A0A087YHX6_POEFO Loading...

CD302 molecule

AlphaFold DB , UniProt , Accession A0A087YHX6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 248 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	40.2	Very low	39.6	Very low	242 Å²	242	186.4 Å²	186.4	100%	1.192	87%	0.866	S	S	*	*				0	146.3	0	-149.2	101.9	169.9	0	0	107.4
2	E	35.1	Very low	40.2	Very low	177 Å²	177	182.6 Å²	182.6	83%	0.827	85%	0.848	S	S	*	*			trans	92	111.6	-177	-137.7	85.9	167.6	0	0	116.8
3	P	42.7	Very low	40.6	Very low	118 Å²	118	176.5 Å²	176.5	77%	0.766	84%	0.838	S	S	*	*			trans	-93.7	143.4	-179.4	35.9	-30	0	0	0	112.2	K5	P3-K5 PolarHBondContact O-N 3.43Å
4	R	38.1	Very low	41.1	Very low	254 Å²	254	172.9 Å²	172.9	96%	0.958	83%	0.826	S	S	*	*			trans	-71.1	115.4	169.3	-82.6	-168	-173.2	180	3.6	110.3	K6	R4-K6 PolarHBondContact O-N 3.29Å
5	K	39.7	Very low	41.3	Very low	208 Å²	208	172.5 Å²	172.5	90%	0.904	82%	0.82	S	S	*	*			trans	-57	123.9	169.2	-98.5	175.5	173.3	173.3	0	111.2	P3	P3-K5 PolarHBondContact O-N 3.43Å
6	K	41.8	Very low	41.3	Very low	208 Å²	208	169.9 Å²	169.9	90%	0.904	81%	0.812	S	S	*	*			trans	-72.7	120.6	161.7	-112.2	176.7	177.6	178.1	0	108.3	R4 E8	R4-K6 PolarHBondContact O-N 3.29Å; K6-E8 PolarHBondContact O-N 3.42Å
7	S	34.9	Very low	41.8	Very low	107 Å²	107	163.9 Å²	163.9	75%	0.748	79%	0.791	S	S	*	*			trans	-82.6	103.1	170.9	165.9	0	0	0	0	109.2	R9	S7-R9 PolarHBondContact O-N 3.2Å
8	E	42.4	Very low	42.1	Very low	190 Å²	190	159.8 Å²	159.8	89%	0.888	78%	0.781	S	S	*	*			trans	-76.9	109.5	173.7	-159.6	169.7	157.4	0	0	109.4	K6	K6-E8 PolarHBondContact O-N 3.42Å
9	R	39	Very low	42.3	Very low	236 Å²	236	157.4 Å²	157.4	89%	0.891	77%	0.772	S	S	*	*			trans	-84.9	113.7	172.9	-77	-170.8	-161.6	-175.7	5.9	109.6	S7	S7-R9 PolarHBondContact O-N 3.2Å
10	R	40.5	Very low	42.6	Very low	210 Å²	210	152.7 Å²	152.7	79%	0.792	76%	0.759	S	S	*	*			trans	-71	142.8	171.1	-130.6	176.5	-162.6	-175.3	4.3	111	Q12	R10-Q12 PolarHBondContact O-N 3.44Å
11	P	41.7	Very low	43.1	Very low	100 Å²	100	154 Å²	154	65%	0.649	76%	0.76	S	S	*	*			trans	-86.8	88.6	177.3	34	-29.5	0	0	0	109.9
12	Q	46.2	Very low	43.5	Very low	141 Å²	141	145.9 Å²	145.9	66%	0.659	73%	0.732	S	S	*	*			trans	-103.2	-1.2	173.6	-80.3	179.7	-46.9	0	0	113.6	R10	R10-Q12 PolarHBondContact O-N 3.44Å
13	S	45.6	Very low	44.1	Very low	103 Å²	103	144.1 Å²	144.1	72%	0.72	73%	0.728	S	S	*	*	S	Bend	trans	-86.2	-12.7	-172.5	-171.6	0	0	0	0	115.3
14	L	47.7	Very low	44.6	Very low	127 Å²	127	142.9 Å²	142.9	67%	0.665	72%	0.72	S	S	*	*	S	Bend	trans	-96.2	-19.2	-172.8	-70.6	168	0	0	0	113.9	S17	L14-S17 PolarHBondContact O-OG 3.37Å
15	F	43.9	Very low	45.4	Very low	166 Å²	166	136.4 Å²	136.4	73%	0.728	71%	0.709	S	S	*	*	H	α-helix	trans	-82.5	-23.2	-179.5	-73.3	-77.6	0	0	0	113.5
16	L	41.9	Very low	46	Very low	132 Å²	132	137.7 Å²	137.7	69%	0.691	71%	0.708	S	S	*	*	H	α-helix	trans	-79.8	-21	179.1	-82.2	149.8	0	0	0	113.3
17	S	49	Very low	46.3	Very low	67 Å²	67	134.3 Å²	134.3	47%	0.469	70%	0.699	S	S	.	*	H	α-helix	trans	-78.9	-26.2	176.4	70.5	0	0	0	0	113.1	L14	L14-S17 PolarHBondContact O-OG 3.37Å
18	C	47.1	Very low	46.9	Very low	90 Å²	90	140.6 Å²	140.6	61%	0.608	71%	0.707	S	S	*	*	H	α-helix	trans	-72.3	-31.6	176.8	-78.4	0	0	0	0	113.4	F21 A22	C18-F21 PolarHBondContact O-N 3.37Å; C18-A22 PolarHBondContact O-N 3Å
19	L	46.3	Very low	47.4	Very low	115 Å²	115	137.8 Å²	137.8	60%	0.602	70%	0.702	S	S	*	*	H	α-helix	trans	-72.7	-30.7	179.4	-80.3	159.9	0	0	0	112.7	L23	L19-L23 PolarHBondContact O-N 3.27Å
20	A	48.8	Very low	48	Very low	62 Å²	62	132.5 Å²	132.5	51%	0.512	70%	0.696	S	S	.	*	H	α-helix	trans	-71.4	-33.6	174.9	0	0	0	0	0	112.5
21	F	52.1	Low	48.8	Very low	180 Å²	180	125.9 Å²	125.9	79%	0.789	68%	0.682	S	S	*	*	H	α-helix	trans	-71.3	-30.4	177.1	-112	-89.7	0	0	0	113.2	C18	C18-F21 PolarHBondContact O-N 3.37Å
22	A	49.4	Very low	49.9	Very low	72 Å²	72	124.1 Å²	124.1	60%	0.595	68%	0.676	S	S	*	*	H	α-helix	trans	-77.1	-25	178.6	0	0	0	0	0	113.6	C18	C18-A22 PolarHBondContact O-N 3Å
23	L	48.2	Very low	51.5	Low	141 Å²	141	118 Å²	118	74%	0.738	65%	0.651	S	S	*	*	H	α-helix	trans	-80.6	-18.7	179.2	-104.9	103.2	0	0	0	114.2	L19 V25	L19-L23 PolarHBondContact O-N 3.27Å; L23-V25 VanDerWaalsContact C-N 3.31Å; L23-V25 PolarHBondContact O-N 3.34Å
24	C	52.2	Low	53.6	Low	91 Å²	91	117.3 Å²	117.3	62%	0.615	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.5	-1	179.6	-70.4	0	0	0	0	114.9	L27	C24-L27 WeakPolarHBondContact O-CD1 3.36Å
25	V	54.5	Low	55.9	Low	118 Å²	118	112.8 Å²	112.8	72%	0.715	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.3	7.6	-174.4	-169.7	0	0	0	0	113.2	L23 L27	L23-V25 VanDerWaalsContact C-N 3.31Å; L23-V25 PolarHBondContact O-N 3.34Å; V25-L27 VanDerWaalsContact C-N 3.32Å
26	R	52	Low	58.3	Low	235 Å²	235	105.7 Å²	105.7	89%	0.887	59%	0.588	S	S	*	*			trans	-96.6	35.4	169.5	-67.3	-74.4	-171.3	162.9	2.6	112.1	R28	R26-R28 PolarHBondContact O-N 3.36Å
27	L	49.7	Very low	60.7	Low	137 Å²	137	104.5 Å²	104.5	72%	0.717	60%	0.597	S	S	*	*			trans	-61.2	123.7	153.8	-87.3	89.3	0	0	0	106.5	C24 V25 T29	C24-L27 WeakPolarHBondContact O-CD1 3.36Å; V25-L27 VanDerWaalsContact C-N 3.32Å; L27-T29 PolarHBondContact O-N 3.46Å
28	R	47.3	Very low	62.7	Low	240 Å²	240	104.5 Å²	104.5	91%	0.906	59%	0.592	S	S	*	*			trans	-57.3	98.7	162.8	-70.9	179.6	176.3	-179.9	-1.5	105.9	R26 V30	R26-R28 PolarHBondContact O-N 3.36Å; R28-V30 PolarHBondContact O-N 3.3Å
29	T	51.6	Low	64.8	Low	130 Å²	130	104.1 Å²	104.1	80%	0.798	60%	0.603	S	S	*	*			trans	-65.5	92.1	161.6	49.7	0	0	0	0	104.9	L27 S31	L27-T29 PolarHBondContact O-N 3.46Å; T29-S31 VanDerWaalsContact C-N 3.3Å; T29-S31 PolarHBondContact O-N 2.9Å
30	V	53.1	Low	66.9	Low	125 Å²	125	103.4 Å²	103.4	76%	0.758	59%	0.592	S	S	*	*			trans	-57	109.2	155.6	174.4	0	0	0	0	103.2	R28 A32	R28-V30 PolarHBondContact O-N 3.3Å; V30-A32 PolarHBondContact O-N 3.45Å
31	S	57.4	Low	69	Low	72 Å²	72	104.9 Å²	104.9	50%	0.503	60%	0.595	S	S	.	*			trans	-65.3	94.3	170.5	171.6	0	0	0	0	105.1	T29 G33 E177	T29-S31 VanDerWaalsContact C-N 3.3Å; T29-S31 PolarHBondContact O-N 2.9Å; S31-G33 PolarHBondContact O-N 3.3Å; S31-E177 PolarHBondContact OG-OE2 2.9Å
32	A	64.6	Low	71.1	Confident	63 Å²	63	97.4 Å²	97.4	52%	0.521	56%	0.562	S	S	.	*	P	Polyproline II helix	trans	-67.2	119.4	165.8	0	0	0	0	0	105.3	V30	V30-A32 PolarHBondContact O-N 3.45Å
33	G	78.9	Confident	73.3	Confident	12 Å²	12	94.8 Å²	94.8	12%	0.124	54%	0.538	C	S	.	.	P	Polyproline II helix	trans	-72.5	165.2	174.8	0	0	0	0	0	110.5	S31 Q174 K175	S31-G33 PolarHBondContact O-N 3.3Å; G33-Q174 PolarHBondContact O-OE1 3.29Å; G33-Q174 VanDerWaalsContact O-OE1 3.05Å; G33-K175 CarbonylContact C-O 3.54Å; G33-K175 WeakPolarHBondContact CA-O 3.08Å
34	D	90.9	Very high	75.6	Confident	89 Å²	89	92.1 Å²	92.1	48%	0.476	53%	0.529	S	S	.	.	B	Isolated β-bridge	trans	-88.1	140.6	-179	-66.5	-44.1	0	0	0	110.8	K175	D34-K175 PolarHBondContact N-O 3.18Å; D34-K175 VanDerWaalsContact N-O 3.13Å; D34-K175 PolarHBondContact O-N 2.96Å
35	C	94.7	Very high	77.7	Confident	31 Å²	31	90.7 Å²	90.7	21%	0.209	51%	0.513	C	S	.	.	P	Polyproline II helix	trans	-77.4	157.3	169.9	-67.1	0	0	0	0	112.1	W42 C49	C35-W42 HydrophobicContact CB-CB 3.69Å; C35-W42 HydrophobicContact CB-CG 4.38Å; C35-C49 WeakPolarHBondContact CA-SG 3.34Å; C35-C49 HydrophobicContact CB-CB 3.81Å; C35-C49 WeakPolarHBondContact CB-SG 3.27Å; C35-C49 WeakPolarHBondContact SG-CB 3.26Å; C35-C49 CovalentContact SG-SG 2.03Å; C35-C49 PolarHBondContact SG-SG 3.47Å
36	P	94.8	Very high	79.5	Confident	18 Å²	18	88 Å²	88	12%	0.117	51%	0.508	C	S	.	.	P	Polyproline II helix	trans	-58.7	142.6	176.7	-19.9	31.1	0	0	0	112.3	W42 F75 T172	P36-W42 HydrophobicContact CG-CD2 4.31Å; P36-W42 HydrophobicContact CG-CZ2 4.35Å; P36-F75 HydrophobicContact CG-CE1 4.41Å; P36-T172 HydrophobicContact CG-CG2 3.79Å
37	A	92	Very high	81.5	Confident	107 Å²	107	81.3 Å²	81.3	88%	0.884	49%	0.491	S	S	*	.			trans	-112.7	62.8	174.1	0	0	0	0	0	109.5
38	D	91.5	Very high	83.6	Confident	67 Å²	67	76.2 Å²	76.2	36%	0.358	46%	0.462	S	S	.	.	S	Bend	trans	-103.8	15.7	-174.1	64.3	-11.8	0	0	0	113.3	R40 W42 F75	D38-R40 WeakPolarHBondContact OD1-CB 3.48Å; D38-R40 PolarHBondContact OD1-N 3.33Å; D38-R40 IonicContact OD2-CZ 2.63Å; D38-R40 IonicContact OD2-NH1 2.67Å; D38-R40 PolarHBondContact OD2-NH1 2.85Å; D38-W42 PolarHBondContact OD1-NE1 3.45Å; D38-F75 WeakPolarHBondContact OD2-CZ 3.25Å
39	G	90.3	Very high	86	Confident	81 Å²	81	64.8 Å²	64.8	84%	0.835	42%	0.419	S	S	*	.	S	Bend	trans	91.2	-8	-176.6	0	0	0	0	0	114.2
40	R	92.1	Very high	88.2	Confident	101 Å²	101	58.6 Å²	58.6	38%	0.381	38%	0.381	S	S	.	.	S	Bend	trans	-86.2	151.4	170.1	-63.2	173.6	175.5	92.9	0.6	111	D38 W42	D38-R40 WeakPolarHBondContact OD1-CB 3.48Å; D38-R40 PolarHBondContact OD1-N 3.33Å; D38-R40 IonicContact OD2-CZ 2.63Å; D38-R40 IonicContact OD2-NH1 2.67Å; D38-R40 PolarHBondContact OD2-NH1 2.85Å; R40-W42 PolarHBondContact O-N 3.37Å
41	T	92.7	Very high	90.3	Very high	93 Å²	93	53.7 Å²	53.7	57%	0.571	35%	0.349	S	S	*	.			trans	-83.5	100.8	169.7	-52.2	0	0	0	0	109.1	H51	T41-H51 PolarHBondContact O-ND1 2.96Å
42	W	95.6	Very high	92.1	Very high	23 Å²	23	50.4 Å²	50.4	9%	0.087	33%	0.326	C	S	.	.			trans	-95.1	137.1	175.8	-68.6	92.8	0	0	0	111.3	C35 P36 D38 R40 C49 Y50 H51 F75 C170 T172	C35-W42 HydrophobicContact CB-CB 3.69Å; C35-W42 HydrophobicContact CB-CG 4.38Å; P36-W42 HydrophobicContact CG-CD2 4.31Å; P36-W42 HydrophobicContact CG-CZ2 4.35Å; D38-W42 PolarHBondContact OD1-NE1 3.45Å; R40-W42 PolarHBondContact O-N 3.37Å; W42-C49 HydrophobicContact CB-CB 4.36Å; W42-C49 HydrophobicContact CD2-CB 4.34Å; W42-C49 HydrophobicContact CE3-CB 3.72Å; W42-C49 HydrophobicContact CZ3-CB 4.44Å; W42-Y50 CarbonylContact C-O 3.55Å; W42-Y50 WeakPolarHBondContact CA-O 3.32Å; W42-H51 HydrophobicContact CD2-CB 3.96Å; W42-H51 HydrophobicContact CE3-CB 3.68Å; W42-H51 HydrophobicContact CH2-CB 4.02Å; W42-H51 HydrophobicContact CZ2-CB 4.28Å; W42-H51 HydrophobicContact CZ3-CB 3.71Å; W42-F75 HydrophobicContact CH2-CB 4.33Å; W42-F75 AromaticContact CH2-CD1 3.72Å; W42-F75 HydrophobicContact CH2-CD1 3.72Å; W42-F75 HydrophobicContact CH2-CD2 4.08Å; W42-F75 AromaticContact CH2-CE1 3.96Å; W42-F75 HydrophobicContact CH2-CE1 3.96Å; W42-F75 HydrophobicContact CH2-CE2 4.31Å; W42-F75 AromaticContact CH2-CG 3.77Å; W42-F75 HydrophobicContact CH2-CG 3.77Å; W42-F75 HydrophobicContact CH2-CZ 4.24Å; W42-F75 AromaticContact CZ2-CD1 3.93Å; W42-F75 HydrophobicContact CZ2-CD1 3.93Å; W42-F75 HydrophobicContact CZ2-CD2 4.12Å; W42-F75 AromaticContact CZ2-CE1 3.66Å; W42-F75 HydrophobicContact CZ2-CE1 3.66Å; W42-F75 AromaticContact CZ2-CE2 3.88Å; W42-F75 HydrophobicContact CZ2-CE2 3.88Å; W42-F75 HydrophobicContact CZ2-CG 4.14Å; W42-F75 AromaticContact CZ2-CZ 3.63Å; W42-F75 HydrophobicContact CZ2-CZ 3.63Å; W42-C170 HydrophobicContact CH2-CB 4.4Å; W42-T172 HydrophobicContact CE3-CG2 4.08Å; W42-T172 HydrophobicContact CH2-CG2 3.87Å; W42-T172 HydrophobicContact CZ2-CG2 4.44Å; W42-T172 HydrophobicContact CZ3-CG2 3.67Å
43	V	96.1	Very high	93.5	Very high	17 Å²	17	48 Å²	48	10%	0.103	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	115	-177.2	-170.9	0	0	0	0	108.3	C49 Y50 F88 Y92	V43-C49 WeakPolarHBondContact O-CA 3.43Å; V43-Y50 PolarHBondContact N-O 3.28Å; V43-Y50 WeakPolarHBondContact O-CD2 3.27Å; V43-Y50 PolarHBondContact O-N 3.19Å; V43-F88 HydrophobicContact CB-CZ 4.26Å; V43-F88 HydrophobicContact CG1-CE2 3.87Å; V43-F88 HydrophobicContact CG1-CZ 3.73Å; V43-Y92 HydrophobicContact CB-CE1 4.31Å; V43-Y92 HydrophobicContact CG1-CD2 4.2Å; V43-Y92 HydrophobicContact CG1-CE1 4.21Å; V43-Y92 HydrophobicContact CG1-CE2 3.89Å; V43-Y92 HydrophobicContact CG1-CG 4.49Å; V43-Y92 HydrophobicContact CG2-CD1 4.17Å; V43-Y92 HydrophobicContact CG2-CE1 3.35Å; V43-Y92 HydrophobicContact CG2-CE2 4.27Å; V43-Y92 VanDerWaalsContact CG2-CZ 3.41Å; V43-Y92 WeakPolarHBondContact CG2-OH 3.47Å
44	P	95.9	Very high	94.1	Very high	84 Å²	84	50.9 Å²	50.9	55%	0.545	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	131.7	178.6	28.7	-32	0	0	0	110.9
45	F	95.8	Very high	93.7	Very high	61 Å²	61	47 Å²	47	27%	0.268	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	126.3	167.4	177.8	-91.1	0	0	0	110.1	D47 R48 Y50 E84 E85 F88	F45-D47 PolarHBondContact O-N 2.9Å; F45-R48 PolarHBondContact N-O 2.92Å; F45-R48 PolarHBondContact O-N 2.97Å; F45-R48 VanDerWaalsContact O-N 3.15Å; F45-R48 VanDerWaalsContact O-O 3.13Å; F45-Y50 HydrophobicContact CB-CD2 4.11Å; F45-Y50 HydrophobicContact CB-CE2 3.73Å; F45-Y50 HydrophobicContact CD1-CE2 4.35Å; F45-E84 HydrophobicContact CZ-CB 4.1Å; F45-E84 WeakPolarHBondContact CZ-O 3.44Å; F45-E85 VanDerWaalsContact CE1-CA 3.5Å; F45-E85 HydrophobicContact CE1-CB 3.9Å; F45-E85 HydrophobicContact CE1-CG 4.5Å; F45-F88 HydrophobicContact CB-CD1 3.81Å; F45-F88 HydrophobicContact CB-CD2 3.96Å; F45-F88 HydrophobicContact CB-CE1 3.71Å; F45-F88 HydrophobicContact CB-CE2 3.85Å; F45-F88 HydrophobicContact CB-CG 3.94Å; F45-F88 HydrophobicContact CB-CZ 3.72Å; F45-F88 HydrophobicContact CD1-CB 4.15Å; F45-F88 AromaticContact CD1-CD1 3.91Å; F45-F88 HydrophobicContact CD1-CD1 3.91Å; F45-F88 AromaticContact CD1-CG 3.99Å; F45-F88 HydrophobicContact CD1-CG 3.99Å; F45-F88 HydrophobicContact CD2-CB 3.69Å; F45-F88 HydrophobicContact CD2-CD1 4.16Å; F45-F88 AromaticContact CD2-CD2 3.53Å; F45-F88 HydrophobicContact CD2-CD2 3.53Å; F45-F88 HydrophobicContact CD2-CE2 4.21Å; F45-F88 AromaticContact CD2-CG 3.49Å; F45-F88 HydrophobicContact CD2-CG 3.49Å; F45-F88 VanDerWaalsContact CD2-CG 3.49Å; F45-F88 HydrophobicContact CE1-CB 4.06Å; F45-F88 HydrophobicContact CE1-CG 4.4Å; F45-F88 HydrophobicContact CE2-CB 3.57Å; F45-F88 HydrophobicContact CE2-CD2 4.2Å; F45-F88 AromaticContact CE2-CG 3.94Å; F45-F88 HydrophobicContact CE2-CG 3.94Å; F45-F88 HydrophobicContact CG-CB 3.99Å; F45-F88 AromaticContact CG-CD1 3.69Å; F45-F88 HydrophobicContact CG-CD1 3.69Å; F45-F88 AromaticContact CG-CD2 3.82Å; F45-F88 HydrophobicContact CG-CD2 3.82Å; F45-F88 HydrophobicContact CG-CE1 4.13Å; F45-F88 HydrophobicContact CG-CE2 4.25Å; F45-F88 AromaticContact CG-CG 3.52Å; F45-F88 HydrophobicContact CG-CG 3.52Å; F45-F88 HydrophobicContact CG-CZ 4.39Å; F45-F88 HydrophobicContact CZ-CB 3.75Å; F45-F88 HydrophobicContact CZ-CG 4.37Å
46	G	93.4	Very high	93.1	Very high	61 Å²	61	53.4 Å²	53.4	63%	0.629	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.4	-124.8	-172.6	0	0	0	0	0	111.9	Q174	G46-Q174 PolarHBondContact O-NE2 3.3Å
47	D	93.1	Very high	92.4	Very high	96 Å²	96	60.1 Å²	60.1	51%	0.513	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	14.2	176.4	67.4	-22.3	0	0	0	113	F45 Q174	F45-D47 PolarHBondContact O-N 2.9Å; D47-Q174 WeakPolarHBondContact O-CB 3.46Å; D47-Q174 PolarHBondContact O-N 3.09Å
48	R	95	Very high	91.8	Very high	29 Å²	29	57.7 Å²	57.7	11%	0.109	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	166.7	-176.4	-69.7	-176.2	-63.3	-75.6	7.2	111.9	F45 Y50 E85 T172 Q174	F45-R48 PolarHBondContact N-O 2.92Å; F45-R48 PolarHBondContact O-N 2.97Å; F45-R48 VanDerWaalsContact O-N 3.15Å; F45-R48 VanDerWaalsContact O-O 3.13Å; R48-Y50 HydrophobicContact CB-CE2 3.72Å; R48-Y50 PolarHBondContact NE-OH 2.88Å; R48-Y50 PolarHBondContact NH2-OH 3.48Å; R48-E85 IonicContact CZ-OE1 3.12Å; R48-E85 IonicContact CZ-OE2 2.64Å; R48-E85 IonicContact NE-OE1 3.97Å; R48-E85 PolarHBondContact NE-OE1 3.34Å; R48-E85 IonicContact NH2-OE1 3.41Å; R48-E85 PolarHBondContact NH2-OE1 3.39Å; R48-E85 IonicContact NH2-OE2 3.98Å; R48-E85 PolarHBondContact NH2-OE2 3.06Å; R48-T172 CarbonylContact C-O 3.48Å; R48-T172 WeakPolarHBondContact CA-O 3.39Å; R48-Q174 PolarHBondContact O-NE2 3.23Å
49	C	97.2	Very high	91.1	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	137.3	176.2	-59.9	0	0	0	0	108.6	C35 W42 V43 E171 T172 Q174	C35-C49 WeakPolarHBondContact CA-SG 3.34Å; C35-C49 HydrophobicContact CB-CB 3.81Å; C35-C49 WeakPolarHBondContact CB-SG 3.27Å; C35-C49 WeakPolarHBondContact SG-CB 3.26Å; C35-C49 CovalentContact SG-SG 2.03Å; C35-C49 PolarHBondContact SG-SG 3.47Å; W42-C49 HydrophobicContact CB-CB 4.36Å; W42-C49 HydrophobicContact CD2-CB 4.34Å; W42-C49 HydrophobicContact CE3-CB 3.72Å; W42-C49 HydrophobicContact CZ3-CB 4.44Å; V43-C49 WeakPolarHBondContact O-CA 3.43Å; C49-E171 CarbonylContact O-C 3.55Å; C49-E171 VanDerWaalsContact O-CA 3.29Å; C49-E171 WeakPolarHBondContact O-CA 3.49Å; C49-T172 HydrophobicContact CB-CG2 3.9Å; C49-T172 PolarHBondContact N-O 3.15Å; C49-T172 PolarHBondContact O-N 3.39Å; C49-Q174 WeakPolarHBondContact SG-CG 3.41Å
50	Y	97.9	Very high	90.6	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	137.9	-176.3	-55	-97.5	0	0	0	110	W42 V43 F45 R48 L78 E85 F88 V169 C170 E171	W42-Y50 CarbonylContact C-O 3.55Å; W42-Y50 WeakPolarHBondContact CA-O 3.32Å; V43-Y50 PolarHBondContact N-O 3.28Å; V43-Y50 WeakPolarHBondContact O-CD2 3.27Å; V43-Y50 PolarHBondContact O-N 3.19Å; F45-Y50 HydrophobicContact CB-CD2 4.11Å; F45-Y50 HydrophobicContact CB-CE2 3.73Å; F45-Y50 HydrophobicContact CD1-CE2 4.35Å; R48-Y50 HydrophobicContact CB-CE2 3.72Å; R48-Y50 PolarHBondContact NE-OH 2.88Å; R48-Y50 PolarHBondContact NH2-OH 3.48Å; Y50-L78 HydrophobicContact CD1-CD1 3.91Å; Y50-L78 HydrophobicContact CE1-CD1 3.9Å; Y50-E85 PolarHBondContact OH-OE1 3.28Å; Y50-F88 HydrophobicContact CD1-CE1 4.36Å; Y50-F88 HydrophobicContact CD2-CD1 4.46Å; Y50-F88 AromaticContact CD2-CE1 3.5Å; Y50-F88 HydrophobicContact CD2-CE1 3.5Å; Y50-F88 HydrophobicContact CD2-CZ 4.02Å; Y50-F88 HydrophobicContact CE2-CD1 4.48Å; Y50-F88 AromaticContact CE2-CE1 3.92Å; Y50-F88 HydrophobicContact CE2-CE1 3.92Å; Y50-F88 AromaticContact CG-CE1 3.76Å; Y50-F88 HydrophobicContact CG-CE1 3.76Å; Y50-F88 HydrophobicContact CG-CZ 4.41Å; Y50-V169 HydrophobicContact CD1-CG1 4.31Å; Y50-C170 CarbonylContact C-O 3.45Å; Y50-C170 VanDerWaalsContact CA-O 3.27Å; Y50-C170 WeakPolarHBondContact CA-O 3.39Å; Y50-E171 HydrophobicContact CD1-CB 4.06Å; Y50-E171 HydrophobicContact CE1-CB 4.16Å
51	H	96.7	Very high	90.4	Very high	22 Å²	22	57.4 Å²	57.4	10%	0.102	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	111.7	175.9	177.9	57.4	0	0	0	109.1	T41 W42 V169 C170	T41-H51 PolarHBondContact O-ND1 2.96Å; W42-H51 HydrophobicContact CD2-CB 3.96Å; W42-H51 HydrophobicContact CE3-CB 3.68Å; W42-H51 HydrophobicContact CH2-CB 4.02Å; W42-H51 HydrophobicContact CZ2-CB 4.28Å; W42-H51 HydrophobicContact CZ3-CB 3.71Å; H51-V169 CarbonylContact O-C 3.59Å; H51-V169 WeakPolarHBondContact O-CA 3.35Å; H51-C170 HydrophobicContact CB-CB 4.45Å; H51-C170 PolarHBondContact N-O 3Å; H51-C170 PolarHBondContact O-N 2.8Å
52	F	95.8	Very high	90.4	Very high	4 Å²	4	55 Å²	55	2%	0.018	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	114.5	176.8	-67.4	-109	0	0	0	108	H54 F88 V89 Y92 V96 W97 V169	F52-H54 PolarHBondContact O-CD2 3.36Å; F52-H54 PolarHBondContact O-N 3.45Å; F52-F88 HydrophobicContact CE2-CZ 4.42Å; F52-V89 HydrophobicContact CE1-CG1 4.3Å; F52-V89 HydrophobicContact CZ-CG1 4.48Å; F52-Y92 AromaticContact CD2-CD1 3.64Å; F52-Y92 HydrophobicContact CD2-CD1 3.64Å; F52-Y92 AromaticContact CD2-CE1 3.92Å; F52-Y92 HydrophobicContact CD2-CE1 3.92Å; F52-Y92 HydrophobicContact CE1-CD1 4.28Å; F52-Y92 AromaticContact CE2-CD1 3.38Å; F52-Y92 HydrophobicContact CE2-CD1 3.38Å; F52-Y92 HydrophobicContact CE2-CE1 4.05Å; F52-Y92 HydrophobicContact CE2-CG 4.24Å; F52-Y92 HydrophobicContact CG-CD1 4.23Å; F52-Y92 AromaticContact CZ-CD1 3.74Å; F52-Y92 HydrophobicContact CZ-CD1 3.74Å; F52-Y92 HydrophobicContact CZ-CG 4.34Å; F52-V96 HydrophobicContact CB-CB 4.15Å; F52-V96 HydrophobicContact CB-CG1 3.83Å; F52-V96 HydrophobicContact CB-CG2 4Å; F52-V96 HydrophobicContact CG-CG2 4.25Å; F52-W97 HydrophobicContact CB-CZ2 4.33Å; F52-W97 AromaticContact CD1-CH2 3.96Å; F52-W97 HydrophobicContact CD1-CH2 3.96Å; F52-W97 HydrophobicContact CD1-CZ2 4.22Å; F52-W97 HydrophobicContact CD1-CZ3 4.22Å; F52-V169 HydrophobicContact CB-CG2 4.48Å; F52-V169 HydrophobicContact CD1-CG2 3.41Å; F52-V169 VanDerWaalsContact CD1-CG2 3.41Å; F52-V169 HydrophobicContact CD2-CG1 4.33Å; F52-V169 HydrophobicContact CE1-CG1 4.47Å; F52-V169 HydrophobicContact CE1-CG2 3.62Å; F52-V169 HydrophobicContact CE2-CG1 4.24Å; F52-V169 HydrophobicContact CG-CG1 4.47Å; F52-V169 HydrophobicContact CG-CG2 3.9Å; F52-V169 HydrophobicContact CZ-CG1 4.3Å; F52-V169 HydrophobicContact CZ-CG2 4.26Å
53	V	94.4	Very high	90.3	Very high	13 Å²	13	55.9 Å²	55.9	8%	0.079	29%	0.294	C	S	.	.			trans	-73.6	125.5	-179.1	-179.1	0	0	0	0	108.6	Y63 W97 V168	V53-Y63 HydrophobicContact CG1-CE2 3.9Å; V53-W97 PolarHBondContact O-NE1 3.05Å; V53-V168 HydrophobicContact CB-CB 3.99Å; V53-V168 HydrophobicContact CB-CG1 4.44Å; V53-V168 HydrophobicContact CG2-CB 3.88Å; V53-V168 HydrophobicContact CG2-CG1 3.77Å; V53-V168 PolarHBondContact N-O 3.2Å
54	H	90.2	Very high	90.4	Very high	71 Å²	71	56 Å²	56	33%	0.329	30%	0.295	S	S	.	.			trans	-133.3	161.2	179.3	64.1	84.4	0	0	0	111.6	F52 D58 V96	F52-H54 PolarHBondContact O-CD2 3.36Å; F52-H54 PolarHBondContact O-N 3.45Å; H54-D58 IonicContact CE1-OD1 2.68Å; H54-V96 HydrophobicContact CB-CG1 3.81Å
55	G	83.4	Confident	90.4	Very high	8 Å²	8	52.2 Å²	52.2	8%	0.082	27%	0.27	C	S	.	.			trans	-80.5	-170.7	173.4	0	0	0	0	0	113.5	Q59 K61	G55-Q59 PolarHBondContact N-O 2.93Å; G55-K61 VanDerWaalsContact CA-CE 3.42Å
56	E	81	Confident	90.4	Very high	166 Å²	166	54.3 Å²	54.3	78%	0.776	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-62.4	147.4	167.3	-169.3	168.7	-163.5	0	0	109.7	D58 Q59	E56-D58 VanDerWaalsContact C-N 3.26Å; E56-D58 PolarHBondContact O-N 3.13Å; E56-Q59 WeakPolarHBondContact O-CB 3.22Å; E56-Q59 WeakPolarHBondContact O-CG 3.47Å; E56-Q59 PolarHBondContact O-N 2.89Å
57	E	80.4	Confident	90.5	Very high	159 Å²	159	52.9 Å²	52.9	74%	0.743	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	53.4	35.6	-178.3	-63.3	-179.5	175.3	0	0	115	Q59	E57-Q59 PolarHBondContact O-N 2.94Å; E57-Q59 VanDerWaalsContact O-N 3.09Å
58	D	78.5	Confident	90.7	Very high	55 Å²	55	48.3 Å²	48.3	29%	0.294	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	58.4	22.6	178.7	-55	-28.8	0	0	0	113.6	H54 E56 V96 K98	H54-D58 IonicContact CE1-OD1 2.68Å; E56-D58 VanDerWaalsContact C-N 3.26Å; E56-D58 PolarHBondContact O-N 3.13Å; D58-V96 WeakPolarHBondContact CB-O 3.35Å; D58-K98 HydrophobicContact CB-CD 4.08Å; D58-K98 HydrophobicContact CB-CG 4.34Å; D58-K98 PolarHBondContact O-N 3.39Å; D58-K98 VanDerWaalsContact O-N 3.15Å; D58-K98 IonicContact OD2-NZ 2.8Å; D58-K98 PolarHBondContact OD2-NZ 2.68Å
59	Q	78.2	Confident	90.7	Very high	99 Å²	99	52.7 Å²	52.7	46%	0.463	26%	0.255	S	S	.	.	B	Isolated β-bridge	trans	-73.7	145.9	176.4	-68.2	-63.3	-44.4	0	0	111.2	G55 E56 E57 K61	G55-Q59 PolarHBondContact N-O 2.93Å; E56-Q59 WeakPolarHBondContact O-CB 3.22Å; E56-Q59 WeakPolarHBondContact O-CG 3.47Å; E56-Q59 PolarHBondContact O-N 2.89Å; E57-Q59 PolarHBondContact O-N 2.94Å; E57-Q59 VanDerWaalsContact O-N 3.09Å; Q59-K61 PolarHBondContact O-N 3.4Å
60	I	78.9	Confident	90.7	Very high	45 Å²	45	56.4 Å²	56.4	23%	0.231	28%	0.281	C	S	.	.			trans	-64.8	129.9	175.9	-46.3	-161.8	0	0	0	109.3	W97 V102	I60-W97 HydrophobicContact CD1-CB 3.76Å; I60-W97 HydrophobicContact CD1-CG 4.38Å; I60-W97 HydrophobicContact CG1-CB 3.63Å; I60-W97 HydrophobicContact CG1-CG 4.02Å; I60-W97 HydrophobicContact CG2-CG 4.4Å; I60-V102 HydrophobicContact CD1-CB 4.12Å; I60-V102 HydrophobicContact CD1-CG1 4.3Å; I60-V102 HydrophobicContact CG2-CB 3.69Å; I60-V102 HydrophobicContact CG2-CG1 3.68Å; I60-V102 HydrophobicContact CG2-CG2 3.85Å
61	K	87.6	Confident	90.5	Very high	99 Å²	99	60 Å²	60	43%	0.43	30%	0.298	S	S	.	.			trans	-117.1	126.9	164.3	-74	-172.3	175.1	174.2	0	109.2	G55 Q59 Y63	G55-K61 VanDerWaalsContact CA-CE 3.42Å; Q59-K61 PolarHBondContact O-N 3.4Å; K61-Y63 HydrophobicContact CB-CD2 4.44Å; K61-Y63 HydrophobicContact CB-CE2 3.54Å; K61-Y63 VanDerWaalsContact CD-OH 3.31Å; K61-Y63 WeakPolarHBondContact CD-OH 3.26Å
62	S	92.6	Very high	90.5	Very high	42 Å²	42	59.1 Å²	59.1	29%	0.294	29%	0.294	S	S	.	.			trans	-100.9	149.3	173.4	-56.3	0	0	0	0	109.2	N166	S62-N166 WeakPolarHBondContact CA-O 3.34Å
63	Y	95.3	Very high	90.4	Very high	43 Å²	43	63.9 Å²	63.9	17%	0.169	32%	0.323	C	S	.	.	B	Isolated β-bridge	trans	-139.8	153.4	-177.5	-63.5	-86.8	0	0	0	109.6	V53 K61 A67 H71 W105 E165 N166 V168	V53-Y63 HydrophobicContact CG1-CE2 3.9Å; K61-Y63 HydrophobicContact CB-CD2 4.44Å; K61-Y63 HydrophobicContact CB-CE2 3.54Å; K61-Y63 VanDerWaalsContact CD-OH 3.31Å; K61-Y63 WeakPolarHBondContact CD-OH 3.26Å; Y63-A67 HydrophobicContact CD1-CB 4.33Å; Y63-H71 AromaticContact CD1-CD2 3.8Å; Y63-H71 AromaticContact CD1-NE2 3.54Å; Y63-H71 AromaticContact CE1-CD2 3.79Å; Y63-H71 AromaticContact CE1-NE2 3.1Å; Y63-H71 WeakPolarHBondContact CE1-NE2 3.29Å; Y63-H71 AromaticContact CZ-NE2 3.49Å; Y63-W105 PolarHBondContact O-NE1 3.31Å; Y63-E165 VanDerWaalsContact O-CA 3.26Å; Y63-E165 WeakPolarHBondContact O-CA 3.24Å; Y63-N166 PolarHBondContact N-O 2.72Å; Y63-N166 PolarHBondContact O-N 3.25Å; Y63-V168 HydrophobicContact CD2-CB 4.49Å; Y63-V168 HydrophobicContact CD2-CG2 3.59Å; Y63-V168 HydrophobicContact CE2-CG2 4.48Å; Y63-V168 HydrophobicContact CG-CG2 4.14Å
64	T	96.9	Very high	90.4	Very high	20 Å²	20	66.9 Å²	66.9	12%	0.123	36%	0.357	C	S	.	.			trans	-63.5	162.3	167.5	72.6	0	0	0	0	110.7	E66 A67 A68 D162 E165	T64-E66 VanDerWaalsContact C-N 3.34Å; T64-E66 PolarHBondContact O-N 3.48Å; T64-A67 PolarHBondContact O-N 3.49Å; T64-A67 PolarHBondContact OG1-N 3.46Å; T64-A68 WeakPolarHBondContact O-CB 3.31Å; T64-A68 PolarHBondContact O-N 3.36Å; T64-D162 HydrophobicContact CG2-CB 4.09Å; T64-D162 WeakPolarHBondContact CG2-O 3.33Å; T64-D162 PolarHBondContact OG1-OD1 2.69Å; T64-E165 HydrophobicContact CG2-CG 4.14Å
65	F	96.6	Very high	90.6	Very high	4 Å²	4	66.3 Å²	66.3	2%	0.018	35%	0.354	C	S	.	.	H	α-helix	trans	-59.3	-43	-176.7	-176.4	-105.4	0	0	0	112.9	A68 R69 L77 W105 C145 C160	F65-A68 WeakPolarHBondContact O-CB 3.3Å; F65-A68 PolarHBondContact O-N 3.39Å; F65-R69 HydrophobicContact CE1-CG 4.22Å; F65-R69 HydrophobicContact CZ-CG 4.4Å; F65-R69 WeakPolarHBondContact O-CG 3.31Å; F65-R69 PolarHBondContact O-N 2.93Å; F65-L77 HydrophobicContact CD2-CD2 4.39Å; F65-L77 HydrophobicContact CE2-CD2 3.86Å; F65-L77 HydrophobicContact CZ-CD2 4.47Å; F65-W105 HydrophobicContact CB-CD2 4.47Å; F65-W105 HydrophobicContact CB-CH2 4.14Å; F65-W105 HydrophobicContact CB-CZ2 4.04Å; F65-W105 HydrophobicContact CB-CZ3 4.37Å; F65-W105 AromaticContact CD2-CD2 3.89Å; F65-W105 HydrophobicContact CD2-CD2 3.89Å; F65-W105 AromaticContact CD2-CE3 3.67Å; F65-W105 HydrophobicContact CD2-CE3 3.67Å; F65-W105 HydrophobicContact CD2-CG 4.35Å; F65-W105 HydrophobicContact CD2-CZ3 4.03Å; F65-W105 HydrophobicContact CE2-CE3 4.41Å; F65-C145 WeakPolarHBondContact CD1-SG 3.36Å; F65-C145 HydrophobicContact CD2-CB 4.18Å; F65-C145 VanDerWaalsContact CD2-SG 3.55Å; F65-C145 VanDerWaalsContact CE1-SG 3.52Å; F65-C145 HydrophobicContact CE2-CB 4.32Å; F65-C145 HydrophobicContact CG-CB 4.49Å; F65-C145 WeakPolarHBondContact CG-SG 3.22Å; F65-C160 HydrophobicContact CD1-CB 4.41Å
66	E	95.2	Very high	91.2	Very high	104 Å²	104	66.8 Å²	66.8	49%	0.486	36%	0.359	S	S	.	.	H	α-helix	trans	-67.5	-38.3	178	-70.6	-59.7	151.9	0	0	112.2	T64 A68 R69 S70	T64-E66 VanDerWaalsContact C-N 3.34Å; T64-E66 PolarHBondContact O-N 3.48Å; E66-A68 VanDerWaalsContact C-N 3.35Å; E66-R69 PolarHBondContact O-N 3.36Å; E66-S70 PolarHBondContact O-N 2.96Å
67	A	96.4	Very high	92	Very high	32 Å²	32	59.2 Å²	59.2	26%	0.264	32%	0.323	S	S	.	.	H	α-helix	trans	-64.1	-40.4	173.1	0	0	0	0	0	111.7	Y63 T64 R69 S70 H71	Y63-A67 HydrophobicContact CD1-CB 4.33Å; T64-A67 PolarHBondContact O-N 3.49Å; T64-A67 PolarHBondContact OG1-N 3.46Å; A67-R69 PolarHBondContact O-N 3.45Å; A67-S70 WeakPolarHBondContact O-CB 3.49Å; A67-S70 PolarHBondContact O-N 2.89Å; A67-H71 PolarHBondContact O-CD2 3.25Å; A67-H71 PolarHBondContact O-N 2.82Å
68	A	96.6	Very high	92.9	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-59.3	-45.1	174.4	0	0	0	0	0	112	T64 F65 E66 S70 H71 C72 L77 W105 V168	T64-A68 WeakPolarHBondContact O-CB 3.31Å; T64-A68 PolarHBondContact O-N 3.36Å; F65-A68 WeakPolarHBondContact O-CB 3.3Å; F65-A68 PolarHBondContact O-N 3.39Å; E66-A68 VanDerWaalsContact C-N 3.35Å; A68-S70 VanDerWaalsContact C-N 3.32Å; A68-S70 PolarHBondContact O-N 3.48Å; A68-H71 PolarHBondContact O-N 2.96Å; A68-C72 PolarHBondContact O-N 3.46Å; A68-L77 HydrophobicContact CB-CD1 4.2Å; A68-L77 HydrophobicContact CB-CD2 4.46Å; A68-W105 HydrophobicContact CB-CG 4.21Å; A68-V168 HydrophobicContact CB-CB 4.42Å; A68-V168 HydrophobicContact CB-CG1 4.12Å; A68-V168 HydrophobicContact CB-CG2 3.45Å; A68-V168 VanDerWaalsContact CB-CG2 3.45Å
69	R	95.6	Very high	93.8	Very high	120 Å²	120	49 Å²	49	45%	0.453	27%	0.274	S	S	.	.	H	α-helix	trans	-59.5	-43.4	173.7	-70.9	-179.5	67.4	137.9	3.6	111.8	F65 E66 A67 H71 C72 T73 L77	F65-R69 HydrophobicContact CE1-CG 4.22Å; F65-R69 HydrophobicContact CZ-CG 4.4Å; F65-R69 WeakPolarHBondContact O-CG 3.31Å; F65-R69 PolarHBondContact O-N 2.93Å; E66-R69 PolarHBondContact O-N 3.36Å; A67-R69 PolarHBondContact O-N 3.45Å; R69-H71 VanDerWaalsContact C-N 3.35Å; R69-H71 PolarHBondContact O-N 2.99Å; R69-C72 CarbonylContact O-C 3.59Å; R69-C72 PolarHBondContact O-N 3.31Å; R69-C72 VanDerWaalsContact O-N 3.17Å; R69-T73 PolarHBondContact O-N 2.9Å; R69-L77 HydrophobicContact CG-CD2 4.31Å
70	S	95.8	Very high	94.7	Very high	79 Å²	79	44.3 Å²	44.3	55%	0.552	25%	0.252	S	S	*	.	H	α-helix	trans	-60.4	-43	177.8	-175.1	0	0	0	0	112.1	E66 A67 A68 C72 T73	E66-S70 PolarHBondContact O-N 2.96Å; A67-S70 WeakPolarHBondContact O-CB 3.49Å; A67-S70 PolarHBondContact O-N 2.89Å; A68-S70 VanDerWaalsContact C-N 3.32Å; A68-S70 PolarHBondContact O-N 3.48Å; S70-C72 PolarHBondContact O-N 2.97Å; S70-T73 WeakPolarHBondContact O-CB 3.34Å; S70-T73 PolarHBondContact O-N 3.34Å; S70-T73 VanDerWaalsContact O-N 3.07Å; S70-T73 PolarHBondContact O-OG1 2.8Å
71	H	94.9	Very high	95.6	Very high	75 Å²	75	43.8 Å²	43.8	35%	0.347	25%	0.248	S	C	.	.	H	α-helix	trans	-59.2	-31.3	175.9	-86.1	-69.3	0	0	0	113.6	Y63 A67 A68 R69 V168	Y63-H71 AromaticContact CD1-CD2 3.8Å; Y63-H71 AromaticContact CD1-NE2 3.54Å; Y63-H71 AromaticContact CE1-CD2 3.79Å; Y63-H71 AromaticContact CE1-NE2 3.1Å; Y63-H71 WeakPolarHBondContact CE1-NE2 3.29Å; Y63-H71 AromaticContact CZ-NE2 3.49Å; A67-H71 PolarHBondContact O-CD2 3.25Å; A67-H71 PolarHBondContact O-N 2.82Å; A68-H71 PolarHBondContact O-N 2.96Å; R69-H71 VanDerWaalsContact C-N 3.35Å; R69-H71 PolarHBondContact O-N 2.99Å; H71-V168 HydrophobicContact CB-CG1 4.33Å
72	C	96.4	Very high	96	Very high	3 Å²	3	40.6 Å²	40.6	2%	0.02	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96	16.1	178.4	-54.8	0	0	0	0	113.7	A68 R69 S70 G74 F75 C170	A68-C72 PolarHBondContact O-N 3.46Å; R69-C72 CarbonylContact O-C 3.59Å; R69-C72 PolarHBondContact O-N 3.31Å; R69-C72 VanDerWaalsContact O-N 3.17Å; S70-C72 PolarHBondContact O-N 2.97Å; C72-G74 PolarHBondContact O-N 3.34Å; C72-F75 CarbonylContact O-C 3.52Å; C72-F75 VanDerWaalsContact O-CA 3.32Å; C72-F75 WeakPolarHBondContact O-CA 3.15Å; C72-F75 WeakPolarHBondContact O-CB 3.34Å; C72-F75 PolarHBondContact O-N 2.83Å; C72-C170 WeakPolarHBondContact CA-SG 3.42Å; C72-C170 HydrophobicContact CB-CB 3.77Å; C72-C170 WeakPolarHBondContact CB-SG 3.17Å; C72-C170 WeakPolarHBondContact SG-CA 3.48Å; C72-C170 WeakPolarHBondContact SG-CB 3.26Å; C72-C170 CovalentContact SG-SG 2.04Å; C72-C170 PolarHBondContact SG-SG 2.63Å
73	T	94.4	Very high	96.3	Very high	104 Å²	104	40.5 Å²	40.5	64%	0.638	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.7	127.9	177.8	-59.9	0	0	0	0	111.6	R69 S70 F75	R69-T73 PolarHBondContact O-N 2.9Å; S70-T73 WeakPolarHBondContact O-CB 3.34Å; S70-T73 PolarHBondContact O-N 3.34Å; S70-T73 VanDerWaalsContact O-N 3.07Å; S70-T73 PolarHBondContact O-OG1 2.8Å; T73-F75 VanDerWaalsContact C-N 3.29Å
74	G	93.5	Very high	96.4	Very high	76 Å²	76	44.5 Å²	44.5	78%	0.784	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.3	-4.6	-173.6	0	0	0	0	0	114.2	C72	C72-G74 PolarHBondContact O-N 3.34Å
75	F	95.3	Very high	96.5	Very high	60 Å²	60	43.6 Å²	43.6	26%	0.263	26%	0.255	S	S	.	.	S	Bend	trans	-131.1	-169.9	174.7	-53.3	-68.9	0	0	0	109.1	P36 D38 W42 C72 T73 E171 T172	P36-F75 HydrophobicContact CG-CE1 4.41Å; D38-F75 WeakPolarHBondContact OD2-CZ 3.25Å; W42-F75 HydrophobicContact CH2-CB 4.33Å; W42-F75 AromaticContact CH2-CD1 3.72Å; W42-F75 HydrophobicContact CH2-CD1 3.72Å; W42-F75 HydrophobicContact CH2-CD2 4.08Å; W42-F75 AromaticContact CH2-CE1 3.96Å; W42-F75 HydrophobicContact CH2-CE1 3.96Å; W42-F75 HydrophobicContact CH2-CE2 4.31Å; W42-F75 AromaticContact CH2-CG 3.77Å; W42-F75 HydrophobicContact CH2-CG 3.77Å; W42-F75 HydrophobicContact CH2-CZ 4.24Å; W42-F75 AromaticContact CZ2-CD1 3.93Å; W42-F75 HydrophobicContact CZ2-CD1 3.93Å; W42-F75 HydrophobicContact CZ2-CD2 4.12Å; W42-F75 AromaticContact CZ2-CE1 3.66Å; W42-F75 HydrophobicContact CZ2-CE1 3.66Å; W42-F75 AromaticContact CZ2-CE2 3.88Å; W42-F75 HydrophobicContact CZ2-CE2 3.88Å; W42-F75 HydrophobicContact CZ2-CG 4.14Å; W42-F75 AromaticContact CZ2-CZ 3.63Å; W42-F75 HydrophobicContact CZ2-CZ 3.63Å; C72-F75 CarbonylContact O-C 3.52Å; C72-F75 VanDerWaalsContact O-CA 3.32Å; C72-F75 WeakPolarHBondContact O-CA 3.15Å; C72-F75 WeakPolarHBondContact O-CB 3.34Å; C72-F75 PolarHBondContact O-N 2.83Å; T73-F75 VanDerWaalsContact C-N 3.29Å; F75-E171 WeakPolarHBondContact CB-O 3.48Å; F75-T172 HydrophobicContact CD1-CG2 4.15Å; F75-T172 HydrophobicContact CE1-CG2 4.47Å
76	G	96.2	Very high	96.6	Very high	18 Å²	18	43.4 Å²	43.4	19%	0.186	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	154.6	172.5	0	0	0	0	0	111.9	C170 E171	G76-C170 CarbonylContact O-C 3.53Å; G76-C170 VanDerWaalsContact O-CA 3.23Å; G76-C170 WeakPolarHBondContact O-CA 3.41Å; G76-E171 PolarHBondContact N-O 3.43Å; G76-E171 PolarHBondContact O-N 2.88Å
77	L	97.6	Very high	96.7	Very high	6 Å²	6	43 Å²	43	3%	0.031	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	148.5	161.7	-167.5	63	0	0	0	108.4	F65 A68 R69 T79 W105 V168	F65-L77 HydrophobicContact CD2-CD2 4.39Å; F65-L77 HydrophobicContact CE2-CD2 3.86Å; F65-L77 HydrophobicContact CZ-CD2 4.47Å; A68-L77 HydrophobicContact CB-CD1 4.2Å; A68-L77 HydrophobicContact CB-CD2 4.46Å; R69-L77 HydrophobicContact CG-CD2 4.31Å; L77-T79 PolarHBondContact O-N 3.04Å; L77-W105 HydrophobicContact CD2-CB 4.16Å; L77-V168 HydrophobicContact CD1-CG1 3.91Å
78	L	98.2	Very high	96.8	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	25%	0.247	C	C	.	.			trans	-45	122.8	-172.7	176.2	63.8	0	0	0	113.6	Y50 I80 V89 I104 L106 G107 V169	Y50-L78 HydrophobicContact CD1-CD1 3.91Å; Y50-L78 HydrophobicContact CE1-CD1 3.9Å; L78-I80 HydrophobicContact CD1-CG1 4.39Å; L78-I80 HydrophobicContact CD2-CD1 4.48Å; L78-I80 HydrophobicContact CG-CG1 4.3Å; L78-V89 HydrophobicContact CD1-CG2 3.9Å; L78-V89 HydrophobicContact CD2-CG1 3.92Å; L78-V89 HydrophobicContact CD2-CG2 4.08Å; L78-I104 HydrophobicContact CD2-CG2 3.87Å; L78-L106 HydrophobicContact CD2-CD2 3.76Å; L78-L106 HydrophobicContact CG-CD2 3.99Å; L78-L106 CarbonylContact O-C 3.48Å; L78-G107 PolarHBondContact O-N 3.35Å; L78-V169 HydrophobicContact CB-CB 3.98Å; L78-V169 HydrophobicContact CB-CG1 4.3Å; L78-V169 WeakPolarHBondContact CB-O 3.4Å; L78-V169 HydrophobicContact CD1-CG1 4.18Å; L78-V169 HydrophobicContact CD2-CB 4.12Å; L78-V169 HydrophobicContact CD2-CG1 4.46Å; L78-V169 HydrophobicContact CD2-CG2 4.48Å; L78-V169 HydrophobicContact CG-CB 4.46Å; L78-V169 PolarHBondContact N-O 3.29Å
79	T	97.9	Very high	96.8	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	25%	0.247	C	C	.	.			trans	-112.2	158.3	167.1	68.9	0	0	0	0	110	L77 H81 W119 N121 E171	L77-T79 PolarHBondContact O-N 3.04Å; T79-H81 PolarHBondContact OG1-NE2 2.93Å; T79-W119 HydrophobicContact CG2-CB 4.22Å; T79-W119 HydrophobicContact CG2-CD2 3.92Å; T79-W119 HydrophobicContact CG2-CE3 3.5Å; T79-W119 HydrophobicContact CG2-CG 4.26Å; T79-W119 HydrophobicContact CG2-CZ3 4.12Å; T79-N121 WeakPolarHBondContact CG2-ND2 3.35Å; T79-N121 PolarHBondContact OG1-ND2 3.1Å; T79-E171 PolarHBondContact N-OE2 3.46Å; T79-E171 PolarHBondContact OG1-OE1 2.93Å; T79-E171 PolarHBondContact OG1-OE2 3.49Å
80	I	97.8	Very high	96.8	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	24%	0.235	C	C	.	.			trans	-135.3	117.9	179.8	-57.3	178.5	0	0	0	109.3	L78 S82 E85 N86 L106 W119 F127 L148 W155	L78-I80 HydrophobicContact CD1-CG1 4.39Å; L78-I80 HydrophobicContact CD2-CD1 4.48Å; L78-I80 HydrophobicContact CG-CG1 4.3Å; I80-S82 WeakPolarHBondContact CG2-O 3.19Å; I80-E85 HydrophobicContact CG2-CB 4.32Å; I80-E85 HydrophobicContact CG2-CG 4.22Å; I80-N86 HydrophobicContact CG2-CB 3.88Å; I80-L106 HydrophobicContact CD1-CD2 3.73Å; I80-L106 HydrophobicContact CG1-CD2 4.16Å; I80-W119 HydrophobicContact CB-CH2 4.29Å; I80-W119 VanDerWaalsContact N-CH2 3.32Å; I80-W119 WeakPolarHBondContact O-CZ2 3.4Å; I80-F127 HydrophobicContact CG2-CD1 3.71Å; I80-F127 HydrophobicContact CG2-CE1 3.74Å; I80-L148 HydrophobicContact CD1-CD1 3.36Å; I80-W155 HydrophobicContact CB-CH2 4.16Å; I80-W155 HydrophobicContact CB-CZ2 3.66Å; I80-W155 HydrophobicContact CD1-CZ2 4.09Å; I80-W155 HydrophobicContact CG1-CZ2 4.39Å; I80-W155 HydrophobicContact CG2-CZ2 3.81Å
81	H	96.3	Very high	96.8	Very high	34 Å²	34	38.4 Å²	38.4	16%	0.157	23%	0.233	C	C	.	.			trans	-113.6	-3.2	-174.3	-64.8	-63	0	0	0	113.3	T79 E85 W119 F127	T79-H81 PolarHBondContact OG1-NE2 2.93Å; H81-E85 PolarHBondContact N-OE2 3.4Å; H81-W119 AromaticContact CE1-CD1 3.84Å; H81-W119 AromaticContact CE1-NE1 3.85Å; H81-F127 VanDerWaalsContact C-CB 3.5Å; H81-F127 WeakPolarHBondContact O-CB 3.32Å
82	S	97.5	Very high	96.8	Very high	33 Å²	33	37 Å²	37	23%	0.231	23%	0.225	C	C	.	.	S	Bend	trans	-155.1	161.5	-178.7	62.2	0	0	0	0	112.4	I80 E84 E85 N86	I80-S82 WeakPolarHBondContact CG2-O 3.19Å; S82-E84 VanDerWaalsContact C-N 3.32Å; S82-E84 WeakPolarHBondContact CB-OE2 3.41Å; S82-E85 PolarHBondContact O-N 3.3Å; S82-E85 VanDerWaalsContact OG-CB 3.25Å; S82-E85 WeakPolarHBondContact OG-CB 3.33Å; S82-E85 PolarHBondContact OG-N 2.6Å; S82-N86 PolarHBondContact O-N 3.32Å
83	A	98.1	Very high	96.7	Very high	40 Å²	40	37.2 Å²	37.2	33%	0.331	23%	0.227	S	C	.	.	H	α-helix	trans	-65.8	-38.3	174.9	0	0	0	0	0	111.2	E85 N86 D87 F127	A83-E85 VanDerWaalsContact C-N 3.3Å; A83-E85 PolarHBondContact O-N 2.76Å; A83-N86 WeakPolarHBondContact O-CB 3.44Å; A83-N86 PolarHBondContact O-N 2.77Å; A83-N86 VanDerWaalsContact O-N 3.16Å; A83-D87 PolarHBondContact O-N 3.25Å; A83-F127 HydrophobicContact CB-CE2 3.85Å; A83-F127 HydrophobicContact CB-CZ 4.05Å
84	E	98.2	Very high	96.5	Very high	127 Å²	127	36.1 Å²	36.1	59%	0.593	22%	0.221	S	C	*	.	H	α-helix	trans	-63.9	-37.4	179.7	-61.6	75.6	-168.7	0	0	111.7	F45 S82 F88	F45-E84 HydrophobicContact CZ-CB 4.1Å; F45-E84 WeakPolarHBondContact CZ-O 3.44Å; S82-E84 VanDerWaalsContact C-N 3.32Å; S82-E84 WeakPolarHBondContact CB-OE2 3.41Å; E84-F88 WeakPolarHBondContact O-CB 3.34Å; E84-F88 PolarHBondContact O-N 2.8Å
85	E	98	Very high	96.4	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-68.1	-40.9	173.3	178.1	176.4	-152.3	0	0	112.4	F45 R48 Y50 I80 H81 S82 A83 D87 F88 V89	F45-E85 VanDerWaalsContact CE1-CA 3.5Å; F45-E85 HydrophobicContact CE1-CB 3.9Å; F45-E85 HydrophobicContact CE1-CG 4.5Å; R48-E85 IonicContact CZ-OE1 3.12Å; R48-E85 IonicContact CZ-OE2 2.64Å; R48-E85 IonicContact NE-OE1 3.97Å; R48-E85 PolarHBondContact NE-OE1 3.34Å; R48-E85 IonicContact NH2-OE1 3.41Å; R48-E85 PolarHBondContact NH2-OE1 3.39Å; R48-E85 IonicContact NH2-OE2 3.98Å; R48-E85 PolarHBondContact NH2-OE2 3.06Å; Y50-E85 PolarHBondContact OH-OE1 3.28Å; I80-E85 HydrophobicContact CG2-CB 4.32Å; I80-E85 HydrophobicContact CG2-CG 4.22Å; H81-E85 PolarHBondContact N-OE2 3.4Å; S82-E85 PolarHBondContact O-N 3.3Å; S82-E85 VanDerWaalsContact OG-CB 3.25Å; S82-E85 WeakPolarHBondContact OG-CB 3.33Å; S82-E85 PolarHBondContact OG-N 2.6Å; A83-E85 VanDerWaalsContact C-N 3.3Å; A83-E85 PolarHBondContact O-N 2.76Å; E85-D87 VanDerWaalsContact C-N 3.33Å; E85-D87 PolarHBondContact O-N 3.36Å; E85-F88 WeakPolarHBondContact O-CB 3.08Å; E85-F88 PolarHBondContact O-N 3Å; E85-V89 WeakPolarHBondContact O-CG2 3.37Å; E85-V89 PolarHBondContact O-N 3.08Å
86	N	98.4	Very high	96.1	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-58.7	-48	174.6	-165.9	98	0	0	0	110.7	I80 S82 A83 F88 V89 M90 F127 N129 L148 G153 W155	I80-N86 HydrophobicContact CG2-CB 3.88Å; S82-N86 PolarHBondContact O-N 3.32Å; A83-N86 WeakPolarHBondContact O-CB 3.44Å; A83-N86 PolarHBondContact O-N 2.77Å; A83-N86 VanDerWaalsContact O-N 3.16Å; N86-F88 VanDerWaalsContact C-N 3.35Å; N86-F88 PolarHBondContact O-N 3.01Å; N86-V89 PolarHBondContact O-N 2.86Å; N86-M90 WeakPolarHBondContact O-CG 3.47Å; N86-M90 PolarHBondContact O-N 2.84Å; N86-M90 VanDerWaalsContact O-N 3.09Å; N86-F127 HydrophobicContact CB-CE1 4.1Å; N86-F127 HydrophobicContact CB-CZ 4.37Å; N86-N129 PolarHBondContact ND2-ND2 3.2Å; N86-L148 WeakPolarHBondContact OD1-CD1 3.42Å; N86-G153 PolarHBondContact ND2-O 2.86Å; N86-G153 PolarHBondContact OD1-O 3.24Å; N86-W155 PolarHBondContact OD1-NE1 3.42Å
87	D	97.9	Very high	95.8	Very high	96 Å²	96	35.6 Å²	35.6	51%	0.513	20%	0.195	S	C	.	.	H	α-helix	trans	-65.4	-37.7	179	-68.9	-11.5	0	0	0	111.8	A83 E85 M90 S91	A83-D87 PolarHBondContact O-N 3.25Å; E85-D87 VanDerWaalsContact C-N 3.33Å; E85-D87 PolarHBondContact O-N 3.36Å; D87-M90 PolarHBondContact O-N 3.05Å; D87-S91 WeakPolarHBondContact O-CB 3.37Å; D87-S91 PolarHBondContact O-N 2.64Å; D87-S91 PolarHBondContact O-OG 2.74Å
88	F	97.8	Very high	95.2	Very high	20 Å²	20	40.5 Å²	40.5	9%	0.088	22%	0.216	C	C	.	.	H	α-helix	trans	-57.4	-51.8	172.7	160.2	-104.7	0	0	0	111.4	V43 F45 Y50 F52 E84 E85 N86 M90 S91 Y92	V43-F88 HydrophobicContact CB-CZ 4.26Å; V43-F88 HydrophobicContact CG1-CE2 3.87Å; V43-F88 HydrophobicContact CG1-CZ 3.73Å; F45-F88 HydrophobicContact CB-CD1 3.81Å; F45-F88 HydrophobicContact CB-CD2 3.96Å; F45-F88 HydrophobicContact CB-CE1 3.71Å; F45-F88 HydrophobicContact CB-CE2 3.85Å; F45-F88 HydrophobicContact CB-CG 3.94Å; F45-F88 HydrophobicContact CB-CZ 3.72Å; F45-F88 HydrophobicContact CD1-CB 4.15Å; F45-F88 AromaticContact CD1-CD1 3.91Å; F45-F88 HydrophobicContact CD1-CD1 3.91Å; F45-F88 AromaticContact CD1-CG 3.99Å; F45-F88 HydrophobicContact CD1-CG 3.99Å; F45-F88 HydrophobicContact CD2-CB 3.69Å; F45-F88 HydrophobicContact CD2-CD1 4.16Å; F45-F88 AromaticContact CD2-CD2 3.53Å; F45-F88 HydrophobicContact CD2-CD2 3.53Å; F45-F88 HydrophobicContact CD2-CE2 4.21Å; F45-F88 AromaticContact CD2-CG 3.49Å; F45-F88 HydrophobicContact CD2-CG 3.49Å; F45-F88 VanDerWaalsContact CD2-CG 3.49Å; F45-F88 HydrophobicContact CE1-CB 4.06Å; F45-F88 HydrophobicContact CE1-CG 4.4Å; F45-F88 HydrophobicContact CE2-CB 3.57Å; F45-F88 HydrophobicContact CE2-CD2 4.2Å; F45-F88 AromaticContact CE2-CG 3.94Å; F45-F88 HydrophobicContact CE2-CG 3.94Å; F45-F88 HydrophobicContact CG-CB 3.99Å; F45-F88 AromaticContact CG-CD1 3.69Å; F45-F88 HydrophobicContact CG-CD1 3.69Å; F45-F88 AromaticContact CG-CD2 3.82Å; F45-F88 HydrophobicContact CG-CD2 3.82Å; F45-F88 HydrophobicContact CG-CE1 4.13Å; F45-F88 HydrophobicContact CG-CE2 4.25Å; F45-F88 AromaticContact CG-CG 3.52Å; F45-F88 HydrophobicContact CG-CG 3.52Å; F45-F88 HydrophobicContact CG-CZ 4.39Å; F45-F88 HydrophobicContact CZ-CB 3.75Å; F45-F88 HydrophobicContact CZ-CG 4.37Å; Y50-F88 HydrophobicContact CD1-CE1 4.36Å; Y50-F88 HydrophobicContact CD2-CD1 4.46Å; Y50-F88 AromaticContact CD2-CE1 3.5Å; Y50-F88 HydrophobicContact CD2-CE1 3.5Å; Y50-F88 HydrophobicContact CD2-CZ 4.02Å; Y50-F88 HydrophobicContact CE2-CD1 4.48Å; Y50-F88 AromaticContact CE2-CE1 3.92Å; Y50-F88 HydrophobicContact CE2-CE1 3.92Å; Y50-F88 AromaticContact CG-CE1 3.76Å; Y50-F88 HydrophobicContact CG-CE1 3.76Å; Y50-F88 HydrophobicContact CG-CZ 4.41Å; F52-F88 HydrophobicContact CE2-CZ 4.42Å; E84-F88 WeakPolarHBondContact O-CB 3.34Å; E84-F88 PolarHBondContact O-N 2.8Å; E85-F88 WeakPolarHBondContact O-CB 3.08Å; E85-F88 PolarHBondContact O-N 3Å; N86-F88 VanDerWaalsContact C-N 3.35Å; N86-F88 PolarHBondContact O-N 3.01Å; F88-M90 VanDerWaalsContact C-N 3.3Å; F88-M90 PolarHBondContact O-N 2.8Å; F88-S91 PolarHBondContact O-N 2.92Å; F88-S91 PolarHBondContact O-OG 2.87Å; F88-Y92 HydrophobicContact CE2-CD2 4.48Å; F88-Y92 HydrophobicContact CE2-CG 4.33Å; F88-Y92 WeakPolarHBondContact O-CB 3.38Å; F88-Y92 PolarHBondContact O-N 3.27Å
89	V	97.5	Very high	94	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-58.4	-44.4	179.3	173.5	0	0	0	0	111	F52 L78 E85 N86 S93 I104	F52-V89 HydrophobicContact CE1-CG1 4.3Å; F52-V89 HydrophobicContact CZ-CG1 4.48Å; L78-V89 HydrophobicContact CD1-CG2 3.9Å; L78-V89 HydrophobicContact CD2-CG1 3.92Å; L78-V89 HydrophobicContact CD2-CG2 4.08Å; E85-V89 WeakPolarHBondContact O-CG2 3.37Å; E85-V89 PolarHBondContact O-N 3.08Å; N86-V89 PolarHBondContact O-N 2.86Å; V89-S93 VanDerWaalsContact O-CB 3.32Å; V89-S93 WeakPolarHBondContact O-CB 3.42Å; V89-S93 PolarHBondContact O-N 2.98Å; V89-S93 PolarHBondContact O-OG 2.72Å; V89-I104 HydrophobicContact CG1-CD1 3.58Å
90	M	96.1	Very high	93	Very high	41 Å²	41	47 Å²	47	20%	0.202	28%	0.283	C	S	.	.	H	α-helix	trans	-60.1	-50.9	176.5	-67.8	173.5	66.4	0	0	111.9	N86 D87 F88 Y92 S93 P94 L148 S150 V151 G153	N86-M90 WeakPolarHBondContact O-CG 3.47Å; N86-M90 PolarHBondContact O-N 2.84Å; N86-M90 VanDerWaalsContact O-N 3.09Å; D87-M90 PolarHBondContact O-N 3.05Å; F88-M90 VanDerWaalsContact C-N 3.3Å; F88-M90 PolarHBondContact O-N 2.8Å; M90-Y92 VanDerWaalsContact C-N 3.32Å; M90-Y92 PolarHBondContact O-N 3.13Å; M90-S93 PolarHBondContact O-OG 2.74Å; M90-P94 WeakPolarHBondContact O-CD 3.25Å; M90-L148 HydrophobicContact CG-CD2 4.47Å; M90-S150 WeakPolarHBondContact CG-O 3.38Å; M90-V151 WeakPolarHBondContact CE-O 3.45Å; M90-G153 VanDerWaalsContact CE-N 3.32Å; M90-G153 WeakPolarHBondContact SD-CA 3.39Å
91	S	95.2	Very high	92.4	Very high	72 Å²	72	50.7 Å²	50.7	50%	0.503	31%	0.309	S	S	.	.	H	α-helix	trans	-65.6	-34	-175.8	68	0	0	0	0	113.4	D87 F88 P94	D87-S91 WeakPolarHBondContact O-CB 3.37Å; D87-S91 PolarHBondContact O-N 2.64Å; D87-S91 PolarHBondContact O-OG 2.74Å; F88-S91 PolarHBondContact O-N 2.92Å; F88-S91 PolarHBondContact O-OG 2.87Å; S91-P94 WeakPolarHBondContact O-CD 3.32Å; S91-P94 WeakPolarHBondContact O-CG 3.2Å
92	Y	94.8	Very high	92.1	Very high	47 Å²	47	49.9 Å²	49.9	18%	0.184	31%	0.306	C	S	.	.	H	α-helix	trans	-86.7	-28.4	-177	-162.1	-95.9	0	0	0	113.2	V43 F52 F88 M90 P94 E95 V96	V43-Y92 HydrophobicContact CB-CE1 4.31Å; V43-Y92 HydrophobicContact CG1-CD2 4.2Å; V43-Y92 HydrophobicContact CG1-CE1 4.21Å; V43-Y92 HydrophobicContact CG1-CE2 3.89Å; V43-Y92 HydrophobicContact CG1-CG 4.49Å; V43-Y92 HydrophobicContact CG2-CD1 4.17Å; V43-Y92 HydrophobicContact CG2-CE1 3.35Å; V43-Y92 HydrophobicContact CG2-CE2 4.27Å; V43-Y92 VanDerWaalsContact CG2-CZ 3.41Å; V43-Y92 WeakPolarHBondContact CG2-OH 3.47Å; F52-Y92 AromaticContact CD2-CD1 3.64Å; F52-Y92 HydrophobicContact CD2-CD1 3.64Å; F52-Y92 AromaticContact CD2-CE1 3.92Å; F52-Y92 HydrophobicContact CD2-CE1 3.92Å; F52-Y92 HydrophobicContact CE1-CD1 4.28Å; F52-Y92 AromaticContact CE2-CD1 3.38Å; F52-Y92 HydrophobicContact CE2-CD1 3.38Å; F52-Y92 HydrophobicContact CE2-CE1 4.05Å; F52-Y92 HydrophobicContact CE2-CG 4.24Å; F52-Y92 HydrophobicContact CG-CD1 4.23Å; F52-Y92 AromaticContact CZ-CD1 3.74Å; F52-Y92 HydrophobicContact CZ-CD1 3.74Å; F52-Y92 HydrophobicContact CZ-CG 4.34Å; F88-Y92 HydrophobicContact CE2-CD2 4.48Å; F88-Y92 HydrophobicContact CE2-CG 4.33Å; F88-Y92 WeakPolarHBondContact O-CB 3.38Å; F88-Y92 PolarHBondContact O-N 3.27Å; M90-Y92 VanDerWaalsContact C-N 3.32Å; M90-Y92 PolarHBondContact O-N 3.13Å; Y92-P94 VanDerWaalsContact C-CD 3.49Å; Y92-E95 HydrophobicContact CD2-CG 4.46Å; Y92-E95 WeakPolarHBondContact CD2-OE2 3.35Å; Y92-E95 HydrophobicContact CE2-CB 4.48Å; Y92-E95 WeakPolarHBondContact CE2-OE2 3.47Å; Y92-E95 VanDerWaalsContact O-CB 3.32Å; Y92-E95 WeakPolarHBondContact O-CB 3.49Å; Y92-E95 PolarHBondContact O-N 2.8Å; Y92-V96 HydrophobicContact CD1-CG2 3.84Å; Y92-V96 HydrophobicContact CE1-CG2 3.33Å
93	S	93.4	Very high	91.9	Very high	7 Å²	7	50 Å²	50	5%	0.049	30%	0.304	C	S	.	.	H	α-helix	trans	-49.9	-45.9	178.6	67.3	0	0	0	0	114.8	V89 M90 E95 V96 W97	V89-S93 VanDerWaalsContact O-CB 3.32Å; V89-S93 WeakPolarHBondContact O-CB 3.42Å; V89-S93 PolarHBondContact O-N 2.98Å; V89-S93 PolarHBondContact O-OG 2.72Å; M90-S93 PolarHBondContact O-OG 2.74Å; S93-E95 PolarHBondContact O-N 3.22Å; S93-V96 PolarHBondContact O-N 3.17Å; S93-W97 WeakPolarHBondContact O-CB 3.5Å; S93-W97 PolarHBondContact O-N 3.46Å
94	P	91.5	Very high	91.9	Very high	81 Å²	81	48.1 Å²	48.1	53%	0.526	29%	0.289	S	S	.	.	H	α-helix	trans	-70.6	-14.9	177.9	30.7	-39	0	0	0	114.2	M90 S91 Y92 V96	M90-P94 WeakPolarHBondContact O-CD 3.25Å; S91-P94 WeakPolarHBondContact O-CD 3.32Å; S91-P94 WeakPolarHBondContact O-CG 3.2Å; Y92-P94 VanDerWaalsContact C-CD 3.49Å; P94-V96 VanDerWaalsContact C-N 3.32Å
95	E	90.3	Very high	91.9	Very high	121 Å²	121	42 Å²	42	57%	0.565	26%	0.26	S	S	*	.	H	α-helix	trans	-72.3	-31.3	174.5	-58.9	-170.6	-170.4	0	0	111.4	Y92 S93	Y92-E95 HydrophobicContact CD2-CG 4.46Å; Y92-E95 WeakPolarHBondContact CD2-OE2 3.35Å; Y92-E95 HydrophobicContact CE2-CB 4.48Å; Y92-E95 WeakPolarHBondContact CE2-OE2 3.47Å; Y92-E95 VanDerWaalsContact O-CB 3.32Å; Y92-E95 WeakPolarHBondContact O-CB 3.49Å; Y92-E95 PolarHBondContact O-N 2.8Å; S93-E95 PolarHBondContact O-N 3.22Å
96	V	89.4	Confident	91.9	Very high	16 Å²	16	42 Å²	42	10%	0.097	26%	0.26	C	S	.	.	H	α-helix	trans	-98.2	-39.1	-176.8	-178.6	0	0	0	0	112.5	F52 H54 D58 Y92 S93 P94	F52-V96 HydrophobicContact CB-CB 4.15Å; F52-V96 HydrophobicContact CB-CG1 3.83Å; F52-V96 HydrophobicContact CB-CG2 4Å; F52-V96 HydrophobicContact CG-CG2 4.25Å; H54-V96 HydrophobicContact CB-CG1 3.81Å; D58-V96 WeakPolarHBondContact CB-O 3.35Å; Y92-V96 HydrophobicContact CD1-CG2 3.84Å; Y92-V96 HydrophobicContact CE1-CG2 3.33Å; S93-V96 PolarHBondContact O-N 3.17Å; P94-V96 VanDerWaalsContact C-N 3.32Å
97	W	90.8	Very high	91.8	Very high	5 Å²	5	42 Å²	42	2%	0.019	26%	0.261	C	S	.	.	S	Bend	trans	-106	81.6	-172.2	-74.1	-27.2	0	0	0	110.4	F52 V53 I60 S93 V102 I104 V169	F52-W97 HydrophobicContact CB-CZ2 4.33Å; F52-W97 AromaticContact CD1-CH2 3.96Å; F52-W97 HydrophobicContact CD1-CH2 3.96Å; F52-W97 HydrophobicContact CD1-CZ2 4.22Å; F52-W97 HydrophobicContact CD1-CZ3 4.22Å; V53-W97 PolarHBondContact O-NE1 3.05Å; I60-W97 HydrophobicContact CD1-CB 3.76Å; I60-W97 HydrophobicContact CD1-CG 4.38Å; I60-W97 HydrophobicContact CG1-CB 3.63Å; I60-W97 HydrophobicContact CG1-CG 4.02Å; I60-W97 HydrophobicContact CG2-CG 4.4Å; S93-W97 WeakPolarHBondContact O-CB 3.5Å; S93-W97 PolarHBondContact O-N 3.46Å; W97-V102 HydrophobicContact CD2-CG1 3.98Å; W97-V102 HydrophobicContact CE3-CG1 3.47Å; W97-V102 VanDerWaalsContact CE3-CG1 3.47Å; W97-V102 HydrophobicContact CH2-CG1 4.29Å; W97-V102 HydrophobicContact CZ3-CG1 3.65Å; W97-I104 HydrophobicContact CH2-CD1 3.99Å; W97-I104 HydrophobicContact CH2-CG1 3.91Å; W97-I104 HydrophobicContact CH2-CG2 4.36Å; W97-I104 HydrophobicContact CZ3-CD1 3.53Å; W97-I104 HydrophobicContact CZ3-CG1 3.6Å; W97-V169 HydrophobicContact CH2-CG2 3.82Å; W97-V169 HydrophobicContact CZ2-CG2 4.39Å
98	K	83.5	Confident	91.7	Very high	109 Å²	109	37.5 Å²	37.5	47%	0.474	24%	0.236	S	C	.	.	B	Isolated β-bridge	trans	-74.3	141.3	-177.8	-66.2	176.2	-175.2	151.7	0	110.2	D58	D58-K98 HydrophobicContact CB-CD 4.08Å; D58-K98 HydrophobicContact CB-CG 4.34Å; D58-K98 PolarHBondContact O-N 3.39Å; D58-K98 VanDerWaalsContact O-N 3.15Å; D58-K98 IonicContact OD2-NZ 2.8Å; D58-K98 PolarHBondContact OD2-NZ 2.68Å
99	G	73.4	Confident	91.6	Very high	88 Å²	88	39.9 Å²	39.9	91%	0.907	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	94.6	5.1	171.5	0	0	0	0	0	116.2
100	G	77.4	Confident	91.3	Very high	48 Å²	48	41.6 Å²	41.6	50%	0.495	25%	0.254	S	S	.	.	S	Bend	trans	177.4	179.2	172.2	0	0	0	0	0	114.2
101	S	84.4	Confident	91.2	Very high	79 Å²	79	41.5 Å²	41.5	55%	0.552	25%	0.254	S	S	*	.			trans	-105.4	134.8	167.7	54.5	0	0	0	0	109.4	V151	S101-V151 VanDerWaalsContact CB-CG2 3.4Å
102	V	89.6	Confident	90.9	Very high	16 Å²	16	41.7 Å²	41.7	10%	0.097	25%	0.252	C	S	.	.			trans	-123.8	145.1	174.4	72.3	0	0	0	0	109.7	I60 W97 S150	I60-V102 HydrophobicContact CD1-CB 4.12Å; I60-V102 HydrophobicContact CD1-CG1 4.3Å; I60-V102 HydrophobicContact CG2-CB 3.69Å; I60-V102 HydrophobicContact CG2-CG1 3.68Å; I60-V102 HydrophobicContact CG2-CG2 3.85Å; W97-V102 HydrophobicContact CD2-CG1 3.98Å; W97-V102 HydrophobicContact CE3-CG1 3.47Å; W97-V102 VanDerWaalsContact CE3-CG1 3.47Å; W97-V102 HydrophobicContact CH2-CG1 4.29Å; W97-V102 HydrophobicContact CZ3-CG1 3.65Å; V102-S150 PolarHBondContact N-OG 3.49Å; V102-S150 WeakPolarHBondContact O-CB 3.48Å; V102-S150 PolarHBondContact O-OG 3.24Å
103	N	94.6	Very high	90.8	Very high	36 Å²	36	46.5 Å²	46.5	19%	0.193	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	153.5	165.2	-77.5	-9.3	0	0	0	109.7	A147 L148 H149 E156 N166 G167	N103-A147 HydrophobicContact CB-CB 4.32Å; N103-L148 CarbonylContact C-O 3.54Å; N103-L148 VanDerWaalsContact CA-O 3.29Å; N103-L148 WeakPolarHBondContact CA-O 3.43Å; N103-H149 VanDerWaalsContact OD1-CA 3.31Å; N103-H149 WeakPolarHBondContact OD1-CA 3.23Å; N103-H149 PolarHBondContact OD1-CD2 3.36Å; N103-E156 PolarHBondContact ND2-OE1 2.75Å; N103-N166 HydrophobicContact CB-CB 4.35Å; N103-N166 WeakPolarHBondContact CB-OD1 3.31Å; N103-N166 WeakPolarHBondContact O-CB 3.22Å; N103-G167 PolarHBondContact O-N 2.83Å
104	I	97.3	Very high	90.7	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	128.6	-175.4	-51.6	177.9	0	0	0	108.6	L78 V89 W97 L106 A147 L148 G167 V169	L78-I104 HydrophobicContact CD2-CG2 3.87Å; V89-I104 HydrophobicContact CG1-CD1 3.58Å; W97-I104 HydrophobicContact CH2-CD1 3.99Å; W97-I104 HydrophobicContact CH2-CG1 3.91Å; W97-I104 HydrophobicContact CH2-CG2 4.36Å; W97-I104 HydrophobicContact CZ3-CD1 3.53Å; W97-I104 HydrophobicContact CZ3-CG1 3.6Å; I104-L106 PolarHBondContact O-N 3.15Å; I104-A147 CarbonylContact O-C 3.49Å; I104-A147 VanDerWaalsContact O-CA 3.23Å; I104-A147 WeakPolarHBondContact O-CA 3.29Å; I104-L148 HydrophobicContact CB-CB 4.46Å; I104-L148 HydrophobicContact CD1-CD2 4.14Å; I104-L148 PolarHBondContact N-O 3.05Å; I104-L148 PolarHBondContact O-N 3.19Å; I104-G167 WeakPolarHBondContact CA-O 3.09Å; I104-V169 HydrophobicContact CG2-CB 4.3Å; I104-V169 HydrophobicContact CG2-CG2 3.73Å
105	W	98	Very high	90.6	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	128	172.2	-74.2	121.7	0	0	0	111.2	Y63 F65 A68 L77 C145 V158 V164 N166 G167	Y63-W105 PolarHBondContact O-NE1 3.31Å; F65-W105 HydrophobicContact CB-CD2 4.47Å; F65-W105 HydrophobicContact CB-CH2 4.14Å; F65-W105 HydrophobicContact CB-CZ2 4.04Å; F65-W105 HydrophobicContact CB-CZ3 4.37Å; F65-W105 AromaticContact CD2-CD2 3.89Å; F65-W105 HydrophobicContact CD2-CD2 3.89Å; F65-W105 AromaticContact CD2-CE3 3.67Å; F65-W105 HydrophobicContact CD2-CE3 3.67Å; F65-W105 HydrophobicContact CD2-CG 4.35Å; F65-W105 HydrophobicContact CD2-CZ3 4.03Å; F65-W105 HydrophobicContact CE2-CE3 4.41Å; A68-W105 HydrophobicContact CB-CG 4.21Å; L77-W105 HydrophobicContact CD2-CB 4.16Å; W105-C145 HydrophobicContact CE3-CB 4.41Å; W105-C145 HydrophobicContact CZ3-CB 3.72Å; W105-V158 HydrophobicContact CE3-CG2 4.24Å; W105-V158 HydrophobicContact CH2-CG2 3.78Å; W105-V158 HydrophobicContact CZ3-CG2 3.28Å; W105-V164 HydrophobicContact CH2-CB 4.29Å; W105-V164 HydrophobicContact CH2-CG1 3.77Å; W105-V164 HydrophobicContact CZ2-CB 4.43Å; W105-V164 HydrophobicContact CZ2-CG1 3.97Å; W105-V164 WeakPolarHBondContact CZ2-O 3.39Å; W105-N166 HydrophobicContact CD2-CB 3.8Å; W105-N166 HydrophobicContact CG-CB 3.83Å; W105-N166 WeakPolarHBondContact CH2-ND2 3.46Å; W105-N166 HydrophobicContact CZ2-CB 4.23Å; W105-N166 WeakPolarHBondContact CZ2-ND2 3.4Å; W105-N166 WeakPolarHBondContact CZ3-ND2 3.36Å; W105-G167 PolarHBondContact N-O 2.79Å
106	L	98.3	Very high	90.6	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	143.1	162.5	-62.6	-170.3	0	0	0	108.4	L78 I80 I104 M108 W119 V146 L148 W155	L78-L106 HydrophobicContact CD2-CD2 3.76Å; L78-L106 HydrophobicContact CG-CD2 3.99Å; L78-L106 CarbonylContact O-C 3.48Å; I80-L106 HydrophobicContact CD1-CD2 3.73Å; I80-L106 HydrophobicContact CG1-CD2 4.16Å; I104-L106 PolarHBondContact O-N 3.15Å; L106-M108 HydrophobicContact CB-CB 4.31Å; L106-M108 PolarHBondContact O-N 2.95Å; L106-W119 HydrophobicContact CB-CZ3 4.03Å; L106-W119 HydrophobicContact CD1-CH2 4.16Å; L106-W119 HydrophobicContact CD1-CZ3 4.49Å; L106-V146 HydrophobicContact CB-CB 4.26Å; L106-V146 HydrophobicContact CB-CG1 4.48Å; L106-V146 WeakPolarHBondContact CB-O 3.13Å; L106-V146 HydrophobicContact CD1-CB 4.47Å; L106-V146 HydrophobicContact CD1-CG1 3.82Å; L106-V146 HydrophobicContact CG-CG1 4.44Å; L106-V146 PolarHBondContact N-O 3.17Å; L106-L148 HydrophobicContact CD1-CB 4.43Å; L106-L148 HydrophobicContact CD2-CB 3.99Å; L106-L148 HydrophobicContact CG-CB 4.21Å; L106-W155 HydrophobicContact CD1-CD2 3.61Å; L106-W155 HydrophobicContact CD1-CE3 3.98Å; L106-W155 HydrophobicContact CD1-CG 3.85Å; L106-W155 HydrophobicContact CD1-CZ2 4.32Å; L106-W155 HydrophobicContact CD1-CZ3 4.43Å
107	G	97.3	Very high	90.8	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.01	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	39.3	169.2	0	0	0	0	0	112.6	L78 W119 S120	L78-G107 PolarHBondContact O-N 3.35Å; G107-W119 CarbonylContact O-C 3.6Å; G107-W119 WeakPolarHBondContact O-CA 3.27Å; G107-S120 WeakPolarHBondContact O-CB 3.17Å; G107-S120 PolarHBondContact O-N 2.9Å; G107-S120 PolarHBondContact O-OG 3.17Å
108	M	95.9	Very high	91	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	131.8	-179.4	-178.2	172.4	-74.8	0	0	109.9	L106 M117 K118 W119 V125 W130 V146 W155	L106-M108 HydrophobicContact CB-CB 4.31Å; L106-M108 PolarHBondContact O-N 2.95Å; M108-M117 HydrophobicContact CG-CB 4.04Å; M108-M117 HydrophobicContact CG-SD 4.26Å; M108-M117 HydrophobicContact SD-CB 3.76Å; M108-M117 HydrophobicContact SD-CG 4.16Å; M108-M117 HydrophobicContact SD-SD 4.45Å; M108-K118 VanDerWaalsContact CA-O 3.31Å; M108-K118 WeakPolarHBondContact CA-O 3.02Å; M108-W119 HydrophobicContact CB-CE3 3.76Å; M108-W119 HydrophobicContact CB-CH2 4.41Å; M108-W119 HydrophobicContact CB-CZ3 3.71Å; M108-W119 HydrophobicContact CE-CD2 3.61Å; M108-W119 HydrophobicContact CE-CE3 3.87Å; M108-W119 HydrophobicContact CE-CG 4.33Å; M108-W119 HydrophobicContact CE-CH2 3.58Å; M108-W119 HydrophobicContact CE-CZ2 3.28Å; M108-W119 HydrophobicContact CE-CZ3 3.87Å; M108-V125 HydrophobicContact CE-CB 4.49Å; M108-V125 HydrophobicContact CE-CG1 3.91Å; M108-V125 HydrophobicContact CE-CG2 3.72Å; M108-W130 HydrophobicContact SD-CH2 4.07Å; M108-W130 HydrophobicContact SD-CZ2 4.18Å; M108-V146 HydrophobicContact CB-CB 4.09Å; M108-V146 HydrophobicContact CB-CG2 3.94Å; M108-V146 HydrophobicContact CG-CB 4.38Å; M108-V146 HydrophobicContact CG-CG2 3.71Å; M108-V146 PolarHBondContact O-N 2.84Å; M108-V146 HydrophobicContact SD-CB 4.49Å; M108-V146 HydrophobicContact SD-CG2 3.85Å; M108-W155 HydrophobicContact CE-CZ3 4.17Å; M108-W155 HydrophobicContact SD-CZ3 4.49Å
109	K	94.1	Very high	91.6	Very high	71 Å²	71	47.9 Å²	47.9	31%	0.309	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	149.7	174.9	-168.3	177.6	175.7	175.4	0	109.7	K118 G142 I144	K109-K118 PolarHBondContact N-O 3.32Å; K109-K118 PolarHBondContact O-N 3.04Å; K109-G142 WeakPolarHBondContact CE-O 3.49Å; K109-G142 PolarHBondContact NZ-O 2.99Å; K109-G142 VanDerWaalsContact NZ-O 3.11Å; K109-I144 WeakPolarHBondContact CG-O 3.46Å
110	Y	93.1	Very high	92.5	Very high	36 Å²	36	46.7 Å²	46.7	14%	0.141	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	131.2	169.4	-165	-96.5	0	0	0	111	T112 D115 M117 Q141 I144	Y110-T112 HydrophobicContact CD1-CG2 4.15Å; Y110-T112 HydrophobicContact CE1-CG2 4.41Å; Y110-D115 VanDerWaalsContact OH-CG 3.23Å; Y110-D115 PolarHBondContact OH-OD1 3.09Å; Y110-M117 HydrophobicContact CD2-CE 3.84Å; Y110-M117 HydrophobicContact CD2-CG 4.39Å; Y110-M117 HydrophobicContact CD2-SD 3.85Å; Y110-M117 HydrophobicContact CG-SD 4.43Å; Y110-Q141 WeakPolarHBondContact CB-O 3.4Å; Y110-Q141 HydrophobicContact CD1-CB 3.9Å; Y110-Q141 WeakPolarHBondContact CD1-O 3.37Å; Y110-Q141 HydrophobicContact CE1-CB 3.78Å; Y110-Q141 HydrophobicContact CE1-CG 4.07Å; Y110-I144 PolarHBondContact N-O 2.83Å
111	D	92.1	Very high	93.2	Very high	39 Å²	39	46.9 Å²	46.9	21%	0.209	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	115.3	173	-170.2	-32.8	0	0	0	108.7	D113 D114 D115 T116 K118	D111-D113 VanDerWaalsContact C-N 3.32Å; D111-D113 WeakPolarHBondContact OD1-CB 3.41Å; D111-D113 PolarHBondContact OD1-N 3.46Å; D111-D114 PolarHBondContact OD1-N 2.91Å; D111-D115 WeakPolarHBondContact O-CA 3.24Å; D111-D115 PolarHBondContact O-N 3.25Å; D111-T116 WeakPolarHBondContact CB-O 3.3Å; D111-T116 PolarHBondContact N-O 3.5Å; D111-T116 PolarHBondContact O-N 3.32Å; D111-K118 HydrophobicContact CB-CD 3.89Å; D111-K118 HydrophobicContact CB-CG 4.15Å; D111-K118 WeakPolarHBondContact OD2-CD 3.32Å; D111-K118 VanDerWaalsContact OD2-CE 3.22Å; D111-K118 WeakPolarHBondContact OD2-CE 3.42Å; D111-K118 IonicContact OD2-NZ 2.74Å; D111-K118 PolarHBondContact OD2-NZ 2.88Å
112	T	90.9	Very high	93.4	Very high	76 Å²	76	49.7 Å²	49.7	47%	0.466	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-21.9	-179.2	50.8	0	0	0	0	113.5	Y110 Q141	Y110-T112 HydrophobicContact CD1-CG2 4.15Å; Y110-T112 HydrophobicContact CE1-CG2 4.41Å; T112-Q141 HydrophobicContact CG2-CB 4.21Å
113	D	91.8	Very high	93.5	Very high	147 Å²	147	55.3 Å²	55.3	79%	0.786	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-39.5	-179.2	-64.1	-25.9	0	0	0	110.4	D111	D111-D113 VanDerWaalsContact C-N 3.32Å; D111-D113 WeakPolarHBondContact OD1-CB 3.41Å; D111-D113 PolarHBondContact OD1-N 3.46Å
114	D	90.3	Very high	93.4	Very high	96 Å²	96	57.8 Å²	57.8	51%	0.513	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	1.6	-179.9	-75.5	-15.6	0	0	0	113.6	D111 T116 K118	D111-D114 PolarHBondContact OD1-N 2.91Å; D114-T116 WeakPolarHBondContact CB-OG1 2.98Å; D114-T116 WeakPolarHBondContact O-CG2 3.17Å; D114-T116 PolarHBondContact O-N 3.49Å; D114-T116 PolarHBondContact O-OG1 3.16Å; D114-K118 VanDerWaalsContact OD2-CE 3.24Å; D114-K118 WeakPolarHBondContact OD2-CE 3.43Å; D114-K118 IonicContact OD2-NZ 3.31Å; D114-K118 PolarHBondContact OD2-NZ 3.41Å
115	D	90.1	Very high	93.3	Very high	102 Å²	102	60.3 Å²	60.3	55%	0.545	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.7	37.9	-178.8	-157.1	47.9	0	0	0	113.3	Y110 D111	Y110-D115 VanDerWaalsContact OH-CG 3.23Å; Y110-D115 PolarHBondContact OH-OD1 3.09Å; D111-D115 WeakPolarHBondContact O-CA 3.24Å; D111-D115 PolarHBondContact O-N 3.25Å
116	T	91.4	Very high	93.2	Very high	66 Å²	66	65.2 Å²	65.2	41%	0.405	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	155.9	-171.4	49.9	0	0	0	0	113.3	D111 D114	D111-T116 WeakPolarHBondContact CB-O 3.3Å; D111-T116 PolarHBondContact N-O 3.5Å; D111-T116 PolarHBondContact O-N 3.32Å; D114-T116 WeakPolarHBondContact CB-OG1 2.98Å; D114-T116 WeakPolarHBondContact O-CG2 3.17Å; D114-T116 PolarHBondContact O-N 3.49Å; D114-T116 PolarHBondContact O-OG1 3.16Å
117	M	92.4	Very high	93.1	Very high	37 Å²	37	67.2 Å²	67.2	18%	0.182	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	132.5	170	-69.2	-64.4	-175.9	0	0	111	M108 Y110 V125 W130 I144 V146 N157	M108-M117 HydrophobicContact CG-CB 4.04Å; M108-M117 HydrophobicContact CG-SD 4.26Å; M108-M117 HydrophobicContact SD-CB 3.76Å; M108-M117 HydrophobicContact SD-CG 4.16Å; M108-M117 HydrophobicContact SD-SD 4.45Å; Y110-M117 HydrophobicContact CD2-CE 3.84Å; Y110-M117 HydrophobicContact CD2-CG 4.39Å; Y110-M117 HydrophobicContact CD2-SD 3.85Å; Y110-M117 HydrophobicContact CG-SD 4.43Å; M117-V125 WeakPolarHBondContact O-CG2 3.25Å; M117-W130 HydrophobicContact CE-CH2 4.23Å; M117-W130 HydrophobicContact CG-CH2 4.41Å; M117-W130 HydrophobicContact CG-CZ2 4.3Å; M117-I144 HydrophobicContact CE-CG2 3.7Å; M117-V146 HydrophobicContact CE-CG2 4.36Å; M117-V146 HydrophobicContact SD-CG2 4.21Å; M117-N157 WeakPolarHBondContact CE-OD1 3.29Å
118	K	95.1	Very high	93	Very high	63 Å²	63	70.3 Å²	70.3	27%	0.274	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	138.6	178.6	-69.5	-171.4	-178.4	170.6	0	112.7	M108 K109 D111 D114	M108-K118 VanDerWaalsContact CA-O 3.31Å; M108-K118 WeakPolarHBondContact CA-O 3.02Å; K109-K118 PolarHBondContact N-O 3.32Å; K109-K118 PolarHBondContact O-N 3.04Å; D111-K118 HydrophobicContact CB-CD 3.89Å; D111-K118 HydrophobicContact CB-CG 4.15Å; D111-K118 WeakPolarHBondContact OD2-CD 3.32Å; D111-K118 VanDerWaalsContact OD2-CE 3.22Å; D111-K118 WeakPolarHBondContact OD2-CE 3.42Å; D111-K118 IonicContact OD2-NZ 2.74Å; D111-K118 PolarHBondContact OD2-NZ 2.88Å; D114-K118 VanDerWaalsContact OD2-CE 3.24Å; D114-K118 WeakPolarHBondContact OD2-CE 3.43Å; D114-K118 IonicContact OD2-NZ 3.31Å; D114-K118 PolarHBondContact OD2-NZ 3.41Å
119	W	96.8	Very high	93.1	Very high	5 Å²	5	72 Å²	72	2%	0.019	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	143.7	166.7	-67.8	121.2	0	0	0	110.9	T79 I80 H81 L106 G107 M108 N121 N122 V125 W155	T79-W119 HydrophobicContact CG2-CB 4.22Å; T79-W119 HydrophobicContact CG2-CD2 3.92Å; T79-W119 HydrophobicContact CG2-CE3 3.5Å; T79-W119 HydrophobicContact CG2-CG 4.26Å; T79-W119 HydrophobicContact CG2-CZ3 4.12Å; I80-W119 HydrophobicContact CB-CH2 4.29Å; I80-W119 VanDerWaalsContact N-CH2 3.32Å; I80-W119 WeakPolarHBondContact O-CZ2 3.4Å; H81-W119 AromaticContact CE1-CD1 3.84Å; H81-W119 AromaticContact CE1-NE1 3.85Å; L106-W119 HydrophobicContact CB-CZ3 4.03Å; L106-W119 HydrophobicContact CD1-CH2 4.16Å; L106-W119 HydrophobicContact CD1-CZ3 4.49Å; G107-W119 CarbonylContact O-C 3.6Å; G107-W119 WeakPolarHBondContact O-CA 3.27Å; M108-W119 HydrophobicContact CB-CE3 3.76Å; M108-W119 HydrophobicContact CB-CH2 4.41Å; M108-W119 HydrophobicContact CB-CZ3 3.71Å; M108-W119 HydrophobicContact CE-CD2 3.61Å; M108-W119 HydrophobicContact CE-CE3 3.87Å; M108-W119 HydrophobicContact CE-CG 4.33Å; M108-W119 HydrophobicContact CE-CH2 3.58Å; M108-W119 HydrophobicContact CE-CZ2 3.28Å; M108-W119 HydrophobicContact CE-CZ3 3.87Å; W119-N121 WeakPolarHBondContact CB-OD1 3.27Å; W119-N121 PolarHBondContact O-N 2.95Å; W119-N122 WeakPolarHBondContact O-CA 3.46Å; W119-N122 PolarHBondContact O-N 2.86Å; W119-V125 HydrophobicContact CG-CG2 4.48Å; W119-W155 AromaticContact CH2-CH2 3.9Å; W119-W155 HydrophobicContact CH2-CH2 3.9Å; W119-W155 HydrophobicContact CH2-CZ3 4.13Å; W119-W155 AromaticContact CZ2-CH2 3.76Å; W119-W155 HydrophobicContact CZ2-CH2 3.76Å; W119-W155 HydrophobicContact CZ2-CZ3 4.06Å
120	S	92.6	Very high	93.2	Very high	63 Å²	63	71.5 Å²	71.5	44%	0.441	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-25	176.4	60.7	0	0	0	0	113.1	G107 N122	G107-S120 WeakPolarHBondContact O-CB 3.17Å; G107-S120 PolarHBondContact O-N 2.9Å; G107-S120 PolarHBondContact O-OG 3.17Å; S120-N122 PolarHBondContact O-N 2.85Å
121	N	90.4	Very high	93	Very high	51 Å²	51	70.9 Å²	70.9	27%	0.273	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	5.3	173.4	69	12.5	0	0	0	113.3	T79 W119 R123 E171	T79-N121 WeakPolarHBondContact CG2-ND2 3.35Å; T79-N121 PolarHBondContact OG1-ND2 3.1Å; W119-N121 WeakPolarHBondContact CB-OD1 3.27Å; W119-N121 PolarHBondContact O-N 2.95Å; N121-R123 PolarHBondContact O-N 3.36Å; N121-R123 VanDerWaalsContact O-N 3.08Å; N121-R123 VanDerWaalsContact OD1-CB 3.24Å; N121-R123 WeakPolarHBondContact OD1-CB 3.39Å; N121-R123 WeakPolarHBondContact OD1-CG 3.13Å; N121-R123 PolarHBondContact OD1-N 3.37Å; N121-E171 PolarHBondContact ND2-OE1 3.22Å
122	N	90.4	Very high	92.2	Very high	139 Å²	139	80.4 Å²	80.4	74%	0.743	42%	0.424	S	S	*	.			trans	59.3	16.3	179	-150.6	56.2	0	0	0	114.6	W119 S120	W119-N122 WeakPolarHBondContact O-CA 3.46Å; W119-N122 PolarHBondContact O-N 2.86Å; S120-N122 PolarHBondContact O-N 2.85Å
123	R	91.3	Very high	91.1	Very high	133 Å²	133	81.1 Å²	81.1	50%	0.502	43%	0.432	S	S	.	.			trans	-77.9	155.4	171.1	-65.4	-176.8	171.2	-157.7	-2.1	110.2	N121	N121-R123 PolarHBondContact O-N 3.36Å; N121-R123 VanDerWaalsContact O-N 3.08Å; N121-R123 VanDerWaalsContact OD1-CB 3.24Å; N121-R123 WeakPolarHBondContact OD1-CB 3.39Å; N121-R123 WeakPolarHBondContact OD1-CG 3.13Å; N121-R123 PolarHBondContact OD1-N 3.37Å
124	S	92.9	Very high	89.7	Confident	88 Å²	88	75.7 Å²	75.7	62%	0.615	40%	0.404	S	S	*	.			trans	-66.1	146.5	175	52	0	0	0	0	111.5	T126	S124-T126 PolarHBondContact O-N 3.19Å
125	V	95.2	Very high	88.5	Confident	54 Å²	54	79.1 Å²	79.1	33%	0.327	42%	0.415	S	S	.	.			trans	-79.2	97.9	172.9	-175	0	0	0	0	108.5	M108 M117 W119 T128	M108-V125 HydrophobicContact CE-CB 4.49Å; M108-V125 HydrophobicContact CE-CG1 3.91Å; M108-V125 HydrophobicContact CE-CG2 3.72Å; M117-V125 WeakPolarHBondContact O-CG2 3.25Å; W119-V125 HydrophobicContact CG-CG2 4.48Å; V125-T128 HydrophobicContact CG1-CG2 3.64Å
126	T	94.8	Very high	87.5	Confident	102 Å²	102	76.3 Å²	76.3	63%	0.626	40%	0.404	S	S	*	.			trans	-100.8	-14.4	-179.1	54.6	0	0	0	0	113.7	S124	S124-T126 PolarHBondContact O-N 3.19Å
127	F	96.8	Very high	86.4	Confident	43 Å²	43	78.8 Å²	78.8	19%	0.189	42%	0.421	C	S	.	.			trans	-137.6	143.2	-179.9	174.2	-97.7	0	0	0	109	I80 H81 A83 N86 N129 W155	I80-F127 HydrophobicContact CG2-CD1 3.71Å; I80-F127 HydrophobicContact CG2-CE1 3.74Å; H81-F127 VanDerWaalsContact C-CB 3.5Å; H81-F127 WeakPolarHBondContact O-CB 3.32Å; A83-F127 HydrophobicContact CB-CE2 3.85Å; A83-F127 HydrophobicContact CB-CZ 4.05Å; N86-F127 HydrophobicContact CB-CE1 4.1Å; N86-F127 HydrophobicContact CB-CZ 4.37Å; F127-N129 HydrophobicContact CE1-CB 4.03Å; F127-N129 HydrophobicContact CZ-CB 3.97Å; F127-W155 AromaticContact CD1-CH2 3.9Å; F127-W155 HydrophobicContact CD1-CH2 3.9Å; F127-W155 AromaticContact CD1-CZ2 3.76Å; F127-W155 HydrophobicContact CD1-CZ2 3.76Å; F127-W155 HydrophobicContact CE1-CH2 4.3Å; F127-W155 AromaticContact CE1-CZ2 3.72Å; F127-W155 HydrophobicContact CE1-CZ2 3.72Å; F127-W155 VanDerWaalsContact O-CH2 3.3Å; F127-W155 WeakPolarHBondContact O-CH2 3.39Å
128	T	96.1	Very high	85.9	Confident	66 Å²	66	84 Å²	84	41%	0.405	45%	0.45	S	S	.	.			trans	-145.9	142.7	175.2	61.4	0	0	0	0	110.3	V125 W155	V125-T128 HydrophobicContact CG1-CG2 3.64Å; T128-W155 HydrophobicContact CG2-CZ3 4.14Å
129	N	96.8	Very high	85.3	Confident	34 Å²	34	82.3 Å²	82.3	18%	0.182	44%	0.443	C	S	.	.			trans	-127.9	50.6	175.9	-162.4	19.3	0	0	0	112.6	N86 F127 G153 R154 W155	N86-N129 PolarHBondContact ND2-ND2 3.2Å; F127-N129 HydrophobicContact CE1-CB 4.03Å; F127-N129 HydrophobicContact CZ-CB 3.97Å; N129-G153 PolarHBondContact ND2-O 3.18Å; N129-R154 CarbonylContact O-C 3.59Å; N129-R154 VanDerWaalsContact O-CA 3.27Å; N129-R154 WeakPolarHBondContact O-CA 3.23Å; N129-R154 WeakPolarHBondContact O-CD 3.05Å; N129-W155 HydrophobicContact CB-CD2 4.35Å; N129-W155 HydrophobicContact CB-CG 4.4Å; N129-W155 HydrophobicContact CB-CZ2 4.38Å; N129-W155 PolarHBondContact O-N 2.93Å
130	W	95.4	Very high	84.8	Confident	61 Å²	61	85.6 Å²	85.6	23%	0.231	47%	0.465	C	S	.	.	B	Isolated β-bridge	trans	-57.8	144.9	-177	-59.7	113.4	0	0	0	113.7	M108 M117 P134 V146 R154 W155 N157	M108-W130 HydrophobicContact SD-CH2 4.07Å; M108-W130 HydrophobicContact SD-CZ2 4.18Å; M117-W130 HydrophobicContact CE-CH2 4.23Å; M117-W130 HydrophobicContact CG-CH2 4.41Å; M117-W130 HydrophobicContact CG-CZ2 4.3Å; W130-P134 HydrophobicContact CB-CB 4.3Å; W130-P134 HydrophobicContact CB-CG 4.5Å; W130-P134 HydrophobicContact CD2-CB 4.11Å; W130-P134 HydrophobicContact CE3-CB 3.91Å; W130-P134 HydrophobicContact CG-CB 4.29Å; W130-V146 HydrophobicContact CH2-CG1 3.92Å; W130-V146 HydrophobicContact CH2-CG2 3.78Å; W130-V146 HydrophobicContact CZ3-CG1 3.67Å; W130-V146 HydrophobicContact CZ3-CG2 4.14Å; W130-R154 PolarHBondContact O-NH1 2.89Å; W130-W155 HydrophobicContact CD2-CB 4.43Å; W130-W155 HydrophobicContact CE3-CB 3.75Å; W130-W155 HydrophobicContact CH2-CE3 4.45Å; W130-W155 HydrophobicContact CZ2-CE3 4.34Å; W130-W155 HydrophobicContact CZ3-CB 4.03Å; W130-N157 VanDerWaalsContact CZ3-OD1 3.29Å; W130-N157 WeakPolarHBondContact CZ3-OD1 3.47Å
131	G	90.6	Very high	84.4	Confident	23 Å²	23	87.7 Å²	87.7	24%	0.237	47%	0.468	C	S	.	.			trans	-73	-178.2	167.4	0	0	0	0	0	113.4	S133 W155	G131-S133 PolarHBondContact O-N 3.15Å; G131-S133 VanDerWaalsContact O-N 3.15Å; G131-W155 PolarHBondContact N-O 2.84Å
132	Y	75.1	Confident	84.2	Confident	240 Å²	240	86.6 Å²	86.6	94%	0.941	47%	0.469	S	S	*	.	S	Bend	trans	-65.8	-14.7	-173.8	-78.4	-81.6	0	0	0	115
133	S	66.6	Low	84.2	Confident	90 Å²	90	82.4 Å²	82.4	63%	0.629	45%	0.447	S	S	*	.			trans	-145.5	88.2	172.8	-172.4	0	0	0	0	110.7	G131 F135	G131-S133 PolarHBondContact O-N 3.15Å; G131-S133 VanDerWaalsContact O-N 3.15Å; S133-F135 PolarHBondContact O-N 2.92Å; S133-F135 PolarHBondContact OG-O 2.9Å
134	P	62.6	Low	84.3	Confident	33 Å²	33	76.9 Å²	76.9	21%	0.214	43%	0.427	C	S	.	.			trans	-70.4	-24.4	174.4	28.8	-32.5	0	0	0	111.1	W130 S136 N157	W130-P134 HydrophobicContact CB-CB 4.3Å; W130-P134 HydrophobicContact CB-CG 4.5Å; W130-P134 HydrophobicContact CD2-CB 4.11Å; W130-P134 HydrophobicContact CE3-CB 3.91Å; W130-P134 HydrophobicContact CG-CB 4.29Å; P134-S136 PolarHBondContact O-N 2.83Å; P134-N157 VanDerWaalsContact O-CB 3.26Å; P134-N157 WeakPolarHBondContact O-CB 3.37Å; P134-N157 PolarHBondContact O-ND2 3.25Å
135	F	64.7	Low	84.5	Confident	169 Å²	169	72.7 Å²	72.7	74%	0.741	40%	0.397	S	S	*	.			trans	-76.8	115.6	179.4	-64.1	-77.9	0	0	0	110.4	S133 P137	S133-F135 PolarHBondContact O-N 2.92Å; S133-F135 PolarHBondContact OG-O 2.9Å; F135-P137 WeakPolarHBondContact O-CD 3.33Å
136	S	69.6	Low	84.5	Confident	43 Å²	43	70.1 Å²	70.1	30%	0.301	38%	0.382	S	S	.	.			trans	-108.1	94.8	169.8	-160.4	0	0	0	0	107.3	P134 D138 I139	P134-S136 PolarHBondContact O-N 2.83Å; S136-D138 PolarHBondContact O-N 2.93Å; S136-D138 VanDerWaalsContact O-N 3.07Å; S136-I139 PolarHBondContact O-N 2.8Å
137	P	68.8	Low	84.6	Confident	118 Å²	118	65.2 Å²	65.2	77%	0.766	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-15.5	-172.5	27	-34.8	0	0	0	113.1	F135	F135-P137 WeakPolarHBondContact O-CD 3.33Å
138	D	81.2	Confident	84.6	Confident	147 Å²	147	63.2 Å²	63.2	79%	0.786	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-7.6	-177.9	-56.1	-41.3	0	0	0	113.1	S136	S136-D138 PolarHBondContact O-N 2.93Å; S136-D138 VanDerWaalsContact O-N 3.07Å
139	I	82.8	Confident	84.5	Confident	27 Å²	27	63.2 Å²	63.2	14%	0.138	34%	0.338	C	S	.	.	S	Bend	trans	-101.1	121.7	-178.6	-50.5	178.2	0	0	0	109.6	S136 Q141 D143 I144	S136-I139 PolarHBondContact O-N 2.8Å; I139-Q141 PolarHBondContact O-N 2.85Å; I139-D143 HydrophobicContact CG2-CB 4.34Å; I139-I144 HydrophobicContact CB-CG1 4.13Å; I139-I144 HydrophobicContact CG2-CB 4.48Å; I139-I144 HydrophobicContact CG2-CG1 3.68Å
140	P	87.3	Confident	84.3	Confident	73 Å²	73	61.9 Å²	61.9	47%	0.474	33%	0.332	S	S	.	.			trans	-56.2	136.3	172.2	-22.4	32.7	0	0	0	110.7	G142 D143 I144	P140-G142 VanDerWaalsContact C-N 3.25Å; P140-G142 PolarHBondContact O-N 2.03Å; P140-G142 VanDerWaalsContact O-N 3.11Å; P140-D143 HydrophobicContact CB-CB 4.4Å; P140-D143 WeakPolarHBondContact O-CA 3.33Å; P140-D143 PolarHBondContact O-N 2.91Å; P140-I144 PolarHBondContact O-N 2.84Å
141	Q	83.7	Confident	84.2	Confident	107 Å²	107	63.5 Å²	63.5	50%	0.5	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-51.1	-41.5	-175.6	-75.8	-179.8	-21.2	0	0	113.7	Y110 T112 I139 D143 I144	Y110-Q141 WeakPolarHBondContact CB-O 3.4Å; Y110-Q141 HydrophobicContact CD1-CB 3.9Å; Y110-Q141 WeakPolarHBondContact CD1-O 3.37Å; Y110-Q141 HydrophobicContact CE1-CB 3.78Å; Y110-Q141 HydrophobicContact CE1-CG 4.07Å; T112-Q141 HydrophobicContact CG2-CB 4.21Å; I139-Q141 PolarHBondContact O-N 2.85Å; Q141-D143 PolarHBondContact O-N 3.27Å; Q141-I144 PolarHBondContact O-N 3.33Å
142	G	85.6	Confident	84.4	Confident	29 Å²	29	65.2 Å²	65.2	30%	0.299	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-68.5	-12	178.8	0	0	0	0	0	115.6	K109 P140	K109-G142 WeakPolarHBondContact CE-O 3.49Å; K109-G142 PolarHBondContact NZ-O 2.99Å; K109-G142 VanDerWaalsContact NZ-O 3.11Å; P140-G142 VanDerWaalsContact C-N 3.25Å; P140-G142 PolarHBondContact O-N 2.03Å; P140-G142 VanDerWaalsContact O-N 3.11Å
143	D	91.3	Very high	85.4	Confident	51 Å²	51	53.8 Å²	53.8	27%	0.273	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-110.2	9.3	-178.3	-68.6	-9.5	0	0	0	112.1	I139 P140 Q141 C145 S159 C160 Q161	I139-D143 HydrophobicContact CG2-CB 4.34Å; P140-D143 HydrophobicContact CB-CB 4.4Å; P140-D143 WeakPolarHBondContact O-CA 3.33Å; P140-D143 PolarHBondContact O-N 2.91Å; Q141-D143 PolarHBondContact O-N 3.27Å; D143-C145 PolarHBondContact O-N 2.79Å; D143-S159 CarbonylContact O-C 3.59Å; D143-C160 VanDerWaalsContact C-SG 3.55Å; D143-C160 PolarHBondContact O-N 2.93Å; D143-C160 PolarHBondContact O-SG 3.24Å; D143-Q161 PolarHBondContact OD2-NE2 2.9Å
144	I	93.6	Very high	86.8	Confident	16 Å²	16	54.8 Å²	54.8	8%	0.082	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	113.9	177.8	-56.9	172.3	0	0	0	110.1	K109 Y110 M117 I139 P140 Q141 N157 C160	K109-I144 WeakPolarHBondContact CG-O 3.46Å; Y110-I144 PolarHBondContact N-O 2.83Å; M117-I144 HydrophobicContact CE-CG2 3.7Å; I139-I144 HydrophobicContact CB-CG1 4.13Å; I139-I144 HydrophobicContact CG2-CB 4.48Å; I139-I144 HydrophobicContact CG2-CG1 3.68Å; P140-I144 PolarHBondContact O-N 2.84Å; Q141-I144 PolarHBondContact O-N 3.33Å; I144-N157 HydrophobicContact CG2-CB 3.76Å; I144-C160 VanDerWaalsContact C-SG 3.54Å
145	C	95.4	Very high	88.4	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	171.3	165.2	-79.3	0	0	0	0	109.7	F65 W105 D143 N157 V158 C160	F65-C145 WeakPolarHBondContact CD1-SG 3.36Å; F65-C145 HydrophobicContact CD2-CB 4.18Å; F65-C145 VanDerWaalsContact CD2-SG 3.55Å; F65-C145 VanDerWaalsContact CE1-SG 3.52Å; F65-C145 HydrophobicContact CE2-CB 4.32Å; F65-C145 HydrophobicContact CG-CB 4.49Å; F65-C145 WeakPolarHBondContact CG-SG 3.22Å; W105-C145 HydrophobicContact CE3-CB 4.41Å; W105-C145 HydrophobicContact CZ3-CB 3.72Å; D143-C145 PolarHBondContact O-N 2.79Å; C145-N157 WeakPolarHBondContact O-CA 3.36Å; C145-V158 CarbonylContact C-O 3.21Å; C145-V158 HydrophobicContact CB-CG2 4.32Å; C145-V158 PolarHBondContact N-O 2.91Å; C145-V158 PolarHBondContact O-N 2.81Å; C145-V158 VanDerWaalsContact O-O 3.06Å; C145-C160 HydrophobicContact CB-CB 4.07Å; C145-C160 WeakPolarHBondContact CB-SG 3.29Å; C145-C160 PolarHBondContact N-SG 2.78Å; C145-C160 WeakPolarHBondContact SG-CB 3.31Å; C145-C160 CovalentContact SG-SG 2.02Å; C145-C160 PolarHBondContact SG-SG 2.79Å
146	V	95.9	Very high	89.8	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	135.8	-178.3	-171.5	0	0	0	0	110.5	L106 M108 M117 W130 W155 E156	L106-V146 HydrophobicContact CB-CB 4.26Å; L106-V146 HydrophobicContact CB-CG1 4.48Å; L106-V146 WeakPolarHBondContact CB-O 3.13Å; L106-V146 HydrophobicContact CD1-CB 4.47Å; L106-V146 HydrophobicContact CD1-CG1 3.82Å; L106-V146 HydrophobicContact CG-CG1 4.44Å; L106-V146 PolarHBondContact N-O 3.17Å; M108-V146 HydrophobicContact CB-CB 4.09Å; M108-V146 HydrophobicContact CB-CG2 3.94Å; M108-V146 HydrophobicContact CG-CB 4.38Å; M108-V146 HydrophobicContact CG-CG2 3.71Å; M108-V146 PolarHBondContact O-N 2.84Å; M108-V146 HydrophobicContact SD-CB 4.49Å; M108-V146 HydrophobicContact SD-CG2 3.85Å; M117-V146 HydrophobicContact CE-CG2 4.36Å; M117-V146 HydrophobicContact SD-CG2 4.21Å; W130-V146 HydrophobicContact CH2-CG1 3.92Å; W130-V146 HydrophobicContact CH2-CG2 3.78Å; W130-V146 HydrophobicContact CZ3-CG1 3.67Å; W130-V146 HydrophobicContact CZ3-CG2 4.14Å; V146-W155 HydrophobicContact CG1-CB 3.93Å; V146-E156 WeakPolarHBondContact CA-O 3.41Å
147	A	96.3	Very high	90.9	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	146.8	171.8	0	0	0	0	0	110.9	N103 I104 W155 E156 V158	N103-A147 HydrophobicContact CB-CB 4.32Å; I104-A147 CarbonylContact O-C 3.49Å; I104-A147 VanDerWaalsContact O-CA 3.23Å; I104-A147 WeakPolarHBondContact O-CA 3.29Å; A147-W155 CarbonylContact O-C 3.58Å; A147-W155 VanDerWaalsContact O-CA 3.3Å; A147-W155 WeakPolarHBondContact O-CA 3.39Å; A147-E156 HydrophobicContact CB-CG 4.44Å; A147-E156 PolarHBondContact N-O 3.44Å; A147-E156 PolarHBondContact O-N 3.26Å; A147-V158 HydrophobicContact CB-CG1 4.23Å; A147-V158 HydrophobicContact CB-CG2 3.95Å
148	L	97.2	Very high	92.1	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	128	169.9	177.3	153.4	0	0	0	109.1	I80 N86 M90 N103 I104 L106 S150	I80-L148 HydrophobicContact CD1-CD1 3.36Å; N86-L148 WeakPolarHBondContact OD1-CD1 3.42Å; M90-L148 HydrophobicContact CG-CD2 4.47Å; N103-L148 CarbonylContact C-O 3.54Å; N103-L148 VanDerWaalsContact CA-O 3.29Å; N103-L148 WeakPolarHBondContact CA-O 3.43Å; I104-L148 HydrophobicContact CB-CB 4.46Å; I104-L148 HydrophobicContact CD1-CD2 4.14Å; I104-L148 PolarHBondContact N-O 3.05Å; I104-L148 PolarHBondContact O-N 3.19Å; L106-L148 HydrophobicContact CD1-CB 4.43Å; L106-L148 HydrophobicContact CD2-CB 3.99Å; L106-L148 HydrophobicContact CG-CB 4.21Å; L148-S150 PolarHBondContact O-N 3.02Å
149	H	94.9	Very high	92.6	Very high	66 Å²	66	36.9 Å²	36.9	31%	0.306	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	108.8	171.3	-179.4	-99.1	0	0	0	110.3	N103 V151 S152 G153 R154	N103-H149 VanDerWaalsContact OD1-CA 3.31Å; N103-H149 WeakPolarHBondContact OD1-CA 3.23Å; N103-H149 PolarHBondContact OD1-CD2 3.36Å; H149-V151 PolarHBondContact O-N 2.9Å; H149-S152 WeakPolarHBondContact ND1-CB 3.32Å; H149-S152 PolarHBondContact ND1-N 3.28Å; H149-S152 VanDerWaalsContact ND1-N 3.17Å; H149-S152 PolarHBondContact ND1-OG 2.95Å; H149-S152 PolarHBondContact O-N 3.33Å; H149-G153 WeakPolarHBondContact O-CA 3.3Å; H149-G153 PolarHBondContact O-N 2.96Å; H149-R154 PolarHBondContact N-O 3.08Å
150	S	92.4	Very high	93.1	Very high	7 Å²	7	36.2 Å²	36.2	5%	0.049	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-28.2	-168.2	49.4	0	0	0	0	114.9	M90 V102 L148	M90-S150 WeakPolarHBondContact CG-O 3.38Å; V102-S150 PolarHBondContact N-OG 3.49Å; V102-S150 WeakPolarHBondContact O-CB 3.48Å; V102-S150 PolarHBondContact O-OG 3.24Å; L148-S150 PolarHBondContact O-N 3.02Å
151	V	92.5	Very high	93.1	Very high	95 Å²	95	37.2 Å²	37.2	58%	0.576	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-38.5	-178.5	-178.5	0	0	0	0	112.7	M90 S101 H149	M90-V151 WeakPolarHBondContact CE-O 3.45Å; S101-V151 VanDerWaalsContact CB-CG2 3.4Å; H149-V151 PolarHBondContact O-N 2.9Å
152	S	94.6	Very high	92.9	Very high	58 Å²	58	37.8 Å²	37.8	41%	0.406	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-16.5	-175.3	69.5	0	0	0	0	113.1	H149 R154	H149-S152 WeakPolarHBondContact ND1-CB 3.32Å; H149-S152 PolarHBondContact ND1-N 3.28Å; H149-S152 VanDerWaalsContact ND1-N 3.17Å; H149-S152 PolarHBondContact ND1-OG 2.95Å; H149-S152 PolarHBondContact O-N 3.33Å; S152-R154 PolarHBondContact O-N 2.74Å; S152-R154 PolarHBondContact OG-N 3.05Å
153	G	95.9	Very high	93.1	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.221	C	C	.	.			trans	72.9	-0.4	-173.2	0	0	0	0	0	114.4	N86 M90 N129 H149	N86-G153 PolarHBondContact ND2-O 2.86Å; N86-G153 PolarHBondContact OD1-O 3.24Å; M90-G153 VanDerWaalsContact CE-N 3.32Å; M90-G153 WeakPolarHBondContact SD-CA 3.39Å; N129-G153 PolarHBondContact ND2-O 3.18Å; H149-G153 WeakPolarHBondContact O-CA 3.3Å; H149-G153 PolarHBondContact O-N 2.96Å
154	R	96.5	Very high	93.1	Very high	112 Å²	112	41.5 Å²	41.5	42%	0.423	22%	0.218	S	C	.	.			trans	-81	144.2	-174.7	-63.6	-60.7	-177.3	148.8	-8.4	111.3	N129 W130 H149 S152	N129-R154 CarbonylContact O-C 3.59Å; N129-R154 VanDerWaalsContact O-CA 3.27Å; N129-R154 WeakPolarHBondContact O-CA 3.23Å; N129-R154 WeakPolarHBondContact O-CD 3.05Å; W130-R154 PolarHBondContact O-NH1 2.89Å; H149-R154 PolarHBondContact N-O 3.08Å; S152-R154 PolarHBondContact O-N 2.74Å; S152-R154 PolarHBondContact OG-N 3.05Å
155	W	96.6	Very high	93.2	Very high	1 Å²	1	46.1 Å²	46.1	0%	0.004	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	143.3	178.4	-52.7	-4	0	0	0	110	I80 N86 L106 M108 W119 F127 T128 N129 W130 G131 V146 A147	I80-W155 HydrophobicContact CB-CH2 4.16Å; I80-W155 HydrophobicContact CB-CZ2 3.66Å; I80-W155 HydrophobicContact CD1-CZ2 4.09Å; I80-W155 HydrophobicContact CG1-CZ2 4.39Å; I80-W155 HydrophobicContact CG2-CZ2 3.81Å; N86-W155 PolarHBondContact OD1-NE1 3.42Å; L106-W155 HydrophobicContact CD1-CD2 3.61Å; L106-W155 HydrophobicContact CD1-CE3 3.98Å; L106-W155 HydrophobicContact CD1-CG 3.85Å; L106-W155 HydrophobicContact CD1-CZ2 4.32Å; L106-W155 HydrophobicContact CD1-CZ3 4.43Å; M108-W155 HydrophobicContact CE-CZ3 4.17Å; M108-W155 HydrophobicContact SD-CZ3 4.49Å; W119-W155 AromaticContact CH2-CH2 3.9Å; W119-W155 HydrophobicContact CH2-CH2 3.9Å; W119-W155 HydrophobicContact CH2-CZ3 4.13Å; W119-W155 AromaticContact CZ2-CH2 3.76Å; W119-W155 HydrophobicContact CZ2-CH2 3.76Å; W119-W155 HydrophobicContact CZ2-CZ3 4.06Å; F127-W155 AromaticContact CD1-CH2 3.9Å; F127-W155 HydrophobicContact CD1-CH2 3.9Å; F127-W155 AromaticContact CD1-CZ2 3.76Å; F127-W155 HydrophobicContact CD1-CZ2 3.76Å; F127-W155 HydrophobicContact CE1-CH2 4.3Å; F127-W155 AromaticContact CE1-CZ2 3.72Å; F127-W155 HydrophobicContact CE1-CZ2 3.72Å; F127-W155 VanDerWaalsContact O-CH2 3.3Å; F127-W155 WeakPolarHBondContact O-CH2 3.39Å; T128-W155 HydrophobicContact CG2-CZ3 4.14Å; N129-W155 HydrophobicContact CB-CD2 4.35Å; N129-W155 HydrophobicContact CB-CG 4.4Å; N129-W155 HydrophobicContact CB-CZ2 4.38Å; N129-W155 PolarHBondContact O-N 2.93Å; W130-W155 HydrophobicContact CD2-CB 4.43Å; W130-W155 HydrophobicContact CE3-CB 3.75Å; W130-W155 HydrophobicContact CH2-CE3 4.45Å; W130-W155 HydrophobicContact CZ2-CE3 4.34Å; W130-W155 HydrophobicContact CZ3-CB 4.03Å; G131-W155 PolarHBondContact N-O 2.84Å; V146-W155 HydrophobicContact CG1-CB 3.93Å; A147-W155 CarbonylContact O-C 3.58Å; A147-W155 VanDerWaalsContact O-CA 3.3Å; A147-W155 WeakPolarHBondContact O-CA 3.39Å
156	E	93.4	Very high	93.2	Very high	73 Å²	73	46.6 Å²	46.6	34%	0.341	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	148	177.8	58.1	-179.1	167.1	0	0	111	N103 V146 A147 V158	N103-E156 PolarHBondContact ND2-OE1 2.75Å; V146-E156 WeakPolarHBondContact CA-O 3.41Å; A147-E156 HydrophobicContact CB-CG 4.44Å; A147-E156 PolarHBondContact N-O 3.44Å; A147-E156 PolarHBondContact O-N 3.26Å; E156-V158 HydrophobicContact CG-CG1 4.01Å
157	N	93.5	Very high	93.2	Very high	21 Å²	21	46.6 Å²	46.6	11%	0.112	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	128	172.9	-76.2	-9.4	0	0	0	109	M117 W130 P134 I144 C145	M117-N157 WeakPolarHBondContact CE-OD1 3.29Å; W130-N157 VanDerWaalsContact CZ3-OD1 3.29Å; W130-N157 WeakPolarHBondContact CZ3-OD1 3.47Å; P134-N157 VanDerWaalsContact O-CB 3.26Å; P134-N157 WeakPolarHBondContact O-CB 3.37Å; P134-N157 PolarHBondContact O-ND2 3.25Å; I144-N157 HydrophobicContact CG2-CB 3.76Å; C145-N157 WeakPolarHBondContact O-CA 3.36Å
158	V	92.8	Very high	93.2	Very high	19 Å²	19	46.6 Å²	46.6	12%	0.115	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	158.7	-178.7	-65.8	0	0	0	0	109.6	W105 C145 A147 E156 V164	W105-V158 HydrophobicContact CE3-CG2 4.24Å; W105-V158 HydrophobicContact CH2-CG2 3.78Å; W105-V158 HydrophobicContact CZ3-CG2 3.28Å; C145-V158 CarbonylContact C-O 3.21Å; C145-V158 HydrophobicContact CB-CG2 4.32Å; C145-V158 PolarHBondContact N-O 2.91Å; C145-V158 PolarHBondContact O-N 2.81Å; C145-V158 VanDerWaalsContact O-O 3.06Å; A147-V158 HydrophobicContact CB-CG1 4.23Å; A147-V158 HydrophobicContact CB-CG2 3.95Å; E156-V158 HydrophobicContact CG-CG1 4.01Å; V158-V164 HydrophobicContact CB-CG1 4.41Å
159	S	92.9	Very high	93.2	Very high	19 Å²	19	46.6 Å²	46.6	13%	0.133	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	135.6	176.9	-175.5	0	0	0	0	109.7	D143 Q161	D143-S159 CarbonylContact O-C 3.59Å; S159-Q161 PolarHBondContact O-N 2.77Å; S159-Q161 VanDerWaalsContact OG-CB 3.26Å; S159-Q161 WeakPolarHBondContact OG-CB 3.47Å; S159-Q161 VanDerWaalsContact OG-CG 3.26Å; S159-Q161 WeakPolarHBondContact OG-CG 3.43Å; S159-Q161 PolarHBondContact OG-N 2.85Å; S159-Q161 VanDerWaalsContact OG-N 3.17Å
160	C	92.8	Very high	93.4	Very high	13 Å²	13	43.5 Å²	43.5	9%	0.088	23%	0.228	C	C	.	.			trans	-72.5	-7	168.6	-55.3	0	0	0	0	112.7	F65 D143 I144 C145	F65-C160 HydrophobicContact CD1-CB 4.41Å; D143-C160 VanDerWaalsContact C-SG 3.55Å; D143-C160 PolarHBondContact O-N 2.93Å; D143-C160 PolarHBondContact O-SG 3.24Å; I144-C160 VanDerWaalsContact C-SG 3.54Å; C145-C160 HydrophobicContact CB-CB 4.07Å; C145-C160 WeakPolarHBondContact CB-SG 3.29Å; C145-C160 PolarHBondContact N-SG 2.78Å; C145-C160 WeakPolarHBondContact SG-CB 3.31Å; C145-C160 CovalentContact SG-SG 2.02Å; C145-C160 PolarHBondContact SG-SG 2.79Å
161	Q	87.9	Confident	93.6	Very high	95 Å²	95	43.8 Å²	43.8	44%	0.444	23%	0.228	S	C	.	.	S	Bend	trans	-69.3	161.5	-174.9	-63.1	-178.5	5.3	0	0	112.3	D143 S159 D163 V164	D143-Q161 PolarHBondContact OD2-NE2 2.9Å; S159-Q161 PolarHBondContact O-N 2.77Å; S159-Q161 VanDerWaalsContact OG-CB 3.26Å; S159-Q161 WeakPolarHBondContact OG-CB 3.47Å; S159-Q161 VanDerWaalsContact OG-CG 3.26Å; S159-Q161 WeakPolarHBondContact OG-CG 3.43Å; S159-Q161 PolarHBondContact OG-N 2.85Å; S159-Q161 VanDerWaalsContact OG-N 3.17Å; Q161-D163 WeakPolarHBondContact CB-OD1 3.49Å; Q161-D163 PolarHBondContact O-N 3.3Å; Q161-V164 PolarHBondContact O-N 2.86Å
162	D	79.6	Confident	93.8	Very high	119 Å²	119	40.5 Å²	40.5	64%	0.636	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.4	1.4	-167.5	-67.3	-43.7	0	0	0	115.2	T64	T64-D162 HydrophobicContact CG2-CB 4.09Å; T64-D162 WeakPolarHBondContact CG2-O 3.33Å; T64-D162 PolarHBondContact OG1-OD1 2.69Å
163	D	88.3	Confident	93.8	Very high	123 Å²	123	41.7 Å²	41.7	66%	0.658	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-13.6	175.1	65.5	-46.5	0	0	0	113.4	Q161	Q161-D163 WeakPolarHBondContact CB-OD1 3.49Å; Q161-D163 PolarHBondContact O-N 3.3Å
164	V	92	Very high	93.7	Very high	34 Å²	34	43 Å²	43	21%	0.206	22%	0.221	C	C	.	.			trans	-102.6	125.5	177.3	-177.5	0	0	0	0	109.7	W105 V158 Q161	W105-V164 HydrophobicContact CH2-CB 4.29Å; W105-V164 HydrophobicContact CH2-CG1 3.77Å; W105-V164 HydrophobicContact CZ2-CB 4.43Å; W105-V164 HydrophobicContact CZ2-CG1 3.97Å; W105-V164 WeakPolarHBondContact CZ2-O 3.39Å; V158-V164 HydrophobicContact CB-CG1 4.41Å; Q161-V164 PolarHBondContact O-N 2.86Å
165	E	94.9	Very high	93.1	Very high	113 Å²	113	44.1 Å²	44.1	53%	0.528	23%	0.229	S	C	.	.			trans	-124.7	132.3	177.1	-59.9	-171.2	143.7	0	0	111.4	Y63 T64	Y63-E165 VanDerWaalsContact O-CA 3.26Å; Y63-E165 WeakPolarHBondContact O-CA 3.24Å; T64-E165 HydrophobicContact CG2-CG 4.14Å
166	N	95.9	Very high	91.9	Very high	10 Å²	10	48.4 Å²	48.4	5%	0.053	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-134.3	164.1	177.5	-60.5	-65.6	0	0	0	110.7	S62 Y63 N103 W105	S62-N166 WeakPolarHBondContact CA-O 3.34Å; Y63-N166 PolarHBondContact N-O 2.72Å; Y63-N166 PolarHBondContact O-N 3.25Å; N103-N166 HydrophobicContact CB-CB 4.35Å; N103-N166 WeakPolarHBondContact CB-OD1 3.31Å; N103-N166 WeakPolarHBondContact O-CB 3.22Å; W105-N166 HydrophobicContact CD2-CB 3.8Å; W105-N166 HydrophobicContact CG-CB 3.83Å; W105-N166 WeakPolarHBondContact CH2-ND2 3.46Å; W105-N166 HydrophobicContact CZ2-CB 4.23Å; W105-N166 WeakPolarHBondContact CZ2-ND2 3.4Å; W105-N166 WeakPolarHBondContact CZ3-ND2 3.36Å
167	G	95.9	Very high	90.6	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-63.7	155.2	173.8	0	0	0	0	0	112.1	N103 I104 W105	N103-G167 PolarHBondContact O-N 2.83Å; I104-G167 WeakPolarHBondContact CA-O 3.09Å; W105-G167 PolarHBondContact N-O 2.79Å
168	V	96.8	Very high	88.9	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	30%	0.295	C	S	.	.			trans	-120.4	129	-172.3	-178	0	0	0	0	110.2	V53 Y63 A68 H71 L77	V53-V168 HydrophobicContact CB-CB 3.99Å; V53-V168 HydrophobicContact CB-CG1 4.44Å; V53-V168 HydrophobicContact CG2-CB 3.88Å; V53-V168 HydrophobicContact CG2-CG1 3.77Å; V53-V168 PolarHBondContact N-O 3.2Å; Y63-V168 HydrophobicContact CD2-CB 4.49Å; Y63-V168 HydrophobicContact CD2-CG2 3.59Å; Y63-V168 HydrophobicContact CE2-CG2 4.48Å; Y63-V168 HydrophobicContact CG-CG2 4.14Å; A68-V168 HydrophobicContact CB-CB 4.42Å; A68-V168 HydrophobicContact CB-CG1 4.12Å; A68-V168 HydrophobicContact CB-CG2 3.45Å; A68-V168 VanDerWaalsContact CB-CG2 3.45Å; H71-V168 HydrophobicContact CB-CG1 4.33Å; L77-V168 HydrophobicContact CD1-CG1 3.91Å
169	V	97.6	Very high	87.2	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	121.5	170.9	179.9	0	0	0	0	107.9	Y50 H51 F52 L78 W97 I104	Y50-V169 HydrophobicContact CD1-CG1 4.31Å; H51-V169 CarbonylContact O-C 3.59Å; H51-V169 WeakPolarHBondContact O-CA 3.35Å; F52-V169 HydrophobicContact CB-CG2 4.48Å; F52-V169 HydrophobicContact CD1-CG2 3.41Å; F52-V169 VanDerWaalsContact CD1-CG2 3.41Å; F52-V169 HydrophobicContact CD2-CG1 4.33Å; F52-V169 HydrophobicContact CE1-CG1 4.47Å; F52-V169 HydrophobicContact CE1-CG2 3.62Å; F52-V169 HydrophobicContact CE2-CG1 4.24Å; F52-V169 HydrophobicContact CG-CG1 4.47Å; F52-V169 HydrophobicContact CG-CG2 3.9Å; F52-V169 HydrophobicContact CZ-CG1 4.3Å; F52-V169 HydrophobicContact CZ-CG2 4.26Å; L78-V169 HydrophobicContact CB-CB 3.98Å; L78-V169 HydrophobicContact CB-CG1 4.3Å; L78-V169 WeakPolarHBondContact CB-O 3.4Å; L78-V169 HydrophobicContact CD1-CG1 4.18Å; L78-V169 HydrophobicContact CD2-CB 4.12Å; L78-V169 HydrophobicContact CD2-CG1 4.46Å; L78-V169 HydrophobicContact CD2-CG2 4.48Å; L78-V169 HydrophobicContact CG-CB 4.46Å; L78-V169 PolarHBondContact N-O 3.29Å; W97-V169 HydrophobicContact CH2-CG2 3.82Å; W97-V169 HydrophobicContact CZ2-CG2 4.39Å; I104-V169 HydrophobicContact CG2-CB 4.3Å; I104-V169 HydrophobicContact CG2-CG2 3.73Å
170	C	97.7	Very high	85.4	Confident	1 Å²	1	67.7 Å²	67.7	1%	0.007	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	145	173.8	-53.8	0	0	0	0	110.1	W42 Y50 H51 C72 G76	W42-C170 HydrophobicContact CH2-CB 4.4Å; Y50-C170 CarbonylContact C-O 3.45Å; Y50-C170 VanDerWaalsContact CA-O 3.27Å; Y50-C170 WeakPolarHBondContact CA-O 3.39Å; H51-C170 HydrophobicContact CB-CB 4.45Å; H51-C170 PolarHBondContact N-O 3Å; H51-C170 PolarHBondContact O-N 2.8Å; C72-C170 WeakPolarHBondContact CA-SG 3.42Å; C72-C170 HydrophobicContact CB-CB 3.77Å; C72-C170 WeakPolarHBondContact CB-SG 3.17Å; C72-C170 WeakPolarHBondContact SG-CA 3.48Å; C72-C170 WeakPolarHBondContact SG-CB 3.26Å; C72-C170 CovalentContact SG-SG 2.04Å; C72-C170 PolarHBondContact SG-SG 2.63Å; G76-C170 CarbonylContact O-C 3.53Å; G76-C170 VanDerWaalsContact O-CA 3.23Å; G76-C170 WeakPolarHBondContact O-CA 3.41Å
171	E	97.4	Very high	83.7	Confident	13 Å²	13	73 Å²	73	6%	0.061	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	153.1	178.7	64.3	167.2	-141	0	0	112.3	C49 Y50 F75 G76 T79 N121	C49-E171 CarbonylContact O-C 3.55Å; C49-E171 VanDerWaalsContact O-CA 3.29Å; C49-E171 WeakPolarHBondContact O-CA 3.49Å; Y50-E171 HydrophobicContact CD1-CB 4.06Å; Y50-E171 HydrophobicContact CE1-CB 4.16Å; F75-E171 WeakPolarHBondContact CB-O 3.48Å; G76-E171 PolarHBondContact N-O 3.43Å; G76-E171 PolarHBondContact O-N 2.88Å; T79-E171 PolarHBondContact N-OE2 3.46Å; T79-E171 PolarHBondContact OG1-OE1 2.93Å; T79-E171 PolarHBondContact OG1-OE2 3.49Å; N121-E171 PolarHBondContact ND2-OE1 3.22Å
172	T	96.3	Very high	82.3	Confident	26 Å²	26	77.3 Å²	77.3	16%	0.16	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	150.7	169.9	-169	0	0	0	0	111	P36 W42 R48 C49 F75	P36-T172 HydrophobicContact CG-CG2 3.79Å; W42-T172 HydrophobicContact CE3-CG2 4.08Å; W42-T172 HydrophobicContact CH2-CG2 3.87Å; W42-T172 HydrophobicContact CZ2-CG2 4.44Å; W42-T172 HydrophobicContact CZ3-CG2 3.67Å; R48-T172 CarbonylContact C-O 3.48Å; R48-T172 WeakPolarHBondContact CA-O 3.39Å; C49-T172 HydrophobicContact CB-CG2 3.9Å; C49-T172 PolarHBondContact N-O 3.15Å; C49-T172 PolarHBondContact O-N 3.39Å; F75-T172 HydrophobicContact CD1-CG2 4.15Å; F75-T172 HydrophobicContact CE1-CG2 4.47Å
173	P	94.8	Very high	81.2	Confident	84 Å²	84	76.9 Å²	76.9	55%	0.545	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	143.7	172.8	-21.2	33.1	0	0	0	111.7
174	Q	93.3	Very high	80	Confident	27 Å²	27	73.7 Å²	73.7	13%	0.126	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-61.8	140	167.7	-78.1	171.9	33.1	0	0	109.9	G33 G46 D47 R48 C49 A176	G33-Q174 PolarHBondContact O-OE1 3.29Å; G33-Q174 VanDerWaalsContact O-OE1 3.05Å; G46-Q174 PolarHBondContact O-NE2 3.3Å; D47-Q174 WeakPolarHBondContact O-CB 3.46Å; D47-Q174 PolarHBondContact O-N 3.09Å; R48-Q174 PolarHBondContact O-NE2 3.23Å; C49-Q174 WeakPolarHBondContact SG-CG 3.41Å; Q174-A176 PolarHBondContact O-N 3.39Å
175	K	84.8	Confident	78.9	Confident	136 Å²	136	76 Å²	76	59%	0.591	42%	0.417	S	S	*	.	B	Isolated β-bridge	trans	-71.1	122.1	174.6	-70.3	179.3	-177.3	173.5	0	108	G33 D34 E177	G33-K175 CarbonylContact C-O 3.54Å; G33-K175 WeakPolarHBondContact CA-O 3.08Å; D34-K175 PolarHBondContact N-O 3.18Å; D34-K175 VanDerWaalsContact N-O 3.13Å; D34-K175 PolarHBondContact O-N 2.96Å; K175-E177 PolarHBondContact O-N 2.63Å; K175-E177 VanDerWaalsContact O-N 3.08Å
176	A	72	Confident	77.7	Confident	91 Å²	91	74.9 Å²	74.9	75%	0.752	42%	0.418	S	S	*	.	P	Polyproline II helix	trans	-51.1	121.8	171.7	0	0	0	0	0	108.8	Q174 K178	Q174-A176 PolarHBondContact O-N 3.39Å; A176-K178 PolarHBondContact O-N 2.5Å
177	E	65.1	Low	76.7	Confident	62 Å²	62	78.1 Å²	78.1	29%	0.29	44%	0.438	S	S	.	.			trans	-58.9	113.4	177.1	-169.1	178.5	-169.8	0	0	107.3	S31 K175 R180	S31-E177 PolarHBondContact OG-OE2 2.9Å; K175-E177 PolarHBondContact O-N 2.63Å; K175-E177 VanDerWaalsContact O-N 3.08Å; E177-R180 IonicContact OE1-CZ 3.78Å; E177-R180 IonicContact OE1-NE 2.69Å; E177-R180 PolarHBondContact OE1-NE 2.67Å; E177-R180 IonicContact OE1-NH2 2.74Å; E177-R180 PolarHBondContact OE1-NH2 2.91Å
178	K	58.3	Low	75.8	Confident	184 Å²	184	81.3 Å²	81.3	80%	0.8	46%	0.46	S	S	*	.			trans	-55.3	135.9	167.7	-73.6	-175.4	-179.9	-179.7	0	106	A176 R180	A176-K178 PolarHBondContact O-N 2.5Å; K178-R180 PolarHBondContact O-N 2.82Å
179	P	57.3	Low	75	Confident	126 Å²	126	83.3 Å²	83.3	82%	0.818	48%	0.477	S	S	*	.			trans	-50.2	105.7	179	-24	30.8	0	0	0	108.4
180	R	55.3	Low	74.2	Confident	165 Å²	165	88.7 Å²	88.7	62%	0.623	51%	0.505	S	S	*	.			trans	-57.8	129.7	172.7	-70.7	-169.3	-132.8	-138.6	-7.8	104.3	E177 K178 K182	E177-R180 IonicContact OE1-CZ 3.78Å; E177-R180 IonicContact OE1-NE 2.69Å; E177-R180 PolarHBondContact OE1-NE 2.67Å; E177-R180 IonicContact OE1-NH2 2.74Å; E177-R180 PolarHBondContact OE1-NH2 2.91Å; K178-R180 PolarHBondContact O-N 2.82Å; R180-K182 PolarHBondContact O-N 3.19Å
181	P	57.7	Low	73.4	Confident	124 Å²	124	92.6 Å²	92.6	81%	0.805	53%	0.528	S	S	*	.			trans	-52.9	115.2	170.9	20.7	-29	0	0	0	105.4
182	K	57.4	Low	72.8	Confident	186 Å²	186	96.7 Å²	96.7	81%	0.809	55%	0.55	S	S	*	.			trans	-46.6	133.7	175.6	-67.8	178.9	179.9	177.9	0	105.6	R180 S184	R180-K182 PolarHBondContact O-N 3.19Å; K182-S184 WeakPolarHBondContact O-CA 3.37Å; K182-S184 PolarHBondContact O-N 3.06Å
183	P	57.5	Low	72.4	Confident	109 Å²	109	101 Å²	101	71%	0.708	57%	0.571	S	S	*	*			trans	-49	112.8	174.1	19.8	-30.2	0	0	0	105.5	A185	P183-A185 PolarHBondContact O-N 2.98Å
184	S	63.2	Low	72.2	Confident	56 Å²	56	99.6 Å²	99.6	39%	0.392	56%	0.564	S	S	.	*			trans	-60.7	142.9	-167.2	79.6	0	0	0	0	105.8	K182 T186 V187	K182-S184 WeakPolarHBondContact O-CA 3.37Å; K182-S184 PolarHBondContact O-N 3.06Å; S184-T186 CarbonylContact O-C 3.49Å; S184-T186 PolarHBondContact O-N 2.7Å; S184-T186 PolarHBondContact OG-OG1 3.27Å; S184-V187 PolarHBondContact O-N 3.28Å
185	A	68.4	Low	72.1	Confident	84 Å²	84	102.2 Å²	102.2	69%	0.694	58%	0.581	S	S	*	*	H	α-helix	trans	-49.7	-23.2	-178.7	0	0	0	0	0	112	P183 A189	P183-A185 PolarHBondContact O-N 2.98Å; A185-A189 WeakPolarHBondContact O-CB 3.04Å; A185-A189 PolarHBondContact O-N 2.66Å
186	T	69.2	Low	72.5	Confident	88 Å²	88	100.3 Å²	100.3	54%	0.54	58%	0.581	S	S	.	*	H	α-helix	trans	-62.1	-43.6	171.5	77.3	0	0	0	0	114	S184 A189 L190	S184-T186 CarbonylContact O-C 3.49Å; S184-T186 PolarHBondContact O-N 2.7Å; S184-T186 PolarHBondContact OG-OG1 3.27Å; T186-A189 PolarHBondContact O-N 3.37Å; T186-L190 WeakPolarHBondContact O-CB 3.49Å; T186-L190 WeakPolarHBondContact O-CG 3.06Å; T186-L190 PolarHBondContact O-N 2.79Å
187	V	73.8	Confident	73.5	Confident	79 Å²	79	98.7 Å²	98.7	48%	0.479	57%	0.567	S	S	.	*	H	α-helix	trans	-67.7	-43.2	-179.9	-178.8	0	0	0	0	110.4	S184 L190 V191	S184-V187 PolarHBondContact O-N 3.28Å; V187-L190 PolarHBondContact O-N 2.85Å; V187-V191 WeakPolarHBondContact O-CG2 3.19Å; V187-V191 PolarHBondContact O-N 3.29Å
188	S	78.2	Confident	74.9	Confident	67 Å²	67	101.2 Å²	101.2	47%	0.469	58%	0.582	S	S	.	*	H	α-helix	trans	-64	-42.1	175	-176.4	0	0	0	0	111.6	V191 I192	S188-V191 PolarHBondContact O-N 3.47Å; S188-I192 WeakPolarHBondContact O-CD1 3.41Å; S188-I192 VanDerWaalsContact O-CG1 3.26Å; S188-I192 WeakPolarHBondContact O-CG1 3.46Å; S188-I192 PolarHBondContact O-N 2.91Å
189	A	79.8	Confident	76.5	Confident	42 Å²	42	96.7 Å²	96.7	35%	0.347	57%	0.569	S	S	.	*	H	α-helix	trans	-64.4	-39.5	175.3	0	0	0	0	0	112.6	A185 T186 I192 L193	A185-A189 WeakPolarHBondContact O-CB 3.04Å; A185-A189 PolarHBondContact O-N 2.66Å; T186-A189 PolarHBondContact O-N 3.37Å; A189-I192 PolarHBondContact O-N 2.88Å; A189-L193 WeakPolarHBondContact O-CB 3.43Å; A189-L193 VanDerWaalsContact O-CG 3.22Å; A189-L193 WeakPolarHBondContact O-CG 3.47Å; A189-L193 PolarHBondContact O-N 2.92Å
190	L	81.1	Confident	78.2	Confident	112 Å²	112	92.4 Å²	92.4	59%	0.586	55%	0.548	S	S	*	.	H	α-helix	trans	-64.4	-40.2	177.4	-75.4	169.1	0	0	0	111.9	T186 V187 L193 S194	T186-L190 WeakPolarHBondContact O-CB 3.49Å; T186-L190 WeakPolarHBondContact O-CG 3.06Å; T186-L190 PolarHBondContact O-N 2.79Å; V187-L190 PolarHBondContact O-N 2.85Å; L190-L193 PolarHBondContact O-N 2.77Å; L190-S194 WeakPolarHBondContact O-CB 3.43Å; L190-S194 PolarHBondContact O-N 3.39Å; L190-S194 PolarHBondContact O-OG 3.29Å
191	V	81.3	Confident	80.1	Confident	83 Å²	83	88.7 Å²	88.7	50%	0.503	54%	0.543	S	S	.	.	H	α-helix	trans	-65.6	-41.7	174.6	174.6	0	0	0	0	110.9	V187 S188 S194 V195	V187-V191 WeakPolarHBondContact O-CG2 3.19Å; V187-V191 PolarHBondContact O-N 3.29Å; S188-V191 PolarHBondContact O-N 3.47Å; V191-S194 PolarHBondContact O-N 3.07Å; V191-S194 PolarHBondContact O-OG 3.32Å; V191-V195 VanDerWaalsContact O-CG2 3.25Å; V191-V195 WeakPolarHBondContact O-CG2 3.48Å; V191-V195 PolarHBondContact O-N 3.01Å; V191-V195 VanDerWaalsContact O-N 3.1Å
192	I	84.9	Confident	81.8	Confident	100 Å²	100	85.9 Å²	85.9	51%	0.513	53%	0.526	S	S	.	.	H	α-helix	trans	-66.2	-44.6	177.4	-65.9	163.7	0	0	0	110.7	S188 A189 S194 V195 V196	S188-I192 WeakPolarHBondContact O-CD1 3.41Å; S188-I192 VanDerWaalsContact O-CG1 3.26Å; S188-I192 WeakPolarHBondContact O-CG1 3.46Å; S188-I192 PolarHBondContact O-N 2.91Å; A189-I192 PolarHBondContact O-N 2.88Å; I192-S194 VanDerWaalsContact C-N 3.35Å; I192-S194 PolarHBondContact O-N 2.04Å; I192-V195 PolarHBondContact O-N 3.29Å; I192-V196 HydrophobicContact CG2-CG2 4.39Å; I192-V196 VanDerWaalsContact O-CG2 3.3Å; I192-V196 WeakPolarHBondContact O-CG2 3.07Å; I192-V196 PolarHBondContact O-N 3.3Å
193	L	88.3	Confident	83.5	Confident	115 Å²	115	79.6 Å²	79.6	60%	0.602	51%	0.509	S	S	*	.	H	α-helix	trans	-62.8	-40.3	178.5	-74.2	172.4	0	0	0	111.9	A189 L190 V196 A197	A189-L193 WeakPolarHBondContact O-CB 3.43Å; A189-L193 VanDerWaalsContact O-CG 3.22Å; A189-L193 WeakPolarHBondContact O-CG 3.47Å; A189-L193 PolarHBondContact O-N 2.92Å; L190-L193 PolarHBondContact O-N 2.77Å; L193-V196 PolarHBondContact O-N 2.97Å; L193-A197 VanDerWaalsContact O-CB 3.31Å; L193-A197 WeakPolarHBondContact O-CB 3.35Å; L193-A197 PolarHBondContact O-N 2.83Å
194	S	89.1	Confident	85.2	Confident	56 Å²	56	78.4 Å²	78.4	39%	0.392	50%	0.5	S	S	.	.	H	α-helix	trans	-66.4	-42.4	177.8	68.6	0	0	0	0	111.6	L190 V191 I192 A197 I198	L190-S194 WeakPolarHBondContact O-CB 3.43Å; L190-S194 PolarHBondContact O-N 3.39Å; L190-S194 PolarHBondContact O-OG 3.29Å; V191-S194 PolarHBondContact O-N 3.07Å; V191-S194 PolarHBondContact O-OG 3.32Å; I192-S194 VanDerWaalsContact C-N 3.35Å; I192-S194 PolarHBondContact O-N 2.04Å; S194-A197 PolarHBondContact O-N 3.43Å; S194-I198 WeakPolarHBondContact O-CD1 3.45Å; S194-I198 WeakPolarHBondContact O-CG1 3.39Å; S194-I198 PolarHBondContact O-N 3.31Å
195	V	91.1	Very high	86.6	Confident	82 Å²	82	80.6 Å²	80.6	50%	0.497	51%	0.506	S	S	.	.	H	α-helix	trans	-63.1	-45.5	176.3	173.7	0	0	0	0	111.2	V191 I192 A197 I198 V199	V191-V195 VanDerWaalsContact O-CG2 3.25Å; V191-V195 WeakPolarHBondContact O-CG2 3.48Å; V191-V195 PolarHBondContact O-N 3.01Å; V191-V195 VanDerWaalsContact O-N 3.1Å; I192-V195 PolarHBondContact O-N 3.29Å; V195-A197 VanDerWaalsContact C-N 3.34Å; V195-A197 PolarHBondContact O-N 2.86Å; V195-I198 PolarHBondContact O-N 2.84Å; V195-V199 HydrophobicContact CG1-CG2 4.49Å; V195-V199 VanDerWaalsContact O-CG2 3.31Å; V195-V199 WeakPolarHBondContact O-CG2 2.99Å; V195-V199 PolarHBondContact O-N 3.21Å
196	V	93.3	Very high	87.6	Confident	96 Å²	96	84.8 Å²	84.8	58%	0.582	50%	0.504	S	S	*	.	H	α-helix	trans	-63.2	-41.1	177.9	172.5	0	0	0	0	111.3	I192 L193 V199 G200	I192-V196 HydrophobicContact CG2-CG2 4.39Å; I192-V196 VanDerWaalsContact O-CG2 3.3Å; I192-V196 WeakPolarHBondContact O-CG2 3.07Å; I192-V196 PolarHBondContact O-N 3.3Å; L193-V196 PolarHBondContact O-N 2.97Å; V196-V199 PolarHBondContact O-N 2.88Å; V196-G200 PolarHBondContact O-N 3.21Å
197	A	92.8	Very high	88.6	Confident	56 Å²	56	86.7 Å²	86.7	46%	0.463	51%	0.505	S	S	.	.	H	α-helix	trans	-63	-44.7	176.5	0	0	0	0	0	111.8	L193 S194 V195 V199 G200 V201	L193-A197 VanDerWaalsContact O-CB 3.31Å; L193-A197 WeakPolarHBondContact O-CB 3.35Å; L193-A197 PolarHBondContact O-N 2.83Å; S194-A197 PolarHBondContact O-N 3.43Å; V195-A197 VanDerWaalsContact C-N 3.34Å; V195-A197 PolarHBondContact O-N 2.86Å; A197-V199 PolarHBondContact O-N 3.46Å; A197-G200 PolarHBondContact O-N 3.11Å; A197-V201 WeakPolarHBondContact O-CB 3.07Å; A197-V201 VanDerWaalsContact O-CG2 3.29Å; A197-V201 WeakPolarHBondContact O-CG2 3.45Å; A197-V201 PolarHBondContact O-N 3.11Å
198	I	94.3	Very high	89.2	Confident	116 Å²	116	87.9 Å²	87.9	60%	0.595	51%	0.508	S	S	*	.	H	α-helix	trans	-62.3	-43.8	178.5	-68.1	162.7	0	0	0	110.9	S194 V195 S202	S194-I198 WeakPolarHBondContact O-CD1 3.45Å; S194-I198 WeakPolarHBondContact O-CG1 3.39Å; S194-I198 PolarHBondContact O-N 3.31Å; V195-I198 PolarHBondContact O-N 2.84Å; I198-S202 WeakPolarHBondContact O-CB 3.5Å; I198-S202 PolarHBondContact O-N 3.17Å; I198-S202 PolarHBondContact O-OG 2.83Å; I198-S202 VanDerWaalsContact O-OG 3.13Å
199	V	93.7	Very high	89.2	Confident	89 Å²	89	91.5 Å²	91.5	54%	0.539	52%	0.517	S	S	.	.	H	α-helix	trans	-66.9	-38.7	177.3	175.2	0	0	0	0	111.5	V195 V196 A197 S202 A203	V195-V199 HydrophobicContact CG1-CG2 4.49Å; V195-V199 VanDerWaalsContact O-CG2 3.31Å; V195-V199 WeakPolarHBondContact O-CG2 2.99Å; V195-V199 PolarHBondContact O-N 3.21Å; V196-V199 PolarHBondContact O-N 2.88Å; A197-V199 PolarHBondContact O-N 3.46Å; V199-S202 WeakPolarHBondContact CA-OG 3.45Å; V199-S202 PolarHBondContact O-OG 2.86Å; V199-A203 WeakPolarHBondContact O-CB 3.37Å; V199-A203 PolarHBondContact O-N 3.34Å
200	G	92.9	Very high	89	Confident	36 Å²	36	93.5 Å²	93.5	37%	0.371	52%	0.52	S	S	.	.	H	α-helix	trans	-64.2	-46.8	175.9	0	0	0	0	0	112.3	V196 A197 A203 V204	V196-G200 PolarHBondContact O-N 3.21Å; A197-G200 PolarHBondContact O-N 3.11Å; G200-A203 PolarHBondContact O-N 3.28Å; G200-V204 WeakPolarHBondContact O-CG2 3.46Å; G200-V204 PolarHBondContact O-N 3.3Å
201	V	94.6	Very high	88.6	Confident	86 Å²	86	95.5 Å²	95.5	52%	0.521	52%	0.524	S	S	.	.	H	α-helix	trans	-63.9	-43.4	178.4	172.1	0	0	0	0	111	A197 A203 V204 I205	A197-V201 WeakPolarHBondContact O-CB 3.07Å; A197-V201 VanDerWaalsContact O-CG2 3.29Å; A197-V201 WeakPolarHBondContact O-CG2 3.45Å; A197-V201 PolarHBondContact O-N 3.11Å; V201-A203 VanDerWaalsContact C-N 3.35Å; V201-A203 PolarHBondContact O-N 3.19Å; V201-V204 PolarHBondContact O-N 3.01Å; V201-I205 HydrophobicContact CG1-CD1 3.65Å; V201-I205 HydrophobicContact CG1-CG1 4.26Å; V201-I205 WeakPolarHBondContact O-CB 3.4Å; V201-I205 VanDerWaalsContact O-CG1 3.26Å; V201-I205 WeakPolarHBondContact O-CG1 3.34Å; V201-I205 PolarHBondContact O-N 3.07Å
202	S	92.8	Very high	87.6	Confident	65 Å²	65	98.9 Å²	98.9	46%	0.455	53%	0.534	S	S	.	.	H	α-helix	trans	-63.8	-38.9	177.9	64.2	0	0	0	0	112.3	I198 V199 W206	I198-S202 WeakPolarHBondContact O-CB 3.5Å; I198-S202 PolarHBondContact O-N 3.17Å; I198-S202 PolarHBondContact O-OG 2.83Å; I198-S202 VanDerWaalsContact O-OG 3.13Å; V199-S202 WeakPolarHBondContact CA-OG 3.45Å; V199-S202 PolarHBondContact O-OG 2.86Å; S202-W206 VanDerWaalsContact O-CB 3.27Å; S202-W206 WeakPolarHBondContact O-CB 3.31Å; S202-W206 PolarHBondContact O-N 2.98Å
203	A	93.6	Very high	86.3	Confident	54 Å²	54	97.7 Å²	97.7	45%	0.446	53%	0.534	S	S	.	.	H	α-helix	trans	-65.9	-39.8	174.5	0	0	0	0	0	112.8	V199 G200 V201 W206 F207	V199-A203 WeakPolarHBondContact O-CB 3.37Å; V199-A203 PolarHBondContact O-N 3.34Å; G200-A203 PolarHBondContact O-N 3.28Å; V201-A203 VanDerWaalsContact C-N 3.35Å; V201-A203 PolarHBondContact O-N 3.19Å; A203-W206 PolarHBondContact O-N 2.02Å; A203-F207 WeakPolarHBondContact O-CB 3.26Å; A203-F207 PolarHBondContact O-N 3.36Å
204	V	93.6	Very high	84.5	Confident	84 Å²	84	100.4 Å²	100.4	51%	0.509	54%	0.541	S	S	.	.	H	α-helix	trans	-66.9	-46.5	176.3	171.6	0	0	0	0	110.8	G200 V201 W206 F207 L208	G200-V204 WeakPolarHBondContact O-CG2 3.46Å; G200-V204 PolarHBondContact O-N 3.3Å; V201-V204 PolarHBondContact O-N 3.01Å; V204-W206 VanDerWaalsContact C-N 3.28Å; V204-W206 PolarHBondContact O-N 3.17Å; V204-F207 PolarHBondContact O-N 3.47Å; V204-L208 HydrophobicContact CG1-CD1 3.93Å; V204-L208 HydrophobicContact CG1-CG 4.22Å; V204-L208 WeakPolarHBondContact O-CB 3.44Å; V204-L208 VanDerWaalsContact O-CG 3.27Å; V204-L208 WeakPolarHBondContact O-CG 3.26Å; V204-L208 PolarHBondContact O-N 2.72Å
205	I	91.6	Very high	82.6	Confident	103 Å²	103	100.8 Å²	100.8	53%	0.528	56%	0.555	S	S	.	*	H	α-helix	trans	-57	-46.8	175.2	-68.9	168.1	0	0	0	109.8	V201 F207 L208 H209	V201-I205 HydrophobicContact CG1-CD1 3.65Å; V201-I205 HydrophobicContact CG1-CG1 4.26Å; V201-I205 WeakPolarHBondContact O-CB 3.4Å; V201-I205 VanDerWaalsContact O-CG1 3.26Å; V201-I205 WeakPolarHBondContact O-CG1 3.34Å; V201-I205 PolarHBondContact O-N 3.07Å; I205-F207 PolarHBondContact O-N 3.17Å; I205-L208 PolarHBondContact O-N 3.23Å; I205-H209 WeakPolarHBondContact O-CB 3.1Å; I205-H209 PolarHBondContact O-N 2.86Å
206	W	89.2	Confident	80.7	Confident	171 Å²	171	101.9 Å²	101.9	65%	0.648	57%	0.565	S	S	*	*	H	α-helix	trans	-58.7	-45.5	176.8	-178	82	0	0	0	112.3	S202 A203 V204 H209 Q210	S202-W206 VanDerWaalsContact O-CB 3.27Å; S202-W206 WeakPolarHBondContact O-CB 3.31Å; S202-W206 PolarHBondContact O-N 2.98Å; A203-W206 PolarHBondContact O-N 2.02Å; V204-W206 VanDerWaalsContact C-N 3.28Å; V204-W206 PolarHBondContact O-N 3.17Å; W206-H209 PolarHBondContact O-N 3.22Å; W206-Q210 WeakPolarHBondContact O-CB 3.26Å; W206-Q210 PolarHBondContact O-N 3.44Å
207	F	91.4	Very high	78.7	Confident	129 Å²	129	102.9 Å²	102.9	57%	0.566	57%	0.572	S	S	*	*	H	α-helix	trans	-66.1	-39	178.3	-171.2	-96.6	0	0	0	112.9	A203 V204 I205 Q210 K211	A203-F207 WeakPolarHBondContact O-CB 3.26Å; A203-F207 PolarHBondContact O-N 3.36Å; V204-F207 PolarHBondContact O-N 3.47Å; I205-F207 PolarHBondContact O-N 3.17Å; F207-Q210 PolarHBondContact O-N 3.34Å; F207-K211 PolarHBondContact O-N 3.48Å
208	L	86.3	Confident	76.4	Confident	103 Å²	103	109 Å²	109	54%	0.539	59%	0.593	S	S	.	*	H	α-helix	trans	-65.9	-39.6	174.4	-68.8	176.1	0	0	0	111.3	V204 I205 K211 H212	V204-L208 HydrophobicContact CG1-CD1 3.93Å; V204-L208 HydrophobicContact CG1-CG 4.22Å; V204-L208 WeakPolarHBondContact O-CB 3.44Å; V204-L208 VanDerWaalsContact O-CG 3.27Å; V204-L208 WeakPolarHBondContact O-CG 3.26Å; V204-L208 PolarHBondContact O-N 2.72Å; I205-L208 PolarHBondContact O-N 3.23Å; L208-K211 PolarHBondContact O-N 3.38Å; L208-H212 PolarHBondContact O-N 2.73Å
209	H	77.1	Confident	74.2	Confident	143 Å²	143	110.5 Å²	110.5	66%	0.662	60%	0.601	S	S	*	*	H	α-helix	trans	-65.3	-39.8	175.3	-148.8	-106.4	0	0	0	111.5	I205 W206 H212 S213	I205-H209 WeakPolarHBondContact O-CB 3.1Å; I205-H209 PolarHBondContact O-N 2.86Å; W206-H209 PolarHBondContact O-N 3.22Å; H209-H212 PolarHBondContact O-N 3.5Å; H209-S213 WeakPolarHBondContact O-CB 3.37Å; H209-S213 PolarHBondContact O-N 3.21Å
210	Q	75.3	Confident	71.7	Confident	84 Å²	84	113 Å²	113	39%	0.393	62%	0.616	S	S	.	*	H	α-helix	trans	-62.7	-41.1	173.8	-170	-179.8	10.6	0	0	111.8	W206 F207 S213 F214	W206-Q210 WeakPolarHBondContact O-CB 3.26Å; W206-Q210 PolarHBondContact O-N 3.44Å; F207-Q210 PolarHBondContact O-N 3.34Å; Q210-S213 PolarHBondContact O-N 2.94Å; Q210-F214 PolarHBondContact O-N 3.05Å
211	K	73.4	Confident	69.1	Low	155 Å²	155	115.1 Å²	115.1	67%	0.674	63%	0.631	S	S	*	*	H	α-helix	trans	-67.1	-37.2	176.5	-171.4	178.1	179.5	-178.5	0	112.5	F207 L208 F214	F207-K211 PolarHBondContact O-N 3.48Å; L208-K211 PolarHBondContact O-N 3.38Å; K211-F214 PolarHBondContact O-N 2.87Å
212	H	60.1	Low	66.8	Low	154 Å²	154	120.3 Å²	120.3	71%	0.713	65%	0.647	S	S	*	*	H	α-helix	trans	-69.9	-36.7	175.1	-162.3	-89.7	0	0	0	111.8	L208 H209 F214 G215	L208-H212 PolarHBondContact O-N 2.73Å; H209-H212 PolarHBondContact O-N 3.5Å; H212-F214 VanDerWaalsContact C-N 3.31Å; H212-F214 PolarHBondContact O-N 3.17Å; H212-G215 PolarHBondContact O-N 3.5Å
213	S	57.1	Low	64.1	Low	75 Å²	75	126 Å²	126	52%	0.524	67%	0.666	S	S	.	*	H	α-helix	trans	-66.6	-28.9	172.1	140.2	0	0	0	0	113	H209 Q210 G215	H209-S213 WeakPolarHBondContact O-CB 3.37Å; H209-S213 PolarHBondContact O-N 3.21Å; Q210-S213 PolarHBondContact O-N 2.94Å; S213-G215 PolarHBondContact O-N 3.25Å
214	F	51.1	Low	61.3	Low	171 Å²	171	132.4 Å²	132.4	75%	0.75	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.1	-12.1	176.1	-129.1	-94	0	0	0	113.5	Q210 K211 H212	Q210-F214 PolarHBondContact O-N 3.05Å; K211-F214 PolarHBondContact O-N 2.87Å; H212-F214 VanDerWaalsContact C-N 3.31Å; H212-F214 PolarHBondContact O-N 3.17Å
215	G	49.5	Very low	58.6	Low	65 Å²	65	136.7 Å²	136.7	67%	0.67	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.6	0.4	179.2	0	0	0	0	0	115.5	H212 S213	H212-G215 PolarHBondContact O-N 3.5Å; S213-G215 PolarHBondContact O-N 3.25Å
216	S	51.7	Low	56.2	Low	104 Å²	104	135.9 Å²	135.9	73%	0.727	70%	0.696	S	S	*	*	S	Bend	trans	-124.2	27.6	-179.1	-58.1	0	0	0	0	114.1
217	T	51.6	Low	54.6	Low	117 Å²	117	132.6 Å²	132.6	72%	0.718	70%	0.696	S	S	*	*			trans	-134.7	71.3	172.5	-20.9	0	0	0	0	111.3
218	M	42.8	Very low	52.1	Low	184 Å²	184	136.9 Å²	136.9	91%	0.906	72%	0.715	S	S	*	*			trans	-107.4	91.8	163.5	-92.3	-94.3	-159.4	0	0	108.8
219	I	48.1	Very low	50.2	Low	148 Å²	148	143.5 Å²	143.5	76%	0.759	73%	0.733	S	S	*	*			trans	12.1	108.1	138	-51	176.2	0	0	0	115
220	T	42.1	Very low	48.4	Very low	141 Å²	141	143.2 Å²	143.2	87%	0.865	74%	0.741	S	S	*	*			trans	-94.1	114.9	144.3	46.3	0	0	0	0	107.7
221	A	39.2	Very low	46.6	Very low	81 Å²	81	146.4 Å²	146.4	67%	0.669	76%	0.76	S	S	*	*			trans	-65.8	145.3	178.5	0	0	0	0	0	110.5	E223	A221-E223 PolarHBondContact O-N 3.06Å
222	F	44.4	Very low	44.8	Very low	196 Å²	196	146 Å²	146	86%	0.86	77%	0.765	S	S	*	*			trans	-50.3	122.3	168.6	-78.7	-103	0	0	0	111.5
223	E	37.1	Very low	43.6	Very low	183 Å²	183	142.3 Å²	142.3	86%	0.855	76%	0.757	S	S	*	*			trans	-120.5	108.2	154.5	-162	93.8	-140.9	0	0	106.9	A221	A221-E223 PolarHBondContact O-N 3.06Å
224	Y	35.2	Very low	42.7	Very low	190 Å²	190	145.5 Å²	145.5	75%	0.745	77%	0.768	S	S	*	*			trans	-95.6	122.3	-177.2	-162.8	-88.4	0	0	0	108.6	P226	Y224-P226 HydrophobicContact CD1-CG 4.43Å; Y224-P226 HydrophobicContact CE1-CG 3.9Å
225	H	36.8	Very low	42.3	Very low	174 Å²	174	145.9 Å²	145.9	81%	0.806	77%	0.772	S	S	*	*			trans	-149.8	116.9	160.6	-98.7	-66.2	0	0	0	110.9
226	P	40.8	Very low	41.8	Very low	86 Å²	86	147 Å²	147	56%	0.558	77%	0.769	S	S	*	*			trans	-106.1	-178.8	162.2	38.8	-28.6	0	0	0	110.1	Y224	Y224-P226 HydrophobicContact CD1-CG 4.43Å; Y224-P226 HydrophobicContact CE1-CG 3.9Å
227	P	55.4	Low	41.2	Very low	102 Å²	102	147.5 Å²	147.5	66%	0.662	77%	0.772	S	S	*	*			cis	-128.7	152.7	-37.1	33	-17.7	0	0	0	111.4
228	F	39.5	Very low	40.6	Very low	218 Å²	218	150 Å²	150	96%	0.956	78%	0.78	S	S	*	*			trans	-147.3	127.3	151.9	-90.7	-75.5	0	0	0	111.1
229	R	45.3	Very low	40.6	Very low	242 Å²	242	147.5 Å²	147.5	91%	0.913	78%	0.775	S	S	*	*			trans	-75.4	141.6	173.5	-64.4	-177.1	172	148.8	-2.9	110.8
230	V	39.2	Very low	40.5	Very low	138 Å²	138	149.9 Å²	149.9	84%	0.836	78%	0.783	S	S	*	*			trans	-167.4	108.3	139	179.4	0	0	0	0	105.2
231	L	37.3	Very low	40.8	Very low	151 Å²	151	147.1 Å²	147.1	79%	0.791	77%	0.774	S	S	*	*				83.4	140.6	86	-147.7	134	0	0	0	114.4
232	D	35.8	Very low	41.3	Very low	145 Å²	145	151.5 Å²	151.5	78%	0.775	78%	0.781	S	S	*	*			trans	73.1	153.5	-178.7	-84	-8.3	0	0	0	120
233	S	36.2	Very low	41.5	Very low	78 Å²	78	149.9 Å²	149.9	55%	0.545	78%	0.776	S	S	.	*			cis	172.7	147.8	-34.5	179.4	0	0	0	0	104
234	D	38.2	Very low	41.9	Very low	142 Å²	142	146 Å²	146	76%	0.759	77%	0.765	S	S	*	*			trans	71.5	112.9	163.3	-57.5	-41	0	0	0	119.3
235	Q	42.5	Very low	42.4	Very low	179 Å²	179	144.1 Å²	144.1	84%	0.836	77%	0.768	S	S	*	*				163.3	88.1	88.4	-157.8	160.3	-0.1	0	0	107.9
236	S	39.4	Very low	42.8	Very low	87 Å²	87	141.8 Å²	141.8	61%	0.608	77%	0.766	S	S	*	*				50.5	112.2	95.1	77.1	0	0	0	0	116.1
237	C	38.1	Very low	43.4	Very low	116 Å²	116	143.5 Å²	143.5	78%	0.784	77%	0.774	S	S	*	*			trans	64.8	140.1	135.3	-45.9	0	0	0	0	117.8
238	L	40.1	Very low	43.5	Very low	168 Å²	168	148 Å²	148	88%	0.88	80%	0.803	S	S	*	*			cis	-151.3	146	40.7	-83.2	161.6	0	0	0	111.3
239	V	41.3	Very low	43.7	Very low	133 Å²	133	144.5 Å²	144.5	81%	0.806	80%	0.796	S	S	*	*			trans	-80.2	134.1	162.5	172.6	0	0	0	0	107.5
240	E	46.8	Very low	43.7	Very low	198 Å²	198	139.3 Å²	139.3	93%	0.925	79%	0.79	S	S	*	*			trans	-111.4	127	159.1	-149.7	153.4	152.6	0	0	107.4
241	A	48.3	Very low	43.9	Very low	83 Å²	83	139.4 Å²	139.4	69%	0.686	79%	0.787	S	S	*	*			trans	-98.5	-173.5	-173	0	0	0	0	0	110.7
242	E	49.3	Very low	44.3	Very low	172 Å²	172	138.7 Å²	138.7	80%	0.804	79%	0.787	S	S	*	*			trans	97.6	91.4	160.4	-146	159.7	121.7	0	0	114
243	E	49.3	Very low	44.8	Very low	162 Å²	162	138.3 Å²	138.3	76%	0.757	79%	0.787	S	S	*	*				89.2	108.5	94.5	-92	-157.9	124.2	0	0	111.1
244	T	44.8	Very low	45.4	Very low	103 Å²	103	142.3 Å²	142.3	63%	0.632	80%	0.804	S	S	*	*				49.7	117.1	104	43	0	0	0	0	113.8
245	D	46.3	Very low	45.9	Very low	149 Å²	149	142.4 Å²	142.4	80%	0.797	81%	0.807	S	S	*	*				-155	143.5	98.3	-134.1	-18.4	0	0	0	112.6
246	T	46.1	Very low	46.2	Very low	125 Å²	125	139.5 Å²	139.5	77%	0.767	80%	0.804	S	S	*	*			trans	-114.9	126.2	176.1	-34.2	0	0	0	0	104.9
247	V	52.2	Low	46.8	Very low	122 Å²	122	143.9 Å²	143.9	74%	0.739	82%	0.821	S	S	*	*			trans	-138.6	143.5	164.9	-176.8	0	0	0	0	108.5
248	P	58.7	Low	47.6	Very low	196 Å²	196	146.5 Å²	146.5	100%	1.273	82%	0.824	S	S	*	*			trans	-69.9	0	-164.8	-13.3	29.4	0	0	0	115.2

Retrieved 248 of 248 residues in 68.1 ms (Link to these results)

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