobicContact CD1-CE1 4.01Å; L169-Y307 HydrophobicContact CG-CE1 4.38Å
170	Y	92.5	Very high	89.5	Confident	21 Å²	21	27.7 Å²	27.7	8%	0.082	13%	0.131	C	C	.	.	H	α-helix	trans	-57.4	-48.9	174	-176.8	-80.1	0	0	0	110.5	V166 S167 R173 F174 L311	V166-Y170 VanDerWaalsContact O-CB 3.3Å; V166-Y170 WeakPolarHBondContact O-CB 3.42Å; V166-Y170 PolarHBondContact O-N 3.25Å; S167-Y170 PolarHBondContact O-N 2.96Å; Y170-R173 PolarHBondContact O-N 2.93Å; Y170-F174 HydrophobicContact CD1-CB 4.49Å; Y170-F174 AromaticContact CD1-CD2 3.82Å; Y170-F174 HydrophobicContact CD1-CD2 3.82Å; Y170-F174 AromaticContact CD2-CD2 3.47Å; Y170-F174 HydrophobicContact CD2-CD2 3.47Å; Y170-F174 VanDerWaalsContact CD2-CD2 3.47Å; Y170-F174 AromaticContact CD2-CE2 3.47Å; Y170-F174 HydrophobicContact CD2-CE2 3.47Å; Y170-F174 VanDerWaalsContact CD2-CE2 3.47Å; Y170-F174 HydrophobicContact CE1-CB 4.12Å; Y170-F174 AromaticContact CE1-CD2 3.72Å; Y170-F174 HydrophobicContact CE1-CD2 3.72Å; Y170-F174 HydrophobicContact CE1-CG 4.22Å; Y170-F174 AromaticContact CE2-CD2 3.37Å; Y170-F174 HydrophobicContact CE2-CD2 3.37Å; Y170-F174 AromaticContact CE2-CE2 3.35Å; Y170-F174 HydrophobicContact CE2-CE2 3.35Å; Y170-F174 HydrophobicContact CE2-CG 4.34Å; Y170-F174 HydrophobicContact CE2-CZ 4.33Å; Y170-F174 AromaticContact CG-CD2 3.69Å; Y170-F174 HydrophobicContact CG-CD2 3.69Å; Y170-F174 HydrophobicContact CG-CE2 4.13Å; Y170-F174 AromaticContact CZ-CD2 3.5Å; Y170-F174 VanDerWaalsContact CZ-CD2 3.5Å; Y170-F174 AromaticContact CZ-CE2 3.94Å; Y170-F174 VanDerWaalsContact O-CD2 3.32Å; Y170-F174 WeakPolarHBondContact O-CD2 3.27Å; Y170-F174 PolarHBondContact O-N 3.3Å; Y170-L311 HydrophobicContact CD2-CD1 3.42Å; Y170-L311 VanDerWaalsContact CD2-CD1 3.42Å; Y170-L311 HydrophobicContact CE2-CD1 3.88Å; Y170-L311 HydrophobicContact CG-CD1 3.92Å
171	Y	89.4	Confident	88.8	Confident	42 Å²	42	30.8 Å²	30.8	17%	0.165	14%	0.142	C	C	.	.	H	α-helix	trans	-62.6	-47.4	179.1	-179	-108.8	0	0	0	112.3	H110 H112 L115 S167 A168 L169 R173 D175 M176	H110-Y171 HydrophobicContact CB-CE1 4.11Å; H110-Y171 WeakPolarHBondContact CB-OH 3.41Å; H112-Y171 HydrophobicContact CB-CD1 3.74Å; H112-Y171 HydrophobicContact CB-CE1 3.74Å; H112-Y171 HydrophobicContact CB-CG 4.43Å; H112-Y171 AromaticContact CD2-CD1 3.71Å; H112-Y171 AromaticContact CD2-CD2 3.87Å; H112-Y171 AromaticContact CD2-CG 3.5Å; H112-Y171 VanDerWaalsContact CD2-CG 3.5Å; H112-Y171 AromaticContact CG-CD1 3.74Å; H112-Y171 AromaticContact CG-CG 4Å; L115-Y171 HydrophobicContact CD1-CD1 3.67Å; L115-Y171 HydrophobicContact CD1-CE1 4.03Å; S167-Y171 WeakPolarHBondContact O-CB 3.49Å; S167-Y171 PolarHBondContact O-N 3.43Å; A168-Y171 PolarHBondContact O-N 3.25Å; L169-Y171 VanDerWaalsContact C-N 3.33Å; L169-Y171 PolarHBondContact O-N 3.27Å; Y171-R173 PolarHBondContact O-N 3.36Å; Y171-D175 HydrophobicContact CD2-CB 3.49Å; Y171-D175 VanDerWaalsContact CD2-CB 3.49Å; Y171-D175 WeakPolarHBondContact CD2-OD2 3.16Å; Y171-D175 HydrophobicContact CE2-CB 3.4Å; Y171-D175 HydrophobicContact CG-CB 4.28Å; Y171-D175 WeakPolarHBondContact O-CB 3.38Å; Y171-D175 PolarHBondContact O-N 3.15Å; Y171-M176 HydrophobicContact CD1-CE 4.03Å; Y171-M176 HydrophobicContact CD1-SD 4.43Å; Y171-M176 HydrophobicContact CE1-CE 3.36Å; Y171-M176 HydrophobicContact CE1-CG 4.38Å; Y171-M176 HydrophobicContact CE1-SD 4.23Å; Y171-M176 PolarHBondContact O-N 3.13Å
172	L	85.9	Confident	88.2	Confident	3 Å²	3	31.3 Å²	31.3	2%	0.016	15%	0.145	C	C	.	.	H	α-helix	trans	-52.7	-44.8	173.4	-70.3	177	0	0	0	110.7	I106 L115 A168 L169 M176 N177 M178 H180 L198 F201	I106-L172 HydrophobicContact CG2-CD2 3.93Å; L115-L172 HydrophobicContact CD1-CD2 3.77Å; L115-L172 HydrophobicContact CD1-CG 4.31Å; L115-L172 HydrophobicContact CD2-CD1 4.18Å; L115-L172 HydrophobicContact CD2-CD2 4.1Å; L115-L172 HydrophobicContact CD2-CG 4.05Å; A168-L172 WeakPolarHBondContact O-CG 3.49Å; A168-L172 PolarHBondContact O-N 3.42Å; L169-L172 HydrophobicContact CD2-CD1 4.38Å; L169-L172 PolarHBondContact O-N 3.21Å; L172-M176 HydrophobicContact CD2-CE 4.49Å; L172-M176 HydrophobicContact CD2-SD 3.45Å; L172-M176 WeakPolarHBondContact CD2-SD 3.15Å; L172-M176 CarbonylContact O-C 3.55Å; L172-M176 WeakPolarHBondContact O-CB 3.38Å; L172-M176 PolarHBondContact O-N 3.02Å; L172-N177 PolarHBondContact O-N 3.33Å; L172-N177 VanDerWaalsContact O-N 3.1Å; L172-M178 CarbonylContact C-O 3.6Å; L172-M178 PolarHBondContact O-N 2.8Å; L172-H180 HydrophobicContact CD1-CB 4.15Å; L172-L198 HydrophobicContact CD1-CD2 4.25Å; L172-F201 HydrophobicContact CD1-CD1 4.36Å; L172-F201 HydrophobicContact CD1-CE1 4.22Å; L172-F201 HydrophobicContact CD2-CE1 4.4Å
173	R	84.4	Confident	87.9	Confident	81 Å²	81	31.3 Å²	31.3	31%	0.306	15%	0.145	S	C	.	.	H	α-helix	trans	-72.8	-52.5	-176.8	175	55.8	-174	139.5	1.9	113.8	L169 Y170 Y171 N177 M178 V237 Y307	L169-R173 WeakPolarHBondContact O-CB 3.28Å; L169-R173 PolarHBondContact O-N 3.09Å; Y170-R173 PolarHBondContact O-N 2.93Å; Y171-R173 PolarHBondContact O-N 3.36Å; R173-N177 PolarHBondContact NH1-OD1 3.09Å; R173-N177 WeakPolarHBondContact O-CA 3.12Å; R173-N177 PolarHBondContact O-N 2.79Å; R173-M178 WeakPolarHBondContact CA-O 3.42Å; R173-V237 VanDerWaalsContact CD-CG2 3.44Å; R173-V237 HydrophobicContact CG-CG2 4Å; R173-Y307 HydrophobicContact CB-CD2 4.07Å; R173-Y307 HydrophobicContact CB-CE2 3.61Å; R173-Y307 HydrophobicContact CG-CD2 4.23Å; R173-Y307 HydrophobicContact CG-CE2 3.93Å
174	F	86.7	Confident	87.8	Confident	100 Å²	100	31.9 Å²	31.9	44%	0.439	15%	0.148	S	C	.	.	H	α-helix	trans	-91.3	-28.3	-167.1	-68.1	-72.1	0	0	0	113.3	Y170 Y307	Y170-F174 HydrophobicContact CD1-CB 4.49Å; Y170-F174 AromaticContact CD1-CD2 3.82Å; Y170-F174 HydrophobicContact CD1-CD2 3.82Å; Y170-F174 AromaticContact CD2-CD2 3.47Å; Y170-F174 HydrophobicContact CD2-CD2 3.47Å; Y170-F174 VanDerWaalsContact CD2-CD2 3.47Å; Y170-F174 AromaticContact CD2-CE2 3.47Å; Y170-F174 HydrophobicContact CD2-CE2 3.47Å; Y170-F174 VanDerWaalsContact CD2-CE2 3.47Å; Y170-F174 HydrophobicContact CE1-CB 4.12Å; Y170-F174 AromaticContact CE1-CD2 3.72Å; Y170-F174 HydrophobicContact CE1-CD2 3.72Å; Y170-F174 HydrophobicContact CE1-CG 4.22Å; Y170-F174 AromaticContact CE2-CD2 3.37Å; Y170-F174 HydrophobicContact CE2-CD2 3.37Å; Y170-F174 AromaticContact CE2-CE2 3.35Å; Y170-F174 HydrophobicContact CE2-CE2 3.35Å; Y170-F174 HydrophobicContact CE2-CG 4.34Å; Y170-F174 HydrophobicContact CE2-CZ 4.33Å; Y170-F174 AromaticContact CG-CD2 3.69Å; Y170-F174 HydrophobicContact CG-CD2 3.69Å; Y170-F174 HydrophobicContact CG-CE2 4.13Å; Y170-F174 AromaticContact CZ-CD2 3.5Å; Y170-F174 VanDerWaalsContact CZ-CD2 3.5Å; Y170-F174 AromaticContact CZ-CE2 3.94Å; Y170-F174 VanDerWaalsContact O-CD2 3.32Å; Y170-F174 WeakPolarHBondContact O-CD2 3.27Å; Y170-F174 PolarHBondContact O-N 3.3Å; F174-Y307 AromaticContact CE2-CD2 3.95Å; F174-Y307 HydrophobicContact CE2-CD2 3.95Å
175	D	83.2	Confident	87.8	Confident	81 Å²	81	32 Å²	32	43%	0.433	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-31.5	-179	-62.4	-108.9	0	0	0	112	Y171	Y171-D175 HydrophobicContact CD2-CB 3.49Å; Y171-D175 VanDerWaalsContact CD2-CB 3.49Å; Y171-D175 WeakPolarHBondContact CD2-OD2 3.16Å; Y171-D175 HydrophobicContact CE2-CB 3.4Å; Y171-D175 HydrophobicContact CG-CB 4.28Å; Y171-D175 WeakPolarHBondContact O-CB 3.38Å; Y171-D175 PolarHBondContact O-N 3.15Å
176	M	78.7	Confident	87.6	Confident	29 Å²	29	33.6 Å²	33.6	14%	0.143	16%	0.161	C	C	.	.	S	Bend	trans	-109.1	-11.4	179.9	-54.6	170.8	161	0	0	114.6	I106 H110 L115 Y171 L172 M178	I106-M176 HydrophobicContact CG2-CE 3.81Å; I106-M176 HydrophobicContact CG2-SD 4.02Å; H110-M176 HydrophobicContact CB-CE 2.96Å; L115-M176 HydrophobicContact CD1-CE 4.14Å; Y171-M176 HydrophobicContact CD1-CE 4.03Å; Y171-M176 HydrophobicContact CD1-SD 4.43Å; Y171-M176 HydrophobicContact CE1-CE 3.36Å; Y171-M176 HydrophobicContact CE1-CG 4.38Å; Y171-M176 HydrophobicContact CE1-SD 4.23Å; Y171-M176 PolarHBondContact O-N 3.13Å; L172-M176 HydrophobicContact CD2-CE 4.49Å; L172-M176 HydrophobicContact CD2-SD 3.45Å; L172-M176 WeakPolarHBondContact CD2-SD 3.15Å; L172-M176 CarbonylContact O-C 3.55Å; L172-M176 WeakPolarHBondContact O-CB 3.38Å; L172-M176 PolarHBondContact O-N 3.02Å; M176-M178 VanDerWaalsContact C-N 3.27Å; M176-M178 HydrophobicContact CB-CB 4.32Å; M176-M178 HydrophobicContact CB-CG 3.82Å; M176-M178 HydrophobicContact CB-SD 4.15Å; M176-M178 WeakPolarHBondContact O-CG 3.45Å; M176-M178 PolarHBondContact O-N 2.63Å; M176-M178 HydrophobicContact SD-SD 4.34Å
177	N	78.2	Confident	87.4	Confident	124 Å²	124	34.2 Å²	34.2	66%	0.663	17%	0.165	S	C	*	.			trans	57.8	38.3	-173.5	-170.9	53.5	0	0	0	113.2	L172 R173	L172-N177 PolarHBondContact O-N 3.33Å; L172-N177 VanDerWaalsContact O-N 3.1Å; R173-N177 PolarHBondContact NH1-OD1 3.09Å; R173-N177 WeakPolarHBondContact O-CA 3.12Å; R173-N177 PolarHBondContact O-N 2.79Å
178	M	77.8	Confident	87.6	Confident	47 Å²	47	34.2 Å²	34.2	23%	0.232	17%	0.165	C	C	.	.			trans	-115	158.6	-179.2	-60.6	-170.4	73.4	0	0	112.3	I106 L172 R173 M176 A204 V205	I106-M178 HydrophobicContact CD1-CE 3.45Å; I106-M178 VanDerWaalsContact CD1-CE 3.45Å; I106-M178 HydrophobicContact CD1-SD 3.69Å; I106-M178 HydrophobicContact CG1-CE 3.93Å; I106-M178 HydrophobicContact CG1-SD 3.59Å; I106-M178 VanDerWaalsContact CG1-SD 3.59Å; L172-M178 CarbonylContact C-O 3.6Å; L172-M178 PolarHBondContact O-N 2.8Å; R173-M178 WeakPolarHBondContact CA-O 3.42Å; M176-M178 VanDerWaalsContact C-N 3.27Å; M176-M178 HydrophobicContact CB-CB 4.32Å; M176-M178 HydrophobicContact CB-CG 3.82Å; M176-M178 HydrophobicContact CB-SD 4.15Å; M176-M178 WeakPolarHBondContact O-CG 3.45Å; M176-M178 PolarHBondContact O-N 2.63Å; M176-M178 HydrophobicContact SD-SD 4.34Å; M178-A204 HydrophobicContact CE-CB 4.16Å; M178-V205 HydrophobicContact CE-CG2 4.45Å
179	I	78.4	Confident	87.8	Confident	37 Å²	37	35.9 Å²	35.9	19%	0.19	17%	0.173	C	C	.	.			trans	-127.4	136	173.8	-64.6	156.3	0	0	0	105.9	R181 A204 G236 V237 D240	I179-R181 HydrophobicContact CB-CG 4.34Å; I179-R181 HydrophobicContact CG2-CG 3.73Å; I179-A204 VanDerWaalsContact O-CA 3.26Å; I179-A204 WeakPolarHBondContact O-CA 3.26Å; I179-A204 WeakPolarHBondContact O-CB 3.23Å; I179-G236 WeakPolarHBondContact CG2-O 3.46Å; I179-V237 HydrophobicContact CD1-CG2 4.49Å; I179-V237 HydrophobicContact CG1-CG2 4.17Å; I179-D240 VanDerWaalsContact CG2-OD2 3.23Å; I179-D240 WeakPolarHBondContact CG2-OD2 3.3Å
180	H	84	Confident	88	Confident	1 Å²	1	35.8 Å²	35.8	1%	0.005	17%	0.173	C	C	.	.			trans	-77.5	-41.4	-173	-169.1	-57.2	0	0	0	113	L169 L172 D182 I183 L198 G199 D200 F201 T203 A204 D240	L169-H180 HydrophobicContact CD2-CB 3.99Å; L172-H180 HydrophobicContact CD1-CB 4.15Å; H180-D182 PolarHBondContact ND1-N 3.04Å; H180-D182 PolarHBondContact O-N 3.42Å; H180-D182 VanDerWaalsContact O-N 3.15Å; H180-I183 HydrophobicContact CB-CD1 3.64Å; H180-I183 HydrophobicContact CB-CG1 4.18Å; H180-I183 VanDerWaalsContact CG-CD1 3.42Å; H180-L198 WeakPolarHBondContact CD2-CD2 3.19Å; H180-G199 PolarHBondContact CE1-O 2.92Å; H180-G199 PolarHBondContact NE2-O 3.44Å; H180-D200 PolarHBondContact CE1-O 3.35Å; H180-F201 AromaticContact CD2-CD1 3.64Å; H180-F201 AromaticContact CD2-CE1 3.9Å; H180-F201 AromaticContact NE2-CD1 3.68Å; H180-F201 AromaticContact NE2-CE1 3.95Å; H180-T203 PolarHBondContact O-OG1 3.14Å; H180-A204 VanDerWaalsContact O-CA 3.3Å; H180-A204 WeakPolarHBondContact O-CA 3.16Å; H180-A204 PolarHBondContact O-N 3.45Å; H180-D240 PolarHBondContact N-OD2 2.71Å
181	R	82.7	Confident	88.2	Confident	67 Å²	67	35.5 Å²	35.5	25%	0.253	17%	0.173	S	C	.	.			trans	67.7	-1.3	176.2	-52.3	-175.6	-179.7	170	7.4	118	I179 A204 V205 R226 D240	I179-R181 HydrophobicContact CB-CG 4.34Å; I179-R181 HydrophobicContact CG2-CG 3.73Å; R181-A204 WeakPolarHBondContact CD-O 3.44Å; R181-A204 PolarHBondContact NE-O 3.46Å; R181-V205 PolarHBondContact NH1-O 2.85Å; R181-R226 PolarHBondContact O-NH1 3.03Å; R181-R226 PolarHBondContact O-NH2 2.8Å; R181-D240 VanDerWaalsContact CA-OD1 3.3Å; R181-D240 WeakPolarHBondContact CA-OD1 3.11Å; R181-D240 PolarHBondContact N-OD1 3.19Å
182	D	84.7	Confident	88.4	Confident	13 Å²	13	38.6 Å²	38.6	7%	0.07	19%	0.187	C	C	.	.			trans	-145	50.9	179.6	-167.5	31.1	0	0	0	111.2	H180 K184 N187 T203	H180-D182 PolarHBondContact ND1-N 3.04Å; H180-D182 PolarHBondContact O-N 3.42Å; H180-D182 VanDerWaalsContact O-N 3.15Å; D182-K184 PolarHBondContact O-N 3.03Å; D182-K184 WeakPolarHBondContact OD1-CD 3.3Å; D182-K184 IonicContact OD1-NZ 2.69Å; D182-K184 PolarHBondContact OD1-NZ 2.75Å; D182-K184 WeakPolarHBondContact OD2-CE 3.39Å; D182-K184 IonicContact OD2-NZ 2.74Å; D182-K184 PolarHBondContact OD2-NZ 3.13Å; D182-N187 PolarHBondContact O-ND2 2.99Å; D182-N187 PolarHBondContact OD2-ND2 2.74Å; D182-T203 HydrophobicContact CB-CG2 3.78Å; D182-T203 WeakPolarHBondContact CB-OG1 3.5Å
183	I	92.5	Very high	88.9	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.212	C	C	.	.			trans	-74.8	115.3	176.1	-58.3	-57.8	0	0	0	109.2	L169 H180 M188 L198 D240 S243 L244	L169-I183 HydrophobicContact CD1-CD1 4.41Å; L169-I183 HydrophobicContact CD1-CG1 4.39Å; L169-I183 HydrophobicContact CD2-CD1 3.68Å; L169-I183 HydrophobicContact CD2-CG1 4.08Å; L169-I183 HydrophobicContact CG-CD1 4.37Å; H180-I183 HydrophobicContact CB-CD1 3.64Å; H180-I183 HydrophobicContact CB-CG1 4.18Å; H180-I183 VanDerWaalsContact CG-CD1 3.42Å; I183-M188 HydrophobicContact CG2-CE 3.51Å; I183-L198 HydrophobicContact CD1-CD1 3.73Å; I183-L198 HydrophobicContact CD1-CD2 3.77Å; I183-L198 HydrophobicContact CD1-CG 4.35Å; I183-D240 HydrophobicContact CG1-CB 4.3Å; I183-S243 WeakPolarHBondContact O-CB 3.09Å; I183-L244 HydrophobicContact CG2-CB 4.23Å
184	K	94	Very high	89.5	Confident	22 Å²	22	38.3 Å²	38.3	10%	0.096	20%	0.198	C	C	.	.	S	Bend	trans	-157.2	157.7	176.5	61.8	-166.7	-178.7	-148.9	0	110.3	D182 A186 N187 M188 S218 Y221 S247	D182-K184 PolarHBondContact O-N 3.03Å; D182-K184 WeakPolarHBondContact OD1-CD 3.3Å; D182-K184 IonicContact OD1-NZ 2.69Å; D182-K184 PolarHBondContact OD1-NZ 2.75Å; D182-K184 WeakPolarHBondContact OD2-CE 3.39Å; D182-K184 IonicContact OD2-NZ 2.74Å; D182-K184 PolarHBondContact OD2-NZ 3.13Å; K184-A186 HydrophobicContact CG-CB 4.21Å; K184-A186 PolarHBondContact O-N 3.35Å; K184-A186 VanDerWaalsContact O-N 3.1Å; K184-N187 HydrophobicContact CG-CB 4.29Å; K184-N187 PolarHBondContact O-N 2.87Å; K184-M188 PolarHBondContact O-N 2.9Å; K184-S218 PolarHBondContact NZ-OG 2.98Å; K184-Y221 HydrophobicContact CB-CD1 4.08Å; K184-Y221 HydrophobicContact CB-CD2 3.66Å; K184-Y221 HydrophobicContact CB-CE1 3.99Å; K184-Y221 HydrophobicContact CB-CE2 3.57Å; K184-Y221 HydrophobicContact CB-CG 3.91Å; K184-Y221 HydrophobicContact CD-CD2 4.39Å; K184-Y221 HydrophobicContact CD-CE2 4.33Å; K184-S247 WeakPolarHBondContact CA-OG 3.35Å
185	P	96.2	Very high	89.9	Confident	1 Å²	1	37.2 Å²	37.2	1%	0.006	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-54.1	-30.3	178.7	-28.5	37.1	0	0	0	114.7	L139 D140 N187 M188 Y221 L251	L139-P185 HydrophobicContact CB-CB 4.07Å; L139-P185 WeakPolarHBondContact CB-O 3.46Å; L139-P185 PolarHBondContact N-O 3.37Å; L139-P185 VanDerWaalsContact N-O 3.12Å; D140-P185 HydrophobicContact CB-CB 4.06Å; D140-P185 PolarHBondContact N-O 2.91Å; P185-N187 VanDerWaalsContact C-N 3.26Å; P185-N187 PolarHBondContact O-N 2.79Å; P185-M188 PolarHBondContact O-N 2.69Å; P185-M188 VanDerWaalsContact O-O 3.06Å; P185-Y221 VanDerWaalsContact CD-CE1 3.5Å; P185-Y221 WeakPolarHBondContact CD-OH 3.27Å; P185-Y221 HydrophobicContact CG-CE1 4.43Å; P185-L251 HydrophobicContact CB-CD2 4.27Å; P185-L251 HydrophobicContact CG-CD2 4.43Å; P185-L251 HydrophobicContact CG-CG 4.27Å
186	A	92.8	Very high	90.6	Very high	34 Å²	34	33.4 Å²	33.4	28%	0.281	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	-65.2	-27.2	176.5	0	0	0	0	0	113.8	D140 K184	D140-A186 HydrophobicContact CB-CB 4.34Å; D140-A186 WeakPolarHBondContact OD1-CA 3.41Å; K184-A186 HydrophobicContact CG-CB 4.21Å; K184-A186 PolarHBondContact O-N 3.35Å; K184-A186 VanDerWaalsContact O-N 3.1Å
187	N	93.7	Very high	91.4	Very high	14 Å²	14	33 Å²	33	8%	0.075	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-94.6	0.1	178	-68.9	-6.2	0	0	0	112.4	D182 K184 P185 G199 D200	D182-N187 PolarHBondContact O-ND2 2.99Å; D182-N187 PolarHBondContact OD2-ND2 2.74Å; K184-N187 HydrophobicContact CG-CB 4.29Å; K184-N187 PolarHBondContact O-N 2.87Å; P185-N187 VanDerWaalsContact C-N 3.26Å; P185-N187 PolarHBondContact O-N 2.79Å; N187-G199 PolarHBondContact O-N 3.43Å; N187-D200 HydrophobicContact CB-CB 4.47Å
188	M	96.9	Very high	92.2	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	120.2	173.3	-58	176.2	-170	0	0	108.1	S138 L139 I161 I165 I183 K184 P185 L198 L244	S138-M188 CarbonylContact C-O 3.48Å; S138-M188 WeakPolarHBondContact CA-O 3.33Å; L139-M188 HydrophobicContact CB-CB 4.18Å; L139-M188 HydrophobicContact CD1-CB 3.48Å; L139-M188 VanDerWaalsContact CD1-CB 3.48Å; L139-M188 HydrophobicContact CD1-CG 4.32Å; L139-M188 HydrophobicContact CD1-SD 3.94Å; L139-M188 HydrophobicContact CG-CB 3.67Å; L139-M188 WeakPolarHBondContact CG-O 3.41Å; L139-M188 PolarHBondContact N-O 2.71Å; I161-M188 HydrophobicContact CG2-SD 4.38Å; I165-M188 HydrophobicContact CD1-CB 4.28Å; I165-M188 HydrophobicContact CD1-CG 3.78Å; I165-M188 HydrophobicContact CD1-SD 4.22Å; I165-M188 HydrophobicContact CG1-CE 4.24Å; I165-M188 HydrophobicContact CG1-CG 4.12Å; I165-M188 HydrophobicContact CG1-SD 3.88Å; I165-M188 HydrophobicContact CG2-CE 4.1Å; I183-M188 HydrophobicContact CG2-CE 3.51Å; K184-M188 PolarHBondContact O-N 2.9Å; P185-M188 PolarHBondContact O-N 2.69Å; P185-M188 VanDerWaalsContact O-O 3.06Å; M188-L198 HydrophobicContact CG-CD1 4.42Å; M188-L244 HydrophobicContact CE-CD1 4.49Å
189	L	97.3	Very high	92.8	Very high	35 Å²	35	24.9 Å²	24.9	18%	0.183	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	146.8	-171.2	-56.5	175.4	0	0	0	110.4	L116 M135 I137 I196 K197	L116-L189 HydrophobicContact CD1-CD1 3.8Å; L116-L189 HydrophobicContact CD2-CD1 3.81Å; L116-L189 HydrophobicContact CG-CD1 4.36Å; M135-L189 HydrophobicContact CB-CB 3.75Å; M135-L189 HydrophobicContact CB-CD1 4.33Å; M135-L189 HydrophobicContact CE-CB 4.14Å; M135-L189 HydrophobicContact CG-CB 3.68Å; M135-L189 HydrophobicContact CG-CD1 4.03Å; M135-L189 HydrophobicContact CG-CG 4.49Å; I137-L189 WeakPolarHBondContact O-CA 3.34Å; L189-I196 CarbonylContact O-C 3.53Å; L189-I196 WeakPolarHBondContact O-CA 3.47Å; L189-K197 PolarHBondContact N-O 3.33Å; L189-K197 PolarHBondContact O-N 2.73Å
190	A	97.8	Very high	92.9	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	154	-179.6	0	0	0	0	0	111.9	D136 I137 L139 Q195 I196 L332	D136-A190 PolarHBondContact N-O 2.85Å; I137-A190 HydrophobicContact CG2-CB 4.02Å; I137-A190 PolarHBondContact N-O 3Å; I137-A190 VanDerWaalsContact N-O 3.07Å; I137-A190 PolarHBondContact O-N 2.78Å; L139-A190 HydrophobicContact CD2-CB 4.06Å; A190-Q195 VanDerWaalsContact CA-O 3.27Å; A190-Q195 WeakPolarHBondContact CA-O 3.4Å; A190-I196 HydrophobicContact CB-CD1 3.63Å; A190-L332 HydrophobicContact CB-CD1 3.85Å; A190-L332 HydrophobicContact CB-CD2 4.21Å
191	N	96.1	Very high	92.4	Very high	15 Å²	15	25.2 Å²	25.2	8%	0.08	13%	0.131	C	C	.	.			trans	-129.3	167.7	175.2	71.7	16.9	0	0	0	112.8	M135 D136 S193 G194 Q195 L332	M135-N191 HydrophobicContact CE-CB 4.13Å; M135-N191 HydrophobicContact SD-CB 4.36Å; D136-N191 WeakPolarHBondContact OD2-CA 3.48Å; D136-N191 VanDerWaalsContact OD2-CB 3.24Å; D136-N191 WeakPolarHBondContact OD2-CB 3.36Å; N191-S193 PolarHBondContact O-N 3.14Å; N191-S193 VanDerWaalsContact O-N 3.09Å; N191-S193 WeakPolarHBondContact OD1-CB 3.34Å; N191-S193 PolarHBondContact OD1-N 3.39Å; N191-G194 PolarHBondContact O-N 3.07Å; N191-G194 PolarHBondContact OD1-N 2.83Å; N191-Q195 PolarHBondContact N-O 2.9Å; N191-Q195 PolarHBondContact ND2-OE1 3.33Å; N191-Q195 WeakPolarHBondContact OD1-CB 3.27Å; N191-Q195 PolarHBondContact OD1-N 2.8Å; N191-L332 WeakPolarHBondContact O-CD1 3.19Å
192	K	95.4	Very high	91.3	Very high	106 Å²	106	22.1 Å²	22.1	46%	0.461	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-22.1	-178.3	-72.2	179.8	-177.7	-151	0	113.8	D136 G194 A329 I336	D136-K192 WeakPolarHBondContact OD2-CG 3.33Å; D136-K192 PolarHBondContact OD2-N 2.86Å; K192-G194 PolarHBondContact O-N 2.96Å; K192-A329 WeakPolarHBondContact O-CB 3.33Å; K192-I336 HydrophobicContact CD-CG2 4.27Å; K192-I336 WeakPolarHBondContact CE-O 3.45Å; K192-I336 HydrophobicContact CG-CB 4.25Å; K192-I336 HydrophobicContact CG-CG2 4.01Å; K192-I336 PolarHBondContact NZ-O 3.1Å; K192-I336 PolarHBondContact NZ-OXT 3.27Å
193	S	95.6	Very high	89.9	Confident	78 Å²	78	21.9 Å²	21.9	55%	0.545	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-3	174.5	-55.9	0	0	0	0	113.4	N191 M325	N191-S193 PolarHBondContact O-N 3.14Å; N191-S193 VanDerWaalsContact O-N 3.09Å; N191-S193 WeakPolarHBondContact OD1-CB 3.34Å; N191-S193 PolarHBondContact OD1-N 3.39Å; S193-M325 WeakPolarHBondContact O-CG 3.18Å
194	G	96.4	Very high	88.1	Confident	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.121	C	C	.	.			trans	85.2	6.7	179.5	0	0	0	0	0	114.4	H160 N191 K192	H160-G194 PolarHBondContact CE1-O 2.93Å; N191-G194 PolarHBondContact O-N 3.07Å; N191-G194 PolarHBondContact OD1-N 2.83Å; K192-G194 PolarHBondContact O-N 2.96Å
195	Q	96.5	Very high	85.9	Confident	77 Å²	77	23.3 Å²	23.3	36%	0.36	13%	0.13	S	C	.	.			trans	-71.7	139	178	-59.7	177.7	-43.9	0	0	110	A190 N191 M325	A190-Q195 VanDerWaalsContact CA-O 3.27Å; A190-Q195 WeakPolarHBondContact CA-O 3.4Å; N191-Q195 PolarHBondContact N-O 2.9Å; N191-Q195 PolarHBondContact ND2-OE1 3.33Å; N191-Q195 WeakPolarHBondContact OD1-CB 3.27Å; N191-Q195 PolarHBondContact OD1-N 2.8Å; Q195-M325 HydrophobicContact CG-SD 4.18Å
196	I	97.6	Very high	83.8	Confident	2 Å²	2	24.7 Å²	24.7	1%	0.01	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	128.6	175.6	-55.5	-60.3	0	0	0	108.8	F114 I161 I165 L189 A190 T328	F114-I196 WeakPolarHBondContact CD1-O 3.35Å; I161-I196 HydrophobicContact CG1-CD1 3.96Å; I161-I196 HydrophobicContact CG1-CG1 4.05Å; I161-I196 HydrophobicContact CG1-CG2 4.41Å; I165-I196 HydrophobicContact CD1-CG2 4.22Å; L189-I196 CarbonylContact O-C 3.53Å; L189-I196 WeakPolarHBondContact O-CA 3.47Å; A190-I196 HydrophobicContact CB-CD1 3.63Å; I196-T328 HydrophobicContact CD1-CG2 4.1Å
197	K	95.9	Very high	81.8	Confident	19 Å²	19	23.9 Å²	23.9	8%	0.083	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	141.3	-177.7	-60.9	-168.4	170.9	-157.9	0	111.9	P113 F114 E133 M135 L189	P113-K197 VanDerWaalsContact O-CE 3.29Å; P113-K197 WeakPolarHBondContact O-CE 3.49Å; F114-K197 WeakPolarHBondContact O-CA 3.38Å; E133-K197 WeakPolarHBondContact OE1-CD 3.32Å; E133-K197 WeakPolarHBondContact OE1-CE 3.21Å; E133-K197 IonicContact OE1-NZ 3.27Å; E133-K197 PolarHBondContact OE1-NZ 2.76Å; E133-K197 WeakPolarHBondContact OE2-CE 3.34Å; E133-K197 IonicContact OE2-NZ 2.87Å; E133-K197 PolarHBondContact OE2-NZ 3.32Å; M135-K197 HydrophobicContact CE-CB 4.1Å; M135-K197 HydrophobicContact CE-CD 4.2Å; M135-K197 HydrophobicContact CE-CG 3.98Å; M135-K197 HydrophobicContact SD-CD 4.15Å; L189-K197 PolarHBondContact N-O 3.33Å; L189-K197 PolarHBondContact O-N 2.73Å
198	L	94.5	Very high	79.9	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	131.1	171.5	-176.1	61.2	0	0	0	109.2	F114 L115 L116 I165 A168 L169 L172 H180 I183 M188 F201	F114-L198 PolarHBondContact O-N 3.25Å; L115-L198 HydrophobicContact CD2-CB 4.27Å; L115-L198 HydrophobicContact CD2-CD2 4.47Å; L116-L198 WeakPolarHBondContact CB-O 3.33Å; L116-L198 PolarHBondContact N-O 2.93Å; I165-L198 HydrophobicContact CD1-CB 3.91Å; I165-L198 HydrophobicContact CD1-CD1 4.3Å; A168-L198 HydrophobicContact CB-CB 4.11Å; A168-L198 HydrophobicContact CB-CD2 4.06Å; L169-L198 HydrophobicContact CD2-CD2 4.15Å; L169-L198 HydrophobicContact CG-CD2 4.31Å; L172-L198 HydrophobicContact CD1-CD2 4.25Å; H180-L198 WeakPolarHBondContact CD2-CD2 3.19Å; I183-L198 HydrophobicContact CD1-CD1 3.73Å; I183-L198 HydrophobicContact CD1-CD2 3.77Å; I183-L198 HydrophobicContact CD1-CG 4.35Å; M188-L198 HydrophobicContact CG-CD1 4.42Å; L198-F201 HydrophobicContact CG-CE1 4.3Å; L198-F201 WeakPolarHBondContact O-CZ 3.5Å
199	G	89.5	Confident	77.9	Confident	1 Å²	1	27.1 Å²	27.1	1%	0.01	15%	0.151	C	C	.	.			trans	-131.5	-173.3	176.6	0	0	0	0	0	112.6	H180 N187	H180-G199 PolarHBondContact CE1-O 2.92Å; H180-G199 PolarHBondContact NE2-O 3.44Å; N187-G199 PolarHBondContact O-N 3.43Å
200	D	81.2	Confident	75.8	Confident	42 Å²	42	30 Å²	30	23%	0.225	17%	0.173	C	C	.	.			trans	58.2	63.2	-178.1	-160.1	19	0	0	0	114.5	K86 H180 N187 G202	K86-D200 IonicContact NZ-OD1 3.66Å; K86-D200 PolarHBondContact NZ-OD1 2.9Å; H180-D200 PolarHBondContact CE1-O 3.35Å; N187-D200 HydrophobicContact CB-CB 4.47Å; D200-G202 PolarHBondContact O-N 3.35Å
201	F	72.5	Confident	73.9	Confident	4 Å²	4	33.7 Å²	33.7	2%	0.018	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-79.3	-0.3	176.3	-45.5	-68.8	0	0	0	113.2	D103 I106 L115 L172 H180 L198 T203 A204	D103-F201 WeakPolarHBondContact OD1-CA 3.41Å; D103-F201 WeakPolarHBondContact OD1-CB 3.36Å; D103-F201 WeakPolarHBondContact OD1-CD2 3.49Å; D103-F201 PolarHBondContact OD1-N 3.1Å; I106-F201 HydrophobicContact CB-CD2 4.08Å; I106-F201 HydrophobicContact CB-CE2 4.45Å; I106-F201 HydrophobicContact CB-CG 4.4Å; I106-F201 HydrophobicContact CD1-CB 3.32Å; I106-F201 HydrophobicContact CD1-CD1 4.19Å; I106-F201 HydrophobicContact CD1-CD2 4.09Å; I106-F201 HydrophobicContact CD1-CG 3.61Å; I106-F201 HydrophobicContact CG2-CD1 4.41Å; I106-F201 HydrophobicContact CG2-CD2 3.9Å; I106-F201 HydrophobicContact CG2-CE1 4.41Å; I106-F201 HydrophobicContact CG2-CE2 3.87Å; I106-F201 HydrophobicContact CG2-CG 4.17Å; I106-F201 HydrophobicContact CG2-CZ 4.13Å; L115-F201 HydrophobicContact CB-CZ 4.02Å; L115-F201 HydrophobicContact CD2-CE1 3.64Å; L115-F201 HydrophobicContact CD2-CZ 3.65Å; L115-F201 HydrophobicContact CG-CZ 4.29Å; L172-F201 HydrophobicContact CD1-CD1 4.36Å; L172-F201 HydrophobicContact CD1-CE1 4.22Å; L172-F201 HydrophobicContact CD2-CE1 4.4Å; H180-F201 AromaticContact CD2-CD1 3.64Å; H180-F201 AromaticContact CD2-CE1 3.9Å; H180-F201 AromaticContact NE2-CD1 3.68Å; H180-F201 AromaticContact NE2-CE1 3.95Å; L198-F201 HydrophobicContact CG-CE1 4.3Å; L198-F201 WeakPolarHBondContact O-CZ 3.5Å; F201-T203 PolarHBondContact O-N 3.28Å; F201-A204 WeakPolarHBondContact O-CB 3.46Å; F201-A204 PolarHBondContact O-N 3.21Å
202	G	60.4	Low	72	Confident	2 Å²	2	33.3 Å²	33.3	2%	0.021	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-60.5	-16.8	-179.8	0	0	0	0	0	114.6	D103 D200	D103-G202 PolarHBondContact OD1-N 3.08Å; D200-G202 PolarHBondContact O-N 3.35Å
203	T	56.2	Low	70.1	Confident	7 Å²	7	31.1 Å²	31.1	4%	0.043	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-91.5	-10.6	175.4	54.8	0	0	0	0	114	F68 H180 D182 F201 V205 L207	F68-T203 HydrophobicContact CE2-CG2 3.77Å; F68-T203 HydrophobicContact CZ-CG2 4.33Å; H180-T203 PolarHBondContact O-OG1 3.14Å; D182-T203 HydrophobicContact CB-CG2 3.78Å; D182-T203 WeakPolarHBondContact CB-OG1 3.5Å; F201-T203 PolarHBondContact O-N 3.28Å; T203-V205 PolarHBondContact O-N 3.44Å; T203-L207 HydrophobicContact CG2-CD1 3.82Å
204	A	52.8	Low	68.1	Low	5 Å²	5	32.5 Å²	32.5	4%	0.041	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-20.5	-177.4	0	0	0	0	0	112.8	M178 I179 H180 R181 F201	M178-A204 HydrophobicContact CE-CB 4.16Å; I179-A204 VanDerWaalsContact O-CA 3.26Å; I179-A204 WeakPolarHBondContact O-CA 3.26Å; I179-A204 WeakPolarHBondContact O-CB 3.23Å; H180-A204 VanDerWaalsContact O-CA 3.3Å; H180-A204 WeakPolarHBondContact O-CA 3.16Å; H180-A204 PolarHBondContact O-N 3.45Å; R181-A204 WeakPolarHBondContact CD-O 3.44Å; R181-A204 PolarHBondContact NE-O 3.46Å; F201-A204 WeakPolarHBondContact O-CB 3.46Å; F201-A204 PolarHBondContact O-N 3.21Å
205	V	49.5	Very low	66.5	Low	47 Å²	47	34.5 Å²	34.5	29%	0.285	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-127.7	-20.3	-170.4	-166.2	0	0	0	0	115.1	D99 M178 R181 T203	D99-V205 HydrophobicContact CB-CB 3.6Å; D99-V205 HydrophobicContact CB-CG1 3.58Å; D99-V205 HydrophobicContact CB-CG2 3.77Å; D99-V205 WeakPolarHBondContact OD2-CG1 3.48Å; M178-V205 HydrophobicContact CE-CG2 4.45Å; R181-V205 PolarHBondContact NH1-O 2.85Å; T203-V205 PolarHBondContact O-N 3.44Å
206	T	51.4	Low	64.6	Low	30 Å²	30	37.6 Å²	37.6	18%	0.184	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.6	-26.3	-149.1	-51.3	0	0	0	0	118.4	N97 M100 S208	N97-T206 HydrophobicContact CB-CG2 4.07Å; N97-T206 VanDerWaalsContact CG-CG2 3.44Å; N97-T206 VanDerWaalsContact ND2-CB 3.26Å; N97-T206 WeakPolarHBondContact ND2-CB 3.42Å; N97-T206 WeakPolarHBondContact ND2-CG2 3.43Å; N97-T206 PolarHBondContact ND2-OG1 2.82Å; N97-T206 PolarHBondContact OD1-OG1 2.96Å; M100-T206 HydrophobicContact CG-CG2 4.22Å; M100-T206 HydrophobicContact SD-CG2 4.49Å; T206-S208 PolarHBondContact O-N 2.7Å
207	L	51	Low	62.9	Low	18 Å²	18	38 Å²	38	9%	0.094	23%	0.225	C	C	.	.			trans	-80.5	123.4	-177.1	-63.2	176.5	0	0	0	110.9	F67 F68 T203 E211 I212	F67-L207 HydrophobicContact CD1-CD2 4.17Å; F67-L207 HydrophobicContact CE1-CD2 3.86Å; F67-L207 HydrophobicContact CZ-CD2 4.45Å; F68-L207 HydrophobicContact CZ-CD1 4.36Å; F68-L207 HydrophobicContact CZ-CD2 4.12Å; F68-L207 HydrophobicContact CZ-CG 4.19Å; T203-L207 HydrophobicContact CG2-CD1 3.82Å; L207-E211 WeakPolarHBondContact CA-OE2 3.39Å; L207-E211 HydrophobicContact CB-CB 4.39Å; L207-E211 HydrophobicContact CD2-CB 3.99Å; L207-I212 HydrophobicContact CB-CD1 3.85Å; L207-I212 HydrophobicContact CB-CG1 3.49Å; L207-I212 VanDerWaalsContact CB-CG1 3.49Å; L207-I212 HydrophobicContact CD1-CG1 3.93Å; L207-I212 HydrophobicContact CG-CG1 4.36Å
208	S	53.5	Low	61.9	Low	55 Å²	55	37.4 Å²	37.4	39%	0.385	22%	0.223	S	C	.	.			trans	-61.5	148.6	163.5	64.6	0	0	0	0	109.1	T206 C210 E211 I212	T206-S208 PolarHBondContact O-N 2.7Å; S208-C210 PolarHBondContact O-N 3.3Å; S208-E211 PolarHBondContact N-OE2 3.35Å; S208-E211 PolarHBondContact O-N 3.11Å; S208-E211 VanDerWaalsContact OG-CD 3.27Å; S208-E211 WeakPolarHBondContact OG-CG 3.26Å; S208-E211 PolarHBondContact OG-N 3.42Å; S208-E211 PolarHBondContact OG-OE2 2.64Å; S208-I212 PolarHBondContact O-N 2.73Å
209	N	55.7	Low	61.2	Low	27 Å²	27	38 Å²	38	14%	0.144	23%	0.226	C	C	.	.	H	α-helix	trans	-55	-31	179.8	-67.5	-25.6	0	0	0	111.9	I212 L213 R226	N209-I212 PolarHBondContact O-N 3.46Å; N209-L213 VanDerWaalsContact O-CG 3.28Å; N209-L213 WeakPolarHBondContact O-CG 3.28Å; N209-L213 PolarHBondContact O-N 3.5Å; N209-R226 VanDerWaalsContact CG-O 3.24Å; N209-R226 PolarHBondContact ND2-O 3.1Å
210	C	52	Low	61.2	Low	94 Å²	94	41 Å²	41	64%	0.635	24%	0.237	S	C	*	.	H	α-helix	trans	-61.1	-44.6	174.6	-62	0	0	0	0	112.8	S208 I212 L213 T214	S208-C210 PolarHBondContact O-N 3.3Å; C210-I212 VanDerWaalsContact C-N 3.32Å; C210-I212 PolarHBondContact O-N 3.02Å; C210-L213 PolarHBondContact O-N 2.95Å; C210-T214 PolarHBondContact O-N 3.32Å; C210-T214 PolarHBondContact O-OG1 3.13Å
211	E	57.7	Low	61.7	Low	78 Å²	78	39.8 Å²	39.8	36%	0.364	23%	0.229	S	C	.	.	H	α-helix	trans	-66.3	-35.7	179.3	-71	159.9	151.4	0	0	111.5	L207 S208 T214 D215	L207-E211 WeakPolarHBondContact CA-OE2 3.39Å; L207-E211 HydrophobicContact CB-CB 4.39Å; L207-E211 HydrophobicContact CD2-CB 3.99Å; S208-E211 PolarHBondContact N-OE2 3.35Å; S208-E211 PolarHBondContact O-N 3.11Å; S208-E211 VanDerWaalsContact OG-CD 3.27Å; S208-E211 WeakPolarHBondContact OG-CG 3.26Å; S208-E211 PolarHBondContact OG-N 3.42Å; S208-E211 PolarHBondContact OG-OE2 2.64Å; E211-T214 WeakPolarHBondContact CA-OG1 3.31Å; E211-T214 PolarHBondContact O-N 2.82Å; E211-T214 PolarHBondContact O-OG1 2.78Å; E211-D215 PolarHBondContact O-N 3.19Å; E211-D215 VanDerWaalsContact O-N 3.12Å
212	I	56	Low	62.4	Low	8 Å²	8	39.8 Å²	39.8	4%	0.041	23%	0.229	C	C	.	.	H	α-helix	trans	-71.6	-34.5	178.1	-51.3	175	0	0	0	111.5	L207 S208 N209 C210 T214 D215 L222	L207-I212 HydrophobicContact CB-CD1 3.85Å; L207-I212 HydrophobicContact CB-CG1 3.49Å; L207-I212 VanDerWaalsContact CB-CG1 3.49Å; L207-I212 HydrophobicContact CD1-CG1 3.93Å; L207-I212 HydrophobicContact CG-CG1 4.36Å; S208-I212 PolarHBondContact O-N 2.73Å; N209-I212 PolarHBondContact O-N 3.46Å; C210-I212 VanDerWaalsContact C-N 3.32Å; C210-I212 PolarHBondContact O-N 3.02Å; I212-T214 PolarHBondContact O-N 3.38Å; I212-D215 PolarHBondContact O-N 2.76Å; I212-L222 HydrophobicContact CB-CD1 4.46Å; I212-L222 HydrophobicContact CD1-CD2 4.48Å; I212-L222 HydrophobicContact CG2-CD1 3.98Å; I212-L222 HydrophobicContact CG2-CD2 3.82Å; I212-L222 HydrophobicContact CG2-CG 4.07Å
213	L	56.2	Low	63.8	Low	60 Å²	60	39.7 Å²	39.7	31%	0.314	23%	0.228	S	C	.	.	H	α-helix	trans	-66.4	-25.9	173.2	-70.1	171.2	0	0	0	112.1	N209 C210 W219 L222 V227	N209-L213 VanDerWaalsContact O-CG 3.28Å; N209-L213 WeakPolarHBondContact O-CG 3.28Å; N209-L213 PolarHBondContact O-N 3.5Å; C210-L213 PolarHBondContact O-N 2.95Å; L213-W219 HydrophobicContact CD2-CB 4.32Å; L213-L222 HydrophobicContact CD2-CD1 3.7Å; L213-L222 HydrophobicContact CG-CD1 4.27Å; L213-V227 HydrophobicContact CD2-CG1 4.45Å
214	T	54.1	Low	65.3	Low	107 Å²	107	40 Å²	40	66%	0.656	23%	0.23	S	C	*	.	H	α-helix	trans	-84.9	-14.8	173.8	55.8	0	0	0	0	113.9	C210 E211 I212 V216	C210-T214 PolarHBondContact O-N 3.32Å; C210-T214 PolarHBondContact O-OG1 3.13Å; E211-T214 WeakPolarHBondContact CA-OG1 3.31Å; E211-T214 PolarHBondContact O-N 2.82Å; E211-T214 PolarHBondContact O-OG1 2.78Å; I212-T214 PolarHBondContact O-N 3.38Å; T214-V216 PolarHBondContact O-N 3.09Å
215	D	62.2	Low	66.7	Low	42 Å²	42	40.5 Å²	40.5	23%	0.225	23%	0.231	C	C	.	.	S	Bend	trans	-78.3	117.3	177.6	-173.8	17.3	0	0	0	111	E211 I212 G217 S218	E211-D215 PolarHBondContact O-N 3.19Å; E211-D215 VanDerWaalsContact O-N 3.12Å; I212-D215 PolarHBondContact O-N 2.76Å; D215-G217 PolarHBondContact O-N 3.38Å; D215-S218 PolarHBondContact O-N 2.83Å; D215-S218 VanDerWaalsContact OD2-CB 3.24Å; D215-S218 WeakPolarHBondContact OD2-CB 3.36Å; D215-S218 PolarHBondContact OD2-OG 3.43Å
216	V	57.6	Low	68.1	Low	142 Å²	142	39.5 Å²	39.5	86%	0.861	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.4	93.7	-170.7	-176.7	0	0	0	0	109.9	T214	T214-V216 PolarHBondContact O-N 3.09Å
217	G	61.7	Low	69.2	Low	9 Å²	9	38.8 Å²	38.8	9%	0.093	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	119.3	-28.1	171.5	0	0	0	0	0	114.2	D215 W219 R220 Y221	D215-G217 PolarHBondContact O-N 3.38Å; G217-W219 VanDerWaalsContact C-N 3.33Å; G217-R220 WeakPolarHBondContact O-CB 3.38Å; G217-R220 PolarHBondContact O-N 3.28Å; G217-R220 PolarHBondContact O-NE 3.31Å; G217-Y221 WeakPolarHBondContact O-CE2 3.43Å
218	S	74.8	Confident	69.9	Low	7 Å²	7	41.1 Å²	41.1	5%	0.049	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-69	-31.8	178.2	-56.4	0	0	0	0	112.2	K184 D215 R220 Y221	K184-S218 PolarHBondContact NZ-OG 2.98Å; D215-S218 PolarHBondContact O-N 2.83Å; D215-S218 VanDerWaalsContact OD2-CB 3.24Å; D215-S218 WeakPolarHBondContact OD2-CB 3.36Å; D215-S218 PolarHBondContact OD2-OG 3.43Å; S218-R220 PolarHBondContact O-N 2.85Å; S218-R220 VanDerWaalsContact O-N 3.11Å; S218-Y221 PolarHBondContact O-N 3.02Å; S218-Y221 VanDerWaalsContact O-N 3.09Å
219	W	80.4	Confident	70.1	Confident	13 Å²	13	43.6 Å²	43.6	5%	0.049	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-56.4	-29.2	176.5	76.8	-93.4	0	0	0	113	L213 G217 Y221 L222 E259 P261 A267 I271	L213-W219 HydrophobicContact CD2-CB 4.32Å; G217-W219 VanDerWaalsContact C-N 3.33Å; W219-Y221 PolarHBondContact O-N 2.83Å; W219-Y221 VanDerWaalsContact O-N 3.12Å; W219-L222 HydrophobicContact CB-CD1 4.13Å; W219-L222 VanDerWaalsContact O-CB 3.29Å; W219-L222 WeakPolarHBondContact O-CB 3.45Å; W219-L222 PolarHBondContact O-N 3.42Å; W219-E259 WeakPolarHBondContact CH2-O 3.4Å; W219-E259 WeakPolarHBondContact CZ2-O 3.5Å; W219-P261 HydrophobicContact CD2-CG 4.24Å; W219-P261 HydrophobicContact CH2-CB 3.97Å; W219-P261 HydrophobicContact CH2-CG 3.94Å; W219-P261 HydrophobicContact CZ2-CB 3.89Å; W219-P261 HydrophobicContact CZ2-CG 3.39Å; W219-A267 HydrophobicContact CD2-CB 4.31Å; W219-A267 HydrophobicContact CE3-CB 3.71Å; W219-A267 HydrophobicContact CH2-CB 4.34Å; W219-A267 HydrophobicContact CZ3-CB 3.71Å; W219-I271 HydrophobicContact CE3-CD1 3.72Å; W219-I271 HydrophobicContact CE3-CG1 4.43Å; W219-I271 HydrophobicContact CZ3-CD1 3.96Å; W219-I271 HydrophobicContact CZ3-CG1 4.18Å
220	R	88.4	Confident	70	Confident	65 Å²	65	43.4 Å²	43.4	25%	0.245	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-65.9	-12.6	-179.9	-67.2	-175	-70.1	-165.5	-1.7	113.9	G217 S218 L246 Y258	G217-R220 WeakPolarHBondContact O-CB 3.38Å; G217-R220 PolarHBondContact O-N 3.28Å; G217-R220 PolarHBondContact O-NE 3.31Å; S218-R220 PolarHBondContact O-N 2.85Å; S218-R220 VanDerWaalsContact O-N 3.11Å; R220-L246 WeakPolarHBondContact O-CD1 3.46Å; R220-Y258 WeakPolarHBondContact CD-O 3.47Å; R220-Y258 VanDerWaalsContact O-CD2 3.26Å; R220-Y258 WeakPolarHBondContact O-CD2 3.42Å
221	Y	91.6	Very high	70	Confident	16 Å²	16	43.3 Å²	43.3	6%	0.063	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-104.9	-0.9	177.1	-52.7	-87.9	0	0	0	112	K184 P185 G217 S218 W219 S243 L246 E250	K184-Y221 HydrophobicContact CB-CD1 4.08Å; K184-Y221 HydrophobicContact CB-CD2 3.66Å; K184-Y221 HydrophobicContact CB-CE1 3.99Å; K184-Y221 HydrophobicContact CB-CE2 3.57Å; K184-Y221 HydrophobicContact CB-CG 3.91Å; K184-Y221 HydrophobicContact CD-CD2 4.39Å; K184-Y221 HydrophobicContact CD-CE2 4.33Å; P185-Y221 VanDerWaalsContact CD-CE1 3.5Å; P185-Y221 WeakPolarHBondContact CD-OH 3.27Å; P185-Y221 HydrophobicContact CG-CE1 4.43Å; G217-Y221 WeakPolarHBondContact O-CE2 3.43Å; S218-Y221 PolarHBondContact O-N 3.02Å; S218-Y221 VanDerWaalsContact O-N 3.09Å; W219-Y221 PolarHBondContact O-N 2.83Å; W219-Y221 VanDerWaalsContact O-N 3.12Å; Y221-S243 WeakPolarHBondContact O-CA 3.48Å; Y221-S243 WeakPolarHBondContact O-CB 3.39Å; Y221-S243 PolarHBondContact O-OG 3.07Å; Y221-L246 HydrophobicContact CD1-CB 4.15Å; Y221-E250 WeakPolarHBondContact CE1-OE2 3.33Å; Y221-E250 PolarHBondContact OH-OE2 3.45Å
222	L	87.6	Confident	69.9	Low	4 Å²	4	44.5 Å²	44.5	2%	0.021	26%	0.263	C	S	.	.			trans	-67.4	136.4	-178.5	-73.6	174.4	0	0	0	111.5	I212 L213 W219 R226 V227 W242 I271	I212-L222 HydrophobicContact CB-CD1 4.46Å; I212-L222 HydrophobicContact CD1-CD2 4.48Å; I212-L222 HydrophobicContact CG2-CD1 3.98Å; I212-L222 HydrophobicContact CG2-CD2 3.82Å; I212-L222 HydrophobicContact CG2-CG 4.07Å; L213-L222 HydrophobicContact CD2-CD1 3.7Å; L213-L222 HydrophobicContact CG-CD1 4.27Å; W219-L222 HydrophobicContact CB-CD1 4.13Å; W219-L222 VanDerWaalsContact O-CB 3.29Å; W219-L222 WeakPolarHBondContact O-CB 3.45Å; W219-L222 PolarHBondContact O-N 3.42Å; L222-R226 HydrophobicContact CD2-CB 4.19Å; L222-R226 VanDerWaalsContact CD2-CZ 3.49Å; L222-V227 HydrophobicContact CB-CG2 4Å; L222-V227 HydrophobicContact CD1-CG2 4.3Å; L222-W242 PolarHBondContact O-NE1 3.15Å; L222-I271 HydrophobicContact CB-CD1 4.18Å
223	A	88.5	Confident	69.7	Low	0 Å²	0	54 Å²	54	0%	0	30%	0.304	C	S	.	.			trans	-75.4	148.8	173.2	0	0	0	0	0	111.6	E225 R226 V227 W242	A223-E225 HydrophobicContact CB-CG 4.42Å; A223-E225 WeakPolarHBondContact CB-OE1 3.33Å; A223-E225 VanDerWaalsContact CB-OE2 3.27Å; A223-E225 WeakPolarHBondContact CB-OE2 3.49Å; A223-E225 PolarHBondContact O-N 3.45Å; A223-E225 VanDerWaalsContact O-N 3.13Å; A223-R226 HydrophobicContact CB-CG 4.44Å; A223-R226 WeakPolarHBondContact O-CB 3.07Å; A223-R226 PolarHBondContact O-N 3.04Å; A223-V227 PolarHBondContact O-N 3.13Å; A223-W242 HydrophobicContact CB-CB 3.76Å; A223-W242 HydrophobicContact CB-CD2 4.37Å; A223-W242 HydrophobicContact CB-CG 3.67Å
224	P	88	Confident	69.4	Low	12 Å²	12	54.9 Å²	54.9	8%	0.078	32%	0.315	C	S	.	.	H	α-helix	trans	-54.7	-35.7	-177.1	-25.4	33.2	0	0	0	113.8	R226 V227 S228 W242 I271 V272 K299	P224-R226 VanDerWaalsContact C-N 3.28Å; P224-R226 PolarHBondContact O-N 3.05Å; P224-V227 PolarHBondContact O-N 3.32Å; P224-S228 PolarHBondContact O-N 3.05Å; P224-S228 VanDerWaalsContact O-N 3.09Å; P224-S228 PolarHBondContact O-OG 3.15Å; P224-W242 HydrophobicContact CG-CH2 3.78Å; P224-W242 HydrophobicContact CG-CZ2 3.85Å; P224-W242 HydrophobicContact CG-CZ3 4.15Å; P224-I271 HydrophobicContact CB-CG2 4.27Å; P224-I271 HydrophobicContact CG-CG2 4.09Å; P224-V272 HydrophobicContact CB-CG2 4.49Å; P224-K299 HydrophobicContact CG-CG 4.29Å
225	E	83.4	Confident	69.7	Low	16 Å²	16	54.1 Å²	54.1	8%	0.075	30%	0.3	C	S	.	.	H	α-helix	trans	-69	-22.9	178.1	68.9	-84.7	-169.3	0	0	113.9	A223 S228 Y235 S239 V301 R304	A223-E225 HydrophobicContact CB-CG 4.42Å; A223-E225 WeakPolarHBondContact CB-OE1 3.33Å; A223-E225 VanDerWaalsContact CB-OE2 3.27Å; A223-E225 WeakPolarHBondContact CB-OE2 3.49Å; A223-E225 PolarHBondContact O-N 3.45Å; A223-E225 VanDerWaalsContact O-N 3.13Å; E225-S228 WeakPolarHBondContact CA-OG 3.07Å; E225-Y235 HydrophobicContact CG-CG 4.24Å; E225-S239 VanDerWaalsContact OE1-CA 3.28Å; E225-S239 WeakPolarHBondContact OE1-CA 3.28Å; E225-S239 WeakPolarHBondContact OE1-CB 3.09Å; E225-S239 PolarHBondContact OE1-N 3.43Å; E225-S239 PolarHBondContact OE1-OG 3.45Å; E225-V301 HydrophobicContact CB-CG2 3.9Å; E225-V301 HydrophobicContact CG-CG2 3.97Å; E225-R304 IonicContact OE1-CZ 3.19Å; E225-R304 IonicContact OE1-NH1 3.35Å; E225-R304 PolarHBondContact OE1-NH1 3.15Å; E225-R304 IonicContact OE1-NH2 2.79Å; E225-R304 IonicContact OE2-CZ 3.72Å; E225-R304 IonicContact OE2-NH1 2.9Å; E225-R304 PolarHBondContact OE2-NH1 2.63Å; E225-R304 IonicContact OE2-NH2 3.15Å; E225-R304 PolarHBondContact OE2-NH2 3.01Å
226	R	77.5	Confident	70.4	Confident	27 Å²	27	52.7 Å²	52.7	10%	0.102	30%	0.296	C	S	.	.	H	α-helix	trans	-79.5	-31.3	175.8	-66.1	-175.6	66.6	179.3	7.4	111.7	R181 N209 L222 A223 P224	R181-R226 PolarHBondContact O-NH1 3.03Å; R181-R226 PolarHBondContact O-NH2 2.8Å; N209-R226 VanDerWaalsContact CG-O 3.24Å; N209-R226 PolarHBondContact ND2-O 3.1Å; L222-R226 HydrophobicContact CD2-CB 4.19Å; L222-R226 VanDerWaalsContact CD2-CZ 3.49Å; A223-R226 HydrophobicContact CB-CG 4.44Å; A223-R226 WeakPolarHBondContact O-CB 3.07Å; A223-R226 PolarHBondContact O-N 3.04Å; P224-R226 VanDerWaalsContact C-N 3.28Å; P224-R226 PolarHBondContact O-N 3.05Å
227	V	75.6	Confident	71.6	Confident	15 Å²	15	47.2 Å²	47.2	9%	0.091	26%	0.263	C	S	.	.	H	α-helix	trans	-80.9	-34	179.2	-166.8	0	0	0	0	111.3	L213 L222 A223 P224 C229 F268 I271 V272	L213-V227 HydrophobicContact CD2-CG1 4.45Å; L222-V227 HydrophobicContact CB-CG2 4Å; L222-V227 HydrophobicContact CD1-CG2 4.3Å; A223-V227 PolarHBondContact O-N 3.13Å; P224-V227 PolarHBondContact O-N 3.32Å; V227-C229 PolarHBondContact O-N 2.9Å; V227-C229 VanDerWaalsContact O-N 3.13Å; V227-F268 HydrophobicContact CG1-CB 4.36Å; V227-F268 HydrophobicContact CG1-CD2 3.68Å; V227-F268 HydrophobicContact CG1-CE2 4.45Å; V227-F268 HydrophobicContact CG1-CG 4.43Å; V227-I271 HydrophobicContact CG2-CB 4.41Å; V227-I271 HydrophobicContact CG2-CD1 3.75Å; V227-I271 HydrophobicContact CG2-CG2 3.96Å; V227-V272 HydrophobicContact CB-CG2 4.47Å
228	S	65.2	Low	73	Confident	66 Å²	66	48.8 Å²	48.8	46%	0.462	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	13.1	-178	48.8	0	0	0	0	115.2	P224 E225 G230	P224-S228 PolarHBondContact O-N 3.05Å; P224-S228 VanDerWaalsContact O-N 3.09Å; P224-S228 PolarHBondContact O-OG 3.15Å; E225-S228 WeakPolarHBondContact CA-OG 3.07Å; S228-G230 PolarHBondContact O-N 3.45Å
229	C	58.7	Low	73.8	Confident	107 Å²	107	48.6 Å²	48.6	72%	0.723	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	33.6	177.9	-67.6	0	0	0	0	114.7	V227	V227-C229 PolarHBondContact O-N 2.9Å; V227-C229 VanDerWaalsContact O-N 3.13Å
230	G	53.9	Low	74.3	Confident	24 Å²	24	48 Å²	48	25%	0.247	26%	0.264	C	S	.	.			trans	-68.2	160	171.2	0	0	0	0	0	112.6	S228 I232	S228-G230 PolarHBondContact O-N 3.45Å; G230-I232 PolarHBondContact O-N 2.95Å
231	P	51.7	Low	74.6	Confident	92 Å²	92	45 Å²	45	60%	0.597	25%	0.252	S	S	*	.			trans	-56.8	113.8	175.7	21.9	-32	0	0	0	111.3	K233 S234 Y235	P231-K233 PolarHBondContact O-N 3.1Å; P231-K233 VanDerWaalsContact O-N 3.07Å; P231-S234 PolarHBondContact O-N 3.3Å; P231-S234 PolarHBondContact O-OG 2.99Å; P231-Y235 HydrophobicContact CG-CE2 4.42Å
232	I	54.1	Low	74.8	Confident	102 Å²	102	44.2 Å²	44.2	52%	0.523	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-55.9	-29.8	-171	-65.9	164.3	0	0	0	113.4	G230 S234	G230-I232 PolarHBondContact O-N 2.95Å; I232-S234 PolarHBondContact O-N 2.8Å
233	K	52.1	Low	75.2	Confident	209 Å²	209	44.1 Å²	44.1	91%	0.909	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-74.5	-25	-168.9	-70.6	-171.9	177.8	-176.9	0	114.7	P231	P231-K233 PolarHBondContact O-N 3.1Å; P231-K233 VanDerWaalsContact O-N 3.07Å
234	S	50.6	Low	75.6	Confident	78 Å²	78	44.1 Å²	44.1	55%	0.545	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-87.7	-16.9	-175.1	46.1	0	0	0	0	114.3	P231 I232	P231-S234 PolarHBondContact O-N 3.3Å; P231-S234 PolarHBondContact O-OG 2.99Å; I232-S234 PolarHBondContact O-N 2.8Å
235	Y	61.2	Low	76.1	Confident	90 Å²	90	43.5 Å²	43.5	35%	0.353	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.9	-6.5	-164.8	-54.7	-62.9	0	0	0	116.1	E225 P231 V237 K238 S239 V301	E225-Y235 HydrophobicContact CG-CG 4.24Å; P231-Y235 HydrophobicContact CG-CE2 4.42Å; Y235-V237 VanDerWaalsContact C-N 3.32Å; Y235-V237 PolarHBondContact O-N 3.09Å; Y235-V237 VanDerWaalsContact O-N 3.11Å; Y235-K238 PolarHBondContact O-N 3.17Å; Y235-S239 PolarHBondContact O-N 2.82Å; Y235-S239 PolarHBondContact O-OG 3.07Å; Y235-V301 HydrophobicContact CD1-CB 4.08Å; Y235-V301 HydrophobicContact CD1-CG1 3.51Å; Y235-V301 HydrophobicContact CD1-CG2 4.3Å; Y235-V301 HydrophobicContact CE1-CB 4.31Å; Y235-V301 HydrophobicContact CE1-CG1 4.17Å; Y235-V301 HydrophobicContact CG-CG1 4.34Å
236	G	75.3	Confident	76.7	Confident	12 Å²	12	42.8 Å²	42.8	12%	0.124	24%	0.241	C	C	.	.	H	α-helix	trans	-57.8	-36	-166.5	0	0	0	0	0	115.7	I179 S239 D240	I179-G236 WeakPolarHBondContact CG2-O 3.46Å; G236-S239 WeakPolarHBondContact O-CB 3.48Å; G236-S239 PolarHBondContact O-N 3.46Å; G236-D240 PolarHBondContact O-N 2.87Å; G236-D240 VanDerWaalsContact O-N 3.15Å
237	V	84	Confident	77.7	Confident	28 Å²	28	41.5 Å²	41.5	17%	0.17	24%	0.237	C	C	.	.	H	α-helix	trans	-63.8	-46.2	176.4	170.3	0	0	0	0	112	R173 I179 Y235 S239 D240 I241 Y307	R173-V237 VanDerWaalsContact CD-CG2 3.44Å; R173-V237 HydrophobicContact CG-CG2 4Å; I179-V237 HydrophobicContact CD1-CG2 4.49Å; I179-V237 HydrophobicContact CG1-CG2 4.17Å; Y235-V237 VanDerWaalsContact C-N 3.32Å; Y235-V237 PolarHBondContact O-N 3.09Å; Y235-V237 VanDerWaalsContact O-N 3.11Å; V237-S239 PolarHBondContact O-N 3.3Å; V237-D240 PolarHBondContact O-N 2.99Å; V237-I241 HydrophobicContact CG1-CD1 4.45Å; V237-I241 PolarHBondContact O-N 2.84Å; V237-Y307 HydrophobicContact CG1-CD2 4.02Å; V237-Y307 HydrophobicContact CG1-CE2 3.47Å; V237-Y307 VanDerWaalsContact CG1-CE2 3.47Å; V237-Y307 HydrophobicContact CG2-CE2 4.49Å
238	K	91	Very high	78.8	Confident	42 Å²	42	40.8 Å²	40.8	18%	0.183	23%	0.232	C	C	.	.	H	α-helix	trans	-68.8	-30.1	-179.9	-63	-69.4	-176.3	169.2	0	110.6	Y235 I241 W242 V301 R304 A305 D306	Y235-K238 PolarHBondContact O-N 3.17Å; K238-I241 HydrophobicContact CD-CD1 4.46Å; K238-I241 WeakPolarHBondContact O-CB 3.47Å; K238-I241 PolarHBondContact O-N 2.52Å; K238-W242 PolarHBondContact O-N 2.97Å; K238-W242 VanDerWaalsContact O-N 3.09Å; K238-V301 HydrophobicContact CB-CG1 3.54Å; K238-V301 HydrophobicContact CG-CG1 3.74Å; K238-R304 VanDerWaalsContact C-NH1 3.26Å; K238-R304 HydrophobicContact CD-CB 4.37Å; K238-R304 PolarHBondContact NZ-O 2.85Å; K238-R304 VanDerWaalsContact O-CD 3.3Å; K238-R304 WeakPolarHBondContact O-CD 3.4Å; K238-R304 PolarHBondContact O-NH1 3.35Å; K238-A305 VanDerWaalsContact CD-O 3.26Å; K238-A305 WeakPolarHBondContact CD-O 3.39Å; K238-A305 PolarHBondContact NZ-O 2.92Å; K238-D306 VanDerWaalsContact NZ-N 3.17Å
239	S	90	Very high	80.4	Confident	3 Å²	3	39.3 Å²	39.3	2%	0.021	22%	0.217	C	C	.	.	H	α-helix	trans	-63.9	-43	172.9	-54.5	0	0	0	0	112.4	E225 Y235 G236 V237 I241 W242 S243	E225-S239 VanDerWaalsContact OE1-CA 3.28Å; E225-S239 WeakPolarHBondContact OE1-CA 3.28Å; E225-S239 WeakPolarHBondContact OE1-CB 3.09Å; E225-S239 PolarHBondContact OE1-N 3.43Å; E225-S239 PolarHBondContact OE1-OG 3.45Å; Y235-S239 PolarHBondContact O-N 2.82Å; Y235-S239 PolarHBondContact O-OG 3.07Å; G236-S239 WeakPolarHBondContact O-CB 3.48Å; G236-S239 PolarHBondContact O-N 3.46Å; V237-S239 PolarHBondContact O-N 3.3Å; S239-I241 VanDerWaalsContact C-N 3.25Å; S239-I241 PolarHBondContact O-N 3.31Å; S239-W242 WeakPolarHBondContact O-CB 3.35Å; S239-W242 PolarHBondContact O-N 3.29Å; S239-S243 PolarHBondContact O-N 3.12Å; S239-S243 PolarHBondContact O-OG 2.8Å; S239-S243 VanDerWaalsContact O-OG 3.13Å
240	D	91.4	Very high	82.2	Confident	1 Å²	1	35.3 Å²	35.3	1%	0.005	19%	0.187	C	C	.	.	H	α-helix	trans	-61.9	-34.4	174.7	-80.1	-3.8	0	0	0	111.9	L169 I179 H180 R181 I183 G236 V237 S243 L244	L169-D240 HydrophobicContact CD2-CB 4.3Å; I179-D240 VanDerWaalsContact CG2-OD2 3.23Å; I179-D240 WeakPolarHBondContact CG2-OD2 3.3Å; H180-D240 PolarHBondContact N-OD2 2.71Å; R181-D240 VanDerWaalsContact CA-OD1 3.3Å; R181-D240 WeakPolarHBondContact CA-OD1 3.11Å; R181-D240 PolarHBondContact N-OD1 3.19Å; I183-D240 HydrophobicContact CG1-CB 4.3Å; G236-D240 PolarHBondContact O-N 2.87Å; G236-D240 VanDerWaalsContact O-N 3.15Å; V237-D240 PolarHBondContact O-N 2.99Å; D240-S243 PolarHBondContact O-N 3.38Å; D240-L244 WeakPolarHBondContact O-CB 3.13Å; D240-L244 PolarHBondContact O-N 3.07Å
241	I	95.5	Very high	84.4	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-66.7	-39.8	176.3	-70.2	174.4	0	0	0	111.7	V237 K238 S239 L244 G245 C296 R304 A305 D306 Y307 L310	V237-I241 HydrophobicContact CG1-CD1 4.45Å; V237-I241 PolarHBondContact O-N 2.84Å; K238-I241 HydrophobicContact CD-CD1 4.46Å; K238-I241 WeakPolarHBondContact O-CB 3.47Å; K238-I241 PolarHBondContact O-N 2.52Å; S239-I241 VanDerWaalsContact C-N 3.25Å; S239-I241 PolarHBondContact O-N 3.31Å; I241-L244 WeakPolarHBondContact O-CB 3.37Å; I241-L244 PolarHBondContact O-N 3.03Å; I241-G245 PolarHBondContact O-N 2.88Å; I241-C296 HydrophobicContact CG2-CB 4.06Å; I241-R304 HydrophobicContact CG2-CG 4.08Å; I241-A305 WeakPolarHBondContact CD1-O 3.08Å; I241-D306 VanDerWaalsContact CD1-CA 3.47Å; I241-Y307 HydrophobicContact CD1-CD1 3.88Å; I241-Y307 HydrophobicContact CD1-CE1 3.93Å; I241-Y307 HydrophobicContact CG1-CD1 3.88Å; I241-Y307 HydrophobicContact CG1-CE1 3.55Å; I241-L310 HydrophobicContact CD1-CD1 4.33Å; I241-L310 HydrophobicContact CG1-CD1 4.14Å; I241-L310 HydrophobicContact CG2-CD1 4.13Å
242	W	95.6	Very high	86.6	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-63.2	-48.7	173.2	173.5	-82.2	0	0	0	111.5	L222 A223 P224 K238 S239 L244 G245 L246 Y258 P276 L297 K299	L222-W242 PolarHBondContact O-NE1 3.15Å; A223-W242 HydrophobicContact CB-CB 3.76Å; A223-W242 HydrophobicContact CB-CD2 4.37Å; A223-W242 HydrophobicContact CB-CG 3.67Å; P224-W242 HydrophobicContact CG-CH2 3.78Å; P224-W242 HydrophobicContact CG-CZ2 3.85Å; P224-W242 HydrophobicContact CG-CZ3 4.15Å; K238-W242 PolarHBondContact O-N 2.97Å; K238-W242 VanDerWaalsContact O-N 3.09Å; S239-W242 WeakPolarHBondContact O-CB 3.35Å; S239-W242 PolarHBondContact O-N 3.29Å; W242-L244 VanDerWaalsContact C-N 3.27Å; W242-L244 PolarHBondContact O-N 3.21Å; W242-G245 WeakPolarHBondContact O-CA 3.01Å; W242-G245 PolarHBondContact O-N 2.9Å; W242-L246 PolarHBondContact O-N 3.01Å; W242-Y258 WeakPolarHBondContact CZ2-OH 3.48Å; W242-P276 HydrophobicContact CH2-CB 4.39Å; W242-L297 HydrophobicContact CD2-CD2 4.39Å; W242-L297 HydrophobicContact CE3-CD2 4.42Å; W242-K299 HydrophobicContact CH2-CG 4.06Å; W242-K299 HydrophobicContact CZ3-CG 4.14Å
243	S	95.1	Very high	88.6	Confident	2 Å²	2	26.2 Å²	26.2	1%	0.014	13%	0.13	C	C	.	.	H	α-helix	trans	-59.8	-38.3	177.6	-57.9	0	0	0	0	111.9	I183 Y221 S239 D240 S247	I183-S243 WeakPolarHBondContact O-CB 3.09Å; Y221-S243 WeakPolarHBondContact O-CA 3.48Å; Y221-S243 WeakPolarHBondContact O-CB 3.39Å; Y221-S243 PolarHBondContact O-OG 3.07Å; S239-S243 PolarHBondContact O-N 3.12Å; S239-S243 PolarHBondContact O-OG 2.8Å; S239-S243 VanDerWaalsContact O-OG 3.13Å; D240-S243 PolarHBondContact O-N 3.38Å; S243-S247 WeakPolarHBondContact O-CB 3.32Å; S243-S247 PolarHBondContact O-N 3.23Å; S243-S247 PolarHBondContact O-OG 2.89Å
244	L	97.4	Very high	90.7	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-60.7	-48.8	170.2	172.7	67.3	0	0	0	111.6	I165 V166 L169 I183 M188 D240 I241 W242 L246 S247 I248 F292 L310	I165-L244 HydrophobicContact CB-CD1 4.2Å; I165-L244 HydrophobicContact CG2-CD1 3.76Å; V166-L244 HydrophobicContact CG2-CD2 3.48Å; V166-L244 VanDerWaalsContact CG2-CD2 3.48Å; L169-L244 HydrophobicContact CD1-CD2 4.44Å; I183-L244 HydrophobicContact CG2-CB 4.23Å; M188-L244 HydrophobicContact CE-CD1 4.49Å; D240-L244 WeakPolarHBondContact O-CB 3.13Å; D240-L244 PolarHBondContact O-N 3.07Å; I241-L244 WeakPolarHBondContact O-CB 3.37Å; I241-L244 PolarHBondContact O-N 3.03Å; W242-L244 VanDerWaalsContact C-N 3.27Å; W242-L244 PolarHBondContact O-N 3.21Å; L244-L246 VanDerWaalsContact C-N 3.32Å; L244-L246 PolarHBondContact O-N 3.13Å; L244-S247 WeakPolarHBondContact O-CB 3.45Å; L244-S247 PolarHBondContact O-N 3.38Å; L244-S247 VanDerWaalsContact O-N 3.13Å; L244-I248 HydrophobicContact CD1-CD1 4.15Å; L244-I248 HydrophobicContact CD1-CG1 3.84Å; L244-I248 HydrophobicContact CG-CG1 4.35Å; L244-I248 WeakPolarHBondContact O-CG1 3.38Å; L244-I248 PolarHBondContact O-N 3.17Å; L244-F292 HydrophobicContact CD2-CZ 4.36Å; L244-L310 HydrophobicContact CD2-CD1 4.03Å
245	G	98.1	Very high	92.7	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-55.1	-46.3	178.4	0	0	0	0	0	112.4	I241 W242 I248 Y249 L293	I241-G245 PolarHBondContact O-N 2.88Å; W242-G245 WeakPolarHBondContact O-CA 3.01Å; W242-G245 PolarHBondContact O-N 2.9Å; G245-I248 PolarHBondContact O-N 2.9Å; G245-Y249 VanDerWaalsContact O-CB 3.31Å; G245-Y249 WeakPolarHBondContact O-CB 3.42Å; G245-Y249 PolarHBondContact O-N 3.3Å; G245-L293 VanDerWaalsContact O-CD2 3.26Å; G245-L293 WeakPolarHBondContact O-CD2 3.45Å
246	L	97.6	Very high	94.2	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-66.2	-38.8	176.7	-68	175.8	0	0	0	112.5	R220 Y221 W242 L244 Y249 E250 P257 Y258 P277 L297	R220-L246 WeakPolarHBondContact O-CD1 3.46Å; Y221-L246 HydrophobicContact CD1-CB 4.15Å; W242-L246 PolarHBondContact O-N 3.01Å; L244-L246 VanDerWaalsContact C-N 3.32Å; L244-L246 PolarHBondContact O-N 3.13Å; L246-Y249 PolarHBondContact O-N 3.14Å; L246-E250 WeakPolarHBondContact O-CB 3.29Å; L246-E250 PolarHBondContact O-N 3.05Å; L246-P257 HydrophobicContact CD2-CG 3.6Å; L246-Y258 HydrophobicContact CD1-CD2 4.47Å; L246-Y258 HydrophobicContact CD1-CE2 3.74Å; L246-Y258 HydrophobicContact CD2-CE2 3.93Å; L246-P277 HydrophobicContact CD2-CG 3.74Å; L246-L297 HydrophobicContact CD2-CD2 3.67Å; L246-L297 HydrophobicContact CG-CD2 3.73Å
247	S	98	Very high	95	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-62.6	-47.4	176.7	-59.4	0	0	0	0	111.8	K184 S243 L244 E250 L251	K184-S247 WeakPolarHBondContact CA-OG 3.35Å; S243-S247 WeakPolarHBondContact O-CB 3.32Å; S243-S247 PolarHBondContact O-N 3.23Å; S243-S247 PolarHBondContact O-OG 2.89Å; L244-S247 WeakPolarHBondContact O-CB 3.45Å; L244-S247 PolarHBondContact O-N 3.38Å; L244-S247 VanDerWaalsContact O-N 3.13Å; S247-E250 PolarHBondContact O-N 2.74Å; S247-L251 VanDerWaalsContact O-CG 3.25Å; S247-L251 WeakPolarHBondContact O-CG 3.48Å; S247-L251 PolarHBondContact O-N 2.85Å
248	I	98.4	Very high	95.4	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-68.7	-37.6	178.4	-59.6	-51.8	0	0	0	111	I161 T162 L244 G245 L251 A252 L289 L293	I161-I248 HydrophobicContact CG2-CD1 4.08Å; T162-I248 HydrophobicContact CG2-CG1 4.41Å; T162-I248 WeakPolarHBondContact OG1-CD1 3.42Å; L244-I248 HydrophobicContact CD1-CD1 4.15Å; L244-I248 HydrophobicContact CD1-CG1 3.84Å; L244-I248 HydrophobicContact CG-CG1 4.35Å; L244-I248 WeakPolarHBondContact O-CG1 3.38Å; L244-I248 PolarHBondContact O-N 3.17Å; G245-I248 PolarHBondContact O-N 2.9Å; I248-L251 HydrophobicContact CD1-CD1 4.22Å; I248-L251 PolarHBondContact O-N 3.49Å; I248-A252 WeakPolarHBondContact O-CB 3.38Å; I248-A252 PolarHBondContact O-N 3.44Å; I248-L289 HydrophobicContact CG2-CD1 3.84Å; I248-L293 HydrophobicContact CB-CD2 3.93Å; I248-L293 HydrophobicContact CG2-CD2 3.96Å
249	Y	98.4	Very high	95.2	Very high	35 Å²	35	17.1 Å²	17.1	14%	0.137	9%	0.092	C	C	.	.	H	α-helix	trans	-57.7	-50.8	172.8	177.8	-82.7	0	0	0	110.8	G245 L246 L251 A252 T253 P257 P277 L293	G245-Y249 VanDerWaalsContact O-CB 3.31Å; G245-Y249 WeakPolarHBondContact O-CB 3.42Å; G245-Y249 PolarHBondContact O-N 3.3Å; L246-Y249 PolarHBondContact O-N 3.14Å; Y249-L251 VanDerWaalsContact C-N 3.35Å; Y249-L251 PolarHBondContact O-N 2.86Å; Y249-A252 WeakPolarHBondContact O-CB 3.5Å; Y249-A252 PolarHBondContact O-N 3.12Å; Y249-T253 HydrophobicContact CD1-CG2 4.08Å; Y249-T253 HydrophobicContact CD2-CG2 4.29Å; Y249-T253 HydrophobicContact CE1-CG2 3.73Å; Y249-T253 HydrophobicContact CE2-CG2 3.94Å; Y249-T253 HydrophobicContact CG-CG2 4.36Å; Y249-T253 WeakPolarHBondContact O-CG2 3.45Å; Y249-T253 PolarHBondContact O-N 2.94Å; Y249-T253 PolarHBondContact O-OG1 3.19Å; Y249-P257 HydrophobicContact CD1-CB 4.3Å; Y249-P257 HydrophobicContact CD1-CG 4.02Å; Y249-P257 HydrophobicContact CE1-CB 3.8Å; Y249-P257 HydrophobicContact CE1-CG 4.05Å; Y249-P277 HydrophobicContact CD2-CB 4.19Å; Y249-P277 HydrophobicContact CE1-CB 4.38Å; Y249-P277 HydrophobicContact CE2-CB 3.83Å; Y249-L293 HydrophobicContact CD2-CD1 4.42Å
250	E	97.9	Very high	94.9	Very high	23 Å²	23	21.8 Å²	21.8	11%	0.107	12%	0.122	C	C	.	.	H	α-helix	trans	-62.3	-40.4	179.9	174.4	164.7	-167	0	0	112.6	L143 Y221 L246 S247 A252 T253 G254 N256	L143-E250 HydrophobicContact CD2-CG 3.61Å; L143-E250 WeakPolarHBondContact CD2-O 3.46Å; Y221-E250 WeakPolarHBondContact CE1-OE2 3.33Å; Y221-E250 PolarHBondContact OH-OE2 3.45Å; L246-E250 WeakPolarHBondContact O-CB 3.29Å; L246-E250 PolarHBondContact O-N 3.05Å; S247-E250 PolarHBondContact O-N 2.74Å; E250-A252 VanDerWaalsContact C-N 3.26Å; E250-A252 PolarHBondContact O-N 3.29Å; E250-T253 PolarHBondContact O-N 3.13Å; E250-G254 VanDerWaalsContact O-CA 3.31Å; E250-G254 WeakPolarHBondContact O-CA 3.36Å; E250-G254 PolarHBondContact O-N 3.32Å; E250-N256 HydrophobicContact CG-CB 4.47Å; E250-N256 WeakPolarHBondContact OE2-CB 3.35Å; E250-N256 PolarHBondContact OE2-ND2 3.36Å
251	L	98.2	Very high	94.5	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.005	14%	0.135	C	C	.	.	H	α-helix	trans	-63.6	-32.4	173.9	-70.3	170.4	0	0	0	112.5	L139 L143 I153 L158 I161 P185 S247 I248 Y249	L139-L251 HydrophobicContact CB-CD2 3.91Å; L139-L251 HydrophobicContact CD1-CD1 3.84Å; L143-L251 HydrophobicContact CB-CD2 4.37Å; L143-L251 HydrophobicContact CD1-CD2 4.45Å; L143-L251 HydrophobicContact CD2-CD2 4.49Å; I153-L251 HydrophobicContact CD1-CB 4.23Å; I153-L251 HydrophobicContact CD1-CD2 3.91Å; L158-L251 HydrophobicContact CD2-CB 3.68Å; I161-L251 HydrophobicContact CG2-CD1 4.16Å; P185-L251 HydrophobicContact CB-CD2 4.27Å; P185-L251 HydrophobicContact CG-CD2 4.43Å; P185-L251 HydrophobicContact CG-CG 4.27Å; S247-L251 VanDerWaalsContact O-CG 3.25Å; S247-L251 WeakPolarHBondContact O-CG 3.48Å; S247-L251 PolarHBondContact O-N 2.85Å; I248-L251 HydrophobicContact CD1-CD1 4.22Å; I248-L251 PolarHBondContact O-N 3.49Å; Y249-L251 VanDerWaalsContact C-N 3.35Å; Y249-L251 PolarHBondContact O-N 2.86Å
252	A	97.9	Very high	94	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.008	18%	0.175	C	C	.	.	H	α-helix	trans	-78.5	-40.4	178.7	0	0	0	0	0	112.8	L158 I248 Y249 E250 L279 Y285 L289	L158-A252 HydrophobicContact CD1-CB 3.84Å; I248-A252 WeakPolarHBondContact O-CB 3.38Å; I248-A252 PolarHBondContact O-N 3.44Å; Y249-A252 WeakPolarHBondContact O-CB 3.5Å; Y249-A252 PolarHBondContact O-N 3.12Å; E250-A252 VanDerWaalsContact C-N 3.26Å; E250-A252 PolarHBondContact O-N 3.29Å; A252-L279 HydrophobicContact CB-CD1 4.07Å; A252-Y285 WeakPolarHBondContact CA-OH 3.24Å; A252-Y285 HydrophobicContact CB-CD2 4.38Å; A252-Y285 HydrophobicContact CB-CE2 3.79Å; A252-Y285 VanDerWaalsContact O-CE2 3.23Å; A252-Y285 WeakPolarHBondContact O-CE2 3.26Å; A252-Y285 PolarHBondContact O-OH 3.23Å; A252-L289 HydrophobicContact CB-CD2 4.37Å
253	T	96.5	Very high	93.2	Very high	25 Å²	25	36.6 Å²	36.6	15%	0.153	20%	0.195	C	C	.	.	H	α-helix	trans	-93.8	-19.4	-174.3	61.4	0	0	0	0	113.8	Y249 E250 T255 L279 L283	Y249-T253 HydrophobicContact CD1-CG2 4.08Å; Y249-T253 HydrophobicContact CD2-CG2 4.29Å; Y249-T253 HydrophobicContact CE1-CG2 3.73Å; Y249-T253 HydrophobicContact CE2-CG2 3.94Å; Y249-T253 HydrophobicContact CG-CG2 4.36Å; Y249-T253 WeakPolarHBondContact O-CG2 3.45Å; Y249-T253 PolarHBondContact O-N 2.94Å; Y249-T253 PolarHBondContact O-OG1 3.19Å; E250-T253 PolarHBondContact O-N 3.13Å; T253-T255 PolarHBondContact O-N 2.96Å; T253-T255 PolarHBondContact OG1-N 3.33Å; T253-T255 VanDerWaalsContact OG1-N 3.1Å; T253-T255 PolarHBondContact OG1-O 3.37Å; T253-L279 HydrophobicContact CG2-CD1 3.67Å; T253-L283 HydrophobicContact CG2-CD1 3.96Å
254	G	95.7	Very high	92.4	Very high	8 Å²	8	41.3 Å²	41.3	8%	0.082	23%	0.225	C	C	.	.	S	Bend	trans	79.8	-2.7	-168.2	0	0	0	0	0	113.9	K147 E250	K147-G254 WeakPolarHBondContact CD-O 3.46Å; K147-G254 WeakPolarHBondContact CE-O 3.32Å; K147-G254 PolarHBondContact NZ-O 3.07Å; E250-G254 VanDerWaalsContact O-CA 3.31Å; E250-G254 WeakPolarHBondContact O-CA 3.36Å; E250-G254 PolarHBondContact O-N 3.32Å
255	T	93.2	Very high	91.7	Very high	77 Å²	77	45.8 Å²	45.8	47%	0.472	25%	0.252	S	S	.	.	S	Bend	trans	-139.7	132.8	-176.3	53.5	0	0	0	0	111.9	T253	T253-T255 PolarHBondContact O-N 2.96Å; T253-T255 PolarHBondContact OG1-N 3.33Å; T253-T255 VanDerWaalsContact OG1-N 3.1Å; T253-T255 PolarHBondContact OG1-O 3.37Å
256	N	93	Very high	91.1	Very high	19 Å²	19	47.6 Å²	47.6	10%	0.102	26%	0.262	C	S	.	.			trans	-61.6	136.9	166.2	-163.5	-79.3	0	0	0	109.4	E250 Y258	E250-N256 HydrophobicContact CG-CB 4.47Å; E250-N256 WeakPolarHBondContact OE2-CB 3.35Å; E250-N256 PolarHBondContact OE2-ND2 3.36Å; N256-Y258 PolarHBondContact O-N 3.12Å; N256-Y258 PolarHBondContact OD1-N 3.19Å
257	P	92.5	Very high	90.4	Very high	31 Å²	31	47.8 Å²	47.8	20%	0.201	26%	0.264	C	S	.	.	S	Bend	trans	-70.3	-16.3	-178.6	27	-33.5	0	0	0	113.4	L246 Y249 P277	L246-P257 HydrophobicContact CD2-CG 3.6Å; Y249-P257 HydrophobicContact CD1-CB 4.3Å; Y249-P257 HydrophobicContact CD1-CG 4.02Å; Y249-P257 HydrophobicContact CE1-CB 3.8Å; Y249-P257 HydrophobicContact CE1-CG 4.05Å; P257-P277 HydrophobicContact CB-CB 3.63Å; P257-P277 HydrophobicContact CB-CG 3.76Å; P257-P277 HydrophobicContact CG-CB 4.03Å; P257-P277 HydrophobicContact CG-CG 3.61Å
258	Y	91.6	Very high	89.8	Confident	8 Å²	8	51.3 Å²	51.3	3%	0.031	28%	0.279	C	S	.	.	S	Bend	trans	-101.9	133	177	-54.7	-57.4	0	0	0	111.7	R220 W242 L246 N256 Q270 I271	R220-Y258 WeakPolarHBondContact CD-O 3.47Å; R220-Y258 VanDerWaalsContact O-CD2 3.26Å; R220-Y258 WeakPolarHBondContact O-CD2 3.42Å; W242-Y258 WeakPolarHBondContact CZ2-OH 3.48Å; L246-Y258 HydrophobicContact CD1-CD2 4.47Å; L246-Y258 HydrophobicContact CD1-CE2 3.74Å; L246-Y258 HydrophobicContact CD2-CE2 3.93Å; N256-Y258 PolarHBondContact O-N 3.12Å; N256-Y258 PolarHBondContact OD1-N 3.19Å; Y258-Q270 HydrophobicContact CD1-CB 3.97Å; Y258-Q270 WeakPolarHBondContact CE1-O 3.35Å; Y258-I271 HydrophobicContact CE2-CG1 4.45Å
259	E	86.5	Confident	89.2	Confident	126 Å²	126	54.5 Å²	54.5	59%	0.589	30%	0.296	S	S	*	.	P	Polyproline II helix	trans	-80.6	150.6	177.2	-65.3	178.9	162.3	0	0	109.8	W219 Q270	W219-E259 WeakPolarHBondContact CH2-O 3.4Å; W219-E259 WeakPolarHBondContact CZ2-O 3.5Å; E259-Q270 PolarHBondContact O-NE2 2.99Å; E259-Q270 PolarHBondContact O-OE1 3.34Å
260	P	85.4	Confident	88.9	Confident	101 Å²	101	52.9 Å²	52.9	66%	0.656	29%	0.289	S	S	*	.	P	Polyproline II helix	trans	-48.7	126.2	169.9	-26	35	0	0	0	110.5
261	P	82.2	Confident	88.4	Confident	43 Å²	43	51.8 Å²	51.8	28%	0.279	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-83.6	150.8	-167.4	35.3	-25	0	0	0	109.7	W219 D266 A267	W219-P261 HydrophobicContact CD2-CG 4.24Å; W219-P261 HydrophobicContact CH2-CB 3.97Å; W219-P261 HydrophobicContact CH2-CG 3.94Å; W219-P261 HydrophobicContact CZ2-CB 3.89Å; W219-P261 HydrophobicContact CZ2-CG 3.39Å; P261-D266 WeakPolarHBondContact CA-OD2 3.46Å; P261-D266 HydrophobicContact CB-CB 4.37Å; P261-A267 HydrophobicContact CB-CB 3.75Å; P261-A267 HydrophobicContact CG-CB 4Å
262	K	84.7	Confident	87.9	Confident	190 Å²	190	53.4 Å²	53.4	83%	0.826	30%	0.295	S	S	*	.	S	Bend	trans	-73.2	-34.9	176.3	-63.9	176.3	-173.9	171.4	0	112.4	D266	K262-D266 HydrophobicContact CB-CB 4.4Å; K262-D266 PolarHBondContact N-OD2 3.35Å
263	D	79.7	Confident	87.5	Confident	79 Å²	79	58.1 Å²	58.1	42%	0.422	32%	0.319	S	S	.	.	S	Bend	trans	-159	170.8	-178.5	59.6	60	0	0	0	109.5	V265 D266 A267	D263-V265 PolarHBondContact O-N 3.4Å; D263-V265 VanDerWaalsContact OD1-CA 3.31Å; D263-V265 WeakPolarHBondContact OD1-CA 3.42Å; D263-V265 VanDerWaalsContact OD1-CB 3.22Å; D263-V265 WeakPolarHBondContact OD1-CB 3.33Å; D263-V265 PolarHBondContact OD1-N 3.35Å; D263-D266 WeakPolarHBondContact O-CB 3.31Å; D263-D266 PolarHBondContact O-N 2.87Å; D263-D266 PolarHBondContact OD1-N 3.41Å; D263-A267 PolarHBondContact O-N 2.69Å; D263-A267 VanDerWaalsContact O-N 3.09Å
264	P	77.6	Confident	87.3	Confident	100 Å²	100	62.1 Å²	62.1	65%	0.649	33%	0.332	S	S	*	.	H	α-helix	trans	-59.5	-25.3	179.1	-27.6	36.7	0	0	0	115.1	F268	P264-F268 WeakPolarHBondContact O-CB 3.2Å; P264-F268 PolarHBondContact O-N 2.66Å
265	V	82.2	Confident	87.2	Confident	95 Å²	95	68.5 Å²	68.5	58%	0.576	36%	0.364	S	S	*	.	H	α-helix	trans	-74.9	-39.5	177.8	-178.8	0	0	0	0	110.1	D263 F268 N269	D263-V265 PolarHBondContact O-N 3.4Å; D263-V265 VanDerWaalsContact OD1-CA 3.31Å; D263-V265 WeakPolarHBondContact OD1-CA 3.42Å; D263-V265 VanDerWaalsContact OD1-CB 3.22Å; D263-V265 WeakPolarHBondContact OD1-CB 3.33Å; D263-V265 PolarHBondContact OD1-N 3.35Å; V265-F268 WeakPolarHBondContact O-CB 3.29Å; V265-F268 PolarHBondContact O-N 2.92Å; V265-N269 WeakPolarHBondContact O-CB 3.36Å; V265-N269 VanDerWaalsContact O-CG 3.31Å; V265-N269 PolarHBondContact O-N 2.54Å; V265-N269 PolarHBondContact O-ND2 3.36Å; V265-N269 VanDerWaalsContact O-ND2 3.14Å
266	D	86.9	Confident	87.2	Confident	38 Å²	38	67.2 Å²	67.2	20%	0.203	36%	0.357	C	S	.	.	H	α-helix	trans	-60.7	-45.7	170.7	-175.3	54.5	0	0	0	111.2	P261 K262 D263 F268 N269 Q270	P261-D266 WeakPolarHBondContact CA-OD2 3.46Å; P261-D266 HydrophobicContact CB-CB 4.37Å; K262-D266 HydrophobicContact CB-CB 4.4Å; K262-D266 PolarHBondContact N-OD2 3.35Å; D263-D266 WeakPolarHBondContact O-CB 3.31Å; D263-D266 PolarHBondContact O-N 2.87Å; D263-D266 PolarHBondContact OD1-N 3.41Å; D266-F268 VanDerWaalsContact C-N 3.35Å; D266-F268 PolarHBondContact O-N 2.71Å; D266-N269 PolarHBondContact O-N 3.11Å; D266-N269 VanDerWaalsContact O-N 3.17Å; D266-Q270 WeakPolarHBondContact O-CG 3.37Å; D266-Q270 PolarHBondContact O-N 3.45Å; D266-Q270 PolarHBondContact OD2-NE2 3.33Å; D266-Q270 VanDerWaalsContact OD2-NE2 3.07Å
267	A	83	Confident	87.3	Confident	4 Å²	4	67.1 Å²	67.1	3%	0.033	36%	0.357	C	S	.	.	H	α-helix	trans	-57.1	-46.2	174.1	0	0	0	0	0	112.3	W219 P261 D263 N269 Q270 I271	W219-A267 HydrophobicContact CD2-CB 4.31Å; W219-A267 HydrophobicContact CE3-CB 3.71Å; W219-A267 HydrophobicContact CH2-CB 4.34Å; W219-A267 HydrophobicContact CZ3-CB 3.71Å; P261-A267 HydrophobicContact CB-CB 3.75Å; P261-A267 HydrophobicContact CG-CB 4Å; D263-A267 PolarHBondContact O-N 2.69Å; D263-A267 VanDerWaalsContact O-N 3.09Å; A267-N269 PolarHBondContact O-N 3.42Å; A267-Q270 PolarHBondContact O-N 2.72Å; A267-I271 WeakPolarHBondContact O-CG1 3.18Å; A267-I271 PolarHBondContact O-N 3.02Å; A267-I271 VanDerWaalsContact O-N 3.1Å
268	F	83.9	Confident	87.4	Confident	74 Å²	74	69.3 Å²	69.3	33%	0.325	37%	0.373	S	S	.	.	H	α-helix	trans	-57.6	-48.4	174.5	178.9	-82.4	0	0	0	111.5	V227 P264 V265 D266 Q270 I271 V272	V227-F268 HydrophobicContact CG1-CB 4.36Å; V227-F268 HydrophobicContact CG1-CD2 3.68Å; V227-F268 HydrophobicContact CG1-CE2 4.45Å; V227-F268 HydrophobicContact CG1-CG 4.43Å; P264-F268 WeakPolarHBondContact O-CB 3.2Å; P264-F268 PolarHBondContact O-N 2.66Å; V265-F268 WeakPolarHBondContact O-CB 3.29Å; V265-F268 PolarHBondContact O-N 2.92Å; D266-F268 VanDerWaalsContact C-N 3.35Å; D266-F268 PolarHBondContact O-N 2.71Å; F268-Q270 VanDerWaalsContact C-N 3.34Å; F268-Q270 PolarHBondContact O-N 2.94Å; F268-I271 PolarHBondContact O-N 2.77Å; F268-V272 HydrophobicContact CD1-CB 4.29Å; F268-V272 HydrophobicContact CD1-CG2 4.36Å; F268-V272 HydrophobicContact CD2-CG2 4.04Å; F268-V272 HydrophobicContact CE1-CB 3.93Å; F268-V272 HydrophobicContact CE1-CG1 4.09Å; F268-V272 HydrophobicContact CE1-CG2 4.14Å; F268-V272 HydrophobicContact CE2-CB 4.46Å; F268-V272 HydrophobicContact CE2-CG2 3.8Å; F268-V272 HydrophobicContact CG-CG2 4.29Å; F268-V272 HydrophobicContact CZ-CB 4.02Å; F268-V272 HydrophobicContact CZ-CG1 3.95Å; F268-V272 HydrophobicContact CZ-CG2 3.84Å; F268-V272 WeakPolarHBondContact O-CB 3.39Å; F268-V272 WeakPolarHBondContact O-CG2 3.26Å; F268-V272 PolarHBondContact O-N 3.07Å
269	N	87.4	Confident	87.6	Confident	66 Å²	66	69.3 Å²	69.3	35%	0.353	37%	0.374	S	S	.	.	I	π-helix	trans	-62.5	-40.6	-179.9	-76.5	-37.6	0	0	0	112.2	V265 D266 A267 N273 R274	V265-N269 WeakPolarHBondContact O-CB 3.36Å; V265-N269 VanDerWaalsContact O-CG 3.31Å; V265-N269 PolarHBondContact O-N 2.54Å; V265-N269 PolarHBondContact O-ND2 3.36Å; V265-N269 VanDerWaalsContact O-ND2 3.14Å; D266-N269 PolarHBondContact O-N 3.11Å; D266-N269 VanDerWaalsContact O-N 3.17Å; A267-N269 PolarHBondContact O-N 3.42Å; N269-N273 WeakPolarHBondContact O-CA 3.47Å; N269-N273 WeakPolarHBondContact O-CB 3.28Å; N269-N273 PolarHBondContact O-N 2.88Å; N269-N273 PolarHBondContact OD1-ND2 2.84Å; N269-R274 PolarHBondContact O-N 2.84Å
270	Q	90.5	Very high	88	Confident	1 Å²	1	65.8 Å²	65.8	1%	0.005	36%	0.363	C	S	.	.	I	π-helix	trans	-61.6	-44.2	176.9	-71.3	-166	61.9	0	0	111.7	Y258 E259 D266 A267 F268 R274	Y258-Q270 HydrophobicContact CD1-CB 3.97Å; Y258-Q270 WeakPolarHBondContact CE1-O 3.35Å; E259-Q270 PolarHBondContact O-NE2 2.99Å; E259-Q270 PolarHBondContact O-OE1 3.34Å; D266-Q270 WeakPolarHBondContact O-CG 3.37Å; D266-Q270 PolarHBondContact O-N 3.45Å; D266-Q270 PolarHBondContact OD2-NE2 3.33Å; D266-Q270 VanDerWaalsContact OD2-NE2 3.07Å; A267-Q270 PolarHBondContact O-N 2.72Å; F268-Q270 VanDerWaalsContact C-N 3.34Å; F268-Q270 PolarHBondContact O-N 2.94Å; Q270-R274 WeakPolarHBondContact O-CB 3.22Å
271	I	88.2	Confident	88.4	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	37%	0.37	C	S	.	.	I	π-helix	trans	-79	-46.8	-176.5	-65.7	170.5	0	0	0	112.1	W219 L222 P224 V227 Y258 A267 F268	W219-I271 HydrophobicContact CE3-CD1 3.72Å; W219-I271 HydrophobicContact CE3-CG1 4.43Å; W219-I271 HydrophobicContact CZ3-CD1 3.96Å; W219-I271 HydrophobicContact CZ3-CG1 4.18Å; L222-I271 HydrophobicContact CB-CD1 4.18Å; P224-I271 HydrophobicContact CB-CG2 4.27Å; P224-I271 HydrophobicContact CG-CG2 4.09Å; V227-I271 HydrophobicContact CG2-CB 4.41Å; V227-I271 HydrophobicContact CG2-CD1 3.75Å; V227-I271 HydrophobicContact CG2-CG2 3.96Å; Y258-I271 HydrophobicContact CE2-CG1 4.45Å; A267-I271 WeakPolarHBondContact O-CG1 3.18Å; A267-I271 PolarHBondContact O-N 3.02Å; A267-I271 VanDerWaalsContact O-N 3.1Å; F268-I271 PolarHBondContact O-N 2.77Å
272	V	87.7	Confident	89	Confident	36 Å²	36	70.7 Å²	70.7	22%	0.218	39%	0.391	C	S	.	.	I	π-helix	trans	-88.6	-35.9	-168.7	-178.8	0	0	0	0	112	P224 V227 F268 K299	P224-V272 HydrophobicContact CB-CG2 4.49Å; V227-V272 HydrophobicContact CB-CG2 4.47Å; F268-V272 HydrophobicContact CD1-CB 4.29Å; F268-V272 HydrophobicContact CD1-CG2 4.36Å; F268-V272 HydrophobicContact CD2-CG2 4.04Å; F268-V272 HydrophobicContact CE1-CB 3.93Å; F268-V272 HydrophobicContact CE1-CG1 4.09Å; F268-V272 HydrophobicContact CE1-CG2 4.14Å; F268-V272 HydrophobicContact CE2-CB 4.46Å; F268-V272 HydrophobicContact CE2-CG2 3.8Å; F268-V272 HydrophobicContact CG-CG2 4.29Å; F268-V272 HydrophobicContact CZ-CB 4.02Å; F268-V272 HydrophobicContact CZ-CG1 3.95Å; F268-V272 HydrophobicContact CZ-CG2 3.84Å; F268-V272 WeakPolarHBondContact O-CB 3.39Å; F268-V272 WeakPolarHBondContact O-CG2 3.26Å; F268-V272 PolarHBondContact O-N 3.07Å; V272-K299 PolarHBondContact O-NZ 2.81Å
273	N	89.1	Confident	89.5	Confident	99 Å²	99	62.7 Å²	62.7	53%	0.529	36%	0.357	S	S	.	.	I	π-helix	trans	-102.5	-32.1	-169.5	-64.6	-31.2	0	0	0	114.1	N269	N269-N273 WeakPolarHBondContact O-CA 3.47Å; N269-N273 WeakPolarHBondContact O-CB 3.28Å; N269-N273 PolarHBondContact O-N 2.88Å; N269-N273 PolarHBondContact OD1-ND2 2.84Å
274	R	92.5	Very high	90.3	Very high	109 Å²	109	63.1 Å²	63.1	41%	0.411	36%	0.364	S	S	.	.	S	Bend	trans	-71.8	146	176.6	-63.5	-173.8	179.1	-171	3.6	112	N269 Q270 K299	N269-R274 PolarHBondContact O-N 2.84Å; Q270-R274 WeakPolarHBondContact O-CB 3.22Å; R274-K299 WeakPolarHBondContact O-CE 3.4Å; R274-K299 PolarHBondContact O-NZ 2.96Å
275	D	92.8	Very high	91.2	Very high	142 Å²	142	59 Å²	59	76%	0.759	34%	0.336	S	S	*	.	P	Polyproline II helix	trans	-56.2	146	174	-68.9	-30.3	0	0	0	111.5
276	P	93.3	Very high	91.9	Very high	50 Å²	50	56 Å²	56	33%	0.325	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-60.3	145.5	175.4	26.5	-33.4	0	0	0	110.6	W242 L297	W242-P276 HydrophobicContact CH2-CB 4.39Å; P276-L297 HydrophobicContact CB-CB 4.25Å; P276-L297 WeakPolarHBondContact CB-O 3.22Å; P276-L297 WeakPolarHBondContact CG-O 3.24Å
277	P	95.4	Very high	92.4	Very high	17 Å²	17	59.3 Å²	59.3	11%	0.11	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-70.7	144.7	-177.8	24.2	-24.5	0	0	0	111	L246 Y249 P257 L297	L246-P277 HydrophobicContact CD2-CG 3.74Å; Y249-P277 HydrophobicContact CD2-CB 4.19Å; Y249-P277 HydrophobicContact CE1-CB 4.38Å; Y249-P277 HydrophobicContact CE2-CB 3.83Å; P257-P277 HydrophobicContact CB-CB 3.63Å; P257-P277 HydrophobicContact CB-CG 3.76Å; P257-P277 HydrophobicContact CG-CB 4.03Å; P257-P277 HydrophobicContact CG-CG 3.61Å; P277-L297 HydrophobicContact CG-CD1 3.96Å; P277-L297 WeakPolarHBondContact O-CD1 3.37Å
278	S	95.6	Very high	93.1	Very high	77 Å²	77	62.9 Å²	62.9	54%	0.538	35%	0.352	S	S	.	.			trans	-129.2	140.7	176.7	67.2	0	0	0	0	110.4	S280	S278-S280 PolarHBondContact O-N 2.79Å
279	L	95.8	Very high	93.8	Very high	8 Å²	8	59.4 Å²	59.4	4%	0.042	34%	0.337	C	S	.	.			trans	-73.6	120.4	-179.9	-167.4	74.3	0	0	0	110.8	A252 T253 L283 Y285 L289 R290 L293	A252-L279 HydrophobicContact CB-CD1 4.07Å; T253-L279 HydrophobicContact CG2-CD1 3.67Å; L279-L283 HydrophobicContact CD1-CD1 3.39Å; L279-L283 HydrophobicContact CG-CD1 3.96Å; L279-Y285 HydrophobicContact CD1-CD2 4.26Å; L279-Y285 HydrophobicContact CD2-CD2 3.69Å; L279-Y285 HydrophobicContact CD2-CG 4Å; L279-Y285 HydrophobicContact CG-CD2 4.33Å; L279-L289 HydrophobicContact CD2-CD2 3.95Å; L279-L289 HydrophobicContact CD2-CG 4.11Å; L279-R290 HydrophobicContact CB-CG 4.16Å; L279-R290 HydrophobicContact CD2-CG 4.04Å; L279-R290 PolarHBondContact O-NE 3.29Å; L279-L293 HydrophobicContact CB-CD1 3.96Å; L279-L293 HydrophobicContact CD1-CD1 4.49Å; L279-L293 HydrophobicContact CD2-CD1 4.19Å; L279-L293 HydrophobicContact CG-CD1 4.48Å
280	S	94.5	Very high	94.3	Very high	53 Å²	53	57.8 Å²	57.8	37%	0.371	33%	0.326	S	S	.	.			trans	-65.1	152.7	-175.7	57.1	0	0	0	0	113.2	S278 N282 L283 R290	S278-S280 PolarHBondContact O-N 2.79Å; S280-N282 VanDerWaalsContact C-N 3.25Å; S280-N282 WeakPolarHBondContact CB-OD1 3.39Å; S280-N282 PolarHBondContact O-N 2.9Å; S280-N282 PolarHBondContact OG-OD1 3.24Å; S280-L283 PolarHBondContact O-N 3.18Å; S280-L283 WeakPolarHBondContact OG-CD1 3.49Å; S280-L283 WeakPolarHBondContact OG-CG 3.31Å; S280-R290 PolarHBondContact O-NE 2.87Å; S280-R290 PolarHBondContact O-NH2 3.11Å
281	S	93.8	Very high	94.6	Very high	115 Å²	115	61.8 Å²	61.8	80%	0.804	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-17.4	-178.7	53.8	0	0	0	0	114	L283	S281-L283 VanDerWaalsContact C-N 3.33Å
282	N	94.4	Very high	95.1	Very high	132 Å²	132	61.9 Å²	61.9	71%	0.706	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-8.3	176.9	67.8	-29.9	0	0	0	113.9	S280	S280-N282 VanDerWaalsContact C-N 3.25Å; S280-N282 WeakPolarHBondContact CB-OD1 3.39Å; S280-N282 PolarHBondContact O-N 2.9Å; S280-N282 PolarHBondContact OG-OD1 3.24Å
283	L	95.3	Very high	95.6	Very high	21 Å²	21	60.1 Å²	60.1	11%	0.11	34%	0.337	C	S	.	.	S	Bend	trans	-83.2	149.2	175.3	-69.8	171.3	0	0	0	111.3	Y152 T253 L279 S280 S281 Y285 R290	Y152-L283 HydrophobicContact CE1-CD2 3.63Å; T253-L283 HydrophobicContact CG2-CD1 3.96Å; L279-L283 HydrophobicContact CD1-CD1 3.39Å; L279-L283 HydrophobicContact CG-CD1 3.96Å; S280-L283 PolarHBondContact O-N 3.18Å; S280-L283 WeakPolarHBondContact OG-CD1 3.49Å; S280-L283 WeakPolarHBondContact OG-CG 3.31Å; S281-L283 VanDerWaalsContact C-N 3.33Å; L283-Y285 HydrophobicContact CB-CD2 3.75Å; L283-Y285 HydrophobicContact CB-CE2 4.17Å; L283-Y285 PolarHBondContact O-N 2.82Å; L283-R290 PolarHBondContact O-NH2 3.2Å
284	P	95.8	Very high	96	Very high	89 Å²	89	59.1 Å²	59.1	58%	0.578	33%	0.332	S	S	*	.	S	Bend	trans	-79.3	38.3	-169.8	36.2	-39.4	0	0	0	113.5	Y152	Y152-P284 HydrophobicContact CD2-CG 4.03Å; Y152-P284 HydrophobicContact CG-CG 4.25Å
285	Y	97.4	Very high	96.2	Very high	14 Å²	14	56.5 Å²	56.5	6%	0.055	33%	0.325	C	S	.	.			trans	-114.7	154.3	-176.5	-58.9	-65.9	0	0	0	112	I153 E155 L158 A252 L279 L283 L289 R290	I153-Y285 WeakPolarHBondContact O-CE1 3.49Å; I153-Y285 PolarHBondContact O-OH 2.88Å; E155-Y285 HydrophobicContact CB-CD1 4.08Å; E155-Y285 HydrophobicContact CG-CD1 4.37Å; E155-Y285 WeakPolarHBondContact OE2-CA 3.49Å; L158-Y285 HydrophobicContact CD1-CD1 4.05Å; L158-Y285 HydrophobicContact CD1-CE1 3.37Å; A252-Y285 WeakPolarHBondContact CA-OH 3.24Å; A252-Y285 HydrophobicContact CB-CD2 4.38Å; A252-Y285 HydrophobicContact CB-CE2 3.79Å; A252-Y285 VanDerWaalsContact O-CE2 3.23Å; A252-Y285 WeakPolarHBondContact O-CE2 3.26Å; A252-Y285 PolarHBondContact O-OH 3.23Å; L279-Y285 HydrophobicContact CD1-CD2 4.26Å; L279-Y285 HydrophobicContact CD2-CD2 3.69Å; L279-Y285 HydrophobicContact CD2-CG 4Å; L279-Y285 HydrophobicContact CG-CD2 4.33Å; L283-Y285 HydrophobicContact CB-CD2 3.75Å; L283-Y285 HydrophobicContact CB-CE2 4.17Å; L283-Y285 PolarHBondContact O-N 2.82Å; Y285-L289 HydrophobicContact CD1-CD2 3.74Å; Y285-L289 HydrophobicContact CD2-CD2 4.38Å; Y285-L289 HydrophobicContact CE1-CD2 4.41Å; Y285-L289 HydrophobicContact CG-CD2 3.72Å; Y285-R290 PolarHBondContact O-NH1 3.24Å; Y285-R290 PolarHBondContact O-NH2 2.83Å
286	S	97.2	Very high	96.4	Very high	31 Å²	31	49.8 Å²	49.8	22%	0.217	29%	0.289	C	S	.	.			trans	-73.7	161.8	179	74.4	0	0	0	0	112.7	E155 H288 L289 R290	E155-S286 VanDerWaalsContact CD-OG 3.3Å; E155-S286 VanDerWaalsContact OE1-CB 3.23Å; E155-S286 WeakPolarHBondContact OE1-CB 3.42Å; E155-S286 PolarHBondContact OE1-OG 3.06Å; E155-S286 WeakPolarHBondContact OE2-CB 3.06Å; E155-S286 PolarHBondContact OE2-N 3.46Å; E155-S286 PolarHBondContact OE2-OG 3.05Å; S286-H288 PolarHBondContact O-N 3.35Å; S286-H288 PolarHBondContact OG-N 2.83Å; S286-L289 PolarHBondContact O-N 3.05Å; S286-L289 PolarHBondContact OG-N 3.39Å; S286-R290 PolarHBondContact O-N 3.18Å; S286-R290 PolarHBondContact O-NH1 3.31Å
287	N	97.2	Very high	96.6	Very high	107 Å²	107	47.6 Å²	47.6	57%	0.572	28%	0.275	S	S	*	.	H	α-helix	trans	-63.9	-27.9	171.4	-70.1	-19.1	0	0	0	112.1	L289 R290 D291	N287-L289 VanDerWaalsContact C-N 3.35Å; N287-L289 PolarHBondContact O-N 3.04Å; N287-R290 WeakPolarHBondContact O-CB 3.2Å; N287-R290 PolarHBondContact O-N 2.9Å; N287-R290 VanDerWaalsContact O-N 3.1Å; N287-R290 PolarHBondContact OD1-NH1 2.81Å; N287-D291 WeakPolarHBondContact O-CB 3.41Å; N287-D291 PolarHBondContact O-N 3.39Å
288	H	97.3	Very high	96.6	Very high	80 Å²	80	49.1 Å²	49.1	37%	0.37	28%	0.281	S	S	.	.	H	α-helix	trans	-61.6	-41.1	176.1	-60.7	-48.9	0	0	0	112.6	S286 F292 D314 F315	S286-H288 PolarHBondContact O-N 3.35Å; S286-H288 PolarHBondContact OG-N 2.83Å; H288-F292 WeakPolarHBondContact O-CB 3.44Å; H288-F292 PolarHBondContact O-N 3.46Å; H288-D314 HydrophobicContact CB-CB 4.43Å; H288-D314 IonicContact CE1-OD2 2.7Å; H288-D314 VanDerWaalsContact ND1-CB 3.25Å; H288-D314 WeakPolarHBondContact ND1-CB 3.23Å; H288-D314 IonicContact ND1-OD2 2.68Å; H288-F315 HydrophobicContact CB-CB 4.15Å; H288-F315 HydrophobicContact CB-CD2 4.23Å
289	L	97.8	Very high	96.5	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-65.7	-40.6	173.4	176.3	58.2	0	0	0	111.3	L158 I248 A252 L279 Y285 S286 N287 F292 L293 F315	L158-L289 HydrophobicContact CD1-CD2 3.96Å; I248-L289 HydrophobicContact CG2-CD1 3.84Å; A252-L289 HydrophobicContact CB-CD2 4.37Å; L279-L289 HydrophobicContact CD2-CD2 3.95Å; L279-L289 HydrophobicContact CD2-CG 4.11Å; Y285-L289 HydrophobicContact CD1-CD2 3.74Å; Y285-L289 HydrophobicContact CD2-CD2 4.38Å; Y285-L289 HydrophobicContact CE1-CD2 4.41Å; Y285-L289 HydrophobicContact CG-CD2 3.72Å; S286-L289 PolarHBondContact O-N 3.05Å; S286-L289 PolarHBondContact OG-N 3.39Å; N287-L289 VanDerWaalsContact C-N 3.35Å; N287-L289 PolarHBondContact O-N 3.04Å; L289-F292 PolarHBondContact O-N 3.33Å; L289-L293 HydrophobicContact CD1-CD1 4.27Å; L289-L293 HydrophobicContact CD1-CG 4.17Å; L289-L293 HydrophobicContact CG-CD1 4.27Å; L289-L293 WeakPolarHBondContact O-CG 3.42Å; L289-L293 PolarHBondContact O-N 3.18Å; L289-F315 HydrophobicContact CB-CD2 3.96Å; L289-F315 HydrophobicContact CB-CE2 3.73Å; L289-F315 HydrophobicContact CB-CZ 4.13Å; L289-F315 HydrophobicContact CD1-CD1 4.15Å; L289-F315 HydrophobicContact CD1-CE1 3.61Å; L289-F315 HydrophobicContact CD1-CE2 4.11Å; L289-F315 HydrophobicContact CD1-CZ 3.6Å; L289-F315 HydrophobicContact CG-CE2 4.38Å; L289-F315 HydrophobicContact CG-CZ 4.28Å
290	R	98	Very high	96.2	Very high	32 Å²	32	53.3 Å²	53.3	12%	0.121	29%	0.291	C	S	.	.	H	α-helix	trans	-60.4	-47.2	176.9	-61	-167.8	175.1	77.2	11.3	111.3	L279 S280 L283 Y285 S286 N287 F292 L293 N294	L279-R290 HydrophobicContact CB-CG 4.16Å; L279-R290 HydrophobicContact CD2-CG 4.04Å; L279-R290 PolarHBondContact O-NE 3.29Å; S280-R290 PolarHBondContact O-NE 2.87Å; S280-R290 PolarHBondContact O-NH2 3.11Å; L283-R290 PolarHBondContact O-NH2 3.2Å; Y285-R290 PolarHBondContact O-NH1 3.24Å; Y285-R290 PolarHBondContact O-NH2 2.83Å; S286-R290 PolarHBondContact O-N 3.18Å; S286-R290 PolarHBondContact O-NH1 3.31Å; N287-R290 WeakPolarHBondContact O-CB 3.2Å; N287-R290 PolarHBondContact O-N 2.9Å; N287-R290 VanDerWaalsContact O-N 3.1Å; N287-R290 PolarHBondContact OD1-NH1 2.81Å; R290-F292 VanDerWaalsContact C-N 3.34Å; R290-F292 PolarHBondContact O-N 3.09Å; R290-L293 PolarHBondContact O-N 2.85Å; R290-N294 WeakPolarHBondContact O-CB 3.25Å; R290-N294 PolarHBondContact O-N 3.42Å; R290-N294 PolarHBondContact O-ND2 2.95Å
291	D	97.4	Very high	96.1	Very high	86 Å²	86	51.7 Å²	51.7	46%	0.46	28%	0.279	S	S	.	.	H	α-helix	trans	-62.7	-42.5	178.5	-63	-23.7	0	0	0	110.8	N287 L293 N294 M295	N287-D291 WeakPolarHBondContact O-CB 3.41Å; N287-D291 PolarHBondContact O-N 3.39Å; D291-L293 PolarHBondContact O-N 3.2Å; D291-N294 PolarHBondContact O-N 2.85Å; D291-M295 VanDerWaalsContact O-CG 3.29Å; D291-M295 WeakPolarHBondContact O-CG 3.39Å; D291-M295 PolarHBondContact O-N 3.06Å
292	F	98.2	Very high	96	Very high	1 Å²	1	49.6 Å²	49.6	0%	0.004	28%	0.275	C	S	.	.	H	α-helix	trans	-58.7	-46.6	174.6	-174.4	-85.3	0	0	0	112.3	T162 V166 L244 H288 L289 R290 N294 M295 C296 L310 S313 F315 I316	T162-F292 HydrophobicContact CG2-CD1 4.12Å; T162-F292 HydrophobicContact CG2-CE1 3.36Å; T162-F292 HydrophobicContact CG2-CE2 3.89Å; T162-F292 HydrophobicContact CG2-CZ 3.22Å; V166-F292 HydrophobicContact CG2-CZ 3.98Å; L244-F292 HydrophobicContact CD2-CZ 4.36Å; H288-F292 WeakPolarHBondContact O-CB 3.44Å; H288-F292 PolarHBondContact O-N 3.46Å; L289-F292 PolarHBondContact O-N 3.33Å; R290-F292 VanDerWaalsContact C-N 3.34Å; R290-F292 PolarHBondContact O-N 3.09Å; F292-N294 VanDerWaalsContact C-N 3.34Å; F292-M295 WeakPolarHBondContact O-CB 3.36Å; F292-M295 PolarHBondContact O-N 2.88Å; F292-C296 PolarHBondContact O-N 2.83Å; F292-C296 PolarHBondContact O-SG 2.84Å; F292-C296 VanDerWaalsContact O-SG 3.4Å; F292-L310 HydrophobicContact CD2-CD2 4.25Å; F292-L310 HydrophobicContact CE2-CB 3.94Å; F292-L310 HydrophobicContact CE2-CD2 3.75Å; F292-L310 HydrophobicContact CE2-CG 4.27Å; F292-L310 HydrophobicContact CZ-CB 4.29Å; F292-L310 HydrophobicContact CZ-CD1 4.15Å; F292-L310 HydrophobicContact CZ-CD2 3.9Å; F292-L310 HydrophobicContact CZ-CG 4.32Å; F292-S313 WeakPolarHBondContact CD2-OG 3.48Å; F292-F315 HydrophobicContact CB-CB 3.89Å; F292-F315 HydrophobicContact CB-CD1 4.02Å; F292-F315 HydrophobicContact CB-CG 4.18Å; F292-F315 HydrophobicContact CD1-CD1 4.31Å; F292-F315 HydrophobicContact CD2-CB 4.1Å; F292-F315 HydrophobicContact CD2-CD1 4.04Å; F292-F315 HydrophobicContact CG-CB 4.26Å; F292-F315 AromaticContact CG-CD1 3.85Å; F292-F315 HydrophobicContact CG-CD1 3.85Å; F292-F315 HydrophobicContact CG-CG 4.44Å; F292-I316 HydrophobicContact CE2-CD1 3.89Å; F292-I316 HydrophobicContact CE2-CG1 4.12Å; F292-I316 HydrophobicContact CE2-CG2 4.49Å; F292-I316 HydrophobicContact CZ-CD1 4.48Å
293	L	98.2	Very high	95.9	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-63.8	-40.8	176.9	-71.4	173.5	0	0	0	111.6	G245 I248 Y249 L279 L289 R290 D291 M295 C296 L297	G245-L293 VanDerWaalsContact O-CD2 3.26Å; G245-L293 WeakPolarHBondContact O-CD2 3.45Å; I248-L293 HydrophobicContact CB-CD2 3.93Å; I248-L293 HydrophobicContact CG2-CD2 3.96Å; Y249-L293 HydrophobicContact CD2-CD1 4.42Å; L279-L293 HydrophobicContact CB-CD1 3.96Å; L279-L293 HydrophobicContact CD1-CD1 4.49Å; L279-L293 HydrophobicContact CD2-CD1 4.19Å; L279-L293 HydrophobicContact CG-CD1 4.48Å; L289-L293 HydrophobicContact CD1-CD1 4.27Å; L289-L293 HydrophobicContact CD1-CG 4.17Å; L289-L293 HydrophobicContact CG-CD1 4.27Å; L289-L293 WeakPolarHBondContact O-CG 3.42Å; L289-L293 PolarHBondContact O-N 3.18Å; R290-L293 PolarHBondContact O-N 2.85Å; D291-L293 PolarHBondContact O-N 3.2Å; L293-M295 VanDerWaalsContact C-N 3.27Å; L293-M295 PolarHBondContact O-N 2.88Å; L293-C296 PolarHBondContact O-N 2.92Å; L293-C296 VanDerWaalsContact O-N 3.11Å; L293-L297 HydrophobicContact CB-CD1 4.37Å; L293-L297 WeakPolarHBondContact O-CB 3.45Å; L293-L297 WeakPolarHBondContact O-CG 3.33Å; L293-L297 PolarHBondContact O-N 2.87Å
294	N	97.2	Very high	96	Very high	77 Å²	77	49.3 Å²	49.3	41%	0.412	27%	0.269	S	S	.	.	H	α-helix	trans	-65.3	-28.9	177.2	-68.7	-20.9	0	0	0	112.6	R290 D291 F292 I298	R290-N294 WeakPolarHBondContact O-CB 3.25Å; R290-N294 PolarHBondContact O-N 3.42Å; R290-N294 PolarHBondContact O-ND2 2.95Å; D291-N294 PolarHBondContact O-N 2.85Å; F292-N294 VanDerWaalsContact C-N 3.34Å; N294-I298 WeakPolarHBondContact O-CG1 3.48Å
295	M	97.2	Very high	96	Very high	55 Å²	55	45.3 Å²	45.3	27%	0.271	24%	0.244	S	C	.	.	H	α-helix	trans	-70.3	-34.2	171.9	-72	173.6	70.6	0	0	112.6	D291 F292 L293 A305 D309 L310	D291-M295 VanDerWaalsContact O-CG 3.29Å; D291-M295 WeakPolarHBondContact O-CG 3.39Å; D291-M295 PolarHBondContact O-N 3.06Å; F292-M295 WeakPolarHBondContact O-CB 3.36Å; F292-M295 PolarHBondContact O-N 2.88Å; L293-M295 VanDerWaalsContact C-N 3.27Å; L293-M295 PolarHBondContact O-N 2.88Å; M295-A305 HydrophobicContact CB-CB 3.88Å; M295-A305 HydrophobicContact CE-CB 3.95Å; M295-A305 WeakPolarHBondContact O-CB 3.38Å; M295-A305 PolarHBondContact O-N 2.95Å; M295-D309 HydrophobicContact CE-CB 3.84Å; M295-L310 HydrophobicContact CB-CD2 4.27Å; M295-L310 HydrophobicContact CE-CD2 4.36Å
296	C	97.8	Very high	95.8	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-81.6	-39.4	-179.4	-66.6	0	0	0	0	113	I241 F292 L293 I298 R304 L310	I241-C296 HydrophobicContact CG2-CB 4.06Å; F292-C296 PolarHBondContact O-N 2.83Å; F292-C296 PolarHBondContact O-SG 2.84Å; F292-C296 VanDerWaalsContact O-SG 3.4Å; L293-C296 PolarHBondContact O-N 2.92Å; L293-C296 VanDerWaalsContact O-N 3.11Å; C296-I298 VanDerWaalsContact C-N 3.31Å; C296-I298 PolarHBondContact O-N 2.8Å; C296-R304 VanDerWaalsContact O-CD 3.28Å; C296-R304 WeakPolarHBondContact O-CD 3.5Å; C296-R304 VanDerWaalsContact O-CG 3.31Å; C296-R304 WeakPolarHBondContact O-CG 3.33Å; C296-L310 VanDerWaalsContact SG-CD2 3.6Å
297	L	97.3	Very high	95.6	Very high	5 Å²	5	45.5 Å²	45.5	3%	0.026	24%	0.243	C	C	.	.			trans	-94.8	41.6	-168.6	-63.1	171.3	0	0	0	112.7	W242 L246 P276 P277 L293	W242-L297 HydrophobicContact CD2-CD2 4.39Å; W242-L297 HydrophobicContact CE3-CD2 4.42Å; L246-L297 HydrophobicContact CD2-CD2 3.67Å; L246-L297 HydrophobicContact CG-CD2 3.73Å; P276-L297 HydrophobicContact CB-CB 4.25Å; P276-L297 WeakPolarHBondContact CB-O 3.22Å; P276-L297 WeakPolarHBondContact CG-O 3.24Å; P277-L297 HydrophobicContact CG-CD1 3.96Å; P277-L297 WeakPolarHBondContact O-CD1 3.37Å; L293-L297 HydrophobicContact CB-CD1 4.37Å; L293-L297 WeakPolarHBondContact O-CB 3.45Å; L293-L297 WeakPolarHBondContact O-CG 3.33Å; L293-L297 PolarHBondContact O-N 2.87Å
298	I	95.8	Very high	95.3	Very high	48 Å²	48	43.1 Å²	43.1	25%	0.246	23%	0.231	C	C	.	.			trans	-93.9	125.2	174	-55.3	-178.4	0	0	0	108.8	N294 C296 E300 E303 R304	N294-I298 WeakPolarHBondContact O-CG1 3.48Å; C296-I298 VanDerWaalsContact C-N 3.31Å; C296-I298 PolarHBondContact O-N 2.8Å; I298-E300 HydrophobicContact CG2-CB 4.36Å; I298-E303 HydrophobicContact CG2-CB 3.85Å; I298-R304 HydrophobicContact CB-CB 4.12Å; I298-R304 HydrophobicContact CB-CG 4.42Å; I298-R304 PolarHBondContact O-NE 3.42Å; I298-R304 PolarHBondContact O-NH2 2.86Å; I298-R304 VanDerWaalsContact O-NH2 3.09Å
299	K	92.2	Very high	95.3	Very high	59 Å²	59	42.7 Å²	42.7	26%	0.257	23%	0.231	S	C	.	.	S	Bend	trans	-64.7	-44.3	179.7	-76.7	-169.8	174.4	177	0	112.1	P224 W242 V272 R274 V301 R304	P224-K299 HydrophobicContact CG-CG 4.29Å; W242-K299 HydrophobicContact CH2-CG 4.06Å; W242-K299 HydrophobicContact CZ3-CG 4.14Å; V272-K299 PolarHBondContact O-NZ 2.81Å; R274-K299 WeakPolarHBondContact O-CE 3.4Å; R274-K299 PolarHBondContact O-NZ 2.96Å; K299-V301 PolarHBondContact O-N 3.48Å; K299-R304 PolarHBondContact O-NH2 2.9Å
300	E	91.3	Very high	95.2	Very high	115 Å²	115	42.7 Å²	42.7	54%	0.537	23%	0.231	S	C	.	.	S	Bend	trans	-68.1	117.1	178.6	-174.3	49.8	-121.2	0	0	110.4	I298 G302 E303 R304	I298-E300 HydrophobicContact CG2-CB 4.36Å; E300-G302 VanDerWaalsContact C-N 3.28Å; E300-G302 PolarHBondContact O-N 2.8Å; E300-E303 HydrophobicContact CB-CB 4.3Å; E300-E303 HydrophobicContact CB-CG 4.28Å; E300-E303 HydrophobicContact CG-CB 4.42Å; E300-E303 HydrophobicContact CG-CG 4Å; E300-E303 PolarHBondContact O-N 2.81Å; E300-R304 PolarHBondContact O-N 3.3Å; E300-R304 VanDerWaalsContact O-N 3.1Å
301	V	91.2	Very high	95	Very high	18 Å²	18	41.7 Å²	41.7	11%	0.109	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-32.1	-168.5	-174.3	0	0	0	0	111.7	E225 Y235 K238 K299 E303	E225-V301 HydrophobicContact CB-CG2 3.9Å; E225-V301 HydrophobicContact CG-CG2 3.97Å; Y235-V301 HydrophobicContact CD1-CB 4.08Å; Y235-V301 HydrophobicContact CD1-CG1 3.51Å; Y235-V301 HydrophobicContact CD1-CG2 4.3Å; Y235-V301 HydrophobicContact CE1-CB 4.31Å; Y235-V301 HydrophobicContact CE1-CG1 4.17Å; Y235-V301 HydrophobicContact CG-CG1 4.34Å; K238-V301 HydrophobicContact CB-CG1 3.54Å; K238-V301 HydrophobicContact CG-CG1 3.74Å; K299-V301 PolarHBondContact O-N 3.48Å; V301-E303 VanDerWaalsContact C-N 3.3Å; V301-E303 PolarHBondContact O-N 3.14Å
302	G	90.9	Very high	94.8	Very high	71 Å²	71	40.4 Å²	40.4	73%	0.732	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-25.5	177.3	0	0	0	0	0	114.1	E300	E300-G302 VanDerWaalsContact C-N 3.28Å; E300-G302 PolarHBondContact O-N 2.8Å
303	E	94	Very high	94.7	Very high	145 Å²	145	41 Å²	41	68%	0.678	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.7	-24.1	-178.7	-65.5	-176.3	174.9	0	0	112.9	I298 E300 V301	I298-E303 HydrophobicContact CG2-CB 3.85Å; E300-E303 HydrophobicContact CB-CB 4.3Å; E300-E303 HydrophobicContact CB-CG 4.28Å; E300-E303 HydrophobicContact CG-CB 4.42Å; E300-E303 HydrophobicContact CG-CG 4Å; E300-E303 PolarHBondContact O-N 2.81Å; V301-E303 VanDerWaalsContact C-N 3.3Å; V301-E303 PolarHBondContact O-N 3.14Å
304	R	96	Very high	94.6	Very high	2 Å²	2	44.2 Å²	44.2	1%	0.008	25%	0.245	C	C	.	.	S	Bend	trans	-56.4	139.6	175	-165.2	-177.5	-57.7	154.8	6.8	110.2	E225 K238 I241 C296 I298 K299 E300	E225-R304 IonicContact OE1-CZ 3.19Å; E225-R304 IonicContact OE1-NH1 3.35Å; E225-R304 PolarHBondContact OE1-NH1 3.15Å; E225-R304 IonicContact OE1-NH2 2.79Å; E225-R304 IonicContact OE2-CZ 3.72Å; E225-R304 IonicContact OE2-NH1 2.9Å; E225-R304 PolarHBondContact OE2-NH1 2.63Å; E225-R304 IonicContact OE2-NH2 3.15Å; E225-R304 PolarHBondContact OE2-NH2 3.01Å; K238-R304 VanDerWaalsContact C-NH1 3.26Å; K238-R304 HydrophobicContact CD-CB 4.37Å; K238-R304 PolarHBondContact NZ-O 2.85Å; K238-R304 VanDerWaalsContact O-CD 3.3Å; K238-R304 WeakPolarHBondContact O-CD 3.4Å; K238-R304 PolarHBondContact O-NH1 3.35Å; I241-R304 HydrophobicContact CG2-CG 4.08Å; C296-R304 VanDerWaalsContact O-CD 3.28Å; C296-R304 WeakPolarHBondContact O-CD 3.5Å; C296-R304 VanDerWaalsContact O-CG 3.31Å; C296-R304 WeakPolarHBondContact O-CG 3.33Å; I298-R304 HydrophobicContact CB-CB 4.12Å; I298-R304 HydrophobicContact CB-CG 4.42Å; I298-R304 PolarHBondContact O-NE 3.42Å; I298-R304 PolarHBondContact O-NH2 2.86Å; I298-R304 VanDerWaalsContact O-NH2 3.09Å; K299-R304 PolarHBondContact O-NH2 2.9Å; E300-R304 PolarHBondContact O-N 3.3Å; E300-R304 VanDerWaalsContact O-N 3.1Å
305	A	95.8	Very high	94.6	Very high	6 Å²	6	40.6 Å²	40.6	5%	0.05	23%	0.225	C	C	.	.			trans	-58.4	156.4	179	0	0	0	0	0	113.2	K238 I241 M295 D309 L310	K238-A305 VanDerWaalsContact CD-O 3.26Å; K238-A305 WeakPolarHBondContact CD-O 3.39Å; K238-A305 PolarHBondContact NZ-O 2.92Å; I241-A305 WeakPolarHBondContact CD1-O 3.08Å; M295-A305 HydrophobicContact CB-CB 3.88Å; M295-A305 HydrophobicContact CE-CB 3.95Å; M295-A305 WeakPolarHBondContact O-CB 3.38Å; M295-A305 PolarHBondContact O-N 2.95Å; A305-D309 HydrophobicContact CB-CB 3.85Å; A305-L310 HydrophobicContact CB-CD2 3.89Å; A305-L310 HydrophobicContact CB-CG 4.32Å
306	D	93.3	Very high	94.5	Very high	47 Å²	47	38 Å²	38	25%	0.251	21%	0.213	S	C	.	.			trans	-100.8	177.8	164.2	82.4	10.2	0	0	0	112.3	K238 I241 N308 D309 L310	K238-D306 VanDerWaalsContact NZ-N 3.17Å; I241-D306 VanDerWaalsContact CD1-CA 3.47Å; D306-N308 VanDerWaalsContact C-N 3.27Å; D306-N308 PolarHBondContact O-N 2.68Å; D306-N308 VanDerWaalsContact OD1-CA 3.31Å; D306-N308 WeakPolarHBondContact OD1-CA 3.4Å; D306-N308 VanDerWaalsContact OD1-CB 3.23Å; D306-N308 WeakPolarHBondContact OD1-CB 2.97Å; D306-N308 PolarHBondContact OD1-N 2.91Å; D306-N308 PolarHBondContact OD2-ND2 2.79Å; D306-D309 PolarHBondContact N-OD2 2.68Å; D306-D309 WeakPolarHBondContact O-CB 3.34Å; D306-D309 PolarHBondContact O-N 2.92Å; D306-D309 PolarHBondContact OD1-N 3.46Å; D306-L310 WeakPolarHBondContact O-CG 3.37Å; D306-L310 PolarHBondContact O-N 2.85Å
307	Y	92.8	Very high	94.2	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.008	23%	0.234	C	C	.	.	H	α-helix	trans	-63.7	-30	179.9	-57.1	-50.3	0	0	0	113.7	L169 R173 F174 V237 I241 L310 L311	L169-Y307 HydrophobicContact CB-CD1 4.26Å; L169-Y307 HydrophobicContact CB-CE1 3.63Å; L169-Y307 HydrophobicContact CD1-CE1 4.01Å; L169-Y307 HydrophobicContact CG-CE1 4.38Å; R173-Y307 HydrophobicContact CB-CD2 4.07Å; R173-Y307 HydrophobicContact CB-CE2 3.61Å; R173-Y307 HydrophobicContact CG-CD2 4.23Å; R173-Y307 HydrophobicContact CG-CE2 3.93Å; F174-Y307 AromaticContact CE2-CD2 3.95Å; F174-Y307 HydrophobicContact CE2-CD2 3.95Å; V237-Y307 HydrophobicContact CG1-CD2 4.02Å; V237-Y307 HydrophobicContact CG1-CE2 3.47Å; V237-Y307 VanDerWaalsContact CG1-CE2 3.47Å; V237-Y307 HydrophobicContact CG2-CE2 4.49Å; I241-Y307 HydrophobicContact CD1-CD1 3.88Å; I241-Y307 HydrophobicContact CD1-CE1 3.93Å; I241-Y307 HydrophobicContact CG1-CD1 3.88Å; I241-Y307 HydrophobicContact CG1-CE1 3.55Å; Y307-L310 PolarHBondContact O-N 2.66Å; Y307-L311 WeakPolarHBondContact O-CB 2.91Å; Y307-L311 VanDerWaalsContact O-CG 3.27Å; Y307-L311 WeakPolarHBondContact O-CG 3.38Å; Y307-L311 PolarHBondContact O-N 2.82Å
308	N	92.8	Very high	93.6	Very high	57 Å²	57	47 Å²	47	31%	0.305	26%	0.258	S	S	.	.	H	α-helix	trans	-67.6	-45.4	176.2	-59.9	-69.4	0	0	0	110.1	D306 L310 L311 V312	D306-N308 VanDerWaalsContact C-N 3.27Å; D306-N308 PolarHBondContact O-N 2.68Å; D306-N308 VanDerWaalsContact OD1-CA 3.31Å; D306-N308 WeakPolarHBondContact OD1-CA 3.4Å; D306-N308 VanDerWaalsContact OD1-CB 3.23Å; D306-N308 WeakPolarHBondContact OD1-CB 2.97Å; D306-N308 PolarHBondContact OD1-N 2.91Å; D306-N308 PolarHBondContact OD2-ND2 2.79Å; N308-L310 VanDerWaalsContact C-N 3.3Å; N308-L310 PolarHBondContact O-N 2.84Å; N308-L311 PolarHBondContact O-N 3.06Å; N308-V312 WeakPolarHBondContact O-CG2 3.39Å; N308-V312 PolarHBondContact O-N 2.87Å
309	D	95.5	Very high	93.1	Very high	71 Å²	71	45.5 Å²	45.5	38%	0.38	25%	0.25	S	S	.	.	H	α-helix	trans	-56.9	-45.6	175.6	-59.7	-39.6	0	0	0	110.8	M295 A305 D306 V312 S313	M295-D309 HydrophobicContact CE-CB 3.84Å; A305-D309 HydrophobicContact CB-CB 3.85Å; D306-D309 PolarHBondContact N-OD2 2.68Å; D306-D309 WeakPolarHBondContact O-CB 3.34Å; D306-D309 PolarHBondContact O-N 2.92Å; D306-D309 PolarHBondContact OD1-N 3.46Å; D309-V312 WeakPolarHBondContact O-CG2 3.29Å; D309-V312 PolarHBondContact O-N 3.5Å; D309-S313 PolarHBondContact O-N 2.7Å
310	L	96.4	Very high	92.9	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-64.4	-45.3	178.6	-63.7	-176.2	0	0	0	112.3	V166 I241 L244 F292 M295 C296 A305 D306 Y307 N308 V312 S313 I316	V166-L310 HydrophobicContact CG1-CB 4.06Å; V166-L310 HydrophobicContact CG2-CB 4.45Å; V166-L310 HydrophobicContact CG2-CD1 4.2Å; I241-L310 HydrophobicContact CD1-CD1 4.33Å; I241-L310 HydrophobicContact CG1-CD1 4.14Å; I241-L310 HydrophobicContact CG2-CD1 4.13Å; L244-L310 HydrophobicContact CD2-CD1 4.03Å; F292-L310 HydrophobicContact CD2-CD2 4.25Å; F292-L310 HydrophobicContact CE2-CB 3.94Å; F292-L310 HydrophobicContact CE2-CD2 3.75Å; F292-L310 HydrophobicContact CE2-CG 4.27Å; F292-L310 HydrophobicContact CZ-CB 4.29Å; F292-L310 HydrophobicContact CZ-CD1 4.15Å; F292-L310 HydrophobicContact CZ-CD2 3.9Å; F292-L310 HydrophobicContact CZ-CG 4.32Å; M295-L310 HydrophobicContact CB-CD2 4.27Å; M295-L310 HydrophobicContact CE-CD2 4.36Å; C296-L310 VanDerWaalsContact SG-CD2 3.6Å; A305-L310 HydrophobicContact CB-CD2 3.89Å; A305-L310 HydrophobicContact CB-CG 4.32Å; D306-L310 WeakPolarHBondContact O-CG 3.37Å; D306-L310 PolarHBondContact O-N 2.85Å; Y307-L310 PolarHBondContact O-N 2.66Å; N308-L310 VanDerWaalsContact C-N 3.3Å; N308-L310 PolarHBondContact O-N 2.84Å; L310-V312 PolarHBondContact O-N 3.31Å; L310-S313 VanDerWaalsContact O-CB 3.26Å; L310-S313 WeakPolarHBondContact O-CB 3.24Å; L310-S313 PolarHBondContact O-N 3.11Å; L310-S313 VanDerWaalsContact O-N 3.12Å; L310-S313 PolarHBondContact O-OG 2.69Å; L310-I316 VanDerWaalsContact O-CD1 3.32Å; L310-I316 WeakPolarHBondContact O-CD1 3.43Å; L310-I316 WeakPolarHBondContact O-CG1 3.49Å
311	L	93.6	Very high	92.7	Very high	10 Å²	10	42.6 Å²	42.6	5%	0.052	24%	0.242	C	C	.	.	H	α-helix	trans	-64.4	-24.3	-178.5	-77.2	172.3	0	0	0	113.6	I6 V166 Y170 Y307 N308 I316	I6-L311 HydrophobicContact CD1-CD1 4.25Å; I6-L311 HydrophobicContact CG2-CD1 4.13Å; V166-L311 HydrophobicContact CG1-CD2 3.72Å; V166-L311 HydrophobicContact CG1-CG 3.77Å; Y170-L311 HydrophobicContact CD2-CD1 3.42Å; Y170-L311 VanDerWaalsContact CD2-CD1 3.42Å; Y170-L311 HydrophobicContact CE2-CD1 3.88Å; Y170-L311 HydrophobicContact CG-CD1 3.92Å; Y307-L311 WeakPolarHBondContact O-CB 2.91Å; Y307-L311 VanDerWaalsContact O-CG 3.27Å; Y307-L311 WeakPolarHBondContact O-CG 3.38Å; Y307-L311 PolarHBondContact O-N 2.82Å; N308-L311 PolarHBondContact O-N 3.06Å; L311-I316 HydrophobicContact CD2-CD1 4.46Å
312	V	93.8	Very high	92.5	Very high	60 Å²	60	45 Å²	45	36%	0.364	25%	0.254	S	S	.	.	H	α-helix	trans	-97.8	-3.1	176.8	-53.7	0	0	0	0	113.8	M1 N308 D309 L310	M1-V312 HydrophobicContact CE-CB 4.38Å; M1-V312 HydrophobicContact CE-CG1 4.06Å; N308-V312 WeakPolarHBondContact O-CG2 3.39Å; N308-V312 PolarHBondContact O-N 2.87Å; D309-V312 WeakPolarHBondContact O-CG2 3.29Å; D309-V312 PolarHBondContact O-N 3.5Å; L310-V312 PolarHBondContact O-N 3.31Å
313	S	96.1	Very high	92.3	Very high	12 Å²	12	44.5 Å²	44.5	8%	0.084	24%	0.24	C	C	.	.	S	Bend	trans	-60.7	148	177.6	70.1	0	0	0	0	112.5	F292 D309 L310 F315 I316 R317	F292-S313 WeakPolarHBondContact CD2-OG 3.48Å; D309-S313 PolarHBondContact O-N 2.7Å; L310-S313 VanDerWaalsContact O-CB 3.26Å; L310-S313 WeakPolarHBondContact O-CB 3.24Å; L310-S313 PolarHBondContact O-N 3.11Å; L310-S313 VanDerWaalsContact O-N 3.12Å; L310-S313 PolarHBondContact O-OG 2.69Å; S313-F315 PolarHBondContact O-N 3.02Å; S313-I316 PolarHBondContact O-N 3.13Å; S313-I316 WeakPolarHBondContact OG-CG1 3.34Å; S313-R317 WeakPolarHBondContact O-CB 3.5Å; S313-R317 VanDerWaalsContact O-CG 3.26Å; S313-R317 WeakPolarHBondContact O-CG 3.49Å; S313-R317 PolarHBondContact O-N 3.12Å
314	D	96.1	Very high	92.2	Very high	69 Å²	69	39.7 Å²	39.7	37%	0.369	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-24.5	-179.2	-73	-14.6	0	0	0	113.5	H288 R317	H288-D314 HydrophobicContact CB-CB 4.43Å; H288-D314 IonicContact CE1-OD2 2.7Å; H288-D314 VanDerWaalsContact ND1-CB 3.25Å; H288-D314 WeakPolarHBondContact ND1-CB 3.23Å; H288-D314 IonicContact ND1-OD2 2.68Å; D314-R317 IonicContact OD1-CZ 2.81Å; D314-R317 IonicContact OD1-NE 3.14Å; D314-R317 PolarHBondContact OD1-NE 2.56Å; D314-R317 VanDerWaalsContact OD1-NE 3.14Å; D314-R317 IonicContact OD1-NH1 2.83Å; D314-R317 PolarHBondContact OD1-NH1 2.92Å; D314-R317 IonicContact OD1-NH2 3.27Å; D314-R317 PolarHBondContact OD1-NH2 2.84Å
315	F	96.7	Very high	92	Very high	1 Å²	1	42 Å²	42	0%	0.004	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-49.2	178.6	-172.2	-126.5	0	0	0	112.5	E155 L158 K159 T162 H288 L289 F292 S313	E155-F315 HydrophobicContact CG-CE2 3.87Å; E155-F315 HydrophobicContact CG-CZ 4.45Å; L158-F315 HydrophobicContact CB-CZ 4.48Å; K159-F315 HydrophobicContact CB-CE1 4.31Å; K159-F315 HydrophobicContact CB-CE2 4Å; K159-F315 HydrophobicContact CB-CZ 3.71Å; K159-F315 WeakPolarHBondContact CD-O 3.4Å; K159-F315 WeakPolarHBondContact CE-O 3.1Å; K159-F315 HydrophobicContact CG-CE2 4.26Å; K159-F315 HydrophobicContact CG-CZ 4.2Å; K159-F315 WeakPolarHBondContact CG-O 3.5Å; K159-F315 PolarHBondContact NZ-O 3.47Å; T162-F315 HydrophobicContact CG2-CD1 4.24Å; T162-F315 HydrophobicContact CG2-CE1 4.11Å; H288-F315 HydrophobicContact CB-CB 4.15Å; H288-F315 HydrophobicContact CB-CD2 4.23Å; L289-F315 HydrophobicContact CB-CD2 3.96Å; L289-F315 HydrophobicContact CB-CE2 3.73Å; L289-F315 HydrophobicContact CB-CZ 4.13Å; L289-F315 HydrophobicContact CD1-CD1 4.15Å; L289-F315 HydrophobicContact CD1-CE1 3.61Å; L289-F315 HydrophobicContact CD1-CE2 4.11Å; L289-F315 HydrophobicContact CD1-CZ 3.6Å; L289-F315 HydrophobicContact CG-CE2 4.38Å; L289-F315 HydrophobicContact CG-CZ 4.28Å; F292-F315 HydrophobicContact CB-CB 3.89Å; F292-F315 HydrophobicContact CB-CD1 4.02Å; F292-F315 HydrophobicContact CB-CG 4.18Å; F292-F315 HydrophobicContact CD1-CD1 4.31Å; F292-F315 HydrophobicContact CD2-CB 4.1Å; F292-F315 HydrophobicContact CD2-CD1 4.04Å; F292-F315 HydrophobicContact CG-CB 4.26Å; F292-F315 AromaticContact CG-CD1 3.85Å; F292-F315 HydrophobicContact CG-CD1 3.85Å; F292-F315 HydrophobicContact CG-CG 4.44Å; S313-F315 PolarHBondContact O-N 3.02Å
316	I	95.2	Very high	91.9	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.005	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.8	-7.1	-172.9	64.6	169.7	0	0	0	115.3	K159 T162 F163 V166 F292 L310 L311 S313 S318 V319	K159-I316 HydrophobicContact CG-CG2 4.3Å; T162-I316 HydrophobicContact CG2-CG2 3.81Å; F163-I316 HydrophobicContact CB-CB 4.28Å; F163-I316 HydrophobicContact CB-CG2 4.3Å; F163-I316 HydrophobicContact CD2-CB 4.35Å; V166-I316 HydrophobicContact CB-CD1 4.03Å; V166-I316 HydrophobicContact CG1-CD1 4.07Å; V166-I316 HydrophobicContact CG2-CD1 4Å; F292-I316 HydrophobicContact CE2-CD1 3.89Å; F292-I316 HydrophobicContact CE2-CG1 4.12Å; F292-I316 HydrophobicContact CE2-CG2 4.49Å; F292-I316 HydrophobicContact CZ-CD1 4.48Å; L310-I316 VanDerWaalsContact O-CD1 3.32Å; L310-I316 WeakPolarHBondContact O-CD1 3.43Å; L310-I316 WeakPolarHBondContact O-CG1 3.49Å; L311-I316 HydrophobicContact CD2-CD1 4.46Å; S313-I316 PolarHBondContact O-N 3.13Å; S313-I316 WeakPolarHBondContact OG-CG1 3.34Å; I316-S318 PolarHBondContact O-N 3Å; I316-V319 HydrophobicContact CB-CG2 4.26Å; I316-V319 WeakPolarHBondContact O-CG2 3.43Å; I316-V319 PolarHBondContact O-N 3.34Å
317	R	91.4	Very high	91.9	Very high	119 Å²	119	46.1 Å²	46.1	45%	0.449	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-16.4	-177.2	70.2	179.9	-170.9	-179.7	-4	115.2	M1 R9 S313 D314	M1-R317 HydrophobicContact CE-CB 4.22Å; R9-R317 PolarHBondContact NH1-O 3.2Å; R9-R317 PolarHBondContact NH2-O 3.21Å; S313-R317 WeakPolarHBondContact O-CB 3.5Å; S313-R317 VanDerWaalsContact O-CG 3.26Å; S313-R317 WeakPolarHBondContact O-CG 3.49Å; S313-R317 PolarHBondContact O-N 3.12Å; D314-R317 IonicContact OD1-CZ 2.81Å; D314-R317 IonicContact OD1-NE 3.14Å; D314-R317 PolarHBondContact OD1-NE 2.56Å; D314-R317 VanDerWaalsContact OD1-NE 3.14Å; D314-R317 IonicContact OD1-NH1 2.83Å; D314-R317 PolarHBondContact OD1-NH1 2.92Å; D314-R317 IonicContact OD1-NH2 3.27Å; D314-R317 PolarHBondContact OD1-NH2 2.84Å
318	S	85.8	Confident	92.1	Very high	75 Å²	75	46 Å²	46	52%	0.524	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.4	25.4	-175.8	67.7	0	0	0	0	112.7	I316 D320	I316-S318 PolarHBondContact O-N 3Å; S318-D320 PolarHBondContact O-N 3.32Å
319	V	85.1	Confident	92.3	Very high	15 Å²	15	44.4 Å²	44.4	9%	0.091	24%	0.243	C	C	.	.			trans	-69.4	118.7	179.8	170.4	0	0	0	0	110.8	K159 F163 I316 V321 Y324	K159-V319 HydrophobicContact CD-CG2 3.83Å; K159-V319 HydrophobicContact CG-CG2 3.58Å; F163-V319 HydrophobicContact CB-CB 4.18Å; F163-V319 HydrophobicContact CB-CG1 3.94Å; F163-V319 HydrophobicContact CB-CG2 3.98Å; F163-V319 HydrophobicContact CD1-CB 4.46Å; F163-V319 HydrophobicContact CD1-CG1 3.86Å; F163-V319 HydrophobicContact CD2-CB 3.89Å; F163-V319 HydrophobicContact CD2-CG1 4.19Å; F163-V319 HydrophobicContact CD2-CG2 4.27Å; F163-V319 HydrophobicContact CE1-CG1 4.45Å; F163-V319 HydrophobicContact CE2-CB 4.43Å; F163-V319 HydrophobicContact CG-CB 3.9Å; F163-V319 HydrophobicContact CG-CG1 3.71Å; F163-V319 HydrophobicContact CG-CG2 4.22Å; I316-V319 HydrophobicContact CB-CG2 4.26Å; I316-V319 WeakPolarHBondContact O-CG2 3.43Å; I316-V319 PolarHBondContact O-N 3.34Å; V319-V321 HydrophobicContact CG1-CG2 4.2Å; V319-Y324 HydrophobicContact CB-CD2 4.25Å; V319-Y324 HydrophobicContact CB-CE2 4.27Å; V319-Y324 HydrophobicContact CG1-CD2 3.66Å; V319-Y324 HydrophobicContact CG1-CE2 4.19Å; V319-Y324 HydrophobicContact CG1-CG 4.45Å; V319-Y324 HydrophobicContact CG2-CD2 4.42Å; V319-Y324 HydrophobicContact CG2-CE2 4.21Å
320	D	88.1	Confident	92.3	Very high	88 Å²	88	47.4 Å²	47.4	47%	0.471	26%	0.255	S	S	.	.			trans	-91.8	95.7	162.8	176.2	2	0	0	0	109	S318 N322 S323 Y324	S318-D320 PolarHBondContact O-N 3.32Å; D320-N322 PolarHBondContact O-N 2.82Å; D320-N322 VanDerWaalsContact O-N 3.11Å; D320-N322 PolarHBondContact OD1-N 3.22Å; D320-S323 PolarHBondContact O-N 2.83Å; D320-S323 VanDerWaalsContact O-N 3.12Å; D320-Y324 WeakPolarHBondContact O-CD2 3.08Å; D320-Y324 PolarHBondContact O-N 3.43Å
321	V	85.9	Confident	92.3	Very high	25 Å²	25	48 Å²	48	15%	0.152	26%	0.257	C	S	.	.	H	α-helix	trans	-50.2	-39.8	-175.6	178.2	0	0	0	0	111.8	L13 F114 F163 V319 Y324 M325	L13-V321 HydrophobicContact CD2-CG1 4.39Å; F114-V321 HydrophobicContact CE1-CG1 4.25Å; F114-V321 HydrophobicContact CZ-CG1 4Å; F114-V321 HydrophobicContact CZ-CG2 4.11Å; F163-V321 HydrophobicContact CD1-CG2 3.91Å; F163-V321 HydrophobicContact CE1-CG2 3.43Å; F163-V321 VanDerWaalsContact CE1-CG2 3.43Å; F163-V321 HydrophobicContact CZ-CG2 4.23Å; V319-V321 HydrophobicContact CG1-CG2 4.2Å; V321-Y324 PolarHBondContact O-N 3.17Å; V321-M325 WeakPolarHBondContact O-CB 3.41Å; V321-M325 PolarHBondContact O-N 2.87Å
322	N	86.6	Confident	92.5	Very high	69 Å²	69	47.5 Å²	47.5	37%	0.369	26%	0.255	S	S	.	.	H	α-helix	trans	-68	-46.6	-177.5	-68.9	-36.8	0	0	0	111.6	D320 Y324 M325 I326	D320-N322 PolarHBondContact O-N 2.82Å; D320-N322 VanDerWaalsContact O-N 3.11Å; D320-N322 PolarHBondContact OD1-N 3.22Å; N322-Y324 VanDerWaalsContact C-N 3.35Å; N322-M325 PolarHBondContact O-N 3.08Å; N322-I326 WeakPolarHBondContact O-CG1 3.3Å; N322-I326 PolarHBondContact O-N 2.73Å
323	S	88.5	Confident	92.6	Very high	60 Å²	60	47 Å²	47	42%	0.42	26%	0.261	S	S	.	.	H	α-helix	trans	-62.9	-43.6	176.1	-176.7	0	0	0	0	111.4	D320 I326 T327	D320-S323 PolarHBondContact O-N 2.83Å; D320-S323 VanDerWaalsContact O-N 3.12Å; S323-I326 PolarHBondContact O-N 2.71Å; S323-T327 PolarHBondContact O-N 3.49Å
324	Y	90.2	Very high	92.6	Very high	45 Å²	45	53.1 Å²	53.1	18%	0.176	29%	0.287	C	S	.	.	H	α-helix	trans	-70.3	-34.9	-178.2	-78.4	-67.3	0	0	0	112.4	N156 K159 H160 V319 D320 V321 N322 I326 T327 T328	N156-Y324 HydrophobicContact CB-CD1 3.91Å; N156-Y324 HydrophobicContact CB-CE1 3.65Å; N156-Y324 VanDerWaalsContact O-CD1 3.27Å; N156-Y324 WeakPolarHBondContact O-CD1 3.38Å; K159-Y324 HydrophobicContact CD-CE1 4.19Å; K159-Y324 HydrophobicContact CD-CE2 4.39Å; H160-Y324 HydrophobicContact CB-CG 4.48Å; V319-Y324 HydrophobicContact CB-CD2 4.25Å; V319-Y324 HydrophobicContact CB-CE2 4.27Å; V319-Y324 HydrophobicContact CG1-CD2 3.66Å; V319-Y324 HydrophobicContact CG1-CE2 4.19Å; V319-Y324 HydrophobicContact CG1-CG 4.45Å; V319-Y324 HydrophobicContact CG2-CD2 4.42Å; V319-Y324 HydrophobicContact CG2-CE2 4.21Å; D320-Y324 WeakPolarHBondContact O-CD2 3.08Å; D320-Y324 PolarHBondContact O-N 3.43Å; V321-Y324 PolarHBondContact O-N 3.17Å; N322-Y324 VanDerWaalsContact C-N 3.35Å; Y324-I326 PolarHBondContact O-N 3.21Å; Y324-T327 PolarHBondContact O-N 3.12Å; Y324-T327 PolarHBondContact O-OG1 2.79Å; Y324-T328 VanDerWaalsContact O-CB 3.28Å; Y324-T328 WeakPolarHBondContact O-CB 3.3Å; Y324-T328 PolarHBondContact O-N 2.79Å; Y324-T328 PolarHBondContact O-OG1 2.9Å
325	M	91.9	Very high	92.5	Very high	50 Å²	50	51.1 Å²	51.1	25%	0.246	27%	0.274	C	S	.	.	H	α-helix	trans	-59.2	-43.2	173.3	-180	171.9	50	0	0	111.8	S193 Q195 V321 N322 T328 A329	S193-M325 WeakPolarHBondContact O-CG 3.18Å; Q195-M325 HydrophobicContact CG-SD 4.18Å; V321-M325 WeakPolarHBondContact O-CB 3.41Å; V321-M325 PolarHBondContact O-N 2.87Å; N322-M325 PolarHBondContact O-N 3.08Å; M325-T328 PolarHBondContact O-N 2.72Å; M325-A329 WeakPolarHBondContact O-CB 3.37Å; M325-A329 PolarHBondContact O-N 3.25Å
326	I	93.5	Very high	92.3	Very high	105 Å²	105	54 Å²	54	54%	0.538	29%	0.288	S	S	.	.	H	α-helix	trans	-60.8	-49.3	175.6	-64.9	166.6	0	0	0	110.9	N322 S323 Y324 T328 A329 Q330	N322-I326 WeakPolarHBondContact O-CG1 3.3Å; N322-I326 PolarHBondContact O-N 2.73Å; S323-I326 PolarHBondContact O-N 2.71Å; Y324-I326 PolarHBondContact O-N 3.21Å; I326-T328 VanDerWaalsContact C-N 3.27Å; I326-T328 PolarHBondContact O-N 3.43Å; I326-A329 WeakPolarHBondContact O-CB 3.5Å; I326-A329 PolarHBondContact O-N 3.22Å; I326-Q330 WeakPolarHBondContact O-CG 3.34Å; I326-Q330 PolarHBondContact O-N 3.11Å
327	T	93.9	Very high	92.1	Very high	35 Å²	35	56.6 Å²	56.6	22%	0.215	30%	0.303	C	S	.	.	H	α-helix	trans	-67	-31.2	-179.8	64	0	0	0	0	112.7	N156 S323 Y324 F331	N156-T327 WeakPolarHBondContact ND2-CB 3.38Å; N156-T327 PolarHBondContact ND2-OG1 3.19Å; S323-T327 PolarHBondContact O-N 3.49Å; Y324-T327 PolarHBondContact O-N 3.12Å; Y324-T327 PolarHBondContact O-OG1 2.79Å; T327-F331 PolarHBondContact O-N 3.27Å; T327-F331 VanDerWaalsContact O-N 3.12Å
328	T	96.4	Very high	92.1	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-68.4	-45.9	174.1	-59.3	0	0	0	0	110.4	V157 H160 I196 Y324 M325 I326 Q330 F331 L332	V157-T328 HydrophobicContact CG1-CG2 4.21Å; H160-T328 PolarHBondContact ND1-OG1 3.09Å; I196-T328 HydrophobicContact CD1-CG2 4.1Å; Y324-T328 VanDerWaalsContact O-CB 3.28Å; Y324-T328 WeakPolarHBondContact O-CB 3.3Å; Y324-T328 PolarHBondContact O-N 2.79Å; Y324-T328 PolarHBondContact O-OG1 2.9Å; M325-T328 PolarHBondContact O-N 2.72Å; I326-T328 VanDerWaalsContact C-N 3.27Å; I326-T328 PolarHBondContact O-N 3.43Å; T328-Q330 VanDerWaalsContact C-N 3.32Å; T328-Q330 PolarHBondContact O-N 3.48Å; T328-F331 PolarHBondContact O-N 3.3Å; T328-F331 VanDerWaalsContact O-N 3.17Å; T328-L332 HydrophobicContact CG2-CD1 3.8Å; T328-L332 HydrophobicContact CG2-CG 4.18Å; T328-L332 WeakPolarHBondContact O-CB 3.46Å; T328-L332 VanDerWaalsContact O-CG 3.26Å; T328-L332 WeakPolarHBondContact O-CG 3.44Å; T328-L332 PolarHBondContact O-N 3.15Å
329	A	97	Very high	92.5	Very high	23 Å²	23	52.1 Å²	52.1	19%	0.19	28%	0.282	C	S	.	.	H	α-helix	trans	-57.7	-44.4	175.5	0	0	0	0	0	111.8	K192 M325 I326 F331 L332 G333	K192-A329 WeakPolarHBondContact O-CB 3.33Å; M325-A329 WeakPolarHBondContact O-CB 3.37Å; M325-A329 PolarHBondContact O-N 3.25Å; I326-A329 WeakPolarHBondContact O-CB 3.5Å; I326-A329 PolarHBondContact O-N 3.22Å; A329-F331 VanDerWaalsContact C-N 3.35Å; A329-F331 PolarHBondContact O-N 3.2Å; A329-L332 PolarHBondContact O-N 2.86Å; A329-G333 PolarHBondContact O-N 2.74Å
330	Q	96.4	Very high	92.9	Very high	134 Å²	134	54.3 Å²	54.3	63%	0.626	29%	0.293	S	S	*	.	H	α-helix	trans	-60.5	-41.7	176	-72.3	172.6	-15.1	0	0	112.7	I326 T328	I326-Q330 WeakPolarHBondContact O-CG 3.34Å; I326-Q330 PolarHBondContact O-N 3.11Å; T328-Q330 VanDerWaalsContact C-N 3.32Å; T328-Q330 PolarHBondContact O-N 3.48Å
331	F	97.1	Very high	93.2	Very high	11 Å²	11	52.2 Å²	52.2	5%	0.048	28%	0.282	C	S	.	.	H	α-helix	trans	-67.7	-47.9	176.4	177.1	-105.1	0	0	0	111.8	L142 V146 I153 P154 V157 T327 T328 A329 G333 K334 Y335	L142-F331 HydrophobicContact CD1-CE1 4.31Å; L142-F331 HydrophobicContact CD2-CE1 4.2Å; V146-F331 HydrophobicContact CG2-CE1 4.23Å; V146-F331 HydrophobicContact CG2-CZ 3.68Å; I153-F331 HydrophobicContact CB-CZ 4.35Å; I153-F331 HydrophobicContact CG1-CE1 4.31Å; I153-F331 HydrophobicContact CG1-CZ 4.13Å; I153-F331 HydrophobicContact CG2-CE1 4.07Å; I153-F331 HydrophobicContact CG2-CZ 4.27Å; P154-F331 VanDerWaalsContact CD-CD2 3.5Å; P154-F331 HydrophobicContact CG-CD2 3.76Å; P154-F331 HydrophobicContact CG-CE2 3.9Å; P154-F331 HydrophobicContact CG-CG 4.47Å; V157-F331 HydrophobicContact CG1-CD1 4.01Å; V157-F331 HydrophobicContact CG1-CE1 4.45Å; V157-F331 HydrophobicContact CG2-CB 3.85Å; V157-F331 HydrophobicContact CG2-CD1 4.15Å; V157-F331 HydrophobicContact CG2-CG 4.02Å; T327-F331 PolarHBondContact O-N 3.27Å; T327-F331 VanDerWaalsContact O-N 3.12Å; T328-F331 PolarHBondContact O-N 3.3Å; T328-F331 VanDerWaalsContact O-N 3.17Å; A329-F331 VanDerWaalsContact C-N 3.35Å; A329-F331 PolarHBondContact O-N 3.2Å; F331-G333 VanDerWaalsContact C-N 3.29Å; F331-G333 PolarHBondContact O-N 2.91Å; F331-K334 WeakPolarHBondContact O-CB 3.46Å; F331-K334 PolarHBondContact O-N 2.94Å; F331-Y335 HydrophobicContact CD1-CE2 4.35Å; F331-Y335 HydrophobicContact CD2-CE2 4.02Å; F331-Y335 HydrophobicContact CE1-CD2 4.4Å; F331-Y335 AromaticContact CE1-CE2 3.91Å; F331-Y335 HydrophobicContact CE1-CE2 3.91Å; F331-Y335 AromaticContact CE2-CE2 3.53Å; F331-Y335 HydrophobicContact CE2-CE2 3.53Å; F331-Y335 HydrophobicContact CG-CE2 4.41Å; F331-Y335 HydrophobicContact CZ-CD2 4.38Å; F331-Y335 AromaticContact CZ-CE2 3.48Å; F331-Y335 HydrophobicContact CZ-CE2 3.48Å; F331-Y335 VanDerWaalsContact CZ-CE2 3.48Å; F331-Y335 WeakPolarHBondContact O-CD2 2.94Å
332	L	97.2	Very high	93.7	Very high	1 Å²	1	54 Å²	54	1%	0.005	29%	0.291	C	S	.	.	H	α-helix	trans	-61	-36.7	179.7	-68.9	174.9	0	0	0	112.2	L142 A190 N191 T328 A329 K334 Y335 I336	L142-L332 HydrophobicContact CD1-CD2 3.92Å; L142-L332 HydrophobicContact CD2-CD2 3.58Å; L142-L332 HydrophobicContact CG-CD2 4.38Å; A190-L332 HydrophobicContact CB-CD1 3.85Å; A190-L332 HydrophobicContact CB-CD2 4.21Å; N191-L332 WeakPolarHBondContact O-CD1 3.19Å; T328-L332 HydrophobicContact CG2-CD1 3.8Å; T328-L332 HydrophobicContact CG2-CG 4.18Å; T328-L332 WeakPolarHBondContact O-CB 3.46Å; T328-L332 VanDerWaalsContact O-CG 3.26Å; T328-L332 WeakPolarHBondContact O-CG 3.44Å; T328-L332 PolarHBondContact O-N 3.15Å; A329-L332 PolarHBondContact O-N 2.86Å; L332-K334 PolarHBondContact O-N 2.89Å; L332-Y335 PolarHBondContact O-N 2.97Å; L332-I336 HydrophobicContact CB-CD1 3.98Å; L332-I336 HydrophobicContact CD2-CD1 4.28Å; L332-I336 WeakPolarHBondContact O-CG1 3.37Å; L332-I336 PolarHBondContact O-N 3.13Å; L332-I336 VanDerWaalsContact O-N 3.08Å
333	G	95.9	Very high	94.2	Very high	49 Å²	49	52.9 Å²	52.9	51%	0.505	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-12.6	177.7	0	0	0	0	0	115.2	A329 F331	A329-G333 PolarHBondContact O-N 2.74Å; F331-G333 VanDerWaalsContact C-N 3.29Å; F331-G333 PolarHBondContact O-N 2.91Å
334	K	95.1	Very high	94.7	Very high	141 Å²	141	52.4 Å²	52.4	61%	0.613	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-21.8	170.7	-61.3	-178.9	178.9	-175.5	0	113.3	F331 L332	F331-K334 WeakPolarHBondContact O-CB 3.46Å; F331-K334 PolarHBondContact O-N 2.94Å; L332-K334 PolarHBondContact O-N 2.89Å
335	Y	95.4	Very high	95.1	Very high	27 Å²	27	53 Å²	53	11%	0.106	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.4	-8	-169.7	-51.1	-79.4	0	0	0	114	L142 K145 V146 V149 E151 F331 L332	L142-Y335 HydrophobicContact CD1-CD2 3.73Å; L142-Y335 HydrophobicContact CD1-CE2 4.48Å; L142-Y335 HydrophobicContact CD1-CG 4Å; K145-Y335 HydrophobicContact CB-CD1 3.87Å; K145-Y335 HydrophobicContact CB-CG 4.4Å; K145-Y335 WeakPolarHBondContact CD-O 3.33Å; K145-Y335 PolarHBondContact NZ-O 3.14Å; V146-Y335 HydrophobicContact CB-CE1 4.48Å; V146-Y335 HydrophobicContact CG2-CD1 4.42Å; V146-Y335 HydrophobicContact CG2-CD2 4.33Å; V146-Y335 HydrophobicContact CG2-CE1 3.92Å; V146-Y335 HydrophobicContact CG2-CE2 3.81Å; V149-Y335 HydrophobicContact CG2-CE1 4.08Å; E151-Y335 PolarHBondContact OE2-OH 3.46Å; F331-Y335 HydrophobicContact CD1-CE2 4.35Å; F331-Y335 HydrophobicContact CD2-CE2 4.02Å; F331-Y335 HydrophobicContact CE1-CD2 4.4Å; F331-Y335 AromaticContact CE1-CE2 3.91Å; F331-Y335 HydrophobicContact CE1-CE2 3.91Å; F331-Y335 AromaticContact CE2-CE2 3.53Å; F331-Y335 HydrophobicContact CE2-CE2 3.53Å; F331-Y335 HydrophobicContact CG-CE2 4.41Å; F331-Y335 HydrophobicContact CZ-CD2 4.38Å; F331-Y335 AromaticContact CZ-CE2 3.48Å; F331-Y335 HydrophobicContact CZ-CE2 3.48Å; F331-Y335 VanDerWaalsContact CZ-CE2 3.48Å; F331-Y335 WeakPolarHBondContact O-CD2 2.94Å; L332-Y335 PolarHBondContact O-N 2.97Å
336	I	91.1	Very high	95.3	Very high	60 Å²	60	53.3 Å²	53.3	31%	0.308	29%	0.287	S	S	.	.			trans	-129.4	0	-179.6	-41.2	175.9	0	0	0	110.4	D136 I137 K192 L332	D136-I336 HydrophobicContact CB-CD1 3.85Å; D136-I336 HydrophobicContact CB-CG2 3.62Å; I137-I336 HydrophobicContact CB-CD1 4Å; I137-I336 HydrophobicContact CB-CG1 4.32Å; I137-I336 HydrophobicContact CD1-CG1 4.26Å; I137-I336 HydrophobicContact CG2-CD1 3.5Å; I137-I336 VanDerWaalsContact CG2-CD1 3.5Å; I137-I336 HydrophobicContact CG2-CG1 4.15Å; K192-I336 HydrophobicContact CD-CG2 4.27Å; K192-I336 WeakPolarHBondContact CE-O 3.45Å; K192-I336 HydrophobicContact CG-CB 4.25Å; K192-I336 HydrophobicContact CG-CG2 4.01Å; K192-I336 PolarHBondContact NZ-O 3.1Å; K192-I336 PolarHBondContact NZ-OXT 3.27Å; L332-I336 HydrophobicContact CB-CD1 3.98Å; L332-I336 HydrophobicContact CD2-CD1 4.28Å; L332-I336 WeakPolarHBondContact O-CG1 3.37Å; L332-I336 PolarHBondContact O-N 3.13Å; L332-I336 VanDerWaalsContact O-N 3.08Å

Retrieved 336 of 336 residues in 769.4 ms (Link to these results)

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