A0A023IMJ3_RAT Loading...

RT1-DOb isoform 1

Involved in the presentation of foreign antigens to the immune system.

AlphaFold DB , UniProt , Accession A0A023IMJ3, Species RAT (Rattus norvegicus, Rat), Gene DOb, Length 246 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.6	Very low	39.5	Very low	254 Å²	254	140.5 Å²	140.5	100%	1.251	85%	0.845	S	S	*	*				0	135.3	0	-80.5	149.7	151.3	0	0	108.4
2	G	32.1	Very low	39.5	Very low	83 Å²	83	141.1 Å²	141.1	86%	0.856	84%	0.839	S	S	*	*			trans	106.8	96.3	160.1	0	0	0	0	0	115.3
3	A	37.4	Very low	40	Very low	112 Å²	112	142.2 Å²	142.2	93%	0.926	84%	0.837	S	S	*	*			trans	-68.4	159.7	170.9	0	0	0	0	0	112.8
4	G	33.6	Very low	40.4	Very low	70 Å²	70	139.7 Å²	139.7	72%	0.722	82%	0.824	S	S	*	*			trans	172.5	104.9	161.6	0	0	0	0	0	117.4
5	R	36.4	Very low	40.6	Very low	248 Å²	248	140.3 Å²	140.3	94%	0.936	82%	0.822	S	S	*	*			trans	90	92.2	148.5	-57.9	-177.6	179.3	-145.1	-1.5	119.6
6	A	35.7	Very low	40.4	Very low	82 Å²	82	140.6 Å²	140.6	68%	0.678	82%	0.818	S	S	*	*				50.1	169.4	114.4	0	0	0	0	0	121
7	P	51.3	Low	40.4	Very low	110 Å²	110	142.5 Å²	142.5	71%	0.714	82%	0.82	S	S	*	*				-136.7	133.1	-51.3	34.8	-18.7	0	0	0	111.4
8	W	33.2	Very low	40.6	Very low	237 Å²	237	146.8 Å²	146.8	90%	0.898	82%	0.82	S	S	*	*			trans	-143.9	105.9	176.9	-50.5	64.6	0	0	0	109.7	V10	W8-V10 PolarHBondContact O-N 3.25Å
9	V	48.2	Very low	40.7	Very low	140 Å²	140	145.1 Å²	145.1	85%	0.848	82%	0.816	S	S	*	*			trans	-22.6	120.2	159.2	-179.5	0	0	0	0	112.8
10	V	43.6	Very low	40.5	Very low	121 Å²	121	144.7 Å²	144.7	73%	0.733	81%	0.812	S	S	*	*			trans	-139.3	101.7	146.2	-174.5	0	0	0	0	107.8	W8 L12	W8-V10 PolarHBondContact O-N 3.25Å; V10-L12 HydrophobicContact CG1-CG 4.3Å; V10-L12 PolarHBondContact O-N 2.76Å
11	A	49	Very low	40.6	Very low	89 Å²	89	142.4 Å²	142.4	74%	0.736	81%	0.806	S	S	*	*			trans	-60.3	113	161.5	0	0	0	0	0	108.3
12	L	38.9	Very low	40.8	Very low	147 Å²	147	138.7 Å²	138.7	77%	0.77	78%	0.783	S	S	*	*			trans	-103	100.6	168.9	-95.6	158.6	0	0	0	108.4	V10 V14	V10-L12 HydrophobicContact CG1-CG 4.3Å; V10-L12 PolarHBondContact O-N 2.76Å; L12-V14 PolarHBondContact O-N 2.93Å
13	L	46.1	Very low	41.1	Very low	156 Å²	156	141.7 Å²	141.7	82%	0.817	78%	0.776	S	S	*	*			trans	-62.5	94.4	163.8	-76	161	0	0	0	108.6	N15	L13-N15 PolarHBondContact O-N 2.97Å
14	V	45.1	Very low	41.6	Very low	107 Å²	107	141.7 Å²	141.7	65%	0.648	76%	0.764	S	S	*	*			trans	-91.2	93.4	161.1	-174.7	0	0	0	0	106.7	L12 L16	L12-V14 PolarHBondContact O-N 2.93Å; V14-L16 HydrophobicContact CG1-CD1 3.93Å; V14-L16 HydrophobicContact CG1-CG 3.82Å; V14-L16 PolarHBondContact O-N 2.94Å
15	N	43.3	Very low	42.3	Very low	148 Å²	148	145.9 Å²	145.9	79%	0.791	77%	0.765	S	S	*	*			trans	-61.2	82	158	-84.3	-57.7	0	0	0	108.1	L13 M17	L13-N15 PolarHBondContact O-N 2.97Å; N15-M17 PolarHBondContact O-N 3.16Å
16	L	38.8	Very low	42.9	Very low	146 Å²	146	136.8 Å²	136.8	76%	0.764	75%	0.749	S	S	*	*			trans	-85.2	97.9	154.3	-85.6	160.1	0	0	0	105.2	V14 R18	V14-L16 HydrophobicContact CG1-CD1 3.93Å; V14-L16 HydrophobicContact CG1-CG 3.82Å; V14-L16 PolarHBondContact O-N 2.94Å; L16-R18 PolarHBondContact O-N 3.45Å
17	M	39.7	Very low	43.6	Very low	173 Å²	173	143.3 Å²	143.3	85%	0.852	76%	0.756	S	S	*	*			trans	-45.7	97.6	152.3	-70	-159.3	-72.7	0	0	106.5	N15 P19	N15-M17 PolarHBondContact O-N 3.16Å; M17-P19 VanDerWaalsContact O-CD 3.29Å; M17-P19 WeakPolarHBondContact O-CD 3.43Å
18	R	44.1	Very low	44	Very low	219 Å²	219	145.7 Å²	145.7	83%	0.826	76%	0.763	S	S	*	*			trans	-60.2	117	150.9	-149.9	178.2	-173.3	105.7	-0.5	101.7	L16 D20	L16-R18 PolarHBondContact O-N 3.45Å; R18-D20 PolarHBondContact O-N 2.93Å
19	P	42.8	Very low	45.5	Very low	114 Å²	114	139 Å²	139	74%	0.74	75%	0.753	S	S	*	*			trans	-58.4	106.7	158.1	-0.2	15.8	0	0	0	101.5	M17 S21	M17-P19 VanDerWaalsContact O-CD 3.29Å; M17-P19 WeakPolarHBondContact O-CD 3.43Å; P19-S21 VanDerWaalsContact C-N 3.26Å; P19-S21 PolarHBondContact O-N 2.93Å
20	D	37.3	Very low	46.9	Very low	138 Å²	138	138.1 Å²	138.1	74%	0.738	75%	0.75	S	S	*	*			trans	-46.1	117.5	148.8	-83.8	-33.9	0	0	0	102.2	R18 F22	R18-D20 PolarHBondContact O-N 2.93Å; D20-F22 PolarHBondContact O-N 3.36Å
21	S	41.8	Very low	48.8	Very low	96 Å²	96	140.4 Å²	140.4	67%	0.671	75%	0.752	S	S	*	*			trans	-55.1	83.6	151.9	47.9	0	0	0	0	103.8	P19 M23	P19-S21 VanDerWaalsContact C-N 3.26Å; P19-S21 PolarHBondContact O-N 2.93Å; S21-M23 PolarHBondContact O-N 2.75Å
22	F	39.7	Very low	50.5	Low	176 Å²	176	142 Å²	142	77%	0.772	75%	0.749	S	S	*	*			trans	-56.9	77.8	138.1	-146.1	-86.5	0	0	0	101.7	D20 V24	D20-F22 PolarHBondContact O-N 3.36Å; F22-V24 HydrophobicContact CD1-CB 4.46Å; F22-V24 HydrophobicContact CD1-CG2 3.68Å; F22-V24 HydrophobicContact CE1-CG2 4.09Å; F22-V24 PolarHBondContact O-N 2.83Å
23	M	38.3	Very low	52.9	Low	147 Å²	147	141.4 Å²	141.4	72%	0.724	74%	0.74	S	S	*	*			trans	-46.9	96.5	134.7	-64.6	-166.2	169.8	0	0	101.3	S21 E25	S21-M23 PolarHBondContact O-N 2.75Å; M23-E25 PolarHBondContact O-N 3.4Å
24	V	46.8	Very low	55	Low	111 Å²	111	136.5 Å²	136.5	67%	0.673	72%	0.716	S	S	*	*			trans	-52.3	91.5	138.8	179.8	0	0	0	0	100.3	F22 G26	F22-V24 HydrophobicContact CD1-CB 4.46Å; F22-V24 HydrophobicContact CD1-CG2 3.68Å; F22-V24 HydrophobicContact CE1-CG2 4.09Å; F22-V24 PolarHBondContact O-N 2.83Å; V24-G26 PolarHBondContact O-N 2.8Å
25	E	47.9	Very low	57.2	Low	158 Å²	158	137.5 Å²	137.5	74%	0.738	72%	0.717	S	S	*	*			trans	-48.9	93.7	149.9	-167	96.4	-149.6	0	0	100.5	M23 R27	M23-E25 PolarHBondContact O-N 3.4Å; E25-R27 PolarHBondContact O-N 2.83Å
26	G	49.1	Very low	59.6	Low	58 Å²	58	134 Å²	134	60%	0.598	70%	0.695	S	S	*	*			trans	-57.8	97	165.8	0	0	0	0	0	100.6	V24 D28	V24-G26 PolarHBondContact O-N 2.8Å; G26-D28 PolarHBondContact O-N 2.82Å
27	R	50.6	Low	62.2	Low	218 Å²	218	130.5 Å²	130.5	82%	0.823	69%	0.687	S	S	*	*			trans	-56.5	106.3	170	-77.9	-178.1	-169.3	150.8	3.1	101.9	E25 S29	E25-R27 PolarHBondContact O-N 2.83Å; R27-S29 PolarHBondContact O-N 3.49Å; R27-S29 PolarHBondContact O-OG 2.91Å
28	D	60.4	Low	64.6	Low	160 Å²	160	127 Å²	127	86%	0.856	67%	0.668	S	S	*	*			trans	-51	95	157.1	-98	-18.4	0	0	0	103.6	G26 P30	G26-D28 PolarHBondContact O-N 2.82Å; D28-P30 WeakPolarHBondContact O-CD 3.14Å
29	S	63.9	Low	67	Low	98 Å²	98	120 Å²	120	69%	0.685	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-67.8	120.9	171	-62.9	0	0	0	0	102.6	R27 E31	R27-S29 PolarHBondContact O-N 3.49Å; R27-S29 PolarHBondContact O-OG 2.91Å; S29-E31 PolarHBondContact O-N 2.78Å
30	P	77.8	Confident	69.3	Low	121 Å²	121	117.5 Å²	117.5	79%	0.786	64%	0.635	S	S	*	*	P	Polyproline II helix	trans	-54.4	132.8	-176.5	20.2	-30.3	0	0	0	108.7	D28 D32	D28-P30 WeakPolarHBondContact O-CD 3.14Å; P30-D32 PolarHBondContact O-N 3.08Å
31	E	83.3	Confident	71.9	Confident	169 Å²	169	112.8 Å²	112.8	79%	0.79	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-61	124	172.6	-63.6	-176.9	166.5	0	0	108.1	S29 F33	S29-E31 PolarHBondContact O-N 2.78Å; E31-F33 HydrophobicContact CB-CE2 3.85Å
32	D	85.6	Confident	74.1	Confident	123 Å²	123	112.9 Å²	112.9	66%	0.658	60%	0.599	S	S	*	*			trans	-110	128.8	-177.9	-167.5	19.1	0	0	0	110	P30 V34	P30-D32 PolarHBondContact O-N 3.08Å; D32-V34 WeakPolarHBondContact OD2-CG2 3.37Å
33	F	89.1	Confident	76.3	Confident	134 Å²	134	107.9 Å²	107.9	59%	0.588	58%	0.577	S	S	*	*			trans	-126.8	109.7	177.9	-63.2	-85.5	0	0	0	108	E31 F58 N59	E31-F33 HydrophobicContact CB-CE2 3.85Å; F33-F58 HydrophobicContact CD1-CE2 4.48Å; F33-F58 AromaticContact CD1-CZ 3.93Å; F33-F58 HydrophobicContact CD1-CZ 3.93Å; F33-N59 WeakPolarHBondContact CA-OD1 3.27Å
34	V	90.4	Very high	78.4	Confident	52 Å²	52	105 Å²	105	32%	0.315	57%	0.567	S	S	.	*			trans	-111.7	118.6	-172.1	-174	0	0	0	0	109.6	D32 Q36 F58 N59	D32-V34 WeakPolarHBondContact OD2-CG2 3.37Å; V34-Q36 HydrophobicContact CG1-CG 3.78Å; V34-F58 CarbonylContact O-C 3.6Å; V34-F58 WeakPolarHBondContact O-CA 3.1Å; V34-N59 PolarHBondContact N-OD1 2.78Å; V34-N59 PolarHBondContact O-N 3.24Å
35	I	90.8	Very high	80.1	Confident	129 Å²	129	105.6 Å²	105.6	66%	0.662	57%	0.567	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-105.3	130.1	169	-62.3	165	0	0	0	108.1	I57 F58	I35-I57 CarbonylContact C-O 3.57Å; I35-I57 WeakPolarHBondContact CA-O 3.45Å; I35-F58 HydrophobicContact CG1-CD2 3.82Å; I35-F58 HydrophobicContact CG1-CE2 4.29Å
36	Q	93.2	Very high	81.5	Confident	74 Å²	74	99.5 Å²	99.5	35%	0.346	55%	0.546	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	142	175.7	-48.1	-176.5	-53.9	0	0	110	V34 I57	V34-Q36 HydrophobicContact CG1-CG 3.78Å; Q36-I57 HydrophobicContact CB-CB 4.24Å; Q36-I57 PolarHBondContact N-O 3.24Å; Q36-I57 PolarHBondContact O-N 2.97Å
37	A	94.1	Very high	83.4	Confident	72 Å²	72	99.1 Å²	99.1	60%	0.595	53%	0.533	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.9	124.2	166.7	0	0	0	0	0	108.2	R55 F56	A37-R55 CarbonylContact C-O 3.58Å; A37-R55 VanDerWaalsContact CA-O 3.29Å; A37-R55 WeakPolarHBondContact CA-O 3.49Å; A37-F56 HydrophobicContact CB-CD1 4.26Å; A37-F56 HydrophobicContact CB-CE1 4.31Å
38	K	90.6	Very high	85.1	Confident	100 Å²	100	95.7 Å²	95.7	44%	0.435	53%	0.526	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	116.1	178.4	-65.2	-174.5	-179.4	178.6	0	109.3	V54 R55 I57	K38-V54 CarbonylContact O-C 3.55Å; K38-V54 VanDerWaalsContact O-CA 3.29Å; K38-V54 WeakPolarHBondContact O-CA 3.41Å; K38-R55 HydrophobicContact CB-CB 4.44Å; K38-R55 PolarHBondContact N-O 2.81Å; K38-R55 PolarHBondContact O-N 3.2Å; K38-I57 HydrophobicContact CD-CD1 3.83Å; K38-I57 HydrophobicContact CG-CD1 4.16Å
39	A	93.6	Very high	86.6	Confident	73 Å²	73	94.2 Å²	94.2	60%	0.603	51%	0.512	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.3	113.1	174.7	0	0	0	0	0	109.1	F52 V54	A39-F52 HydrophobicContact CB-CE2 4.05Å; A39-F52 HydrophobicContact CB-CZ 4.33Å; A39-V54 HydrophobicContact CB-CG2 4.2Å
40	E	91.5	Very high	88	Confident	60 Å²	60	90.1 Å²	90.1	28%	0.28	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	135.7	-173.6	-59.3	179.7	128.2	0	0	109.7	Y42 F52 L53 R55	E40-Y42 HydrophobicContact CB-CE2 3.9Å; E40-Y42 PolarHBondContact OE2-OH 3.05Å; E40-Y42 VanDerWaalsContact OE2-OH 3.08Å; E40-F52 WeakPolarHBondContact O-CA 3.29Å; E40-L53 PolarHBondContact N-O 3.22Å; E40-L53 PolarHBondContact O-N 2.6Å; E40-R55 WeakPolarHBondContact OE2-CD 3.13Å; E40-R55 IonicContact OE2-CZ 2.65Å; E40-R55 IonicContact OE2-NE 3.31Å; E40-R55 PolarHBondContact OE2-NE 3.14Å; E40-R55 IonicContact OE2-NH2 3.2Å
41	C	92.1	Very high	88.8	Confident	40 Å²	40	88.4 Å²	88.4	27%	0.27	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	116.4	174.9	-65.6	0	0	0	0	109	F43 C105	C41-F43 HydrophobicContact CB-CD2 4.39Å; C41-F43 HydrophobicContact CB-CE2 3.47Å; C41-F43 VanDerWaalsContact CB-CE2 3.47Å; C41-F43 HydrophobicContact CB-CZ 3.54Å; C41-C105 HydrophobicContact CB-CB 3.66Å; C41-C105 WeakPolarHBondContact CB-SG 3.24Å; C41-C105 WeakPolarHBondContact SG-CA 3.42Å; C41-C105 WeakPolarHBondContact SG-CB 3.48Å; C41-C105 CovalentContact SG-SG 2.04Å; C41-C105 PolarHBondContact SG-SG 2.73Å
42	Y	87.1	Confident	89.4	Confident	98 Å²	98	81 Å²	81	38%	0.384	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	123.4	176	-58.7	-82.5	0	0	0	109.6	E40 V50 R51 L53	E40-Y42 HydrophobicContact CB-CE2 3.9Å; E40-Y42 PolarHBondContact OE2-OH 3.05Å; E40-Y42 VanDerWaalsContact OE2-OH 3.08Å; Y42-V50 WeakPolarHBondContact O-CA 3.48Å; Y42-R51 PolarHBondContact N-O 2.77Å; Y42-R51 PolarHBondContact O-N 3.21Å; Y42-L53 HydrophobicContact CE2-CB 4.14Å; Y42-L53 HydrophobicContact CE2-CD2 4.14Å
43	F	86.5	Confident	90	Very high	71 Å²	71	75.3 Å²	75.3	31%	0.311	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	131.6	-177.2	-61.8	-79.8	0	0	0	109.7	C41 G46 V50 C105 Y109	C41-F43 HydrophobicContact CB-CD2 4.39Å; C41-F43 HydrophobicContact CB-CE2 3.47Å; C41-F43 VanDerWaalsContact CB-CE2 3.47Å; C41-F43 HydrophobicContact CB-CZ 3.54Å; F43-G46 WeakPolarHBondContact CB-O 3.31Å; F43-V50 HydrophobicContact CD1-CB 4.5Å; F43-V50 HydrophobicContact CD1-CG1 4.02Å; F43-V50 HydrophobicContact CD1-CG2 3.84Å; F43-V50 HydrophobicContact CE1-CG1 3.77Å; F43-V50 HydrophobicContact CE1-CG2 4.11Å; F43-C105 HydrophobicContact CE1-CB 3.99Å; F43-C105 WeakPolarHBondContact CE1-O 3.44Å; F43-C105 HydrophobicContact CZ-CB 3.83Å; F43-C105 VanDerWaalsContact CZ-O 3.25Å; F43-C105 WeakPolarHBondContact CZ-O 3.48Å; F43-Y109 HydrophobicContact CB-CD2 4.26Å; F43-Y109 HydrophobicContact CB-CE2 4.14Å; F43-Y109 AromaticContact CD1-CD2 3.48Å; F43-Y109 HydrophobicContact CD1-CD2 3.48Å; F43-Y109 VanDerWaalsContact CD1-CD2 3.48Å; F43-Y109 HydrophobicContact CD1-CE2 4.14Å; F43-Y109 HydrophobicContact CD1-CG 4.09Å; F43-Y109 AromaticContact CD2-CD2 3.86Å; F43-Y109 HydrophobicContact CD2-CD2 3.86Å; F43-Y109 HydrophobicContact CD2-CE2 4.42Å; F43-Y109 AromaticContact CE1-CD2 3.7Å; F43-Y109 HydrophobicContact CE1-CD2 3.7Å; F43-Y109 AromaticContact CE1-CG 3.97Å; F43-Y109 HydrophobicContact CE1-CG 3.97Å; F43-Y109 HydrophobicContact CE2-CD2 4.03Å; F43-Y109 AromaticContact CG-CD2 3.58Å; F43-Y109 HydrophobicContact CG-CD2 3.58Å; F43-Y109 AromaticContact CG-CE2 3.98Å; F43-Y109 HydrophobicContact CG-CE2 3.98Å; F43-Y109 AromaticContact CZ-CD2 3.96Å; F43-Y109 HydrophobicContact CZ-CD2 3.96Å; F43-Y109 HydrophobicContact CZ-CG 4.34Å
44	T	81.2	Confident	90.3	Very high	85 Å²	85	70 Å²	70	52%	0.521	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	128.7	174.3	-51.4	0	0	0	0	109.1	K49	T44-K49 PolarHBondContact N-O 2.82Å; T44-K49 PolarHBondContact O-N 2.8Å
45	N	82.5	Confident	90.6	Very high	125 Å²	125	70.5 Å²	70.5	67%	0.668	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	58.3	-173.3	-161.6	20.3	0	0	0	111.9	T47 E48	N45-T47 PolarHBondContact O-N 2.89Å; N45-E48 HydrophobicContact CB-CB 4.31Å; N45-E48 PolarHBondContact ND2-OE2 2.84Å; N45-E48 PolarHBondContact O-N 2.95Å
46	G	79.2	Confident	90.9	Very high	29 Å²	29	66.2 Å²	66.2	30%	0.299	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.2	-117.5	-173.5	0	0	0	0	0	111.5	F43 Y109	F43-G46 WeakPolarHBondContact CB-O 3.31Å; G46-Y109 WeakPolarHBondContact CA-OH 3.23Å
47	T	87.3	Confident	91	Very high	51 Å²	51	63.3 Å²	63.3	31%	0.313	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.5	10.8	177.8	66.6	0	0	0	0	113.1	N45 K49 R106 Y109	N45-T47 PolarHBondContact O-N 2.89Å; T47-K49 PolarHBondContact O-N 2.76Å; T47-R106 PolarHBondContact O-NH1 2.79Å; T47-R106 PolarHBondContact O-NH2 2.9Å; T47-Y109 HydrophobicContact CG2-CD1 3.27Å; T47-Y109 HydrophobicContact CG2-CD2 4.3Å; T47-Y109 HydrophobicContact CG2-CE1 3.71Å; T47-Y109 HydrophobicContact CG2-CG 3.62Å
48	E	87.5	Confident	90.9	Very high	146 Å²	146	63.2 Å²	63.2	68%	0.682	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-53.1	-179.3	-172.6	-178.8	175.3	0	0	111.1	N45	N45-E48 HydrophobicContact CB-CB 4.31Å; N45-E48 PolarHBondContact ND2-OE2 2.84Å; N45-E48 PolarHBondContact O-N 2.95Å
49	K	90.9	Very high	90.8	Very high	128 Å²	128	61.7 Å²	61.7	56%	0.557	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.3	125.1	173.9	-174.6	-179.9	-176.8	-176.2	0	109.7	T44 T47	T44-K49 PolarHBondContact N-O 2.82Å; T44-K49 PolarHBondContact O-N 2.8Å; T47-K49 PolarHBondContact O-N 2.76Å
50	V	93.9	Very high	90.5	Very high	13 Å²	13	65.5 Å²	65.5	8%	0.079	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	125.4	-178.8	-175.3	0	0	0	0	108.3	Y42 F43 V101 C105 R106	Y42-V50 WeakPolarHBondContact O-CA 3.48Å; F43-V50 HydrophobicContact CD1-CB 4.5Å; F43-V50 HydrophobicContact CD1-CG1 4.02Å; F43-V50 HydrophobicContact CD1-CG2 3.84Å; F43-V50 HydrophobicContact CE1-CG1 3.77Å; F43-V50 HydrophobicContact CE1-CG2 4.11Å; V50-V101 HydrophobicContact CB-CG1 3.85Å; V50-V101 HydrophobicContact CG1-CG1 3.89Å; V50-C105 HydrophobicContact CG1-CB 3.58Å; V50-R106 HydrophobicContact CG2-CG 4.25Å
51	R	95.4	Very high	90.6	Very high	85 Å²	85	68.5 Å²	68.5	32%	0.321	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	127	173.3	-179.4	-177.8	178.7	-161.2	-0.1	109.2	Y42 D67 S68 D69	Y42-R51 PolarHBondContact N-O 2.77Å; Y42-R51 PolarHBondContact O-N 3.21Å; R51-D67 IonicContact CZ-OD1 3.74Å; R51-D67 IonicContact CZ-OD2 3.85Å; R51-D67 IonicContact NE-OD1 2.64Å; R51-D67 PolarHBondContact NE-OD1 3.3Å; R51-D67 IonicContact NE-OD2 3.01Å; R51-D67 PolarHBondContact NE-OD2 2.96Å; R51-D67 IonicContact NH2-OD1 3.55Å; R51-D67 IonicContact NH2-OD2 3.83Å; R51-D67 PolarHBondContact NH2-OD2 2.89Å; R51-S68 WeakPolarHBondContact CA-OG 3.32Å; R51-D69 WeakPolarHBondContact CD-OD2 3.3Å; R51-D69 IonicContact NE-OD2 3.59Å
52	F	96.1	Very high	90.7	Very high	14 Å²	14	68.5 Å²	68.5	6%	0.061	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	127.6	174.4	178.6	-116.7	0	0	0	109.5	A39 E40 V54 F66 S68 A100 V101 C105	A39-F52 HydrophobicContact CB-CE2 4.05Å; A39-F52 HydrophobicContact CB-CZ 4.33Å; E40-F52 WeakPolarHBondContact O-CA 3.29Å; F52-V54 HydrophobicContact CD1-CG2 4.1Å; F52-V54 HydrophobicContact CE1-CG2 3.22Å; F52-V54 HydrophobicContact CE2-CG2 3.86Å; F52-V54 HydrophobicContact CZ-CG2 3.09Å; F52-F66 HydrophobicContact CD1-CD1 4.03Å; F52-F66 HydrophobicContact CD1-CE1 4.11Å; F52-F66 HydrophobicContact CE1-CD1 4.36Å; F52-S68 PolarHBondContact N-OG 2.84Å; F52-S68 WeakPolarHBondContact O-CB 3.15Å; F52-S68 PolarHBondContact O-N 2.88Å; F52-S68 PolarHBondContact O-OG 3.23Å; F52-A100 HydrophobicContact CD1-CB 3.48Å; F52-A100 VanDerWaalsContact CD1-CB 3.48Å; F52-A100 HydrophobicContact CE1-CB 3.23Å; F52-A100 HydrophobicContact CE2-CB 4.36Å; F52-A100 HydrophobicContact CG-CB 4.13Å; F52-A100 HydrophobicContact CZ-CB 3.71Å; F52-V101 HydrophobicContact CB-CG2 3.76Å; F52-C105 WeakPolarHBondContact CD2-SG 3.44Å
53	L	96.9	Very high	91.1	Very high	2 Å²	2	65.2 Å²	65.2	1%	0.01	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	122.3	-179.1	-172.7	71.2	0	0	0	109.2	E40 Y42 R55 H65 F66 D67	E40-L53 PolarHBondContact N-O 3.22Å; E40-L53 PolarHBondContact O-N 2.6Å; Y42-L53 HydrophobicContact CE2-CB 4.14Å; Y42-L53 HydrophobicContact CE2-CD2 4.14Å; L53-R55 HydrophobicContact CD2-CG 4.26Å; L53-R55 HydrophobicContact CG-CG 4.19Å; L53-H65 HydrophobicContact CD1-CB 4.26Å; L53-F66 WeakPolarHBondContact CA-O 3.36Å; L53-F66 WeakPolarHBondContact CD1-O 3.4Å; L53-D67 HydrophobicContact CD1-CB 3.9Å
54	V	96.5	Very high	91.7	Very high	22 Å²	22	61.8 Å²	61.8	13%	0.133	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	115.3	173.4	-174.7	0	0	0	0	108.9	K38 A39 F52 F56 H65 F66	K38-V54 CarbonylContact O-C 3.55Å; K38-V54 VanDerWaalsContact O-CA 3.29Å; K38-V54 WeakPolarHBondContact O-CA 3.41Å; A39-V54 HydrophobicContact CB-CG2 4.2Å; F52-V54 HydrophobicContact CD1-CG2 4.1Å; F52-V54 HydrophobicContact CE1-CG2 3.22Å; F52-V54 HydrophobicContact CE2-CG2 3.86Å; F52-V54 HydrophobicContact CZ-CG2 3.09Å; V54-F56 HydrophobicContact CB-CE2 4.31Å; V54-F56 HydrophobicContact CG1-CD2 4.42Å; V54-F56 HydrophobicContact CG1-CE2 3.72Å; V54-F56 HydrophobicContact CG1-CZ 3.8Å; V54-H65 CarbonylContact O-C 3.54Å; V54-H65 WeakPolarHBondContact O-CA 3.28Å; V54-H65 WeakPolarHBondContact O-CB 3.43Å; V54-F66 HydrophobicContact CB-CB 4.4Å; V54-F66 PolarHBondContact N-O 3.47Å; V54-F66 PolarHBondContact O-N 3.07Å
55	R	96.9	Very high	92.4	Very high	64 Å²	64	58.9 Å²	58.9	24%	0.242	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	131.6	-179.9	-57.2	178.3	-178.5	-88.2	7.5	110.4	A37 K38 E40 L53 I57 E62 H65	A37-R55 CarbonylContact C-O 3.58Å; A37-R55 VanDerWaalsContact CA-O 3.29Å; A37-R55 WeakPolarHBondContact CA-O 3.49Å; K38-R55 HydrophobicContact CB-CB 4.44Å; K38-R55 PolarHBondContact N-O 2.81Å; K38-R55 PolarHBondContact O-N 3.2Å; E40-R55 WeakPolarHBondContact OE2-CD 3.13Å; E40-R55 IonicContact OE2-CZ 2.65Å; E40-R55 IonicContact OE2-NE 3.31Å; E40-R55 PolarHBondContact OE2-NE 3.14Å; E40-R55 IonicContact OE2-NH2 3.2Å; L53-R55 HydrophobicContact CD2-CG 4.26Å; L53-R55 HydrophobicContact CG-CG 4.19Å; R55-I57 HydrophobicContact CB-CD1 4.47Å; R55-I57 HydrophobicContact CB-CG1 4.37Å; R55-E62 HydrophobicContact CB-CG 4.08Å; R55-E62 WeakPolarHBondContact CD-OE2 3.35Å; R55-E62 WeakPolarHBondContact CG-OE1 3.34Å; R55-E62 IonicContact CZ-OE1 3.04Å; R55-E62 IonicContact CZ-OE2 3.83Å; R55-E62 IonicContact NE-OE2 2.95Å; R55-E62 IonicContact NH1-OE1 3.59Å; R55-E62 PolarHBondContact NH1-OE1 2.93Å; R55-E62 IonicContact NH1-OE2 3.94Å; R55-E62 PolarHBondContact NH1-OE2 3.3Å; R55-H65 HydrophobicContact CG-CB 4.37Å
56	F	95.8	Very high	93.2	Very high	39 Å²	39	52.9 Å²	52.9	17%	0.171	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	123.3	172.7	-60.6	-94.4	0	0	0	108.7	A37 V54 E62 Y63 L64 F73 W87	A37-F56 HydrophobicContact CB-CD1 4.26Å; A37-F56 HydrophobicContact CB-CE1 4.31Å; V54-F56 HydrophobicContact CB-CE2 4.31Å; V54-F56 HydrophobicContact CG1-CD2 4.42Å; V54-F56 HydrophobicContact CG1-CE2 3.72Å; V54-F56 HydrophobicContact CG1-CZ 3.8Å; F56-E62 WeakPolarHBondContact O-CA 3.15Å; F56-Y63 HydrophobicContact CB-CD1 4.2Å; F56-Y63 HydrophobicContact CB-CE1 3.51Å; F56-Y63 HydrophobicContact CB-CE2 4.42Å; F56-Y63 WeakPolarHBondContact O-CD1 3.38Å; F56-Y63 PolarHBondContact O-N 2.79Å; F56-L64 HydrophobicContact CD2-CD2 3.33Å; F56-L64 HydrophobicContact CE2-CD2 3.76Å; F56-L64 HydrophobicContact CG-CD2 4.14Å; F56-L64 PolarHBondContact N-O 3.05Å; F56-F73 HydrophobicContact CE2-CD1 4.46Å; F56-F73 HydrophobicContact CE2-CE1 4.12Å; F56-W87 HydrophobicContact CD1-CH2 4.18Å; F56-W87 HydrophobicContact CD1-CZ3 4.42Å; F56-W87 HydrophobicContact CD2-CZ3 4.14Å; F56-W87 AromaticContact CE1-CH2 3.88Å; F56-W87 HydrophobicContact CE1-CH2 3.88Å; F56-W87 AromaticContact CE1-CZ3 3.97Å; F56-W87 HydrophobicContact CE1-CZ3 3.97Å; F56-W87 HydrophobicContact CE2-CH2 4.35Å; F56-W87 AromaticContact CE2-CZ3 3.66Å; F56-W87 HydrophobicContact CE2-CZ3 3.66Å; F56-W87 HydrophobicContact CG-CZ3 4.5Å; F56-W87 AromaticContact CZ-CH2 3.97Å; F56-W87 HydrophobicContact CZ-CH2 3.97Å; F56-W87 AromaticContact CZ-CZ3 3.56Å; F56-W87 HydrophobicContact CZ-CZ3 3.56Å
57	I	94.9	Very high	94.1	Very high	13 Å²	13	52 Å²	52	7%	0.067	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	130.7	-167.1	-54.5	169.3	0	0	0	108.7	I35 Q36 K38 R55 L60 E61 E62	I35-I57 CarbonylContact C-O 3.57Å; I35-I57 WeakPolarHBondContact CA-O 3.45Å; Q36-I57 HydrophobicContact CB-CB 4.24Å; Q36-I57 PolarHBondContact N-O 3.24Å; Q36-I57 PolarHBondContact O-N 2.97Å; K38-I57 HydrophobicContact CD-CD1 3.83Å; K38-I57 HydrophobicContact CG-CD1 4.16Å; R55-I57 HydrophobicContact CB-CD1 4.47Å; R55-I57 HydrophobicContact CB-CG1 4.37Å; I57-L60 VanDerWaalsContact CG2-C 3.48Å; I57-E61 CarbonylContact C-O 3.55Å; I57-E61 VanDerWaalsContact CA-O 3.31Å; I57-E61 WeakPolarHBondContact CA-O 3.3Å; I57-E62 HydrophobicContact CG1-CB 4.17Å; I57-E62 HydrophobicContact CG1-CG 4.34Å
58	F	93.3	Very high	94.5	Very high	70 Å²	70	50.7 Å²	50.7	31%	0.307	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	121.1	174.6	-177.7	-108	0	0	0	109.4	F33 V34 I35 L60 E61 Y63	F33-F58 HydrophobicContact CD1-CE2 4.48Å; F33-F58 AromaticContact CD1-CZ 3.93Å; F33-F58 HydrophobicContact CD1-CZ 3.93Å; V34-F58 CarbonylContact O-C 3.6Å; V34-F58 WeakPolarHBondContact O-CA 3.1Å; I35-F58 HydrophobicContact CG1-CD2 3.82Å; I35-F58 HydrophobicContact CG1-CE2 4.29Å; F58-L60 PolarHBondContact O-N 2.98Å; F58-L60 VanDerWaalsContact O-N 3.09Å; F58-E61 PolarHBondContact N-O 3.42Å; F58-E61 PolarHBondContact O-N 2.97Å; F58-Y63 HydrophobicContact CB-CD1 4.06Å; F58-Y63 HydrophobicContact CB-CE1 4.46Å
59	N	86.9	Confident	94.9	Very high	67 Å²	67	48 Å²	48	36%	0.358	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.6	37.4	179.1	-66.6	-17.5	0	0	0	114.3	F33 V34	F33-N59 WeakPolarHBondContact CA-OD1 3.27Å; V34-N59 PolarHBondContact N-OD1 2.78Å; V34-N59 PolarHBondContact O-N 3.24Å
60	L	88.5	Confident	95.2	Very high	154 Å²	154	46.8 Å²	46.8	81%	0.806	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.2	-5.6	-176	-47.4	172	0	0	0	116.4	I57 F58	I57-L60 VanDerWaalsContact CG2-C 3.48Å; F58-L60 PolarHBondContact O-N 2.98Å; F58-L60 VanDerWaalsContact O-N 3.09Å
61	E	92.6	Very high	95.3	Very high	122 Å²	122	46.6 Å²	46.6	57%	0.57	23%	0.228	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-93.9	118.9	174.5	-172.7	172.3	-165.7	0	0	110.7	I57 F58 Y63 T77	I57-E61 CarbonylContact C-O 3.55Å; I57-E61 VanDerWaalsContact CA-O 3.31Å; I57-E61 WeakPolarHBondContact CA-O 3.3Å; F58-E61 PolarHBondContact N-O 3.42Å; F58-E61 PolarHBondContact O-N 2.97Å; E61-Y63 PolarHBondContact O-N 2.91Å; E61-T77 HydrophobicContact CG-CG2 4.16Å; E61-T77 VanDerWaalsContact OE1-CG2 3.31Å; E61-T77 WeakPolarHBondContact OE1-CG2 3.33Å
62	E	94.9	Very high	95.4	Very high	41 Å²	41	45.8 Å²	45.8	19%	0.192	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	115	171.6	-172.5	-175.4	155.4	0	0	109.1	R55 F56 I57 H65 L76	R55-E62 HydrophobicContact CB-CG 4.08Å; R55-E62 WeakPolarHBondContact CD-OE2 3.35Å; R55-E62 WeakPolarHBondContact CG-OE1 3.34Å; R55-E62 IonicContact CZ-OE1 3.04Å; R55-E62 IonicContact CZ-OE2 3.83Å; R55-E62 IonicContact NE-OE2 2.95Å; R55-E62 IonicContact NH1-OE1 3.59Å; R55-E62 PolarHBondContact NH1-OE1 2.93Å; R55-E62 IonicContact NH1-OE2 3.94Å; R55-E62 PolarHBondContact NH1-OE2 3.3Å; F56-E62 WeakPolarHBondContact O-CA 3.15Å; I57-E62 HydrophobicContact CG1-CB 4.17Å; I57-E62 HydrophobicContact CG1-CG 4.34Å; E62-H65 WeakPolarHBondContact OE1-CB 3.14Å; E62-H65 IonicContact OE1-CG 2.85Å; E62-H65 IonicContact OE1-ND1 2.62Å; E62-H65 PolarHBondContact OE1-ND1 3.08Å; E62-L76 HydrophobicContact CB-CD1 4.01Å; E62-L76 HydrophobicContact CG-CD1 3.65Å; E62-L76 WeakPolarHBondContact O-CB 3.45Å; E62-L76 WeakPolarHBondContact OE1-CD1 3.37Å
63	Y	96.1	Very high	95.5	Very high	28 Å²	28	45.6 Å²	45.6	11%	0.11	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	-23.8	-174.4	73.8	-90.7	0	0	0	112.6	F56 F58 E61 L76 T77 L79 D83	F56-Y63 HydrophobicContact CB-CD1 4.2Å; F56-Y63 HydrophobicContact CB-CE1 3.51Å; F56-Y63 HydrophobicContact CB-CE2 4.42Å; F56-Y63 WeakPolarHBondContact O-CD1 3.38Å; F56-Y63 PolarHBondContact O-N 2.79Å; F58-Y63 HydrophobicContact CB-CD1 4.06Å; F58-Y63 HydrophobicContact CB-CE1 4.46Å; E61-Y63 PolarHBondContact O-N 2.91Å; Y63-L76 PolarHBondContact O-N 3.26Å; Y63-T77 WeakPolarHBondContact CB-OG1 3.41Å; Y63-T77 PolarHBondContact O-N 3.13Å; Y63-L79 HydrophobicContact CD2-CD2 4.3Å; Y63-L79 HydrophobicContact CD2-CG 4.23Å; Y63-L79 HydrophobicContact CG-CD2 4.2Å; Y63-D83 WeakPolarHBondContact CE2-OD2 3.21Å
64	L	97.4	Very high	95.5	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	148.2	-178.8	176.6	151.9	0	0	0	110.5	F56 F73 V74 G80 D83 A84 W87	F56-L64 HydrophobicContact CD2-CD2 3.33Å; F56-L64 HydrophobicContact CE2-CD2 3.76Å; F56-L64 HydrophobicContact CG-CD2 4.14Å; F56-L64 PolarHBondContact N-O 3.05Å; L64-F73 HydrophobicContact CD2-CB 4.36Å; L64-F73 HydrophobicContact CD2-CD1 3.7Å; L64-F73 HydrophobicContact CD2-CG 4.46Å; L64-V74 CarbonylContact C-O 3.53Å; L64-V74 WeakPolarHBondContact CA-O 3.22Å; L64-G80 WeakPolarHBondContact CD1-O 3.41Å; L64-D83 HydrophobicContact CD1-CB 3.58Å; L64-A84 HydrophobicContact CD1-CB 3.77Å; L64-W87 HydrophobicContact CD2-CE3 4.07Å; L64-W87 HydrophobicContact CD2-CZ3 3.69Å
65	H	97.9	Very high	95.6	Very high	23 Å²	23	48 Å²	48	11%	0.106	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	156.9	167.1	62.4	-110.3	0	0	0	113.6	L53 V54 R55 E62 F73 V74	L53-H65 HydrophobicContact CD1-CB 4.26Å; V54-H65 CarbonylContact O-C 3.54Å; V54-H65 WeakPolarHBondContact O-CA 3.28Å; V54-H65 WeakPolarHBondContact O-CB 3.43Å; R55-H65 HydrophobicContact CG-CB 4.37Å; E62-H65 WeakPolarHBondContact OE1-CB 3.14Å; E62-H65 IonicContact OE1-CG 2.85Å; E62-H65 IonicContact OE1-ND1 2.62Å; E62-H65 PolarHBondContact OE1-ND1 3.08Å; H65-F73 CarbonylContact O-C 3.58Å; H65-F73 VanDerWaalsContact O-CA 3.26Å; H65-F73 WeakPolarHBondContact O-CA 3.4Å; H65-V74 PolarHBondContact N-O 2.76Å; H65-V74 PolarHBondContact O-N 2.81Å
66	F	98.1	Very high	95.5	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	128.9	161.2	177.5	-96.2	0	0	0	109.8	F52 L53 V54 F73 L94 S97 R98	F52-F66 HydrophobicContact CD1-CD1 4.03Å; F52-F66 HydrophobicContact CD1-CE1 4.11Å; F52-F66 HydrophobicContact CE1-CD1 4.36Å; L53-F66 WeakPolarHBondContact CA-O 3.36Å; L53-F66 WeakPolarHBondContact CD1-O 3.4Å; V54-F66 HydrophobicContact CB-CB 4.4Å; V54-F66 PolarHBondContact N-O 3.47Å; V54-F66 PolarHBondContact O-N 3.07Å; F66-F73 HydrophobicContact CB-CD1 3.59Å; F66-F73 HydrophobicContact CB-CE1 3.55Å; F66-F73 HydrophobicContact CB-CG 4.31Å; F66-F73 HydrophobicContact CB-CZ 4.18Å; F66-F73 HydrophobicContact CD2-CD1 4.24Å; F66-F73 HydrophobicContact CD2-CD2 4.08Å; F66-F73 HydrophobicContact CD2-CE1 4.21Å; F66-F73 AromaticContact CD2-CE2 3.99Å; F66-F73 HydrophobicContact CD2-CE2 3.99Å; F66-F73 HydrophobicContact CD2-CG 4.21Å; F66-F73 HydrophobicContact CD2-CZ 4.07Å; F66-F73 HydrophobicContact CG-CD1 4.4Å; F66-F73 HydrophobicContact CG-CE1 4.24Å; F66-F73 HydrophobicContact CG-CZ 4.41Å; F66-L94 HydrophobicContact CE2-CD2 4.26Å; F66-S97 VanDerWaalsContact CE1-O 3.27Å; F66-S97 WeakPolarHBondContact CE1-O 3.43Å; F66-S97 VanDerWaalsContact CZ-C 3.49Å; F66-R98 HydrophobicContact CE2-CG 4.48Å; F66-R98 HydrophobicContact CZ-CG 3.94Å
67	D	97.4	Very high	95.5	Very high	10 Å²	10	49 Å²	49	5%	0.053	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	123.2	173.4	-170.3	-14.3	0	0	0	110.4	R51 L53 D69 L70 G71 L72	R51-D67 IonicContact CZ-OD1 3.74Å; R51-D67 IonicContact CZ-OD2 3.85Å; R51-D67 IonicContact NE-OD1 2.64Å; R51-D67 PolarHBondContact NE-OD1 3.3Å; R51-D67 IonicContact NE-OD2 3.01Å; R51-D67 PolarHBondContact NE-OD2 2.96Å; R51-D67 IonicContact NH2-OD1 3.55Å; R51-D67 IonicContact NH2-OD2 3.83Å; R51-D67 PolarHBondContact NH2-OD2 2.89Å; L53-D67 HydrophobicContact CD1-CB 3.9Å; D67-D69 PolarHBondContact O-N 2.7Å; D67-D69 PolarHBondContact OD1-N 3.5Å; D67-L70 HydrophobicContact CB-CB 4.29Å; D67-L70 HydrophobicContact CB-CD1 4.15Å; D67-L70 HydrophobicContact CB-CG 4.16Å; D67-L70 CarbonylContact O-C 3.6Å; D67-L70 PolarHBondContact O-N 3.16Å; D67-G71 WeakPolarHBondContact O-CA 3.48Å; D67-G71 PolarHBondContact O-N 3.44Å; D67-L72 PolarHBondContact N-O 3.05Å
68	S	96.8	Very high	95.4	Very high	24 Å²	24	56.4 Å²	56.4	17%	0.168	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-28.2	178	65.1	0	0	0	0	113.7	R51 F52 L70 G71	R51-S68 WeakPolarHBondContact CA-OG 3.32Å; F52-S68 PolarHBondContact N-OG 2.84Å; F52-S68 WeakPolarHBondContact O-CB 3.15Å; F52-S68 PolarHBondContact O-N 2.88Å; F52-S68 PolarHBondContact O-OG 3.23Å; S68-L70 VanDerWaalsContact C-N 3.25Å; S68-L70 PolarHBondContact O-N 3.43Å; S68-G71 PolarHBondContact O-N 2.81Å
69	D	96.1	Very high	95.3	Very high	90 Å²	90	57.9 Å²	57.9	48%	0.481	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-29.3	178.5	-74	-2.2	0	0	0	111	R51 D67	R51-D69 WeakPolarHBondContact CD-OD2 3.3Å; R51-D69 IonicContact NE-OD2 3.59Å; D67-D69 PolarHBondContact O-N 2.7Å; D67-D69 PolarHBondContact OD1-N 3.5Å
70	L	96.6	Very high	95.7	Very high	102 Å²	102	54.7 Å²	54.7	53%	0.534	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-27.9	173.5	-57.9	178.8	0	0	0	112.1	D67 S68 L72 V74	D67-L70 HydrophobicContact CB-CB 4.29Å; D67-L70 HydrophobicContact CB-CD1 4.15Å; D67-L70 HydrophobicContact CB-CG 4.16Å; D67-L70 CarbonylContact O-C 3.6Å; D67-L70 PolarHBondContact O-N 3.16Å; S68-L70 VanDerWaalsContact C-N 3.25Å; S68-L70 PolarHBondContact O-N 3.43Å; L70-L72 VanDerWaalsContact C-N 3.31Å; L70-L72 HydrophobicContact CB-CG 4.28Å; L70-L72 PolarHBondContact O-N 3.42Å; L70-V74 HydrophobicContact CD1-CG2 3.61Å
71	G	96.1	Very high	96.1	Very high	9 Å²	9	53.4 Å²	53.4	9%	0.093	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.5	23.3	-177.7	0	0	0	0	0	114	D67 S68 R98	D67-G71 WeakPolarHBondContact O-CA 3.48Å; D67-G71 PolarHBondContact O-N 3.44Å; S68-G71 PolarHBondContact O-N 2.81Å; G71-R98 VanDerWaalsContact O-CZ 3.25Å; G71-R98 PolarHBondContact O-NE 2.62Å; G71-R98 PolarHBondContact O-NH2 3Å
72	L	97.4	Very high	96.2	Very high	68 Å²	68	52.5 Å²	52.5	36%	0.356	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	165.8	-178.7	60.5	83.2	0	0	0	112.3	D67 L70 V74 N88 L94	D67-L72 PolarHBondContact N-O 3.05Å; L70-L72 VanDerWaalsContact C-N 3.31Å; L70-L72 HydrophobicContact CB-CG 4.28Å; L70-L72 PolarHBondContact O-N 3.42Å; L72-V74 HydrophobicContact CD1-CG2 3.64Å; L72-N88 WeakPolarHBondContact CB-OD1 3.45Å; L72-L94 HydrophobicContact CB-CD2 4.25Å
73	F	97.8	Very high	96.2	Very high	10 Å²	10	52.6 Å²	52.6	4%	0.044	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	131.1	174.4	-63.4	-89.1	0	0	0	110.7	F56 L64 H65 F66 A84 W87 N88 L94	F56-F73 HydrophobicContact CE2-CD1 4.46Å; F56-F73 HydrophobicContact CE2-CE1 4.12Å; L64-F73 HydrophobicContact CD2-CB 4.36Å; L64-F73 HydrophobicContact CD2-CD1 3.7Å; L64-F73 HydrophobicContact CD2-CG 4.46Å; H65-F73 CarbonylContact O-C 3.58Å; H65-F73 VanDerWaalsContact O-CA 3.26Å; H65-F73 WeakPolarHBondContact O-CA 3.4Å; F66-F73 HydrophobicContact CB-CD1 3.59Å; F66-F73 HydrophobicContact CB-CE1 3.55Å; F66-F73 HydrophobicContact CB-CG 4.31Å; F66-F73 HydrophobicContact CB-CZ 4.18Å; F66-F73 HydrophobicContact CD2-CD1 4.24Å; F66-F73 HydrophobicContact CD2-CD2 4.08Å; F66-F73 HydrophobicContact CD2-CE1 4.21Å; F66-F73 AromaticContact CD2-CE2 3.99Å; F66-F73 HydrophobicContact CD2-CE2 3.99Å; F66-F73 HydrophobicContact CD2-CG 4.21Å; F66-F73 HydrophobicContact CD2-CZ 4.07Å; F66-F73 HydrophobicContact CG-CD1 4.4Å; F66-F73 HydrophobicContact CG-CE1 4.24Å; F66-F73 HydrophobicContact CG-CZ 4.41Å; F73-A84 HydrophobicContact CB-CB 4.48Å; F73-W87 AromaticContact CD1-CE3 3.6Å; F73-W87 HydrophobicContact CD1-CE3 3.6Å; F73-W87 HydrophobicContact CD1-CZ3 4.1Å; F73-W87 HydrophobicContact CD2-CB 3.83Å; F73-W87 HydrophobicContact CD2-CE3 4.45Å; F73-W87 AromaticContact CE1-CE3 3.49Å; F73-W87 HydrophobicContact CE1-CE3 3.49Å; F73-W87 VanDerWaalsContact CE1-CE3 3.49Å; F73-W87 AromaticContact CE1-CZ3 3.88Å; F73-W87 HydrophobicContact CE1-CZ3 3.88Å; F73-W87 HydrophobicContact CE2-CB 4.1Å; F73-W87 HydrophobicContact CE2-CE3 4.4Å; F73-W87 HydrophobicContact CG-CB 4.25Å; F73-W87 HydrophobicContact CG-CE3 4.08Å; F73-W87 AromaticContact CZ-CE3 3.94Å; F73-W87 HydrophobicContact CZ-CE3 3.94Å; F73-N88 PolarHBondContact N-OD1 3.27Å; F73-N88 PolarHBondContact O-ND2 2.88Å; F73-L94 HydrophobicContact CD2-CD2 3.92Å; F73-L94 HydrophobicContact CE2-CD2 4.06Å
74	V	97.9	Very high	96.3	Very high	43 Å²	43	51.6 Å²	51.6	26%	0.261	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	126.4	-179.9	-177	0	0	0	0	108.5	L64 H65 L70 L72	L64-V74 CarbonylContact C-O 3.53Å; L64-V74 WeakPolarHBondContact CA-O 3.22Å; H65-V74 PolarHBondContact N-O 2.76Å; H65-V74 PolarHBondContact O-N 2.81Å; L70-V74 HydrophobicContact CD1-CG2 3.61Å; L72-V74 HydrophobicContact CD1-CG2 3.64Å
75	A	97.4	Very high	96.2	Very high	31 Å²	31	55.8 Å²	55.8	26%	0.256	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	137.7	171.1	0	0	0	0	0	110.4	G80 E81 A84	A75-G80 WeakPolarHBondContact CB-O 3.39Å; A75-E81 HydrophobicContact CB-CB 4.45Å; A75-E81 HydrophobicContact CB-CG 4.01Å; A75-A84 HydrophobicContact CB-CB 3.98Å
76	L	96.3	Very high	96.1	Very high	90 Å²	90	59.5 Å²	59.5	47%	0.471	32%	0.319	S	S	.	.	S	Bend	trans	-104	-22.8	172.9	-64.9	-177.2	0	0	0	112.4	E62 Y63	E62-L76 HydrophobicContact CB-CD1 4.01Å; E62-L76 HydrophobicContact CG-CD1 3.65Å; E62-L76 WeakPolarHBondContact O-CB 3.45Å; E62-L76 WeakPolarHBondContact OE1-CD1 3.37Å; Y63-L76 PolarHBondContact O-N 3.26Å
77	T	94.6	Very high	96.1	Very high	33 Å²	33	61.4 Å²	61.4	20%	0.202	33%	0.326	C	S	.	.	S	Bend	trans	-134.1	166.9	-179.8	72	0	0	0	0	110.6	E61 Y63 L79 G80 E81	E61-T77 HydrophobicContact CG-CG2 4.16Å; E61-T77 VanDerWaalsContact OE1-CG2 3.31Å; E61-T77 WeakPolarHBondContact OE1-CG2 3.33Å; Y63-T77 WeakPolarHBondContact CB-OG1 3.41Å; Y63-T77 PolarHBondContact O-N 3.13Å; T77-L79 PolarHBondContact O-N 2.86Å; T77-G80 PolarHBondContact O-N 2.88Å; T77-E81 PolarHBondContact O-N 3.45Å
78	E	93.1	Very high	96.1	Very high	170 Å²	170	63.3 Å²	63.3	79%	0.794	34%	0.336	S	S	*	.	H	α-helix	trans	-56.6	-33.1	177.3	-63.4	-174.8	176	0	0	112.6	G80 E81	E78-G80 VanDerWaalsContact C-N 3.29Å; E78-G80 PolarHBondContact O-N 3.33Å; E78-E81 PolarHBondContact O-N 2.94Å
79	L	91.1	Very high	96.1	Very high	101 Å²	101	69.3 Å²	69.3	53%	0.529	36%	0.359	S	S	.	.	H	α-helix	trans	-61.7	-38.7	175.5	-178.6	65.6	0	0	0	111.6	Y63 T77	Y63-L79 HydrophobicContact CD2-CD2 4.3Å; Y63-L79 HydrophobicContact CD2-CG 4.23Å; Y63-L79 HydrophobicContact CG-CD2 4.2Å; T77-L79 PolarHBondContact O-N 2.86Å
80	G	95.1	Very high	96.1	Very high	0 Å²	0	69.6 Å²	69.6	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-77.4	-18.4	-178.5	0	0	0	0	0	114.7	L64 A75 T77 E78 V82 D83 A84	L64-G80 WeakPolarHBondContact CD1-O 3.41Å; A75-G80 WeakPolarHBondContact CB-O 3.39Å; T77-G80 PolarHBondContact O-N 2.88Å; E78-G80 VanDerWaalsContact C-N 3.29Å; E78-G80 PolarHBondContact O-N 3.33Å; G80-V82 VanDerWaalsContact C-N 3.33Å; G80-V82 PolarHBondContact O-N 2.77Å; G80-D83 PolarHBondContact O-N 3.03Å; G80-A84 VanDerWaalsContact O-CB 3.29Å; G80-A84 WeakPolarHBondContact O-CB 3.19Å; G80-A84 PolarHBondContact O-N 3.34Å
81	E	96.9	Very high	96.1	Very high	127 Å²	127	69.5 Å²	69.5	59%	0.593	35%	0.353	S	S	*	.	H	α-helix	trans	-61.7	-42.7	-175.8	-69.1	-170.1	170.6	0	0	112.2	A75 T77 E78 A84 D85	A75-E81 HydrophobicContact CB-CB 4.45Å; A75-E81 HydrophobicContact CB-CG 4.01Å; T77-E81 PolarHBondContact O-N 3.45Å; E78-E81 PolarHBondContact O-N 2.94Å; E81-A84 PolarHBondContact O-N 3.24Å; E81-D85 WeakPolarHBondContact O-CB 3.39Å; E81-D85 PolarHBondContact O-N 2.86Å
82	V	95.5	Very high	96	Very high	103 Å²	103	73.6 Å²	73.6	62%	0.624	37%	0.373	S	S	*	.	H	α-helix	trans	-64.2	-46.4	179.7	-177.4	0	0	0	0	110.6	G80 Q86	G80-V82 VanDerWaalsContact C-N 3.33Å; G80-V82 PolarHBondContact O-N 2.77Å; V82-Q86 WeakPolarHBondContact O-CB 3.36Å; V82-Q86 PolarHBondContact O-N 3.1Å
83	D	95.4	Very high	95.9	Very high	42 Å²	42	72.9 Å²	72.9	23%	0.225	37%	0.369	C	S	.	.	H	α-helix	trans	-65.9	-44.6	178.8	-79.2	-20.2	0	0	0	111.4	Y63 L64 G80 Q86 W87	Y63-D83 WeakPolarHBondContact CE2-OD2 3.21Å; L64-D83 HydrophobicContact CD1-CB 3.58Å; G80-D83 PolarHBondContact O-N 3.03Å; D83-Q86 PolarHBondContact O-N 3.12Å; D83-W87 HydrophobicContact CB-CZ2 4.35Å; D83-W87 VanDerWaalsContact O-CB 3.23Å; D83-W87 WeakPolarHBondContact O-CB 2.88Å; D83-W87 PolarHBondContact O-N 2.96Å
84	A	97.1	Very high	95.8	Very high	8 Å²	8	73 Å²	73	7%	0.066	37%	0.37	C	S	.	.	H	α-helix	trans	-62.4	-46.3	179.7	0	0	0	0	0	111.5	L64 F73 A75 G80 E81 Q86 W87 N88	L64-A84 HydrophobicContact CD1-CB 3.77Å; F73-A84 HydrophobicContact CB-CB 4.48Å; A75-A84 HydrophobicContact CB-CB 3.98Å; G80-A84 VanDerWaalsContact O-CB 3.29Å; G80-A84 WeakPolarHBondContact O-CB 3.19Å; G80-A84 PolarHBondContact O-N 3.34Å; E81-A84 PolarHBondContact O-N 3.24Å; A84-Q86 PolarHBondContact O-N 3.26Å; A84-W87 PolarHBondContact O-N 3.33Å; A84-N88 WeakPolarHBondContact O-CB 3.31Å; A84-N88 PolarHBondContact O-N 3.41Å; A84-N88 PolarHBondContact O-ND2 2.71Å
85	D	96.2	Very high	95.7	Very high	87 Å²	87	76.1 Å²	76.1	47%	0.465	38%	0.382	S	S	.	.	H	α-helix	trans	-61.1	-44.1	176.8	178.7	64.1	0	0	0	111.5	E81 K89	E81-D85 WeakPolarHBondContact O-CB 3.39Å; E81-D85 PolarHBondContact O-N 2.86Å; D85-K89 WeakPolarHBondContact O-CD 3.3Å; D85-K89 VanDerWaalsContact O-CG 3.3Å; D85-K89 WeakPolarHBondContact O-CG 3.23Å; D85-K89 PolarHBondContact O-N 3.18Å; D85-K89 WeakPolarHBondContact OD1-CE 3.06Å; D85-K89 IonicContact OD1-NZ 2.7Å; D85-K89 PolarHBondContact OD1-NZ 3.15Å; D85-K89 IonicContact OD2-NZ 3.71Å; D85-K89 PolarHBondContact OD2-NZ 3.13Å
86	Q	95.9	Very high	95.5	Very high	102 Å²	102	78.5 Å²	78.5	48%	0.477	39%	0.393	S	S	.	.	H	α-helix	trans	-67.9	-43.4	178.9	-172.6	179.2	11.9	0	0	112.2	V82 D83 A84 K89	V82-Q86 WeakPolarHBondContact O-CB 3.36Å; V82-Q86 PolarHBondContact O-N 3.1Å; D83-Q86 PolarHBondContact O-N 3.12Å; A84-Q86 PolarHBondContact O-N 3.26Å; Q86-K89 PolarHBondContact O-N 3.28Å
87	W	96.9	Very high	95.5	Very high	40 Å²	40	75.3 Å²	75.3	15%	0.152	38%	0.378	C	S	.	.	H	α-helix	trans	-76.4	-33.3	-174.3	-65.2	15.1	0	0	0	111.6	F56 L64 F73 D83 A84 K89 R90	F56-W87 HydrophobicContact CD1-CH2 4.18Å; F56-W87 HydrophobicContact CD1-CZ3 4.42Å; F56-W87 HydrophobicContact CD2-CZ3 4.14Å; F56-W87 AromaticContact CE1-CH2 3.88Å; F56-W87 HydrophobicContact CE1-CH2 3.88Å; F56-W87 AromaticContact CE1-CZ3 3.97Å; F56-W87 HydrophobicContact CE1-CZ3 3.97Å; F56-W87 HydrophobicContact CE2-CH2 4.35Å; F56-W87 AromaticContact CE2-CZ3 3.66Å; F56-W87 HydrophobicContact CE2-CZ3 3.66Å; F56-W87 HydrophobicContact CG-CZ3 4.5Å; F56-W87 AromaticContact CZ-CH2 3.97Å; F56-W87 HydrophobicContact CZ-CH2 3.97Å; F56-W87 AromaticContact CZ-CZ3 3.56Å; F56-W87 HydrophobicContact CZ-CZ3 3.56Å; L64-W87 HydrophobicContact CD2-CE3 4.07Å; L64-W87 HydrophobicContact CD2-CZ3 3.69Å; F73-W87 AromaticContact CD1-CE3 3.6Å; F73-W87 HydrophobicContact CD1-CE3 3.6Å; F73-W87 HydrophobicContact CD1-CZ3 4.1Å; F73-W87 HydrophobicContact CD2-CB 3.83Å; F73-W87 HydrophobicContact CD2-CE3 4.45Å; F73-W87 AromaticContact CE1-CE3 3.49Å; F73-W87 HydrophobicContact CE1-CE3 3.49Å; F73-W87 VanDerWaalsContact CE1-CE3 3.49Å; F73-W87 AromaticContact CE1-CZ3 3.88Å; F73-W87 HydrophobicContact CE1-CZ3 3.88Å; F73-W87 HydrophobicContact CE2-CB 4.1Å; F73-W87 HydrophobicContact CE2-CE3 4.4Å; F73-W87 HydrophobicContact CG-CB 4.25Å; F73-W87 HydrophobicContact CG-CE3 4.08Å; F73-W87 AromaticContact CZ-CE3 3.94Å; F73-W87 HydrophobicContact CZ-CE3 3.94Å; D83-W87 HydrophobicContact CB-CZ2 4.35Å; D83-W87 VanDerWaalsContact O-CB 3.23Å; D83-W87 WeakPolarHBondContact O-CB 2.88Å; D83-W87 PolarHBondContact O-N 2.96Å; A84-W87 PolarHBondContact O-N 3.33Å; W87-K89 PolarHBondContact O-N 2.81Å; W87-R90 VanDerWaalsContact NE1-NH2 3.15Å; W87-R90 WeakPolarHBondContact O-CB 2.93Å; W87-R90 PolarHBondContact O-N 3.4Å; W87-R90 VanDerWaalsContact O-N 3.08Å
88	N	97.4	Very high	95.5	Very high	49 Å²	49	78.9 Å²	78.9	26%	0.262	39%	0.388	S	S	.	.	H	α-helix	trans	-68.8	-20.1	173.3	-72.4	-30.8	0	0	0	113.5	L72 F73 A84 R90 L94	L72-N88 WeakPolarHBondContact CB-OD1 3.45Å; F73-N88 PolarHBondContact N-OD1 3.27Å; F73-N88 PolarHBondContact O-ND2 2.88Å; A84-N88 WeakPolarHBondContact O-CB 3.31Å; A84-N88 PolarHBondContact O-N 3.41Å; A84-N88 PolarHBondContact O-ND2 2.71Å; N88-R90 VanDerWaalsContact C-N 3.34Å; N88-L94 WeakPolarHBondContact O-CD1 3.44Å
89	K	96.8	Very high	95.6	Very high	150 Å²	150	72.8 Å²	72.8	65%	0.652	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-14.9	171.9	-71.3	167.9	-174.1	166	0	112.9	D85 Q86 W87 L91	D85-K89 WeakPolarHBondContact O-CD 3.3Å; D85-K89 VanDerWaalsContact O-CG 3.3Å; D85-K89 WeakPolarHBondContact O-CG 3.23Å; D85-K89 PolarHBondContact O-N 3.18Å; D85-K89 WeakPolarHBondContact OD1-CE 3.06Å; D85-K89 IonicContact OD1-NZ 2.7Å; D85-K89 PolarHBondContact OD1-NZ 3.15Å; D85-K89 IonicContact OD2-NZ 3.71Å; D85-K89 PolarHBondContact OD2-NZ 3.13Å; Q86-K89 PolarHBondContact O-N 3.28Å; W87-K89 PolarHBondContact O-N 2.81Å; K89-L91 PolarHBondContact O-N 3.44Å
90	R	97.2	Very high	95.8	Very high	96 Å²	96	68.2 Å²	68.2	36%	0.362	34%	0.344	S	S	.	.			trans	-90.3	98.5	178.1	-75.2	-164.7	-70	-176	1.1	110.6	W87 N88 D92 L93 L94	W87-R90 VanDerWaalsContact NE1-NH2 3.15Å; W87-R90 WeakPolarHBondContact O-CB 2.93Å; W87-R90 PolarHBondContact O-N 3.4Å; W87-R90 VanDerWaalsContact O-N 3.08Å; N88-R90 VanDerWaalsContact C-N 3.34Å; R90-D92 VanDerWaalsContact C-N 3.3Å; R90-D92 WeakPolarHBondContact CB-OD1 3.25Å; R90-D92 PolarHBondContact O-N 2.68Å; R90-L93 HydrophobicContact CB-CB 4.16Å; R90-L93 HydrophobicContact CB-CD1 4.23Å; R90-L93 HydrophobicContact CB-CG 4.12Å; R90-L93 PolarHBondContact O-N 3.31Å; R90-L94 PolarHBondContact O-N 3.13Å; R90-L94 VanDerWaalsContact O-N 3.1Å
91	L	94.9	Very high	95.8	Very high	101 Å²	101	69.1 Å²	69.1	53%	0.529	35%	0.349	S	S	.	.	H	α-helix	trans	-62.1	-38.3	-177.1	-173.6	65.1	0	0	0	112.3	K89 L93 L94 E95	K89-L91 PolarHBondContact O-N 3.44Å; L91-L93 VanDerWaalsContact C-N 3.32Å; L91-L93 PolarHBondContact O-N 2.93Å; L91-L94 PolarHBondContact O-N 3.22Å; L91-E95 HydrophobicContact CD1-CG 4.1Å; L91-E95 HydrophobicContact CG-CG 4.14Å; L91-E95 WeakPolarHBondContact O-CB 3.32Å; L91-E95 WeakPolarHBondContact O-CG 3.4Å; L91-E95 PolarHBondContact O-N 2.84Å
92	D	95.8	Very high	95.6	Very high	95 Å²	95	67.9 Å²	67.9	51%	0.508	35%	0.347	S	S	.	.	H	α-helix	trans	-57	-43.5	176.4	59.7	-48.9	0	0	0	112.3	R90 T96	R90-D92 VanDerWaalsContact C-N 3.3Å; R90-D92 WeakPolarHBondContact CB-OD1 3.25Å; R90-D92 PolarHBondContact O-N 2.68Å; D92-T96 WeakPolarHBondContact O-CB 3.47Å; D92-T96 PolarHBondContact O-N 3.42Å; D92-T96 VanDerWaalsContact O-N 3.07Å; D92-T96 PolarHBondContact O-OG1 3.03Å
93	L	94.4	Very high	95.3	Very high	52 Å²	52	68.4 Å²	68.4	27%	0.272	34%	0.344	S	S	.	.	H	α-helix	trans	-71.3	-42.5	177.2	-69.4	-168.6	0	0	0	112.4	R90 L91 T96 S97	R90-L93 HydrophobicContact CB-CB 4.16Å; R90-L93 HydrophobicContact CB-CD1 4.23Å; R90-L93 HydrophobicContact CB-CG 4.12Å; R90-L93 PolarHBondContact O-N 3.31Å; L91-L93 VanDerWaalsContact C-N 3.32Å; L91-L93 PolarHBondContact O-N 2.93Å; L93-T96 PolarHBondContact O-N 3.1Å; L93-S97 VanDerWaalsContact O-CB 3.24Å; L93-S97 WeakPolarHBondContact O-CB 3.4Å; L93-S97 PolarHBondContact O-N 2.8Å; L93-S97 PolarHBondContact O-OG 3.5Å
94	L	95.4	Very high	95	Very high	12 Å²	12	69 Å²	69	6%	0.063	35%	0.348	C	S	.	.	H	α-helix	trans	-63.7	-44.9	178.1	-80.2	178.4	0	0	0	111.8	F66 L72 F73 N88 R90 L91 S97 R98	F66-L94 HydrophobicContact CE2-CD2 4.26Å; L72-L94 HydrophobicContact CB-CD2 4.25Å; F73-L94 HydrophobicContact CD2-CD2 3.92Å; F73-L94 HydrophobicContact CE2-CD2 4.06Å; N88-L94 WeakPolarHBondContact O-CD1 3.44Å; R90-L94 PolarHBondContact O-N 3.13Å; R90-L94 VanDerWaalsContact O-N 3.1Å; L91-L94 PolarHBondContact O-N 3.22Å; L94-S97 PolarHBondContact O-N 3.44Å; L94-R98 WeakPolarHBondContact O-CB 3.48Å; L94-R98 WeakPolarHBondContact O-CD 3.34Å; L94-R98 WeakPolarHBondContact O-CG 3.06Å; L94-R98 PolarHBondContact O-N 3.25Å
95	E	95.4	Very high	94.7	Very high	110 Å²	110	68.6 Å²	68.6	51%	0.514	35%	0.345	S	S	.	.	H	α-helix	trans	-63.1	-45.4	177.6	-74.1	-178.1	174.2	0	0	111.3	L91 S97 R98 A99	L91-E95 HydrophobicContact CD1-CG 4.1Å; L91-E95 HydrophobicContact CG-CG 4.14Å; L91-E95 WeakPolarHBondContact O-CB 3.32Å; L91-E95 WeakPolarHBondContact O-CG 3.4Å; L91-E95 PolarHBondContact O-N 2.84Å; E95-S97 PolarHBondContact O-N 3.24Å; E95-R98 PolarHBondContact O-N 3.06Å; E95-A99 VanDerWaalsContact O-CB 3.28Å; E95-A99 WeakPolarHBondContact O-CB 3.34Å; E95-A99 PolarHBondContact O-N 2.94Å
96	T	94.6	Very high	94.4	Very high	80 Å²	80	67.8 Å²	67.8	49%	0.491	34%	0.336	S	S	.	.	H	α-helix	trans	-62	-43.6	176.2	-56.2	0	0	0	0	111.4	D92 L93 A99 A100	D92-T96 WeakPolarHBondContact O-CB 3.47Å; D92-T96 PolarHBondContact O-N 3.42Å; D92-T96 VanDerWaalsContact O-N 3.07Å; D92-T96 PolarHBondContact O-OG1 3.03Å; L93-T96 PolarHBondContact O-N 3.1Å; T96-A99 PolarHBondContact O-N 2.83Å; T96-A100 PolarHBondContact O-N 3.41Å
97	S	94.8	Very high	93.8	Very high	23 Å²	23	66.2 Å²	66.2	16%	0.161	33%	0.328	C	S	.	.	H	α-helix	trans	-67.4	-38	179.9	-55.8	0	0	0	0	112	F66 L93 L94 E95 A100	F66-S97 VanDerWaalsContact CE1-O 3.27Å; F66-S97 WeakPolarHBondContact CE1-O 3.43Å; F66-S97 VanDerWaalsContact CZ-C 3.49Å; L93-S97 VanDerWaalsContact O-CB 3.24Å; L93-S97 WeakPolarHBondContact O-CB 3.4Å; L93-S97 PolarHBondContact O-N 2.8Å; L93-S97 PolarHBondContact O-OG 3.5Å; L94-S97 PolarHBondContact O-N 3.44Å; E95-S97 PolarHBondContact O-N 3.24Å; S97-A100 WeakPolarHBondContact O-CB 3.25Å; S97-A100 PolarHBondContact O-N 2.91Å
98	R	95.8	Very high	93.1	Very high	109 Å²	109	69.3 Å²	69.3	41%	0.411	35%	0.345	S	S	.	.	H	α-helix	trans	-66.5	-39.2	172.7	-71	165.5	-172.8	156	1.1	111.6	F66 G71 L94 E95 A100	F66-R98 HydrophobicContact CE2-CG 4.48Å; F66-R98 HydrophobicContact CZ-CG 3.94Å; G71-R98 VanDerWaalsContact O-CZ 3.25Å; G71-R98 PolarHBondContact O-NE 2.62Å; G71-R98 PolarHBondContact O-NH2 3Å; L94-R98 WeakPolarHBondContact O-CB 3.48Å; L94-R98 WeakPolarHBondContact O-CD 3.34Å; L94-R98 WeakPolarHBondContact O-CG 3.06Å; L94-R98 PolarHBondContact O-N 3.25Å; E95-R98 PolarHBondContact O-N 3.06Å; R98-A100 PolarHBondContact O-N 2.62Å
99	A	96	Very high	92.3	Very high	41 Å²	41	70.7 Å²	70.7	34%	0.339	35%	0.347	S	S	.	.	H	α-helix	trans	-66.9	-24.4	177.8	0	0	0	0	0	112.6	E95 T96 V101 N102 M103	E95-A99 VanDerWaalsContact O-CB 3.28Å; E95-A99 WeakPolarHBondContact O-CB 3.34Å; E95-A99 PolarHBondContact O-N 2.94Å; T96-A99 PolarHBondContact O-N 2.83Å; A99-V101 PolarHBondContact O-N 3.41Å; A99-V101 VanDerWaalsContact O-N 3.09Å; A99-N102 PolarHBondContact O-N 3.11Å; A99-M103 HydrophobicContact CB-SD 4.11Å; A99-M103 WeakPolarHBondContact O-CG 3.41Å; A99-M103 PolarHBondContact O-N 3.01Å
100	A	94.7	Very high	91.4	Very high	6 Å²	6	69.1 Å²	69.1	5%	0.05	34%	0.34	C	S	.	.	H	α-helix	trans	-52.3	-31.5	-179.6	0	0	0	0	0	114.1	F52 T96 S97 R98 N102 V104 C105	F52-A100 HydrophobicContact CD1-CB 3.48Å; F52-A100 VanDerWaalsContact CD1-CB 3.48Å; F52-A100 HydrophobicContact CE1-CB 3.23Å; F52-A100 HydrophobicContact CE2-CB 4.36Å; F52-A100 HydrophobicContact CG-CB 4.13Å; F52-A100 HydrophobicContact CZ-CB 3.71Å; T96-A100 PolarHBondContact O-N 3.41Å; S97-A100 WeakPolarHBondContact O-CB 3.25Å; S97-A100 PolarHBondContact O-N 2.91Å; R98-A100 PolarHBondContact O-N 2.62Å; A100-N102 PolarHBondContact O-N 3.34Å; A100-V104 HydrophobicContact CB-CG2 4.31Å; A100-V104 WeakPolarHBondContact O-CA 3.43Å; A100-V104 VanDerWaalsContact O-CB 3.28Å; A100-V104 WeakPolarHBondContact O-CB 3.39Å; A100-V104 PolarHBondContact O-N 3.47Å; A100-C105 PolarHBondContact O-N 3.32Å; A100-C105 VanDerWaalsContact O-N 3.07Å
101	V	94.5	Very high	90.4	Very high	19 Å²	19	68.9 Å²	68.9	12%	0.115	35%	0.345	C	S	.	.	I	π-helix	trans	-54.3	-43.7	173.5	176.9	0	0	0	0	111.3	V50 F52 A99 C105 R106	V50-V101 HydrophobicContact CB-CG1 3.85Å; V50-V101 HydrophobicContact CG1-CG1 3.89Å; F52-V101 HydrophobicContact CB-CG2 3.76Å; A99-V101 PolarHBondContact O-N 3.41Å; A99-V101 VanDerWaalsContact O-N 3.09Å; V101-C105 WeakPolarHBondContact O-CB 3.49Å; V101-R106 WeakPolarHBondContact O-CG 3.47Å; V101-R106 PolarHBondContact O-N 3.11Å
102	N	92.8	Very high	89.1	Confident	101 Å²	101	64.6 Å²	64.6	54%	0.54	33%	0.325	S	S	.	.	I	π-helix	trans	-89.7	-45.3	-177.7	-66.2	-31.6	0	0	0	112.1	A99 A100 R106	A99-N102 PolarHBondContact O-N 3.11Å; A100-N102 PolarHBondContact O-N 3.34Å; N102-R106 WeakPolarHBondContact OD1-CD 3.14Å; N102-R106 PolarHBondContact OD1-NE 3.37Å
103	M	88.9	Confident	87.9	Confident	114 Å²	114	61.7 Å²	61.7	56%	0.562	31%	0.314	S	S	*	.	I	π-helix	trans	-76.2	-29.5	-174.4	67.3	-178.3	-84.1	0	0	113.2	A99 Q107	A99-M103 HydrophobicContact CB-SD 4.11Å; A99-M103 WeakPolarHBondContact O-CG 3.41Å; A99-M103 PolarHBondContact O-N 3.01Å; M103-Q107 WeakPolarHBondContact O-CB 3.39Å
104	V	90	Very high	86.7	Confident	54 Å²	54	60.5 Å²	60.5	33%	0.327	31%	0.31	S	S	.	.	I	π-helix	trans	-104.8	-72.8	177.2	-173.8	0	0	0	0	109.1	A100 R106 Q107 E108	A100-V104 HydrophobicContact CB-CG2 4.31Å; A100-V104 WeakPolarHBondContact O-CA 3.43Å; A100-V104 VanDerWaalsContact O-CB 3.28Å; A100-V104 WeakPolarHBondContact O-CB 3.39Å; A100-V104 PolarHBondContact O-N 3.47Å; V104-R106 PolarHBondContact O-N 3.02Å; V104-Q107 PolarHBondContact O-N 2.84Å; V104-Q107 VanDerWaalsContact O-N 3.11Å; V104-E108 HydrophobicContact CG1-CG 4.13Å; V104-E108 WeakPolarHBondContact O-CB 3.31Å; V104-E108 WeakPolarHBondContact O-CG 3.35Å; V104-E108 PolarHBondContact O-N 2.81Å
105	C	90.6	Very high	85.2	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	32%	0.322	C	S	.	.	I	π-helix	trans	-59.2	-51.5	-166.1	-61.5	0	0	0	0	113.6	C41 F43 V50 F52 A100 V101 Q107 E108 Y109	C41-C105 HydrophobicContact CB-CB 3.66Å; C41-C105 WeakPolarHBondContact CB-SG 3.24Å; C41-C105 WeakPolarHBondContact SG-CA 3.42Å; C41-C105 WeakPolarHBondContact SG-CB 3.48Å; C41-C105 CovalentContact SG-SG 2.04Å; C41-C105 PolarHBondContact SG-SG 2.73Å; F43-C105 HydrophobicContact CE1-CB 3.99Å; F43-C105 WeakPolarHBondContact CE1-O 3.44Å; F43-C105 HydrophobicContact CZ-CB 3.83Å; F43-C105 VanDerWaalsContact CZ-O 3.25Å; F43-C105 WeakPolarHBondContact CZ-O 3.48Å; V50-C105 HydrophobicContact CG1-CB 3.58Å; F52-C105 WeakPolarHBondContact CD2-SG 3.44Å; A100-C105 PolarHBondContact O-N 3.32Å; A100-C105 VanDerWaalsContact O-N 3.07Å; V101-C105 WeakPolarHBondContact O-CB 3.49Å; C105-Q107 VanDerWaalsContact C-N 3.3Å; C105-Q107 PolarHBondContact O-N 3.27Å; C105-E108 PolarHBondContact O-N 2.87Å; C105-Y109 WeakPolarHBondContact O-CB 3.02Å; C105-Y109 PolarHBondContact O-N 3Å
106	R	89.5	Confident	83.6	Confident	70 Å²	70	60 Å²	60	26%	0.264	31%	0.309	S	S	.	.	I	π-helix	trans	-65.6	-34.8	179.6	-70.6	178.6	-172.1	-81.4	-12.3	112.6	T47 V50 V101 N102 V104 K110	T47-R106 PolarHBondContact O-NH1 2.79Å; T47-R106 PolarHBondContact O-NH2 2.9Å; V50-R106 HydrophobicContact CG2-CG 4.25Å; V101-R106 WeakPolarHBondContact O-CG 3.47Å; V101-R106 PolarHBondContact O-N 3.11Å; N102-R106 WeakPolarHBondContact OD1-CD 3.14Å; N102-R106 PolarHBondContact OD1-NE 3.37Å; V104-R106 PolarHBondContact O-N 3.02Å; R106-K110 WeakPolarHBondContact O-CG 3.37Å; R106-K110 PolarHBondContact O-N 3.4Å; R106-K110 VanDerWaalsContact O-N 3.15Å
107	Q	83.1	Confident	82.3	Confident	69 Å²	69	57.3 Å²	57.3	32%	0.322	29%	0.292	S	S	.	.	H	α-helix	trans	-69	-48.1	178.8	-172.4	62.6	8.5	0	0	110.7	M103 V104 C105 Y109 K110 L111	M103-Q107 WeakPolarHBondContact O-CB 3.39Å; V104-Q107 PolarHBondContact O-N 2.84Å; V104-Q107 VanDerWaalsContact O-N 3.11Å; C105-Q107 VanDerWaalsContact C-N 3.3Å; C105-Q107 PolarHBondContact O-N 3.27Å; Q107-Y109 VanDerWaalsContact C-N 3.3Å; Q107-Y109 PolarHBondContact O-N 3.48Å; Q107-K110 WeakPolarHBondContact O-CB 3.4Å; Q107-K110 PolarHBondContact O-N 2.81Å; Q107-K110 VanDerWaalsContact O-N 3.13Å; Q107-L111 PolarHBondContact O-N 2.77Å; Q107-L111 VanDerWaalsContact O-N 3.13Å
108	E	82.1	Confident	81.1	Confident	105 Å²	105	61.3 Å²	61.3	49%	0.491	31%	0.308	S	S	.	.	H	α-helix	trans	-62.9	-35.4	174.7	-67.3	-54.7	143.2	0	0	111.7	V104 C105 K110 L111 G112	V104-E108 HydrophobicContact CG1-CG 4.13Å; V104-E108 WeakPolarHBondContact O-CB 3.31Å; V104-E108 WeakPolarHBondContact O-CG 3.35Å; V104-E108 PolarHBondContact O-N 2.81Å; C105-E108 PolarHBondContact O-N 2.87Å; E108-K110 VanDerWaalsContact C-N 3.33Å; E108-K110 PolarHBondContact O-N 2.85Å; E108-L111 PolarHBondContact O-N 3.47Å; E108-G112 VanDerWaalsContact O-CA 3.25Å; E108-G112 WeakPolarHBondContact O-CA 3.28Å; E108-G112 PolarHBondContact O-N 2.7Å
109	Y	81.1	Confident	80.1	Confident	78 Å²	78	60.2 Å²	60.2	31%	0.306	30%	0.304	S	S	.	.	H	α-helix	trans	-62.5	-40.1	173.5	-172.7	-84.4	0	0	0	111.9	F43 G46 T47 C105 Q107 L111 G112 A113	F43-Y109 HydrophobicContact CB-CD2 4.26Å; F43-Y109 HydrophobicContact CB-CE2 4.14Å; F43-Y109 AromaticContact CD1-CD2 3.48Å; F43-Y109 HydrophobicContact CD1-CD2 3.48Å; F43-Y109 VanDerWaalsContact CD1-CD2 3.48Å; F43-Y109 HydrophobicContact CD1-CE2 4.14Å; F43-Y109 HydrophobicContact CD1-CG 4.09Å; F43-Y109 AromaticContact CD2-CD2 3.86Å; F43-Y109 HydrophobicContact CD2-CD2 3.86Å; F43-Y109 HydrophobicContact CD2-CE2 4.42Å; F43-Y109 AromaticContact CE1-CD2 3.7Å; F43-Y109 HydrophobicContact CE1-CD2 3.7Å; F43-Y109 AromaticContact CE1-CG 3.97Å; F43-Y109 HydrophobicContact CE1-CG 3.97Å; F43-Y109 HydrophobicContact CE2-CD2 4.03Å; F43-Y109 AromaticContact CG-CD2 3.58Å; F43-Y109 HydrophobicContact CG-CD2 3.58Å; F43-Y109 AromaticContact CG-CE2 3.98Å; F43-Y109 HydrophobicContact CG-CE2 3.98Å; F43-Y109 AromaticContact CZ-CD2 3.96Å; F43-Y109 HydrophobicContact CZ-CD2 3.96Å; F43-Y109 HydrophobicContact CZ-CG 4.34Å; G46-Y109 WeakPolarHBondContact CA-OH 3.23Å; T47-Y109 HydrophobicContact CG2-CD1 3.27Å; T47-Y109 HydrophobicContact CG2-CD2 4.3Å; T47-Y109 HydrophobicContact CG2-CE1 3.71Å; T47-Y109 HydrophobicContact CG2-CG 3.62Å; C105-Y109 WeakPolarHBondContact O-CB 3.02Å; C105-Y109 PolarHBondContact O-N 3Å; Q107-Y109 VanDerWaalsContact C-N 3.3Å; Q107-Y109 PolarHBondContact O-N 3.48Å; Y109-L111 VanDerWaalsContact C-N 3.34Å; Y109-G112 PolarHBondContact O-N 3.45Å; Y109-A113 HydrophobicContact CD1-CB 3.81Å; Y109-A113 HydrophobicContact CD2-CB 4.24Å; Y109-A113 HydrophobicContact CE1-CB 3.51Å; Y109-A113 HydrophobicContact CE2-CB 4Å; Y109-A113 HydrophobicContact CG-CB 4.16Å; Y109-A113 WeakPolarHBondContact O-CB 3.29Å; Y109-A113 PolarHBondContact O-N 2.85Å
110	K	78.4	Confident	79.3	Confident	116 Å²	116	61.7 Å²	61.7	50%	0.504	31%	0.307	S	S	.	.	H	α-helix	trans	-65.8	-38.6	177.4	-72.1	173.5	176	-171.9	0	112.3	R106 Q107 E108 P114 E193	R106-K110 WeakPolarHBondContact O-CG 3.37Å; R106-K110 PolarHBondContact O-N 3.4Å; R106-K110 VanDerWaalsContact O-N 3.15Å; Q107-K110 WeakPolarHBondContact O-CB 3.4Å; Q107-K110 PolarHBondContact O-N 2.81Å; Q107-K110 VanDerWaalsContact O-N 3.13Å; E108-K110 VanDerWaalsContact C-N 3.33Å; E108-K110 PolarHBondContact O-N 2.85Å; K110-P114 VanDerWaalsContact O-CD 3.23Å; K110-P114 WeakPolarHBondContact O-CD 3.44Å; K110-P114 VanDerWaalsContact O-CG 3.3Å; K110-P114 WeakPolarHBondContact O-CG 3.25Å; K110-E193 IonicContact NZ-OE1 3.32Å
111	L	75.3	Confident	78.7	Confident	92 Å²	92	66.7 Å²	66.7	48%	0.482	33%	0.332	S	S	.	.	H	α-helix	trans	-71.9	-42.2	176.4	-64.1	173.3	0	0	0	110.2	Q107 E108 Y109 F115	Q107-L111 PolarHBondContact O-N 2.77Å; Q107-L111 VanDerWaalsContact O-N 3.13Å; E108-L111 PolarHBondContact O-N 3.47Å; Y109-L111 VanDerWaalsContact C-N 3.34Å; L111-F115 VanDerWaalsContact C-CE1 3.42Å; L111-F115 WeakPolarHBondContact O-CD1 3.41Å; L111-F115 WeakPolarHBondContact O-CE1 3.29Å
112	G	67.3	Low	78.2	Confident	10 Å²	10	66.7 Å²	66.7	10%	0.103	33%	0.331	C	S	.	.	H	α-helix	trans	-87.2	-45	-165.6	0	0	0	0	0	118	E108 Y109 P114 F115 T116	E108-G112 VanDerWaalsContact O-CA 3.25Å; E108-G112 WeakPolarHBondContact O-CA 3.28Å; E108-G112 PolarHBondContact O-N 2.7Å; Y109-G112 PolarHBondContact O-N 3.45Å; G112-P114 VanDerWaalsContact C-CD 3.4Å; G112-P114 VanDerWaalsContact C-N 3.3Å; G112-F115 WeakPolarHBondContact O-CD2 3.39Å; G112-F115 VanDerWaalsContact O-CG 3.31Å; G112-F115 WeakPolarHBondContact O-CG 3.36Å; G112-F115 PolarHBondContact O-N 3.08Å; G112-F115 VanDerWaalsContact O-N 3.12Å; G112-T116 WeakPolarHBondContact O-CB 3.41Å; G112-T116 PolarHBondContact O-N 2.91Å; G112-T116 VanDerWaalsContact O-N 3.1Å; G112-T116 PolarHBondContact O-OG1 2.04Å
113	A	70.8	Confident	77.7	Confident	34 Å²	34	68.8 Å²	68.8	28%	0.281	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-58.2	-37.5	-179	0	0	0	0	0	112.9	Y109 F115 T116	Y109-A113 HydrophobicContact CD1-CB 3.81Å; Y109-A113 HydrophobicContact CD2-CB 4.24Å; Y109-A113 HydrophobicContact CE1-CB 3.51Å; Y109-A113 HydrophobicContact CE2-CB 4Å; Y109-A113 HydrophobicContact CG-CB 4.16Å; Y109-A113 WeakPolarHBondContact O-CB 3.29Å; Y109-A113 PolarHBondContact O-N 2.85Å; A113-F115 VanDerWaalsContact C-N 3.25Å; A113-F115 PolarHBondContact O-N 2.87Å; A113-T116 PolarHBondContact O-N 2.79Å
114	P	69.9	Low	77.6	Confident	28 Å²	28	65.6 Å²	65.6	18%	0.182	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-57.2	-34.5	175.2	-31.2	39.1	0	0	0	115.7	K110 G112 W131 W188	K110-P114 VanDerWaalsContact O-CD 3.23Å; K110-P114 WeakPolarHBondContact O-CD 3.44Å; K110-P114 VanDerWaalsContact O-CG 3.3Å; K110-P114 WeakPolarHBondContact O-CG 3.25Å; G112-P114 VanDerWaalsContact C-CD 3.4Å; G112-P114 VanDerWaalsContact C-N 3.3Å; P114-W131 WeakPolarHBondContact O-CH2 3.29Å; P114-W188 HydrophobicContact CB-CD2 3.54Å; P114-W188 HydrophobicContact CB-CE3 4.21Å; P114-W188 HydrophobicContact CB-CG 3.66Å; P114-W188 HydrophobicContact CB-CZ2 3.93Å; P114-W188 HydrophobicContact CG-CD2 4.35Å; P114-W188 HydrophobicContact CG-CG 4.42Å; P114-W188 HydrophobicContact CG-CZ2 4.12Å
115	F	62.7	Low	77.4	Confident	71 Å²	71	63.8 Å²	63.8	31%	0.311	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-100.1	1.6	-178.1	59	-114.3	0	0	0	113.4	L111 G112 A113 W131 M160 L161 M163	L111-F115 VanDerWaalsContact C-CE1 3.42Å; L111-F115 WeakPolarHBondContact O-CD1 3.41Å; L111-F115 WeakPolarHBondContact O-CE1 3.29Å; G112-F115 WeakPolarHBondContact O-CD2 3.39Å; G112-F115 VanDerWaalsContact O-CG 3.31Å; G112-F115 WeakPolarHBondContact O-CG 3.36Å; G112-F115 PolarHBondContact O-N 3.08Å; G112-F115 VanDerWaalsContact O-N 3.12Å; A113-F115 VanDerWaalsContact C-N 3.25Å; A113-F115 PolarHBondContact O-N 2.87Å; F115-W131 WeakPolarHBondContact O-CZ2 3.06Å; F115-M160 WeakPolarHBondContact O-CA 3.26Å; F115-L161 PolarHBondContact O-N 2.84Å; F115-M163 HydrophobicContact CB-SD 4.28Å
116	T	63.1	Low	77.2	Confident	41 Å²	41	69.4 Å²	69.4	25%	0.252	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	109.4	-179.3	-55.6	0	0	0	0	109	G112 A113 T158 M160	G112-T116 WeakPolarHBondContact O-CB 3.41Å; G112-T116 PolarHBondContact O-N 2.91Å; G112-T116 VanDerWaalsContact O-N 3.1Å; G112-T116 PolarHBondContact O-OG1 2.04Å; A113-T116 PolarHBondContact O-N 2.79Å; T116-T158 HydrophobicContact CG2-CG2 3.38Å; T116-M160 HydrophobicContact CG2-CG 3.84Å; T116-M160 HydrophobicContact CG2-SD 4.47Å
117	V	66.9	Low	77.3	Confident	22 Å²	22	67.8 Å²	67.8	13%	0.133	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	106.1	175.5	176.5	0	0	0	0	108.8	R119 W131 T158 V159 C173 V175	V117-R119 HydrophobicContact CG1-CG 4.42Å; V117-W131 HydrophobicContact CB-CZ2 4.25Å; V117-W131 HydrophobicContact CG2-CH2 3.65Å; V117-W131 HydrophobicContact CG2-CZ2 3.34Å; V117-T158 WeakPolarHBondContact O-CA 3.34Å; V117-V159 PolarHBondContact N-O 3.04Å; V117-V159 PolarHBondContact O-N 3.07Å; V117-C173 HydrophobicContact CB-CB 4.43Å; V117-C173 HydrophobicContact CG2-CB 3.32Å; V117-C173 WeakPolarHBondContact CG2-SG 3.33Å; V117-V175 HydrophobicContact CG1-CG2 4.46Å
118	E	69.8	Low	77.6	Confident	107 Å²	107	66.5 Å²	66.5	50%	0.5	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	129.5	171.6	-170.7	177.5	172.7	0	0	109.6	N120	E118-N120 WeakPolarHBondContact CG-OD1 3.46Å; E118-N120 PolarHBondContact OE1-ND2 3.28Å; E118-N120 PolarHBondContact OE1-OD1 2.89Å
119	R	75	Confident	78.1	Confident	86 Å²	86	63 Å²	63	33%	0.325	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	118.9	169.7	-72.1	-68.3	166.8	-162.4	-3.6	108.5	V117 F122 I127 Q156 T157	V117-R119 HydrophobicContact CG1-CG 4.42Å; R119-F122 HydrophobicContact CB-CD1 3.92Å; R119-F122 HydrophobicContact CB-CE1 3.91Å; R119-F122 WeakPolarHBondContact O-CE1 3.47Å; R119-I127 HydrophobicContact CB-CD1 4.16Å; R119-I127 HydrophobicContact CG-CD1 4.2Å; R119-Q156 CarbonylContact O-C 3.5Å; R119-Q156 WeakPolarHBondContact O-CA 3.45Å; R119-T157 HydrophobicContact CB-CG2 4.41Å; R119-T157 PolarHBondContact N-O 2.87Å; R119-T157 PolarHBondContact O-N 2.84Å
120	N	78.5	Confident	78.6	Confident	73 Å²	73	62.5 Å²	62.5	39%	0.39	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	158.5	178.4	-63.8	-15.8	0	0	0	110	E118 F122 Q156	E118-N120 WeakPolarHBondContact CG-OD1 3.46Å; E118-N120 PolarHBondContact OE1-ND2 3.28Å; E118-N120 PolarHBondContact OE1-OD1 2.89Å; N120-F122 VanDerWaalsContact C-N 3.32Å; N120-F122 PolarHBondContact O-N 2.94Å; N120-Q156 WeakPolarHBondContact OD1-CB 3.49Å
121	D	82.4	Confident	79.3	Confident	110 Å²	110	57.2 Å²	57.2	59%	0.588	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	57.9	34.8	168.3	-49.8	-31	0	0	0	115.3	N150 T154 F155	D121-N150 PolarHBondContact OD1-ND2 3.04Å; D121-T154 HydrophobicContact CB-CG2 4.49Å; D121-F155 PolarHBondContact N-O 2.97Å; D121-F155 VanDerWaalsContact N-O 3.13Å
122	F	84.3	Confident	80.1	Confident	20 Å²	20	54.5 Å²	54.5	9%	0.088	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	150.3	178.4	66.9	-91.6	0	0	0	113.1	R119 N120 I127 L147 F155 T157 H177	R119-F122 HydrophobicContact CB-CD1 3.92Å; R119-F122 HydrophobicContact CB-CE1 3.91Å; R119-F122 WeakPolarHBondContact O-CE1 3.47Å; N120-F122 VanDerWaalsContact C-N 3.32Å; N120-F122 PolarHBondContact O-N 2.94Å; F122-I127 HydrophobicContact CD1-CD1 4.25Å; F122-I127 HydrophobicContact CD2-CB 4.43Å; F122-I127 HydrophobicContact CD2-CD1 4.2Å; F122-I127 HydrophobicContact CE1-CD1 4Å; F122-I127 HydrophobicContact CE2-CB 3.82Å; F122-I127 HydrophobicContact CE2-CD1 3.96Å; F122-I127 HydrophobicContact CE2-CG1 4.47Å; F122-I127 HydrophobicContact CE2-CG2 3.72Å; F122-I127 HydrophobicContact CG-CD1 4.35Å; F122-I127 HydrophobicContact CZ-CB 4.24Å; F122-I127 HydrophobicContact CZ-CD1 3.86Å; F122-I127 HydrophobicContact CZ-CG2 3.75Å; F122-L147 HydrophobicContact CE2-CD2 3.94Å; F122-L147 HydrophobicContact CZ-CD2 3.79Å; F122-F155 WeakPolarHBondContact CD1-O 3.47Å; F122-F155 HydrophobicContact CD2-CB 4.23Å; F122-F155 HydrophobicContact CE1-CB 4.25Å; F122-F155 VanDerWaalsContact CE1-O 3.3Å; F122-F155 WeakPolarHBondContact CE1-O 3.3Å; F122-F155 HydrophobicContact CE2-CB 3.79Å; F122-F155 HydrophobicContact CZ-CB 3.79Å; F122-F155 PolarHBondContact N-O 3.37Å; F122-F155 PolarHBondContact O-N 2.88Å; F122-T157 HydrophobicContact CE1-CG2 3.92Å; F122-T157 HydrophobicContact CZ-CG2 3.83Å; F122-H177 AromaticContact CD2-CD2 3.85Å; F122-H177 AromaticContact CD2-NE2 3.61Å
123	Y	82.7	Confident	81.2	Confident	145 Å²	145	57.5 Å²	57.5	57%	0.569	29%	0.29	S	S	*	.	S	Bend	trans	-151.9	137.4	175.3	-177.7	-89.2	0	0	0	111.1	W153 F155 H177	Y123-W153 WeakPolarHBondContact CD2-O 3.47Å; Y123-F155 HydrophobicContact CD2-CD2 4.36Å; Y123-F155 AromaticContact CD2-CE2 3.93Å; Y123-F155 HydrophobicContact CD2-CE2 3.93Å; Y123-F155 HydrophobicContact CE2-CE2 4.29Å; Y123-H177 VanDerWaalsContact C-CE1 3.5Å; Y123-H177 PolarHBondContact O-CE1 3.47Å
124	P	87.1	Confident	82.1	Confident	47 Å²	47	60 Å²	60	31%	0.305	30%	0.299	S	S	.	.	S	Bend	cis	-74.1	171.2	2.3	31.8	-36.2	0	0	0	112.6	D126 H177 P178	P124-D126 PolarHBondContact O-N 3.06Å; P124-D126 VanDerWaalsContact O-N 3.14Å; P124-H177 PolarHBondContact O-NE2 3.18Å; P124-P178 HydrophobicContact CG-CB 4.23Å; P124-P178 HydrophobicContact CG-CG 4.12Å
125	G	84.4	Confident	82.9	Confident	16 Å²	16	61.6 Å²	61.6	17%	0.165	32%	0.32	C	S	.	.	S	Bend	trans	-68.6	-7	-177.5	0	0	0	0	0	115.2	I127 L147	G125-I127 PolarHBondContact O-N 3.42Å; G125-L147 WeakPolarHBondContact O-CD1 3.43Å; G125-L147 VanDerWaalsContact O-CD2 3.24Å; G125-L147 WeakPolarHBondContact O-CD2 3.32Å
126	D	87.8	Confident	84.3	Confident	118 Å²	118	65.6 Å²	65.6	63%	0.631	34%	0.339	S	S	*	.			trans	-70	110.3	174.4	-165.6	108.9	0	0	0	109.5	P124 H177 P178	P124-D126 PolarHBondContact O-N 3.06Å; P124-D126 VanDerWaalsContact O-N 3.14Å; D126-H177 PolarHBondContact O-CD2 2.79Å; D126-P178 HydrophobicContact CB-CG 4.36Å; D126-P178 WeakPolarHBondContact O-CD 3.41Å
127	I	90.3	Very high	85.8	Confident	35 Å²	35	66.9 Å²	66.9	18%	0.179	34%	0.343	C	S	.	.			trans	-142.6	138.1	-178.5	-167.9	170.6	0	0	0	109.5	R119 F122 G125 V129 L147 T157 V175	R119-I127 HydrophobicContact CB-CD1 4.16Å; R119-I127 HydrophobicContact CG-CD1 4.2Å; F122-I127 HydrophobicContact CD1-CD1 4.25Å; F122-I127 HydrophobicContact CD2-CB 4.43Å; F122-I127 HydrophobicContact CD2-CD1 4.2Å; F122-I127 HydrophobicContact CE1-CD1 4Å; F122-I127 HydrophobicContact CE2-CB 3.82Å; F122-I127 HydrophobicContact CE2-CD1 3.96Å; F122-I127 HydrophobicContact CE2-CG1 4.47Å; F122-I127 HydrophobicContact CE2-CG2 3.72Å; F122-I127 HydrophobicContact CG-CD1 4.35Å; F122-I127 HydrophobicContact CZ-CB 4.24Å; F122-I127 HydrophobicContact CZ-CD1 3.86Å; F122-I127 HydrophobicContact CZ-CG2 3.75Å; G125-I127 PolarHBondContact O-N 3.42Å; I127-V129 HydrophobicContact CD1-CG2 4.15Å; I127-V129 HydrophobicContact CG1-CG2 4.05Å; I127-L147 HydrophobicContact CG2-CD2 4.45Å; I127-T157 HydrophobicContact CD1-CG2 4.19Å; I127-T157 HydrophobicContact CG2-CG2 4.02Å; I127-V175 HydrophobicContact CD1-CG1 4.01Å; I127-V175 HydrophobicContact CG1-CG1 4.16Å
128	S	90.7	Very high	86.8	Confident	43 Å²	43	68.3 Å²	68.3	30%	0.301	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	118.7	175.4	163.2	0	0	0	0	108.6	V175 E176	S128-V175 WeakPolarHBondContact O-CA 3.47Å; S128-E176 PolarHBondContact N-O 3.45Å; S128-E176 PolarHBondContact O-N 3.07Å; S128-E176 PolarHBondContact OG-OE2 2.72Å
129	V	91.9	Very high	87.6	Confident	30 Å²	30	72.3 Å²	72.3	18%	0.182	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	121.8	-179.7	-175.9	0	0	0	0	108.2	I127 V159 C173 L174 V175	I127-V129 HydrophobicContact CD1-CG2 4.15Å; I127-V129 HydrophobicContact CG1-CG2 4.05Å; V129-V159 HydrophobicContact CB-CB 4.45Å; V129-V159 HydrophobicContact CB-CG2 3.88Å; V129-V159 HydrophobicContact CG1-CB 3.91Å; V129-V159 HydrophobicContact CG1-CG1 4.23Å; V129-V159 HydrophobicContact CG1-CG2 3.86Å; V129-V159 HydrophobicContact CG2-CG2 4.2Å; V129-C173 WeakPolarHBondContact CG1-SG 3.29Å; V129-L174 WeakPolarHBondContact CA-O 3.47Å; V129-V175 HydrophobicContact CG1-CG2 4.45Å; V129-V175 HydrophobicContact CG2-CG2 4.43Å
130	R	92	Very high	87.9	Confident	69 Å²	69	72.4 Å²	72.4	26%	0.26	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	136.5	-177.4	-65.6	-172	-73.8	144.9	-7.6	110.9	F132 E137 C173 L174 E176	R130-F132 HydrophobicContact CB-CE2 3.84Å; R130-F132 HydrophobicContact CB-CZ 4.5Å; R130-E137 IonicContact NH1-OE2 3.83Å; R130-E137 PolarHBondContact NH1-OE2 3.05Å; R130-C173 WeakPolarHBondContact O-CA 3.24Å; R130-L174 PolarHBondContact N-O 2.99Å; R130-L174 PolarHBondContact O-N 3.39Å; R130-E176 IonicContact CZ-OE1 3.76Å; R130-E176 IonicContact NH2-OE1 3.95Å; R130-E176 PolarHBondContact NH2-OE1 3.49Å; R130-E176 IonicContact NH2-OE2 3.83Å
131	W	91.9	Very high	88	Confident	5 Å²	5	70.3 Å²	70.3	2%	0.019	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	145.2	174.8	-82.3	102.8	0	0	0	111.1	P114 F115 V117 E137 E138 V142 L161 S172 C173	P114-W131 WeakPolarHBondContact O-CH2 3.29Å; F115-W131 WeakPolarHBondContact O-CZ2 3.06Å; V117-W131 HydrophobicContact CB-CZ2 4.25Å; V117-W131 HydrophobicContact CG2-CH2 3.65Å; V117-W131 HydrophobicContact CG2-CZ2 3.34Å; W131-E137 CarbonylContact O-C 3.43Å; W131-E137 WeakPolarHBondContact O-CA 3.36Å; W131-E138 HydrophobicContact CB-CB 4.36Å; W131-E138 PolarHBondContact O-N 3.39Å; W131-V142 HydrophobicContact CB-CG2 4.08Å; W131-V142 HydrophobicContact CG-CG2 4.3Å; W131-L161 HydrophobicContact CB-CD2 4.28Å; W131-L161 HydrophobicContact CD2-CB 3.98Å; W131-L161 HydrophobicContact CD2-CD2 4.19Å; W131-L161 HydrophobicContact CE3-CD2 4.14Å; W131-L161 HydrophobicContact CG-CB 4.09Å; W131-L161 HydrophobicContact CG-CD2 4.28Å; W131-L161 HydrophobicContact CZ2-CB 4.49Å; W131-S172 CarbonylContact C-O 3.56Å; W131-C173 HydrophobicContact CD2-CB 4.32Å; W131-C173 HydrophobicContact CE3-CB 4.15Å; W131-C173 HydrophobicContact CH2-CB 4.09Å; W131-C173 HydrophobicContact CZ2-CB 4.28Å; W131-C173 HydrophobicContact CZ3-CB 4.03Å
132	F	91.9	Very high	88.2	Confident	35 Å²	35	67.1 Å²	67.1	15%	0.154	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	137	174.5	-65.5	-100.5	0	0	0	109.8	R130 Q136 E137 Y171 S172 L174	R130-F132 HydrophobicContact CB-CE2 3.84Å; R130-F132 HydrophobicContact CB-CZ 4.5Å; F132-Q136 CarbonylContact C-O 3.59Å; F132-Q136 WeakPolarHBondContact CA-O 3.17Å; F132-E137 HydrophobicContact CD1-CB 4.05Å; F132-E137 HydrophobicContact CE1-CB 3.78Å; F132-E137 HydrophobicContact CE1-CG 4.27Å; F132-E137 HydrophobicContact CZ-CB 4.3Å; F132-E137 HydrophobicContact CZ-CG 4.3Å; F132-Y171 CarbonylContact O-C 3.59Å; F132-Y171 VanDerWaalsContact O-CA 3.28Å; F132-Y171 WeakPolarHBondContact O-CA 3.42Å; F132-S172 PolarHBondContact N-O 3.46Å; F132-S172 PolarHBondContact O-N 3.4Å; F132-L174 HydrophobicContact CD2-CB 4.22Å; F132-L174 HydrophobicContact CE2-CB 3.72Å; F132-L174 HydrophobicContact CE2-CD2 3.88Å; F132-L174 HydrophobicContact CE2-CG 4.47Å; F132-L174 HydrophobicContact CZ-CD2 4.18Å
133	R	90.2	Very high	88.2	Confident	73 Å²	73	72 Å²	72	28%	0.275	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	122	168.1	-178.3	-179.3	-177.2	-179.2	3.8	108.5	G135 Q136 D169 Y171	R133-G135 PolarHBondContact O-N 2.97Å; R133-G135 VanDerWaalsContact O-N 3.08Å; R133-Q136 PolarHBondContact N-O 3.1Å; R133-Q136 PolarHBondContact O-N 3.43Å; R133-D169 IonicContact CZ-OD2 3.2Å; R133-D169 IonicContact NE-OD1 2.8Å; R133-D169 IonicContact NE-OD2 2.75Å; R133-D169 PolarHBondContact NE-OD2 3.4Å; R133-D169 IonicContact NH2-OD1 2.85Å; R133-D169 IonicContact NH2-OD2 3.35Å; R133-D169 PolarHBondContact NH2-OD2 3.43Å; R133-Y171 HydrophobicContact CB-CD1 4.07Å; R133-Y171 HydrophobicContact CB-CE1 3.89Å; R133-Y171 HydrophobicContact CG-CD1 4.1Å; R133-Y171 HydrophobicContact CG-CE1 3.53Å; R133-Y171 PolarHBondContact NE-OH 2.94Å
134	N	89.9	Confident	88.4	Confident	86 Å²	86	68.3 Å²	68.3	46%	0.46	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.8	34.9	-178.4	-59	-33.8	0	0	0	113.2	Q136 D169 V170	N134-Q136 VanDerWaalsContact C-N 3.33Å; N134-Q136 PolarHBondContact O-N 3.34Å; N134-D169 PolarHBondContact ND2-OD1 3.22Å; N134-D169 WeakPolarHBondContact OD1-CA 3.15Å; N134-V170 PolarHBondContact N-O 3.47Å; N134-V170 PolarHBondContact OD1-N 2.7Å
135	G	88.4	Confident	88.2	Confident	61 Å²	61	69.9 Å²	69.9	63%	0.629	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.8	-3.2	-178.7	0	0	0	0	0	115.7	R133	R133-G135 PolarHBondContact O-N 2.97Å; R133-G135 VanDerWaalsContact O-N 3.08Å
136	Q	91.8	Very high	88.2	Confident	155 Å²	155	70.7 Å²	70.7	72%	0.724	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.3	135.5	173.4	-63.8	-169.7	-34	0	0	110.6	F132 R133 N134 E138	F132-Q136 CarbonylContact C-O 3.59Å; F132-Q136 WeakPolarHBondContact CA-O 3.17Å; R133-Q136 PolarHBondContact N-O 3.1Å; R133-Q136 PolarHBondContact O-N 3.43Å; N134-Q136 VanDerWaalsContact C-N 3.33Å; N134-Q136 PolarHBondContact O-N 3.34Å; Q136-E138 PolarHBondContact O-N 2.74Å
137	E	93.5	Very high	88.2	Confident	69 Å²	69	69.9 Å²	69.9	32%	0.322	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	125.4	-179.3	-169.9	175.8	131.9	0	0	110.5	R130 W131 F132 R139	R130-E137 IonicContact NH1-OE2 3.83Å; R130-E137 PolarHBondContact NH1-OE2 3.05Å; W131-E137 CarbonylContact O-C 3.43Å; W131-E137 WeakPolarHBondContact O-CA 3.36Å; F132-E137 HydrophobicContact CD1-CB 4.05Å; F132-E137 HydrophobicContact CE1-CB 3.78Å; F132-E137 HydrophobicContact CE1-CG 4.27Å; F132-E137 HydrophobicContact CZ-CB 4.3Å; F132-E137 HydrophobicContact CZ-CG 4.3Å; E137-R139 IonicContact OE1-CZ 2.76Å; E137-R139 IonicContact OE1-NE 3.93Å; E137-R139 PolarHBondContact OE1-NE 2.78Å; E137-R139 IonicContact OE1-NH2 2.97Å; E137-R139 PolarHBondContact OE1-NH2 2.63Å
138	E	88.8	Confident	88.2	Confident	51 Å²	51	71.3 Å²	71.3	24%	0.238	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	124.2	179.8	-167.5	60.4	-115.2	0	0	109.3	W131 Q136 S140 V142 L161	W131-E138 HydrophobicContact CB-CB 4.36Å; W131-E138 PolarHBondContact O-N 3.39Å; Q136-E138 PolarHBondContact O-N 2.74Å; E138-S140 PolarHBondContact OE1-OG 2.76Å; E138-V142 VanDerWaalsContact O-CG2 3.29Å; E138-V142 WeakPolarHBondContact O-CG2 3.28Å; E138-L161 HydrophobicContact CB-CD1 4.39Å; E138-L161 HydrophobicContact CG-CD1 3.61Å; E138-L161 HydrophobicContact CG-CD2 4.28Å
139	R	87.1	Confident	87.9	Confident	192 Å²	192	76.8 Å²	76.8	73%	0.725	41%	0.409	S	S	*	.			trans	-120.3	-30	178.7	-65.5	-174	175.5	-147	-1.9	112.2	E137 V142	E137-R139 IonicContact OE1-CZ 2.76Å; E137-R139 IonicContact OE1-NE 3.93Å; E137-R139 PolarHBondContact OE1-NE 2.78Å; E137-R139 IonicContact OE1-NH2 2.97Å; E137-R139 PolarHBondContact OE1-NH2 2.63Å; R139-V142 PolarHBondContact O-N 2.71Å
140	S	79.7	Confident	87.7	Confident	88 Å²	88	77.8 Å²	77.8	62%	0.615	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	130.6	171.3	9.7	0	0	0	0	109.5	E138 V142	E138-S140 PolarHBondContact OE1-OG 2.76Å; S140-V142 PolarHBondContact O-N 2.93Å
141	G	80.5	Confident	87.1	Confident	28 Å²	28	77.9 Å²	77.9	29%	0.289	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.1	3.9	178	0	0	0	0	0	115.1	M143 E162	G141-M143 PolarHBondContact O-N 2.65Å; G141-E162 PolarHBondContact O-N 2.85Å
142	V	86.8	Confident	86.8	Confident	44 Å²	44	82 Å²	82	27%	0.267	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	118.9	171.5	179.5	0	0	0	0	109.6	W131 E138 R139 S140 V159 M160 L161	W131-V142 HydrophobicContact CB-CG2 4.08Å; W131-V142 HydrophobicContact CG-CG2 4.3Å; E138-V142 VanDerWaalsContact O-CG2 3.29Å; E138-V142 WeakPolarHBondContact O-CG2 3.28Å; R139-V142 PolarHBondContact O-N 2.71Å; S140-V142 PolarHBondContact O-N 2.93Å; V142-V159 HydrophobicContact CG1-CG1 3.49Å; V142-V159 VanDerWaalsContact CG1-CG1 3.49Å; V142-M160 CarbonylContact C-O 3.49Å; V142-M160 WeakPolarHBondContact CA-O 3.48Å; V142-L161 HydrophobicContact CG2-CD1 3.76Å
143	M	85.6	Confident	86.3	Confident	121 Å²	121	89.6 Å²	89.6	60%	0.596	49%	0.485	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.1	131.1	179.4	-64.9	-64.2	-73.9	0	0	109.8	G141 V159 M160	G141-M143 PolarHBondContact O-N 2.65Å; M143-V159 CarbonylContact O-C 3.54Å; M143-V159 WeakPolarHBondContact O-CA 3.19Å; M143-M160 PolarHBondContact N-O 2.83Å; M143-M160 PolarHBondContact O-N 3.09Å
144	S	85.3	Confident	86.2	Confident	69 Å²	69	87.3 Å²	87.3	48%	0.483	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	140.7	175.4	178.3	0	0	0	0	110.4	G146 T158	S144-G146 PolarHBondContact O-N 3.01Å; S144-G146 PolarHBondContact OG-N 2.97Å; S144-G146 VanDerWaalsContact OG-N 3.08Å; S144-T158 WeakPolarHBondContact CA-O 3.4Å
145	T	83.3	Confident	86.2	Confident	80 Å²	80	84.4 Å²	84.4	49%	0.491	46%	0.463	S	S	.	.			trans	-70.5	-9.1	170	58.5	0	0	0	0	112.7	T158	T145-T158 PolarHBondContact N-O 3.09Å; T145-T158 PolarHBondContact OG1-N 3.34Å; T145-T158 PolarHBondContact OG1-O 3.31Å
146	G	85.3	Confident	86.2	Confident	33 Å²	33	84.4 Å²	84.4	34%	0.34	45%	0.447	S	S	.	.			trans	75.8	176.3	-169.6	0	0	0	0	0	112.8	S144 V148 T157	S144-G146 PolarHBondContact O-N 3.01Å; S144-G146 PolarHBondContact OG-N 2.97Å; S144-G146 VanDerWaalsContact OG-N 3.08Å; G146-V148 PolarHBondContact O-N 3.32Å; G146-T157 PolarHBondContact O-OG1 2.86Å
147	L	88.2	Confident	86	Confident	100 Å²	100	77.3 Å²	77.3	52%	0.524	41%	0.414	S	S	.	.			trans	-75.5	118.4	178.7	-85.4	150.3	0	0	0	111	F122 G125 I127 F155	F122-L147 HydrophobicContact CE2-CD2 3.94Å; F122-L147 HydrophobicContact CZ-CD2 3.79Å; G125-L147 WeakPolarHBondContact O-CD1 3.43Å; G125-L147 VanDerWaalsContact O-CD2 3.24Å; G125-L147 WeakPolarHBondContact O-CD2 3.32Å; I127-L147 HydrophobicContact CG2-CD2 4.45Å; L147-F155 HydrophobicContact CD2-CB 3.92Å; L147-F155 HydrophobicContact CD2-CD1 4.07Å; L147-F155 HydrophobicContact CD2-CG 4.15Å
148	V	88.5	Confident	85.7	Confident	65 Å²	65	75.1 Å²	75.1	39%	0.394	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	136	173.1	177.8	0	0	0	0	108.9	G146 F155 Q156	G146-V148 PolarHBondContact O-N 3.32Å; V148-F155 CarbonylContact O-C 3.46Å; V148-F155 VanDerWaalsContact O-CA 3.27Å; V148-F155 WeakPolarHBondContact O-CA 3.48Å; V148-Q156 HydrophobicContact CB-CG 3.58Å; V148-Q156 HydrophobicContact CG1-CG 3.93Å; V148-Q156 HydrophobicContact CG2-CG 4.49Å; V148-Q156 PolarHBondContact N-O 2.64Å; V148-Q156 PolarHBondContact O-N 2.95Å
149	R	85.8	Confident	85.7	Confident	158 Å²	158	73.1 Å²	73.1	60%	0.596	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.9	128.9	179.6	-176.1	-173.6	-66.2	-90.3	0.9	110	F155	R149-F155 HydrophobicContact CB-CD1 4.32Å; R149-F155 HydrophobicContact CB-CE1 4.24Å; R149-F155 HydrophobicContact CG-CE1 4.32Å
150	N	86.6	Confident	85.6	Confident	52 Å²	52	67.4 Å²	67.4	28%	0.278	38%	0.379	S	S	.	.			trans	-81.5	-17.2	-175.6	-68.9	-17	0	0	0	114.2	D121 D152 T154 Q156	D121-N150 PolarHBondContact OD1-ND2 3.04Å; N150-D152 VanDerWaalsContact C-N 3.35Å; N150-D152 VanDerWaalsContact CB-OD1 3.22Å; N150-D152 WeakPolarHBondContact CB-OD1 3.43Å; N150-T154 WeakPolarHBondContact CB-OG1 3.3Å; N150-T154 PolarHBondContact N-O 2.87Å; N150-T154 PolarHBondContact ND2-OG1 2.83Å; N150-Q156 PolarHBondContact OD1-NE2 2.95Å
151	G	79.6	Confident	85.9	Confident	70 Å²	70	63.5 Å²	63.5	72%	0.722	35%	0.351	S	S	*	.	S	Bend	trans	90.1	-4	-178.9	0	0	0	0	0	114.4
152	D	86.9	Confident	86	Confident	91 Å²	91	69.9 Å²	69.9	49%	0.487	37%	0.373	S	S	.	.	S	Bend	trans	-111.2	24.4	177.3	67.8	-12.1	0	0	0	112.6	N150 T154	N150-D152 VanDerWaalsContact C-N 3.35Å; N150-D152 VanDerWaalsContact CB-OD1 3.22Å; N150-D152 WeakPolarHBondContact CB-OD1 3.43Å; D152-T154 PolarHBondContact O-N 2.91Å; D152-T154 WeakPolarHBondContact OD1-CB 3.43Å; D152-T154 PolarHBondContact OD1-N 3.35Å; D152-T154 PolarHBondContact OD1-OG1 2.92Å; D152-T154 PolarHBondContact OD2-OG1 3.36Å
153	W	79.8	Confident	85.4	Confident	195 Å²	195	69.8 Å²	69.8	74%	0.739	37%	0.37	S	S	*	.	S	Bend	trans	72	1.8	-171.8	-56.4	83.7	0	0	0	116.1	Y123	Y123-W153 WeakPolarHBondContact CD2-O 3.47Å
154	T	88.8	Confident	84.9	Confident	25 Å²	25	71.1 Å²	71.1	15%	0.153	38%	0.378	C	S	.	.			trans	-100.7	166.8	175.3	73.3	0	0	0	0	112.8	D121 N150 D152	D121-T154 HydrophobicContact CB-CG2 4.49Å; N150-T154 WeakPolarHBondContact CB-OG1 3.3Å; N150-T154 PolarHBondContact N-O 2.87Å; N150-T154 PolarHBondContact ND2-OG1 2.83Å; D152-T154 PolarHBondContact O-N 2.91Å; D152-T154 WeakPolarHBondContact OD1-CB 3.43Å; D152-T154 PolarHBondContact OD1-N 3.35Å; D152-T154 PolarHBondContact OD1-OG1 2.92Å; D152-T154 PolarHBondContact OD2-OG1 3.36Å
155	F	89.2	Confident	84.3	Confident	25 Å²	25	71.1 Å²	71.1	11%	0.11	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	156.6	179	-62	-89.6	0	0	0	111.3	D121 F122 Y123 L147 V148 R149	D121-F155 PolarHBondContact N-O 2.97Å; D121-F155 VanDerWaalsContact N-O 3.13Å; F122-F155 WeakPolarHBondContact CD1-O 3.47Å; F122-F155 HydrophobicContact CD2-CB 4.23Å; F122-F155 HydrophobicContact CE1-CB 4.25Å; F122-F155 VanDerWaalsContact CE1-O 3.3Å; F122-F155 WeakPolarHBondContact CE1-O 3.3Å; F122-F155 HydrophobicContact CE2-CB 3.79Å; F122-F155 HydrophobicContact CZ-CB 3.79Å; F122-F155 PolarHBondContact N-O 3.37Å; F122-F155 PolarHBondContact O-N 2.88Å; Y123-F155 HydrophobicContact CD2-CD2 4.36Å; Y123-F155 AromaticContact CD2-CE2 3.93Å; Y123-F155 HydrophobicContact CD2-CE2 3.93Å; Y123-F155 HydrophobicContact CE2-CE2 4.29Å; L147-F155 HydrophobicContact CD2-CB 3.92Å; L147-F155 HydrophobicContact CD2-CD1 4.07Å; L147-F155 HydrophobicContact CD2-CG 4.15Å; V148-F155 CarbonylContact O-C 3.46Å; V148-F155 VanDerWaalsContact O-CA 3.27Å; V148-F155 WeakPolarHBondContact O-CA 3.48Å; R149-F155 HydrophobicContact CB-CD1 4.32Å; R149-F155 HydrophobicContact CB-CE1 4.24Å; R149-F155 HydrophobicContact CG-CE1 4.32Å
156	Q	89.2	Confident	84.1	Confident	61 Å²	61	73.4 Å²	73.4	29%	0.285	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	149.6	168.7	67.8	-179.1	-69.4	0	0	111.1	R119 N120 V148 N150	R119-Q156 CarbonylContact O-C 3.5Å; R119-Q156 WeakPolarHBondContact O-CA 3.45Å; N120-Q156 WeakPolarHBondContact OD1-CB 3.49Å; V148-Q156 HydrophobicContact CB-CG 3.58Å; V148-Q156 HydrophobicContact CG1-CG 3.93Å; V148-Q156 HydrophobicContact CG2-CG 4.49Å; V148-Q156 PolarHBondContact N-O 2.64Å; V148-Q156 PolarHBondContact O-N 2.95Å; N150-Q156 PolarHBondContact OD1-NE2 2.95Å
157	T	88.4	Confident	83.8	Confident	7 Å²	7	78.3 Å²	78.3	4%	0.043	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	143.3	171.8	-174.5	0	0	0	0	109.7	R119 F122 I127 G146	R119-T157 HydrophobicContact CB-CG2 4.41Å; R119-T157 PolarHBondContact N-O 2.87Å; R119-T157 PolarHBondContact O-N 2.84Å; F122-T157 HydrophobicContact CE1-CG2 3.92Å; F122-T157 HydrophobicContact CZ-CG2 3.83Å; I127-T157 HydrophobicContact CD1-CG2 4.19Å; I127-T157 HydrophobicContact CG2-CG2 4.02Å; G146-T157 PolarHBondContact O-OG1 2.86Å
158	T	87.1	Confident	83.4	Confident	23 Å²	23	76.1 Å²	76.1	14%	0.141	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	128.3	175.1	-57.7	0	0	0	0	109.1	T116 V117 S144 T145 M160	T116-T158 HydrophobicContact CG2-CG2 3.38Å; V117-T158 WeakPolarHBondContact O-CA 3.34Å; S144-T158 WeakPolarHBondContact CA-O 3.4Å; T145-T158 PolarHBondContact N-O 3.09Å; T145-T158 PolarHBondContact OG1-N 3.34Å; T145-T158 PolarHBondContact OG1-O 3.31Å; T158-M160 HydrophobicContact CG2-CG 4.25Å
159	V	89.1	Confident	83.3	Confident	8 Å²	8	73.6 Å²	73.6	5%	0.048	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	117.8	178.3	-173	0	0	0	0	109.1	V117 V129 V142 M143	V117-V159 PolarHBondContact N-O 3.04Å; V117-V159 PolarHBondContact O-N 3.07Å; V129-V159 HydrophobicContact CB-CB 4.45Å; V129-V159 HydrophobicContact CB-CG2 3.88Å; V129-V159 HydrophobicContact CG1-CB 3.91Å; V129-V159 HydrophobicContact CG1-CG1 4.23Å; V129-V159 HydrophobicContact CG1-CG2 3.86Å; V129-V159 HydrophobicContact CG2-CG2 4.2Å; V142-V159 HydrophobicContact CG1-CG1 3.49Å; V142-V159 VanDerWaalsContact CG1-CG1 3.49Å; M143-V159 CarbonylContact O-C 3.54Å; M143-V159 WeakPolarHBondContact O-CA 3.19Å
160	M	84.3	Confident	83.4	Confident	72 Å²	72	68.5 Å²	68.5	36%	0.355	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	144.6	-177.8	-65	175.5	-65.6	0	0	109.9	F115 T116 V142 M143 T158	F115-M160 WeakPolarHBondContact O-CA 3.26Å; T116-M160 HydrophobicContact CG2-CG 3.84Å; T116-M160 HydrophobicContact CG2-SD 4.47Å; V142-M160 CarbonylContact C-O 3.49Å; V142-M160 WeakPolarHBondContact CA-O 3.48Å; M143-M160 PolarHBondContact N-O 2.83Å; M143-M160 PolarHBondContact O-N 3.09Å; T158-M160 HydrophobicContact CG2-CG 4.25Å
161	L	85.6	Confident	83.5	Confident	6 Å²	6	66.1 Å²	66.1	3%	0.031	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	121.9	170.5	175.5	63.2	0	0	0	109.3	F115 W131 E138 V142 M163 Y171	F115-L161 PolarHBondContact O-N 2.84Å; W131-L161 HydrophobicContact CB-CD2 4.28Å; W131-L161 HydrophobicContact CD2-CB 3.98Å; W131-L161 HydrophobicContact CD2-CD2 4.19Å; W131-L161 HydrophobicContact CE3-CD2 4.14Å; W131-L161 HydrophobicContact CG-CB 4.09Å; W131-L161 HydrophobicContact CG-CD2 4.28Å; W131-L161 HydrophobicContact CZ2-CB 4.49Å; E138-L161 HydrophobicContact CB-CD1 4.39Å; E138-L161 HydrophobicContact CG-CD1 3.61Å; E138-L161 HydrophobicContact CG-CD2 4.28Å; V142-L161 HydrophobicContact CG2-CD1 3.76Å; L161-M163 HydrophobicContact CD2-CG 4.42Å; L161-M163 HydrophobicContact CD2-SD 3.79Å; L161-M163 HydrophobicContact CG-CB 4.36Å; L161-M163 HydrophobicContact CG-CG 4.17Å; L161-M163 HydrophobicContact CG-SD 4.13Å; L161-Y171 HydrophobicContact CD2-CD1 3.97Å; L161-Y171 HydrophobicContact CD2-CE1 4.28Å
162	E	82.4	Confident	84	Confident	162 Å²	162	64 Å²	64	76%	0.757	33%	0.333	S	S	*	.			trans	-74.6	120.7	170.3	-173.1	-179	-178	0	0	109.9	G141	G141-E162 PolarHBondContact O-N 2.85Å
163	M	73.6	Confident	84.2	Confident	42 Å²	42	60 Å²	60	21%	0.207	31%	0.312	C	S	.	.			trans	-161.9	156.8	-174.6	50.3	173	-79.5	0	0	113.4	F115 L161 P165 Y171 W188	F115-M163 HydrophobicContact CB-SD 4.28Å; L161-M163 HydrophobicContact CD2-CG 4.42Å; L161-M163 HydrophobicContact CD2-SD 3.79Å; L161-M163 HydrophobicContact CG-CB 4.36Å; L161-M163 HydrophobicContact CG-CG 4.17Å; L161-M163 HydrophobicContact CG-SD 4.13Å; M163-P165 HydrophobicContact CE-CB 3.66Å; M163-P165 HydrophobicContact CE-CG 4.26Å; M163-Y171 HydrophobicContact CE-CD1 3.83Å; M163-Y171 HydrophobicContact CE-CD2 3.73Å; M163-Y171 HydrophobicContact CE-CE1 3.34Å; M163-Y171 HydrophobicContact CE-CE2 3.24Å; M163-Y171 HydrophobicContact CE-CG 4Å; M163-Y171 WeakPolarHBondContact CE-OH 3.2Å; M163-Y171 HydrophobicContact SD-CD1 3.51Å; M163-Y171 VanDerWaalsContact SD-CD1 3.51Å; M163-Y171 HydrophobicContact SD-CD2 4.38Å; M163-Y171 HydrophobicContact SD-CE1 3.36Å; M163-Y171 WeakPolarHBondContact SD-CE1 3.27Å; M163-Y171 HydrophobicContact SD-CE2 4.26Å; M163-Y171 HydrophobicContact SD-CG 4.04Å; M163-W188 HydrophobicContact CE-CZ3 4.13Å
164	I	76.1	Confident	84.8	Confident	149 Å²	149	52.1 Å²	52.1	76%	0.764	28%	0.284	S	S	*	.			trans	-112.4	104.2	167.9	-58.3	170.7	0	0	0	106.7	E166	I164-E166 PolarHBondContact O-N 2.83Å
165	P	73.5	Confident	85	Confident	69 Å²	69	51.1 Å²	51.1	45%	0.448	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-69	127.2	-173.5	23.5	-30.6	0	0	0	112.1	M163 Y171 W188 A190	M163-P165 HydrophobicContact CE-CB 3.66Å; M163-P165 HydrophobicContact CE-CG 4.26Å; P165-Y171 HydrophobicContact CB-CE2 4.48Å; P165-W188 HydrophobicContact CB-CH2 3.98Å; P165-W188 HydrophobicContact CB-CZ3 4.16Å; P165-W188 HydrophobicContact CG-CH2 4.38Å; P165-A190 HydrophobicContact CB-CB 3.68Å
166	E	78.1	Confident	85.1	Confident	129 Å²	129	53 Å²	53	60%	0.603	29%	0.287	S	S	*	.	P	Polyproline II helix	trans	-96.8	148.5	171.5	-64.4	-175.2	-168	0	0	111.2	I164 G168 D169 A190	I164-E166 PolarHBondContact O-N 2.83Å; E166-G168 PolarHBondContact O-N 2.82Å; E166-G168 VanDerWaalsContact O-N 3.16Å; E166-D169 PolarHBondContact N-OD2 2.82Å; E166-D169 WeakPolarHBondContact O-CB 3.35Å; E166-D169 PolarHBondContact O-N 3.26Å; E166-A190 WeakPolarHBondContact O-CB 3.47Å
167	L	80.3	Confident	85.2	Confident	135 Å²	135	51.3 Å²	51.3	71%	0.707	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	122	-177.6	-176.7	67.7	0	0	0	110.8	S192	L167-S192 WeakPolarHBondContact CD1-OG 3.4Å
168	G	79.8	Confident	85.3	Confident	54 Å²	54	55 Å²	55	56%	0.557	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.3	-4.6	179.8	0	0	0	0	0	114.7	E166	E166-G168 PolarHBondContact O-N 2.82Å; E166-G168 VanDerWaalsContact O-N 3.16Å
169	D	85.3	Confident	85.2	Confident	13 Å²	13	56.5 Å²	56.5	7%	0.07	32%	0.324	C	S	.	.			trans	-66.1	138.3	169.4	-78.8	-30.5	0	0	0	111.6	R133 N134 E166 Y171 M189 A190	R133-D169 IonicContact CZ-OD2 3.2Å; R133-D169 IonicContact NE-OD1 2.8Å; R133-D169 IonicContact NE-OD2 2.75Å; R133-D169 PolarHBondContact NE-OD2 3.4Å; R133-D169 IonicContact NH2-OD1 2.85Å; R133-D169 IonicContact NH2-OD2 3.35Å; R133-D169 PolarHBondContact NH2-OD2 3.43Å; N134-D169 PolarHBondContact ND2-OD1 3.22Å; N134-D169 WeakPolarHBondContact OD1-CA 3.15Å; E166-D169 PolarHBondContact N-OD2 2.82Å; E166-D169 WeakPolarHBondContact O-CB 3.35Å; E166-D169 PolarHBondContact O-N 3.26Å; D169-Y171 HydrophobicContact CB-CD2 4.11Å; D169-Y171 HydrophobicContact CB-CE2 3.27Å; D169-Y171 PolarHBondContact OD2-OH 2.96Å; D169-M189 WeakPolarHBondContact O-CA 3.31Å; D169-A190 HydrophobicContact CB-CB 4.27Å; D169-A190 PolarHBondContact O-N 3.47Å
170	V	87.8	Confident	85.1	Confident	50 Å²	50	59.4 Å²	59.4	30%	0.303	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	116.5	173.5	-173.1	0	0	0	0	109	N134 A187 W188 M189	N134-V170 PolarHBondContact N-O 3.47Å; N134-V170 PolarHBondContact OD1-N 2.7Å; V170-A187 HydrophobicContact CG1-CB 4.36Å; V170-W188 CarbonylContact C-O 3.59Å; V170-W188 WeakPolarHBondContact CA-O 3.32Å; V170-M189 HydrophobicContact CB-CG 4.39Å; V170-M189 HydrophobicContact CG1-CG 4.4Å; V170-M189 HydrophobicContact CG2-CG 3.76Å; V170-M189 HydrophobicContact CG2-SD 4.35Å
171	Y	88.2	Confident	85.2	Confident	3 Å²	3	62.2 Å²	62.2	1%	0.012	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	136.5	175.3	-62	-92.5	0	0	0	109.4	F132 R133 L161 M163 P165 D169 A187 W188 A190	F132-Y171 CarbonylContact O-C 3.59Å; F132-Y171 VanDerWaalsContact O-CA 3.28Å; F132-Y171 WeakPolarHBondContact O-CA 3.42Å; R133-Y171 HydrophobicContact CB-CD1 4.07Å; R133-Y171 HydrophobicContact CB-CE1 3.89Å; R133-Y171 HydrophobicContact CG-CD1 4.1Å; R133-Y171 HydrophobicContact CG-CE1 3.53Å; R133-Y171 PolarHBondContact NE-OH 2.94Å; L161-Y171 HydrophobicContact CD2-CD1 3.97Å; L161-Y171 HydrophobicContact CD2-CE1 4.28Å; M163-Y171 HydrophobicContact CE-CD1 3.83Å; M163-Y171 HydrophobicContact CE-CD2 3.73Å; M163-Y171 HydrophobicContact CE-CE1 3.34Å; M163-Y171 HydrophobicContact CE-CE2 3.24Å; M163-Y171 HydrophobicContact CE-CG 4Å; M163-Y171 WeakPolarHBondContact CE-OH 3.2Å; M163-Y171 HydrophobicContact SD-CD1 3.51Å; M163-Y171 VanDerWaalsContact SD-CD1 3.51Å; M163-Y171 HydrophobicContact SD-CD2 4.38Å; M163-Y171 HydrophobicContact SD-CE1 3.36Å; M163-Y171 WeakPolarHBondContact SD-CE1 3.27Å; M163-Y171 HydrophobicContact SD-CE2 4.26Å; M163-Y171 HydrophobicContact SD-CG 4.04Å; P165-Y171 HydrophobicContact CB-CE2 4.48Å; D169-Y171 HydrophobicContact CB-CD2 4.11Å; D169-Y171 HydrophobicContact CB-CE2 3.27Å; D169-Y171 PolarHBondContact OD2-OH 2.96Å; Y171-A187 CarbonylContact O-C 3.59Å; Y171-A187 VanDerWaalsContact O-CA 3.3Å; Y171-A187 WeakPolarHBondContact O-CA 3.31Å; Y171-W188 AromaticContact CD2-CE3 3.61Å; Y171-W188 HydrophobicContact CD2-CE3 3.61Å; Y171-W188 AromaticContact CD2-CZ3 3.6Å; Y171-W188 HydrophobicContact CD2-CZ3 3.6Å; Y171-W188 HydrophobicContact CE2-CE3 4.45Å; Y171-W188 AromaticContact CE2-CZ3 3.99Å; Y171-W188 HydrophobicContact CE2-CZ3 3.99Å; Y171-W188 HydrophobicContact CG-CE3 4.25Å; Y171-W188 HydrophobicContact CG-CZ3 4.48Å; Y171-W188 PolarHBondContact N-O 3.24Å; Y171-W188 PolarHBondContact O-N 3.27Å; Y171-A190 HydrophobicContact CE2-CB 4.49Å
172	S	91	Very high	85.4	Confident	26 Å²	26	71.7 Å²	71.7	18%	0.182	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	131.4	180	-38.4	0	0	0	0	109.9	W131 F132 V186	W131-S172 CarbonylContact C-O 3.56Å; F132-S172 PolarHBondContact N-O 3.46Å; F132-S172 PolarHBondContact O-N 3.4Å; S172-V186 CarbonylContact C-O 3.56Å; S172-V186 WeakPolarHBondContact CA-O 3.35Å
173	C	90.5	Very high	85.7	Confident	5 Å²	5	67.4 Å²	67.4	3%	0.034	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	121.8	168.8	177.7	0	0	0	0	109.6	V117 V129 R130 W131 S185 V186	V117-C173 HydrophobicContact CB-CB 4.43Å; V117-C173 HydrophobicContact CG2-CB 3.32Å; V117-C173 WeakPolarHBondContact CG2-SG 3.33Å; V129-C173 WeakPolarHBondContact CG1-SG 3.29Å; R130-C173 WeakPolarHBondContact O-CA 3.24Å; W131-C173 HydrophobicContact CD2-CB 4.32Å; W131-C173 HydrophobicContact CE3-CB 4.15Å; W131-C173 HydrophobicContact CH2-CB 4.09Å; W131-C173 HydrophobicContact CZ2-CB 4.28Å; W131-C173 HydrophobicContact CZ3-CB 4.03Å; C173-S185 CarbonylContact O-C 3.43Å; C173-S185 VanDerWaalsContact O-CA 3.23Å; C173-S185 WeakPolarHBondContact O-CA 3.47Å; C173-V186 PolarHBondContact N-O 2.69Å; C173-V186 PolarHBondContact O-N 2.97Å
174	L	92.8	Very high	86.5	Confident	31 Å²	31	68.2 Å²	68.2	16%	0.162	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	124	177	-175.7	70.4	0	0	0	109.5	V129 R130 F132 P183	V129-L174 WeakPolarHBondContact CA-O 3.47Å; R130-L174 PolarHBondContact N-O 2.99Å; R130-L174 PolarHBondContact O-N 3.39Å; F132-L174 HydrophobicContact CD2-CB 4.22Å; F132-L174 HydrophobicContact CE2-CB 3.72Å; F132-L174 HydrophobicContact CE2-CD2 3.88Å; F132-L174 HydrophobicContact CE2-CG 4.47Å; F132-L174 HydrophobicContact CZ-CD2 4.18Å; L174-P183 HydrophobicContact CD1-CB 3.69Å; L174-P183 HydrophobicContact CG-CB 4.35Å
175	V	92.1	Very high	87.1	Confident	3 Å²	3	65 Å²	65	2%	0.018	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	123.4	178.8	-177.2	0	0	0	0	109.6	V117 I127 S128 V129 P183 V184	V117-V175 HydrophobicContact CG1-CG2 4.46Å; I127-V175 HydrophobicContact CD1-CG1 4.01Å; I127-V175 HydrophobicContact CG1-CG1 4.16Å; S128-V175 WeakPolarHBondContact O-CA 3.47Å; V129-V175 HydrophobicContact CG1-CG2 4.45Å; V129-V175 HydrophobicContact CG2-CG2 4.43Å; V175-P183 WeakPolarHBondContact O-CA 3.33Å; V175-V184 PolarHBondContact N-O 2.83Å; V175-V184 PolarHBondContact O-N 2.96Å
176	E	93.1	Very high	87.7	Confident	66 Å²	66	65.8 Å²	65.8	31%	0.308	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	129	173.1	-72.6	168.4	-179.8	0	0	108.6	S128 R130 P183	S128-E176 PolarHBondContact N-O 3.45Å; S128-E176 PolarHBondContact O-N 3.07Å; S128-E176 PolarHBondContact OG-OE2 2.72Å; R130-E176 IonicContact CZ-OE1 3.76Å; R130-E176 IonicContact NH2-OE1 3.95Å; R130-E176 PolarHBondContact NH2-OE1 3.49Å; R130-E176 IonicContact NH2-OE2 3.83Å; E176-P183 HydrophobicContact CG-CB 3.88Å; E176-P183 HydrophobicContact CG-CG 3.95Å
177	H	91.2	Very high	88.1	Confident	24 Å²	24	63 Å²	63	11%	0.111	38%	0.384	C	S	.	.			trans	-152.4	139.3	-177.2	-176.2	-94.9	0	0	0	110.1	F122 Y123 P124 D126 G179 L180	F122-H177 AromaticContact CD2-CD2 3.85Å; F122-H177 AromaticContact CD2-NE2 3.61Å; Y123-H177 VanDerWaalsContact C-CE1 3.5Å; Y123-H177 PolarHBondContact O-CE1 3.47Å; P124-H177 PolarHBondContact O-NE2 3.18Å; D126-H177 PolarHBondContact O-CD2 2.79Å; H177-G179 PolarHBondContact CE1-N 2.75Å; H177-G179 WeakPolarHBondContact ND1-CA 3.45Å; H177-G179 PolarHBondContact ND1-N 3.37Å; H177-G179 PolarHBondContact O-N 3.38Å; H177-G179 VanDerWaalsContact O-N 3.16Å; H177-L180 HydrophobicContact CB-CD1 3.95Å; H177-L180 HydrophobicContact CB-CG 4.12Å; H177-L180 PolarHBondContact O-N 2.74Å
178	P	88.9	Confident	88.1	Confident	84 Å²	84	60.3 Å²	60.3	55%	0.545	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-25.4	-179.4	-26.9	35.6	0	0	0	115	P124 D126 L180	P124-P178 HydrophobicContact CG-CB 4.23Å; P124-P178 HydrophobicContact CG-CG 4.12Å; D126-P178 HydrophobicContact CB-CG 4.36Å; D126-P178 WeakPolarHBondContact O-CD 3.41Å; P178-L180 VanDerWaalsContact C-N 3.26Å
179	G	85.1	Confident	88.1	Confident	56 Å²	56	62.7 Å²	62.7	58%	0.577	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-9.4	175.2	0	0	0	0	0	113.8	H177	H177-G179 PolarHBondContact CE1-N 2.75Å; H177-G179 WeakPolarHBondContact ND1-CA 3.45Å; H177-G179 PolarHBondContact ND1-N 3.37Å; H177-G179 PolarHBondContact O-N 3.38Å; H177-G179 VanDerWaalsContact O-N 3.16Å
180	L	86.7	Confident	87.3	Confident	68 Å²	68	62.5 Å²	62.5	36%	0.356	36%	0.362	S	S	.	.	S	Bend	trans	-104	127.4	178.8	-63.3	174	0	0	0	110.4	H177 P178 R182 V184	H177-L180 HydrophobicContact CB-CD1 3.95Å; H177-L180 HydrophobicContact CB-CG 4.12Å; H177-L180 PolarHBondContact O-N 2.74Å; P178-L180 VanDerWaalsContact C-N 3.26Å; L180-R182 PolarHBondContact O-N 3.29Å; L180-V184 HydrophobicContact CD1-CB 4.41Å; L180-V184 HydrophobicContact CD1-CG2 3.91Å; L180-V184 HydrophobicContact CD2-CG2 4.41Å
181	P	87.4	Confident	86.1	Confident	132 Å²	132	67.7 Å²	67.7	86%	0.857	38%	0.384	S	S	*	.	S	Bend	trans	-68.8	-19.7	179.5	27.2	-34.3	0	0	0	113
182	R	88.9	Confident	84.4	Confident	204 Å²	204	71.1 Å²	71.1	77%	0.77	41%	0.408	S	S	*	.	S	Bend	trans	-145.1	152.7	175.6	-64.1	-175.7	-171.5	151.5	3.4	109.9	L180	L180-R182 PolarHBondContact O-N 3.29Å
183	P	90.6	Very high	82.6	Confident	73 Å²	73	77 Å²	77	47%	0.474	43%	0.432	S	S	.	.			trans	-57.5	138.7	172.2	-21.4	32.5	0	0	0	111.1	L174 V175 E176	L174-P183 HydrophobicContact CD1-CB 3.69Å; L174-P183 HydrophobicContact CG-CB 4.35Å; V175-P183 WeakPolarHBondContact O-CA 3.33Å; E176-P183 HydrophobicContact CG-CB 3.88Å; E176-P183 HydrophobicContact CG-CG 3.95Å
184	V	90.1	Very high	80.9	Confident	59 Å²	59	85.1 Å²	85.1	36%	0.358	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	121.9	177.9	174.4	0	0	0	0	108.3	V175 L180	V175-V184 PolarHBondContact N-O 2.83Å; V175-V184 PolarHBondContact O-N 2.96Å; L180-V184 HydrophobicContact CD1-CB 4.41Å; L180-V184 HydrophobicContact CD1-CG2 3.91Å; L180-V184 HydrophobicContact CD2-CG2 4.41Å
185	S	88.2	Confident	79	Confident	81 Å²	81	85.9 Å²	85.9	57%	0.566	47%	0.472	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.2	132	175	61.9	0	0	0	0	111.4	C173	C173-S185 CarbonylContact O-C 3.43Å; C173-S185 VanDerWaalsContact O-CA 3.23Å; C173-S185 WeakPolarHBondContact O-CA 3.47Å
186	V	85.9	Confident	77.5	Confident	85 Å²	85	92.9 Å²	92.9	52%	0.515	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	125.6	170	-178.6	0	0	0	0	108	S172 C173	S172-V186 CarbonylContact C-O 3.56Å; S172-V186 WeakPolarHBondContact CA-O 3.35Å; C173-V186 PolarHBondContact N-O 2.69Å; C173-V186 PolarHBondContact O-N 2.97Å
187	A	86.4	Confident	76.1	Confident	70 Å²	70	95.4 Å²	95.4	58%	0.579	51%	0.509	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.3	139.1	178.6	0	0	0	0	0	111	V170 Y171	V170-A187 HydrophobicContact CG1-CB 4.36Å; Y171-A187 CarbonylContact O-C 3.59Å; Y171-A187 VanDerWaalsContact O-CA 3.3Å; Y171-A187 WeakPolarHBondContact O-CA 3.31Å
188	W	80.5	Confident	74.7	Confident	80 Å²	80	101.6 Å²	101.6	30%	0.303	54%	0.536	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	140.8	173.6	175.9	83.8	0	0	0	109.6	P114 M163 P165 V170 Y171 A190	P114-W188 HydrophobicContact CB-CD2 3.54Å; P114-W188 HydrophobicContact CB-CE3 4.21Å; P114-W188 HydrophobicContact CB-CG 3.66Å; P114-W188 HydrophobicContact CB-CZ2 3.93Å; P114-W188 HydrophobicContact CG-CD2 4.35Å; P114-W188 HydrophobicContact CG-CG 4.42Å; P114-W188 HydrophobicContact CG-CZ2 4.12Å; M163-W188 HydrophobicContact CE-CZ3 4.13Å; P165-W188 HydrophobicContact CB-CH2 3.98Å; P165-W188 HydrophobicContact CB-CZ3 4.16Å; P165-W188 HydrophobicContact CG-CH2 4.38Å; V170-W188 CarbonylContact C-O 3.59Å; V170-W188 WeakPolarHBondContact CA-O 3.32Å; Y171-W188 AromaticContact CD2-CE3 3.61Å; Y171-W188 HydrophobicContact CD2-CE3 3.61Å; Y171-W188 AromaticContact CD2-CZ3 3.6Å; Y171-W188 HydrophobicContact CD2-CZ3 3.6Å; Y171-W188 HydrophobicContact CE2-CE3 4.45Å; Y171-W188 AromaticContact CE2-CZ3 3.99Å; Y171-W188 HydrophobicContact CE2-CZ3 3.99Å; Y171-W188 HydrophobicContact CG-CE3 4.25Å; Y171-W188 HydrophobicContact CG-CZ3 4.48Å; Y171-W188 PolarHBondContact N-O 3.24Å; Y171-W188 PolarHBondContact O-N 3.27Å; W188-A190 VanDerWaalsContact CH2-CA 3.43Å; W188-A190 HydrophobicContact CH2-CB 3.87Å; W188-A190 HydrophobicContact CZ3-CB 3.88Å
189	M	79.3	Confident	73.6	Confident	104 Å²	104	101.8 Å²	101.8	51%	0.512	53%	0.532	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	136.4	173.6	-87.5	178.5	-56.8	0	0	110	D169 V170 Q191	D169-M189 WeakPolarHBondContact O-CA 3.31Å; V170-M189 HydrophobicContact CB-CG 4.39Å; V170-M189 HydrophobicContact CG1-CG 4.4Å; V170-M189 HydrophobicContact CG2-CG 3.76Å; V170-M189 HydrophobicContact CG2-SD 4.35Å; M189-Q191 VanDerWaalsContact C-N 3.35Å; M189-Q191 PolarHBondContact O-N 2.85Å
190	A	68.6	Low	73.2	Confident	8 Å²	8	103.9 Å²	103.9	7%	0.066	53%	0.529	C	S	.	.			trans	-63.4	96.4	166.9	0	0	0	0	0	109.7	P165 E166 D169 Y171 W188	P165-A190 HydrophobicContact CB-CB 3.68Å; E166-A190 WeakPolarHBondContact O-CB 3.47Å; D169-A190 HydrophobicContact CB-CB 4.27Å; D169-A190 PolarHBondContact O-N 3.47Å; Y171-A190 HydrophobicContact CE2-CB 4.49Å; W188-A190 VanDerWaalsContact CH2-CA 3.43Å; W188-A190 HydrophobicContact CH2-CB 3.87Å; W188-A190 HydrophobicContact CZ3-CB 3.88Å
191	Q	61.9	Low	72.7	Confident	160 Å²	160	104.2 Å²	104.2	75%	0.748	54%	0.537	S	S	*	.			trans	-89.4	130.1	173.4	-68.3	-174.6	-21.7	0	0	109	M189 E193	M189-Q191 VanDerWaalsContact C-N 3.35Å; M189-Q191 PolarHBondContact O-N 2.85Å; Q191-E193 PolarHBondContact O-N 3.24Å
192	S	53.2	Low	72.4	Confident	75 Å²	75	99.8 Å²	99.8	52%	0.524	52%	0.515	S	S	.	.			trans	-72.1	117.7	163.4	55.8	0	0	0	0	108.4	L167 Y194	L167-S192 WeakPolarHBondContact CD1-OG 3.4Å; S192-Y194 PolarHBondContact O-N 2.87Å
193	E	52.8	Low	72.3	Confident	148 Å²	148	92.3 Å²	92.3	69%	0.692	50%	0.497	S	S	*	.			trans	-71.2	20.2	167.4	-114.3	-168.6	171.8	0	0	111.8	K110 Q191 S195	K110-E193 IonicContact NZ-OE1 3.32Å; Q191-E193 PolarHBondContact O-N 3.24Å; E193-S195 VanDerWaalsContact C-N 3.27Å; E193-S195 PolarHBondContact O-N 3.38Å
194	Y	54.4	Low	72.1	Confident	176 Å²	176	92.5 Å²	92.5	69%	0.69	50%	0.497	S	S	*	.			trans	-79.8	82.1	173.8	-147	-96.8	0	0	0	109.3	S192 W196 I199	S192-Y194 PolarHBondContact O-N 2.87Å; Y194-W196 PolarHBondContact O-N 2.86Å; Y194-I199 HydrophobicContact CD1-CD1 4.17Å; Y194-I199 HydrophobicContact CE1-CD1 3.33Å
195	S	54.4	Low	72	Confident	48 Å²	48	92.7 Å²	92.7	34%	0.336	51%	0.505	S	S	.	.			trans	-67.5	77.7	179.9	-176.1	0	0	0	0	110.9	E193 E197 K198 I199	E193-S195 VanDerWaalsContact C-N 3.27Å; E193-S195 PolarHBondContact O-N 3.38Å; S195-E197 PolarHBondContact O-N 2.74Å; S195-E197 VanDerWaalsContact O-N 3.1Å; S195-K198 PolarHBondContact O-N 3.3Å; S195-K198 WeakPolarHBondContact OG-CG 3.36Å; S195-I199 PolarHBondContact O-N 3.47Å
196	W	60.7	Low	72.1	Confident	150 Å²	150	95.4 Å²	95.4	57%	0.568	51%	0.507	S	S	*	.	H	α-helix	trans	-49.3	-34.1	172.2	71.6	-86.2	0	0	0	111.9	Y194 K198 I199 L200	Y194-W196 PolarHBondContact O-N 2.86Å; W196-K198 VanDerWaalsContact C-N 3.3Å; W196-K198 PolarHBondContact O-N 3.47Å; W196-I199 PolarHBondContact O-N 3.37Å; W196-L200 HydrophobicContact CE3-CD1 4.2Å; W196-L200 HydrophobicContact CE3-CD2 4.28Å; W196-L200 HydrophobicContact CZ3-CD1 4.43Å; W196-L200 HydrophobicContact CZ3-CD2 3.77Å; W196-L200 WeakPolarHBondContact O-CB 3.47Å; W196-L200 PolarHBondContact O-N 3.07Å
197	E	62.1	Low	72.5	Confident	118 Å²	118	96.6 Å²	96.6	55%	0.551	51%	0.51	S	S	*	.	H	α-helix	trans	-51.3	-42.4	171.8	-73.9	-80.8	159	0	0	113.2	S195 S201	S195-E197 PolarHBondContact O-N 2.74Å; S195-E197 VanDerWaalsContact O-N 3.1Å; E197-S201 PolarHBondContact O-N 2.88Å; E197-S201 VanDerWaalsContact O-N 3.11Å
198	K	62	Low	72.9	Confident	154 Å²	154	98.5 Å²	98.5	67%	0.67	51%	0.51	S	S	*	.	H	α-helix	trans	-77.1	-36.5	-178.8	-74.6	179.5	-179.2	178.7	0	111.3	S195 W196 L200 S201 G202	S195-K198 PolarHBondContact O-N 3.3Å; S195-K198 WeakPolarHBondContact OG-CG 3.36Å; W196-K198 VanDerWaalsContact C-N 3.3Å; W196-K198 PolarHBondContact O-N 3.47Å; K198-L200 VanDerWaalsContact C-N 3.34Å; K198-S201 PolarHBondContact O-N 3.36Å; K198-S201 PolarHBondContact O-OG 3.48Å; K198-G202 PolarHBondContact O-N 2.95Å
199	I	67.3	Low	73.6	Confident	89 Å²	89	96.7 Å²	96.7	46%	0.456	52%	0.516	S	S	.	.	H	α-helix	trans	-66.6	-39.1	174	-62.4	175.7	0	0	0	110.3	Y194 S195 W196 S201 G202 A203	Y194-I199 HydrophobicContact CD1-CD1 4.17Å; Y194-I199 HydrophobicContact CE1-CD1 3.33Å; S195-I199 PolarHBondContact O-N 3.47Å; W196-I199 PolarHBondContact O-N 3.37Å; I199-S201 VanDerWaalsContact C-N 3.35Å; I199-S201 PolarHBondContact O-N 3.47Å; I199-G202 PolarHBondContact O-N 3.38Å; I199-A203 VanDerWaalsContact O-CB 3.31Å; I199-A203 WeakPolarHBondContact O-CB 3.29Å; I199-A203 PolarHBondContact O-N 2.83Å
200	L	75.8	Confident	74.3	Confident	99 Å²	99	95.4 Å²	95.4	52%	0.518	51%	0.511	S	S	.	.	H	α-helix	trans	-62.3	-42.4	175.5	-131.2	79.1	0	0	0	111.5	W196 K198 T204	W196-L200 HydrophobicContact CE3-CD1 4.2Å; W196-L200 HydrophobicContact CE3-CD2 4.28Å; W196-L200 HydrophobicContact CZ3-CD1 4.43Å; W196-L200 HydrophobicContact CZ3-CD2 3.77Å; W196-L200 WeakPolarHBondContact O-CB 3.47Å; W196-L200 PolarHBondContact O-N 3.07Å; K198-L200 VanDerWaalsContact C-N 3.34Å; L200-T204 WeakPolarHBondContact O-CB 3.48Å; L200-T204 PolarHBondContact O-N 3.3Å; L200-T204 PolarHBondContact O-OG1 3.01Å
201	S	77	Confident	75.6	Confident	75 Å²	75	98.7 Å²	98.7	52%	0.524	53%	0.53	S	S	.	.	H	α-helix	trans	-63.7	-41.2	175.6	76.5	0	0	0	0	112.4	E197 K198 I199 T204 A205	E197-S201 PolarHBondContact O-N 2.88Å; E197-S201 VanDerWaalsContact O-N 3.11Å; K198-S201 PolarHBondContact O-N 3.36Å; K198-S201 PolarHBondContact O-OG 3.48Å; I199-S201 VanDerWaalsContact C-N 3.35Å; I199-S201 PolarHBondContact O-N 3.47Å; S201-T204 PolarHBondContact O-N 2.83Å; S201-A205 PolarHBondContact O-N 3Å
202	G	80.4	Confident	77.1	Confident	39 Å²	39	96.1 Å²	96.1	40%	0.402	53%	0.525	S	S	.	.	H	α-helix	trans	-68.2	-43.2	178.9	0	0	0	0	0	112.5	K198 I199 T204 A205 F206	K198-G202 PolarHBondContact O-N 2.95Å; I199-G202 PolarHBondContact O-N 3.38Å; G202-T204 VanDerWaalsContact C-N 3.33Å; G202-T204 PolarHBondContact O-N 2.82Å; G202-A205 PolarHBondContact O-N 2.87Å; G202-F206 WeakPolarHBondContact O-CB 3.23Å; G202-F206 PolarHBondContact O-N 2.93Å
203	A	86.9	Confident	79.1	Confident	47 Å²	47	99.7 Å²	99.7	39%	0.388	53%	0.531	S	S	.	.	H	α-helix	trans	-64	-39.7	176.3	0	0	0	0	0	111.5	I199 F206 L207	I199-A203 VanDerWaalsContact O-CB 3.31Å; I199-A203 WeakPolarHBondContact O-CB 3.29Å; I199-A203 PolarHBondContact O-N 2.83Å; A203-F206 PolarHBondContact O-N 3.37Å; A203-L207 WeakPolarHBondContact O-CB 3.12Å; A203-L207 VanDerWaalsContact O-CG 3.25Å; A203-L207 WeakPolarHBondContact O-CG 3.37Å; A203-L207 PolarHBondContact O-N 2.79Å
204	T	86.1	Confident	81.1	Confident	77 Å²	77	97.8 Å²	97.8	47%	0.472	53%	0.525	S	S	.	.	H	α-helix	trans	-64.8	-44.6	177.2	-53.7	0	0	0	0	111.1	L200 S201 G202 L207 L208	L200-T204 WeakPolarHBondContact O-CB 3.48Å; L200-T204 PolarHBondContact O-N 3.3Å; L200-T204 PolarHBondContact O-OG1 3.01Å; S201-T204 PolarHBondContact O-N 2.83Å; G202-T204 VanDerWaalsContact C-N 3.33Å; G202-T204 PolarHBondContact O-N 2.82Å; T204-L207 PolarHBondContact O-N 2.96Å; T204-L208 HydrophobicContact CG2-CD1 4.29Å; T204-L208 VanDerWaalsContact O-CG 3.29Å; T204-L208 WeakPolarHBondContact O-CG 3.33Å; T204-L208 PolarHBondContact O-N 3.34Å
205	A	88.7	Confident	83.1	Confident	63 Å²	63	93.6 Å²	93.6	52%	0.521	52%	0.518	S	S	.	.	H	α-helix	trans	-64.3	-40.1	176.5	0	0	0	0	0	112.6	S201 G202 L208 G209	S201-A205 PolarHBondContact O-N 3Å; G202-A205 PolarHBondContact O-N 2.87Å; A205-L208 PolarHBondContact O-N 3.39Å; A205-G209 PolarHBondContact O-N 3.42Å
206	F	90.8	Very high	84.9	Confident	138 Å²	138	93.1 Å²	93.1	61%	0.605	52%	0.52	S	S	*	.	H	α-helix	trans	-66.3	-42.4	178.4	-171.5	-103.6	0	0	0	112.3	G202 A203 G209 L210	G202-F206 WeakPolarHBondContact O-CB 3.23Å; G202-F206 PolarHBondContact O-N 2.93Å; A203-F206 PolarHBondContact O-N 3.37Å; F206-G209 PolarHBondContact O-N 2.84Å; F206-L210 HydrophobicContact CD1-CD1 3.83Å; F206-L210 HydrophobicContact CD1-CG 4.39Å; F206-L210 HydrophobicContact CE1-CD1 3.44Å; F206-L210 VanDerWaalsContact CE1-CD1 3.44Å; F206-L210 HydrophobicContact CE1-CG 4.08Å; F206-L210 HydrophobicContact CZ-CD1 4.1Å; F206-L210 HydrophobicContact CZ-CG 4.35Å; F206-L210 PolarHBondContact O-N 3.4Å
207	L	94.3	Very high	86.5	Confident	111 Å²	111	87.7 Å²	87.7	58%	0.581	51%	0.508	S	S	*	.	H	α-helix	trans	-64.4	-41	175.7	-71.2	171.2	0	0	0	111.9	A203 T204 G209 L210 T211	A203-L207 WeakPolarHBondContact O-CB 3.12Å; A203-L207 VanDerWaalsContact O-CG 3.25Å; A203-L207 WeakPolarHBondContact O-CG 3.37Å; A203-L207 PolarHBondContact O-N 2.79Å; T204-L207 PolarHBondContact O-N 2.96Å; L207-G209 VanDerWaalsContact C-N 3.35Å; L207-L210 PolarHBondContact O-N 3.21Å; L207-T211 WeakPolarHBondContact O-CG2 3.39Å; L207-T211 PolarHBondContact O-N 2.84Å; L207-T211 VanDerWaalsContact O-N 3.1Å; L207-T211 PolarHBondContact O-OG1 2.89Å
208	L	94.5	Very high	88	Confident	110 Å²	110	85.7 Å²	85.7	58%	0.576	50%	0.503	S	S	*	.	H	α-helix	trans	-62.8	-41.3	173.6	-71.2	171.6	0	0	0	111.5	T204 A205 T211 V212	T204-L208 HydrophobicContact CG2-CD1 4.29Å; T204-L208 VanDerWaalsContact O-CG 3.29Å; T204-L208 WeakPolarHBondContact O-CG 3.33Å; T204-L208 PolarHBondContact O-N 3.34Å; A205-L208 PolarHBondContact O-N 3.39Å; L208-T211 PolarHBondContact O-N 3.26Å; L208-T211 PolarHBondContact O-OG1 3.4Å; L208-V212 WeakPolarHBondContact O-CG2 3.22Å; L208-V212 PolarHBondContact O-N 3.1Å
209	G	93.7	Very high	89.4	Confident	42 Å²	42	83.6 Å²	83.6	43%	0.433	50%	0.498	S	S	.	.	H	α-helix	trans	-61.6	-44.8	175.1	0	0	0	0	0	113.4	A205 F206 L207 T211 V212 F213	A205-G209 PolarHBondContact O-N 3.42Å; F206-G209 PolarHBondContact O-N 2.84Å; L207-G209 VanDerWaalsContact C-N 3.35Å; G209-T211 PolarHBondContact O-N 2.92Å; G209-V212 PolarHBondContact O-N 3.48Å; G209-F213 WeakPolarHBondContact O-CB 3.48Å; G209-F213 PolarHBondContact O-N 3.28Å
210	L	95.8	Very high	90.4	Very high	76 Å²	76	84.7 Å²	84.7	40%	0.398	50%	0.501	S	S	.	.	H	α-helix	trans	-62.9	-40	178.5	-78.2	175.6	0	0	0	112.7	F206 L207 F213 L214	F206-L210 HydrophobicContact CD1-CD1 3.83Å; F206-L210 HydrophobicContact CD1-CG 4.39Å; F206-L210 HydrophobicContact CE1-CD1 3.44Å; F206-L210 VanDerWaalsContact CE1-CD1 3.44Å; F206-L210 HydrophobicContact CE1-CG 4.08Å; F206-L210 HydrophobicContact CZ-CD1 4.1Å; F206-L210 HydrophobicContact CZ-CG 4.35Å; F206-L210 PolarHBondContact O-N 3.4Å; L207-L210 PolarHBondContact O-N 3.21Å; L210-F213 PolarHBondContact O-N 3.48Å; L210-L214 WeakPolarHBondContact O-CB 3.37Å; L210-L214 VanDerWaalsContact O-CG 3.3Å; L210-L214 WeakPolarHBondContact O-CG 3.49Å; L210-L214 PolarHBondContact O-N 3.33Å
211	T	94.3	Very high	90.9	Very high	78 Å²	78	85.1 Å²	85.1	48%	0.479	50%	0.503	S	S	.	.	H	α-helix	trans	-65.3	-43.6	178.4	54.9	0	0	0	0	111.9	L207 L208 G209 F213 L214 V215	L207-T211 WeakPolarHBondContact O-CG2 3.39Å; L207-T211 PolarHBondContact O-N 2.84Å; L207-T211 VanDerWaalsContact O-N 3.1Å; L207-T211 PolarHBondContact O-OG1 2.89Å; L208-T211 PolarHBondContact O-N 3.26Å; L208-T211 PolarHBondContact O-OG1 3.4Å; G209-T211 PolarHBondContact O-N 2.92Å; T211-F213 PolarHBondContact O-N 3.37Å; T211-L214 PolarHBondContact O-N 2.92Å; T211-V215 VanDerWaalsContact O-CG2 3.3Å; T211-V215 WeakPolarHBondContact O-CG2 3.45Å; T211-V215 PolarHBondContact O-N 3.3Å
212	V	95.2	Very high	91.4	Very high	106 Å²	106	88.7 Å²	88.7	64%	0.642	51%	0.51	S	S	*	.	H	α-helix	trans	-62.1	-43.2	175.3	173.6	0	0	0	0	111.2	L208 G209 V215 G216	L208-V212 WeakPolarHBondContact O-CG2 3.22Å; L208-V212 PolarHBondContact O-N 3.1Å; G209-V212 PolarHBondContact O-N 3.48Å; V212-V215 PolarHBondContact O-N 3.48Å; V212-G216 PolarHBondContact O-N 3.41Å
213	F	94.8	Very high	91.5	Very high	150 Å²	150	89.8 Å²	89.8	66%	0.658	52%	0.515	S	S	*	.	H	α-helix	trans	-63.2	-45.8	178.8	-176.4	-98.9	0	0	0	112.4	G209 L210 T211 G216 A217	G209-F213 WeakPolarHBondContact O-CB 3.48Å; G209-F213 PolarHBondContact O-N 3.28Å; L210-F213 PolarHBondContact O-N 3.48Å; T211-F213 PolarHBondContact O-N 3.37Å; F213-G216 PolarHBondContact O-N 3.22Å; F213-A217 WeakPolarHBondContact O-CB 3.38Å; F213-A217 PolarHBondContact O-N 2.98Å
214	L	95.1	Very high	91.2	Very high	108 Å²	108	92.4 Å²	92.4	57%	0.565	52%	0.519	S	S	*	.	H	α-helix	trans	-63.8	-42.6	178.8	-71.8	173.1	0	0	0	112.1	L210 T211 A217 V218	L210-L214 WeakPolarHBondContact O-CB 3.37Å; L210-L214 VanDerWaalsContact O-CG 3.3Å; L210-L214 WeakPolarHBondContact O-CG 3.49Å; L210-L214 PolarHBondContact O-N 3.33Å; T211-L214 PolarHBondContact O-N 2.92Å; L214-A217 PolarHBondContact O-N 3.06Å; L214-V218 WeakPolarHBondContact O-CG2 3.39Å; L214-V218 PolarHBondContact O-N 2.92Å
215	V	95.6	Very high	90.7	Very high	87 Å²	87	95.9 Å²	95.9	53%	0.527	53%	0.527	S	S	.	.	H	α-helix	trans	-62.6	-44.6	175.7	172.5	0	0	0	0	110.6	T211 V212 A217 V218 I219	T211-V215 VanDerWaalsContact O-CG2 3.3Å; T211-V215 WeakPolarHBondContact O-CG2 3.45Å; T211-V215 PolarHBondContact O-N 3.3Å; V212-V215 PolarHBondContact O-N 3.48Å; V215-A217 PolarHBondContact O-N 2.98Å; V215-V218 PolarHBondContact O-N 3.02Å; V215-I219 HydrophobicContact CG1-CD1 3.85Å; V215-I219 WeakPolarHBondContact O-CG1 3.47Å; V215-I219 PolarHBondContact O-N 3.06Å
216	G	93.2	Very high	89.8	Confident	38 Å²	38	95.5 Å²	95.5	39%	0.392	52%	0.524	S	S	.	.	H	α-helix	trans	-59	-45	175.5	0	0	0	0	0	112.8	V212 F213 V218 I219 H220	V212-G216 PolarHBondContact O-N 3.41Å; F213-G216 PolarHBondContact O-N 3.22Å; G216-V218 PolarHBondContact O-N 3.04Å; G216-I219 PolarHBondContact O-N 3.37Å; G216-H220 WeakPolarHBondContact O-CB 3.3Å; G216-H220 PolarHBondContact O-N 3.48Å
217	A	93.5	Very high	88.1	Confident	36 Å²	36	93.2 Å²	93.2	30%	0.298	53%	0.525	S	S	.	.	H	α-helix	trans	-62.1	-42.2	176.9	0	0	0	0	0	112.2	F213 L214 V215 H220 L221	F213-A217 WeakPolarHBondContact O-CB 3.38Å; F213-A217 PolarHBondContact O-N 2.98Å; L214-A217 PolarHBondContact O-N 3.06Å; V215-A217 PolarHBondContact O-N 2.98Å; A217-H220 PolarHBondContact O-N 3.48Å; A217-L221 WeakPolarHBondContact O-CB 3.18Å; A217-L221 VanDerWaalsContact O-CG 3.22Å; A217-L221 WeakPolarHBondContact O-CG 3.38Å; A217-L221 PolarHBondContact O-N 3.32Å
218	V	93.1	Very high	86.3	Confident	77 Å²	77	95.8 Å²	95.8	47%	0.467	54%	0.536	S	S	.	.	H	α-helix	trans	-64	-43.2	176.8	171.2	0	0	0	0	111.5	L214 V215 G216 L221 K222	L214-V218 WeakPolarHBondContact O-CG2 3.39Å; L214-V218 PolarHBondContact O-N 2.92Å; V215-V218 PolarHBondContact O-N 3.02Å; G216-V218 PolarHBondContact O-N 3.04Å; V218-L221 PolarHBondContact O-N 3.41Å; V218-K222 HydrophobicContact CG1-CD 4.42Å; V218-K222 WeakPolarHBondContact O-CB 3.39Å; V218-K222 WeakPolarHBondContact O-CG 3.11Å; V218-K222 PolarHBondContact O-N 3.45Å
219	I	91.6	Very high	84.5	Confident	109 Å²	109	97.9 Å²	97.9	56%	0.559	54%	0.543	S	S	*	.	H	α-helix	trans	-63.1	-44.8	177	-66.6	167.5	0	0	0	110.2	V215 G216 K222 A223	V215-I219 HydrophobicContact CG1-CD1 3.85Å; V215-I219 WeakPolarHBondContact O-CG1 3.47Å; V215-I219 PolarHBondContact O-N 3.06Å; G216-I219 PolarHBondContact O-N 3.37Å; I219-K222 PolarHBondContact O-N 3.45Å; I219-A223 WeakPolarHBondContact O-CB 3.38Å; I219-A223 PolarHBondContact O-N 2.8Å
220	H	88.1	Confident	82.4	Confident	112 Å²	112	101.7 Å²	101.7	52%	0.519	56%	0.559	S	S	.	*	H	α-helix	trans	-62.9	-44.2	178.5	-175.5	-91.4	0	0	0	112.3	G216 A217 K222 A223 Q224	G216-H220 WeakPolarHBondContact O-CB 3.3Å; G216-H220 PolarHBondContact O-N 3.48Å; A217-H220 PolarHBondContact O-N 3.48Å; H220-K222 VanDerWaalsContact C-N 3.35Å; H220-K222 PolarHBondContact O-N 3.34Å; H220-A223 PolarHBondContact O-N 2.89Å; H220-Q224 PolarHBondContact CE1-NE2 3.46Å; H220-Q224 VanDerWaalsContact CE1-NE2 3.27Å; H220-Q224 PolarHBondContact O-N 3.44Å
221	L	87.4	Confident	80.1	Confident	108 Å²	108	106.4 Å²	106.4	57%	0.565	58%	0.579	S	S	*	*	H	α-helix	trans	-64.5	-38	176.3	-71.7	170.3	0	0	0	112	A217 V218 K225	A217-L221 WeakPolarHBondContact O-CB 3.18Å; A217-L221 VanDerWaalsContact O-CG 3.22Å; A217-L221 WeakPolarHBondContact O-CG 3.38Å; A217-L221 PolarHBondContact O-N 3.32Å; V218-L221 PolarHBondContact O-N 3.41Å; L221-K225 WeakPolarHBondContact O-CB 3.5Å; L221-K225 PolarHBondContact O-N 3.08Å
222	K	86.4	Confident	77.6	Confident	151 Å²	151	109 Å²	109	66%	0.657	60%	0.596	S	S	*	*	H	α-helix	trans	-64.8	-39.7	173	-77	-175.2	176.9	-175	0	112	V218 I219 H220 K225 A226	V218-K222 HydrophobicContact CG1-CD 4.42Å; V218-K222 WeakPolarHBondContact O-CB 3.39Å; V218-K222 WeakPolarHBondContact O-CG 3.11Å; V218-K222 PolarHBondContact O-N 3.45Å; I219-K222 PolarHBondContact O-N 3.45Å; H220-K222 VanDerWaalsContact C-N 3.35Å; H220-K222 PolarHBondContact O-N 3.34Å; K222-K225 PolarHBondContact O-N 3.37Å; K222-A226 PolarHBondContact O-N 3.27Å
223	A	82	Confident	75	Confident	61 Å²	61	107.1 Å²	107.1	50%	0.504	60%	0.599	S	S	.	*	H	α-helix	trans	-66.8	-41.9	176.6	0	0	0	0	0	112.3	I219 H220 K225 A226 S227	I219-A223 WeakPolarHBondContact O-CB 3.38Å; I219-A223 PolarHBondContact O-N 2.8Å; H220-A223 PolarHBondContact O-N 2.89Å; A223-K225 VanDerWaalsContact C-N 3.33Å; A223-K225 PolarHBondContact O-N 3.47Å; A223-A226 PolarHBondContact O-N 3.05Å; A223-S227 PolarHBondContact O-N 3.34Å
224	Q	80.6	Confident	72.2	Confident	102 Å²	102	108 Å²	108	48%	0.477	61%	0.611	S	S	.	*	H	α-helix	trans	-61.6	-41.6	173.9	-76.2	-167.5	-28.9	0	0	111.9	H220 S227 M228	H220-Q224 PolarHBondContact CE1-NE2 3.46Å; H220-Q224 VanDerWaalsContact CE1-NE2 3.27Å; H220-Q224 PolarHBondContact O-N 3.44Å; Q224-S227 PolarHBondContact O-N 2.62Å; Q224-M228 PolarHBondContact O-N 3.26Å
225	K	77.2	Confident	69.4	Low	150 Å²	150	112.5 Å²	112.5	65%	0.652	63%	0.629	S	S	*	*	H	α-helix	trans	-63.3	-42.1	177.2	-165.8	173.4	-179.5	-179.7	0	112.1	L221 K222 A223 S227 M228 E229	L221-K225 WeakPolarHBondContact O-CB 3.5Å; L221-K225 PolarHBondContact O-N 3.08Å; K222-K225 PolarHBondContact O-N 3.37Å; A223-K225 VanDerWaalsContact C-N 3.33Å; A223-K225 PolarHBondContact O-N 3.47Å; K225-S227 VanDerWaalsContact C-N 3.32Å; K225-S227 PolarHBondContact O-N 2.85Å; K225-M228 PolarHBondContact O-N 2.96Å; K225-E229 PolarHBondContact O-N 3.07Å
226	A	68.1	Low	66.9	Low	55 Å²	55	112.2 Å²	112.2	46%	0.455	64%	0.635	S	S	.	*	H	α-helix	trans	-64.9	-33.7	175.7	0	0	0	0	0	113.2	K222 A223 E229 T230	K222-A226 PolarHBondContact O-N 3.27Å; A223-A226 PolarHBondContact O-N 3.05Å; A226-E229 PolarHBondContact O-N 3.33Å; A226-T230 PolarHBondContact O-OG1 3.33Å
227	S	56.8	Low	64.3	Low	90 Å²	90	116 Å²	116	63%	0.629	66%	0.656	S	S	*	*	H	α-helix	trans	-72.3	-33.2	176.1	-170.9	0	0	0	0	113.1	A223 Q224 K225 E229	A223-S227 PolarHBondContact O-N 3.34Å; Q224-S227 PolarHBondContact O-N 2.62Å; K225-S227 VanDerWaalsContact C-N 3.32Å; K225-S227 PolarHBondContact O-N 2.85Å; S227-E229 VanDerWaalsContact C-N 3.28Å; S227-E229 PolarHBondContact O-N 3.5Å
228	M	56.1	Low	61.7	Low	165 Å²	165	126.8 Å²	126.8	81%	0.813	69%	0.689	S	S	*	*	H	α-helix	trans	-71.5	-22	174.9	-84	170.1	74.9	0	0	112.8	Q224 K225	Q224-M228 PolarHBondContact O-N 3.26Å; K225-M228 PolarHBondContact O-N 2.96Å
229	E	56.7	Low	59.2	Low	154 Å²	154	127.2 Å²	127.2	72%	0.72	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.1	-8	-178.6	-135.2	160.9	178.8	0	0	113.4	K225 A226 S227	K225-E229 PolarHBondContact O-N 3.07Å; A226-E229 PolarHBondContact O-N 3.33Å; S227-E229 VanDerWaalsContact C-N 3.28Å; S227-E229 PolarHBondContact O-N 3.5Å
230	T	49	Very low	56.8	Low	123 Å²	123	130 Å²	130	76%	0.755	72%	0.716	S	S	*	*	S	Bend	trans	-100.9	19.9	-173.8	-51.2	0	0	0	0	114.6	A226	A226-T230 PolarHBondContact O-OG1 3.33Å
231	Q	47.8	Very low	54.6	Low	175 Å²	175	132.9 Å²	132.9	82%	0.818	73%	0.734	S	S	*	*			trans	-142.2	94.8	172.6	-143.5	169.4	-24.9	0	0	109.9
232	P	42.4	Very low	52.9	Low	131 Å²	131	132.8 Å²	132.8	85%	0.851	74%	0.74	S	S	*	*	S	Bend		-146.3	148.3	87.3	36	-18	0	0	0	115.5
233	G	39.6	Very low	51	Low	68 Å²	68	131.2 Å²	131.2	70%	0.701	75%	0.745	S	S	*	*			trans	117.9	94.5	157	0	0	0	0	0	115.5
234	N	35.3	Very low	48.9	Very low	169 Å²	169	137.4 Å²	137.4	90%	0.904	76%	0.763	S	S	*	*			trans	-166.4	72.1	145.2	-95.9	-17.5	0	0	0	109.9
235	E	37.8	Very low	47.7	Very low	201 Å²	201	137 Å²	137	94%	0.939	77%	0.769	S	S	*	*			trans	-118.5	66.9	162.6	-161.3	167.2	-153.3	0	0	107.4
236	A	43	Very low	46	Very low	81 Å²	81	144.3 Å²	144.3	67%	0.669	80%	0.795	S	S	*	*			trans	-165.7	136	166.3	0	0	0	0	0	109.3
237	S	38.5	Very low	44.8	Very low	118 Å²	118	148.8 Å²	148.8	83%	0.825	81%	0.812	S	S	*	*			trans	87.9	60.9	168.9	-48.8	0	0	0	0	117.8
238	R	39.2	Very low	44.2	Very low	262 Å²	262	151.8 Å²	151.8	99%	0.989	82%	0.822	S	S	*	*			trans	-143	74.2	137.6	-95.6	-167.2	-164.1	115.3	3.6	109.8
239	A	39.9	Very low	43.6	Very low	87 Å²	87	151.1 Å²	151.1	72%	0.719	82%	0.822	S	S	*	*			trans	-115.2	143.7	152.9	0	0	0	0	0	107.3
240	L	40.3	Very low	42.8	Very low	167 Å²	167	150.9 Å²	150.9	87%	0.874	83%	0.828	S	S	*	*			trans	89.8	99.3	167.9	-54.4	160.1	0	0	0	116.3
241	L	43.2	Very low	42.4	Very low	172 Å²	172	152.7 Å²	152.7	90%	0.901	83%	0.833	S	S	*	*				-163.4	144.8	114.1	-93.3	157.3	0	0	0	109.9
242	P	52	Low	42	Very low	106 Å²	106	151.2 Å²	151.2	69%	0.688	83%	0.834	S	S	*	*			trans	-93.9	173.8	-164.4	38.9	-35.6	0	0	0	113.9
243	P	46.4	Very low	42	Very low	119 Å²	119	152.6 Å²	152.6	77%	0.773	83%	0.833	S	S	*	*			trans	-89.1	150	179.7	35.4	-31.3	0	0	0	112.7
244	H	37.7	Very low	42.2	Very low	190 Å²	190	159.2 Å²	159.2	88%	0.88	84%	0.843	S	S	*	*			trans	-136.2	159.5	167.5	-102.7	-34.3	0	0	0	111.5
245	P	55.7	Low	42.8	Very low	93 Å²	93	158.3 Å²	158.3	60%	0.604	84%	0.838	S	S	*	*			trans	-111.8	160.1	-144.4	40.4	-29.8	0	0	0	113.4
246	Y	39.5	Very low	43.2	Very low	304 Å²	304	154.5 Å²	154.5	100%	1.192	83%	0.829	S	S	*	*				-171.4	0	123.6	-93.3	-68.2	0	0	0	108.6

Retrieved 246 of 246 residues in 148.2 ms (Link to these results)

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