A0A077ZAU4_TRITR Loading...

Zinc metalloproteinase

AlphaFold DB , UniProt , Accession A0A077ZAU4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 426 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	29.8	Very low	28.7	Very low	236 Å²	236	155.7 Å²	155.7	100%	1.163	87%	0.868	S	S	*	*				0	72.4	0	-62.6	-179.1	-166.2	0	0	106.3
2	C	32.4	Very low	28.5	Very low	137 Å²	137	156.6 Å²	156.6	93%	0.926	87%	0.87	S	S	*	*				115.7	126	100.1	-74.1	0	0	0	0	104.9
3	G	30.6	Very low	28.3	Very low	77 Å²	77	149.7 Å²	149.7	79%	0.794	86%	0.856	S	S	*	*			cis	153.3	132.8	10	0	0	0	0	0	106.6
4	N	30.5	Very low	28.2	Very low	158 Å²	158	148.9 Å²	148.9	85%	0.845	86%	0.855	S	S	*	*			trans	-56.3	161.9	-179.2	-69.6	-32.1	0	0	0	114.7
5	L	31.1	Very low	28.1	Very low	176 Å²	176	147.8 Å²	147.8	92%	0.921	85%	0.852	S	S	*	*				178.5	153.8	115.1	-92	156.5	0	0	0	114.4
6	F	25.7	Very low	28	Very low	188 Å²	188	148.9 Å²	148.9	83%	0.825	85%	0.847	S	S	*	*			trans	-99	164.7	-170	-109.3	-94.5	0	0	0	113.3
7	Q	25.9	Very low	27.8	Very low	183 Å²	183	150.7 Å²	150.7	86%	0.855	85%	0.846	S	S	*	*			trans	74.9	143.5	158.3	-70.4	170.8	-1.1	0	0	117.5
8	S	27.4	Very low	27.6	Very low	114 Å²	114	149.9 Å²	149.9	80%	0.797	84%	0.84	S	S	*	*			cis	-156.9	170.9	21.8	53.7	0	0	0	0	112.8
9	S	26	Very low	27.5	Very low	102 Å²	102	147.8 Å²	147.8	71%	0.713	84%	0.836	S	S	*	*			trans	-48.7	149.8	-179.9	52	0	0	0	0	119.8
10	D	29.8	Very low	27.4	Very low	172 Å²	172	148.5 Å²	148.5	92%	0.92	84%	0.836	S	S	*	*			trans	-148.5	144.2	137.2	-103.2	-27.2	0	0	0	112.3
11	Q	26.4	Very low	27.3	Very low	170 Å²	170	146.6 Å²	146.6	79%	0.794	84%	0.838	S	S	*	*			trans	-90.3	152.8	-178.5	-70.9	176.5	-30.5	0	0	111.8
12	N	27.1	Very low	27.3	Very low	166 Å²	166	139.8 Å²	139.8	89%	0.888	81%	0.814	S	S	*	*			trans	105.4	121	160.7	-61.2	-31.6	0	0	0	116.6
13	G	25.2	Very low	27	Very low	67 Å²	67	141.6 Å²	141.6	69%	0.691	81%	0.809	S	S	*	*			trans	127	100.2	149.4	0	0	0	0	0	114.5
14	V	26.7	Very low	27.3	Very low	139 Å²	139	142.4 Å²	142.4	84%	0.842	80%	0.8	S	S	*	*			trans	63.1	94	148.9	-166.6	0	0	0	0	115.5	E16	V14-E16 PolarHBondContact O-N 3.14Å
15	V	27.9	Very low	27.8	Very low	132 Å²	132	138.1 Å²	138.1	80%	0.8	78%	0.783	S	S	*	*			trans	-69.4	102.4	160.4	177	0	0	0	0	107.6	Q17	V15-Q17 PolarHBondContact O-N 3.4Å
16	E	25.7	Very low	28.9	Very low	165 Å²	165	134.5 Å²	134.5	77%	0.771	77%	0.772	S	S	*	*			trans	-62.3	94.7	168.5	-163.6	171.5	-158.1	0	0	109	V14 N18	V14-E16 PolarHBondContact O-N 3.14Å; E16-N18 PolarHBondContact O-N 3.16Å
17	Q	25.1	Very low	30.3	Very low	180 Å²	180	131.2 Å²	131.2	84%	0.841	76%	0.763	S	S	*	*			trans	-82.7	86	163.6	-78.3	-176	-12.4	0	0	107.9	V15	V15-Q17 PolarHBondContact O-N 3.4Å
18	N	24.5	Very low	31.9	Very low	136 Å²	136	126.2 Å²	126.2	73%	0.727	74%	0.739	S	S	*	*			trans	-138.1	135.2	164.4	-101.2	-22.3	0	0	0	110.3	E16	E16-N18 PolarHBondContact O-N 3.16Å
19	S	24.5	Very low	33.6	Very low	111 Å²	111	124.1 Å²	124.1	78%	0.776	73%	0.725	S	S	*	*			trans	80.7	74.1	162.3	72.3	0	0	0	0	119.2
20	I	26.2	Very low	35.6	Very low	161 Å²	161	122.6 Å²	122.6	83%	0.826	71%	0.714	S	S	*	*			trans	-131.5	77.1	135.5	-53.1	178.1	0	0	0	107.7
21	A	25.1	Very low	37.7	Very low	108 Å²	108	120.8 Å²	120.8	89%	0.893	70%	0.703	S	S	*	*			trans	-108.7	72.3	153	0	0	0	0	0	105.8
22	S	29.5	Very low	40.2	Very low	94 Å²	94	113.2 Å²	113.2	66%	0.657	67%	0.669	S	S	*	*			trans	-94.9	130	169.2	54.6	0	0	0	0	107.8
23	E	26.6	Very low	42.6	Very low	175 Å²	175	106.3 Å²	106.3	82%	0.818	63%	0.63	S	S	*	*			trans	-22	140.9	-179.9	-60.2	-174.5	158.3	0	0	116.1	S25	E23-S25 PolarHBondContact O-N 2.49Å
24	P	35.7	Very low	45.3	Very low	93 Å²	93	103.1 Å²	103.1	60%	0.604	60%	0.598	S	S	*	*			trans	-59.1	111.7	171.6	28.6	-32.9	0	0	0	107.6	S26 G125	P24-S26 PolarHBondContact O-N 2.77Å; P24-S26 VanDerWaalsContact O-N 3.15Å; P24-G125 VanDerWaalsContact CB-CA 3.45Å; P24-G125 WeakPolarHBondContact CB-O 3.31Å
25	S	42.7	Very low	47.9	Very low	69 Å²	69	97.7 Å²	97.7	48%	0.483	57%	0.57	S	S	.	*			trans	-60.8	123.6	-172.6	61.8	0	0	0	0	108.9	E23 L27 E28	E23-S25 PolarHBondContact O-N 2.49Å; S25-L27 PolarHBondContact O-N 3.46Å; S25-E28 PolarHBondContact O-N 3.32Å
26	S	53.7	Low	50.7	Low	99 Å²	99	92.4 Å²	92.4	69%	0.692	54%	0.537	S	S	*	.	H	α-helix	trans	-47.2	-10.1	172.2	55	0	0	0	0	115.5	P24 S29 S30	P24-S26 PolarHBondContact O-N 2.77Å; P24-S26 VanDerWaalsContact O-N 3.15Å; S26-S29 PolarHBondContact O-OG 2.86Å; S26-S30 WeakPolarHBondContact O-CB 3.48Å; S26-S30 PolarHBondContact O-N 2.89Å
27	L	54.3	Low	53.3	Low	120 Å²	120	84.6 Å²	84.6	63%	0.628	50%	0.501	S	S	*	.	H	α-helix	trans	-71.2	-40.4	175.5	-152.9	79.5	0	0	0	112.8	S25 S30	S25-L27 PolarHBondContact O-N 3.46Å; L27-S30 PolarHBondContact O-N 3.2Å; L27-S30 PolarHBondContact O-OG 2.87Å
28	E	61	Low	56.1	Low	78 Å²	78	78.7 Å²	78.7	36%	0.364	48%	0.475	S	S	.	.	H	α-helix	trans	-65	-49.4	-179.1	-76.7	-166.7	166.6	0	0	110.8	S25 S30 L31 G125 Y128	S25-E28 PolarHBondContact O-N 3.32Å; E28-S30 PolarHBondContact O-N 2.96Å; E28-L31 PolarHBondContact O-N 3.28Å; E28-L31 VanDerWaalsContact O-N 3.1Å; E28-G125 WeakPolarHBondContact OE2-CA 3.05Å; E28-G125 PolarHBondContact OE2-N 2.96Å; E28-Y128 PolarHBondContact OE2-OH 3.41Å
29	S	62.1	Low	58.7	Low	70 Å²	70	74 Å²	74	49%	0.49	45%	0.45	S	S	.	.	H	α-helix	trans	-62.7	-29.5	179.8	59	0	0	0	0	113.2	S26 L31 L32	S26-S29 PolarHBondContact O-OG 2.86Å; S29-L31 PolarHBondContact O-N 2.95Å; S29-L32 PolarHBondContact O-N 3.12Å
30	S	68.4	Low	61.2	Low	70 Å²	70	69.1 Å²	69.1	49%	0.49	42%	0.415	S	S	.	.	H	α-helix	trans	-70.1	-18.1	177.7	76.2	0	0	0	0	114.4	S26 L27 E28	S26-S30 WeakPolarHBondContact O-CB 3.48Å; S26-S30 PolarHBondContact O-N 2.89Å; L27-S30 PolarHBondContact O-N 3.2Å; L27-S30 PolarHBondContact O-OG 2.87Å; E28-S30 PolarHBondContact O-N 2.96Å
31	L	73.4	Confident	63.6	Low	133 Å²	133	66.1 Å²	66.1	70%	0.696	41%	0.406	S	S	*	.	H	α-helix	trans	-96.2	-10	-178.7	-67.6	169.6	0	0	0	113.1	E28 S29	E28-L31 PolarHBondContact O-N 3.28Å; E28-L31 VanDerWaalsContact O-N 3.1Å; S29-L31 PolarHBondContact O-N 2.95Å
32	L	78.7	Confident	65.8	Low	12 Å²	12	67 Å²	67	6%	0.063	39%	0.394	C	S	.	.			trans	-79.3	133.2	-178.9	-61.4	172.1	0	0	0	110.2	S29 G35 L38 Y128	S29-L32 PolarHBondContact O-N 3.12Å; L32-G35 WeakPolarHBondContact CB-O 3.36Å; L32-G35 WeakPolarHBondContact CD1-O 3.05Å; L32-L38 HydrophobicContact CD2-CB 4.21Å; L32-L38 HydrophobicContact CD2-CD1 4.36Å; L32-Y128 HydrophobicContact CD1-CD1 3.72Å; L32-Y128 HydrophobicContact CD1-CE1 4.47Å; L32-Y128 HydrophobicContact CD1-CG 3.95Å; L32-Y128 HydrophobicContact CD2-CD1 4.34Å; L32-Y128 HydrophobicContact CD2-CD2 4.18Å; L32-Y128 HydrophobicContact CD2-CG 3.93Å
33	F	78.2	Confident	68.1	Low	20 Å²	20	63 Å²	63	9%	0.088	36%	0.364	C	S	.	.	B	Isolated β-bridge	trans	-79.9	137.4	173.1	-179.9	-104	0	0	0	109.1	G35 I37 L39 I47 W163 F188	F33-G35 PolarHBondContact O-N 2.75Å; F33-G35 VanDerWaalsContact O-N 3.12Å; F33-I37 HydrophobicContact CB-CB 4.4Å; F33-I37 HydrophobicContact CD1-CB 4.47Å; F33-I37 PolarHBondContact N-O 2.81Å; F33-I37 WeakPolarHBondContact O-CA 3.32Å; F33-I37 WeakPolarHBondContact O-CB 3.44Å; F33-I37 PolarHBondContact O-N 3.19Å; F33-L39 HydrophobicContact CB-CD1 3.43Å; F33-L39 VanDerWaalsContact CB-CD1 3.43Å; F33-L39 HydrophobicContact CB-CD2 4.07Å; F33-L39 HydrophobicContact CB-CG 3.53Å; F33-L39 HydrophobicContact CD1-CD1 4.15Å; F33-L39 HydrophobicContact CD1-CD2 3.94Å; F33-L39 HydrophobicContact CD1-CG 4.3Å; F33-L39 HydrophobicContact CD2-CD1 4.02Å; F33-L39 HydrophobicContact CG-CD1 3.58Å; F33-L39 HydrophobicContact CG-CD2 4.15Å; F33-L39 HydrophobicContact CG-CG 4Å; F33-I47 HydrophobicContact CD1-CD1 4.32Å; F33-I47 HydrophobicContact CE1-CD1 4.17Å; F33-I47 HydrophobicContact CE2-CG2 4.29Å; F33-I47 HydrophobicContact CZ-CD1 4.4Å; F33-W163 HydrophobicContact CD1-CZ3 4.07Å; F33-W163 HydrophobicContact CE1-CZ3 4.1Å; F33-F188 HydrophobicContact CD2-CD2 4.47Å
34	E	80.7	Confident	70.4	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.5	37	-175.7	-72.9	179	-162.2	0	0	111.1	D36 I37 H164 S167 N189 R193 Y213	E34-D36 PolarHBondContact O-N 2.84Å; E34-D36 VanDerWaalsContact O-OD1 3.12Å; E34-I37 HydrophobicContact CB-CD1 4.2Å; E34-H164 WeakPolarHBondContact CB-ND1 3.5Å; E34-H164 PolarHBondContact O-CE1 3.22Å; E34-H164 WeakPolarHBondContact OE2-CB 3.24Å; E34-H164 IonicContact OE2-CE1 3.04Å; E34-H164 IonicContact OE2-CG 2.55Å; E34-H164 IonicContact OE2-ND1 3.62Å; E34-H164 PolarHBondContact OE2-ND1 2.95Å; E34-S167 VanDerWaalsContact OE1-CB 3.23Å; E34-S167 WeakPolarHBondContact OE1-CB 3.24Å; E34-S167 PolarHBondContact OE1-OG 3.29Å; E34-S167 PolarHBondContact OE2-OG 3.01Å; E34-N189 WeakPolarHBondContact CA-OD1 3.31Å; E34-N189 PolarHBondContact N-OD1 2.75Å; E34-R193 IonicContact OE1-CZ 3.18Å; E34-R193 IonicContact OE1-NE 2.89Å; E34-Y213 VanDerWaalsContact CA-OH 3.24Å; E34-Y213 WeakPolarHBondContact CA-OH 3.39Å; E34-Y213 VanDerWaalsContact CB-OH 3.28Å; E34-Y213 WeakPolarHBondContact CB-OH 3.34Å; E34-Y213 PolarHBondContact O-OH 3.17Å
35	G	82.1	Confident	72.3	Confident	26 Å²	26	54.5 Å²	54.5	27%	0.268	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.2	-32.2	174.9	0	0	0	0	0	117.8	L32 F33 N189	L32-G35 WeakPolarHBondContact CB-O 3.36Å; L32-G35 WeakPolarHBondContact CD1-O 3.05Å; F33-G35 PolarHBondContact O-N 2.75Å; F33-G35 VanDerWaalsContact O-N 3.12Å; G35-N189 PolarHBondContact N-OD1 2.77Å
36	D	85.6	Confident	73.6	Confident	21 Å²	21	54.7 Å²	54.7	11%	0.112	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-139.7	7.5	-171.9	56.9	16.3	0	0	0	113.7	E34 C127 Y128 S129 H154 H158 H164	E34-D36 PolarHBondContact O-N 2.84Å; E34-D36 VanDerWaalsContact O-OD1 3.12Å; D36-C127 VanDerWaalsContact CB-O 3.29Å; D36-C127 WeakPolarHBondContact CB-O 3.42Å; D36-Y128 CarbonylContact O-C 3.55Å; D36-Y128 WeakPolarHBondContact O-CA 3.4Å; D36-Y128 WeakPolarHBondContact O-CB 3.29Å; D36-S129 PolarHBondContact O-N 3.03Å; D36-H154 IonicContact OD2-NE2 3.33Å; D36-H154 PolarHBondContact OD2-NE2 2.94Å; D36-H158 IonicContact OD1-NE2 3.05Å; D36-H158 PolarHBondContact OD1-NE2 2.85Å; D36-H164 IonicContact OD1-CE1 3.82Å; D36-H164 PolarHBondContact OD1-CE1 3.45Å; D36-H164 IonicContact OD1-NE2 3.03Å; D36-H164 PolarHBondContact OD1-NE2 3.46Å; D36-H164 IonicContact OD2-CE1 3.94Å; D36-H164 IonicContact OD2-NE2 2.68Å; D36-H164 PolarHBondContact OD2-NE2 2.9Å
37	I	82.1	Confident	74.4	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	-103.2	117.4	178.1	-56.5	174.7	0	0	0	111.1	F33 E34 L39 S129 V131 W163	F33-I37 HydrophobicContact CB-CB 4.4Å; F33-I37 HydrophobicContact CD1-CB 4.47Å; F33-I37 PolarHBondContact N-O 2.81Å; F33-I37 WeakPolarHBondContact O-CA 3.32Å; F33-I37 WeakPolarHBondContact O-CB 3.44Å; F33-I37 PolarHBondContact O-N 3.19Å; E34-I37 HydrophobicContact CB-CD1 4.2Å; I37-L39 HydrophobicContact CG2-CD2 3.76Å; I37-L39 HydrophobicContact CG2-CG 4.4Å; I37-L39 PolarHBondContact O-N 3.43Å; I37-S129 WeakPolarHBondContact CA-O 3.43Å; I37-V131 HydrophobicContact CD1-CG2 3.86Å; I37-V131 HydrophobicContact CG1-CG2 4.14Å; I37-V131 HydrophobicContact CG2-CG2 3.7Å; I37-W163 HydrophobicContact CD1-CE3 3.51Å; I37-W163 HydrophobicContact CD1-CZ3 3.61Å; I37-W163 HydrophobicContact CG2-CH2 4.41Å; I37-W163 HydrophobicContact CG2-CZ3 4.05Å
38	L	83.9	Confident	75.3	Confident	56 Å²	56	50 Å²	50	29%	0.293	30%	0.295	S	S	.	.			trans	-83.8	102.9	167.7	-174	63.5	0	0	0	109.7	L32 Y128 S129 M130	L32-L38 HydrophobicContact CD2-CB 4.21Å; L32-L38 HydrophobicContact CD2-CD1 4.36Å; L38-Y128 HydrophobicContact CB-CD2 4.46Å; L38-S129 PolarHBondContact N-O 3.41Å; L38-M130 HydrophobicContact CB-CG 4.16Å; L38-M130 HydrophobicContact CD2-CE 3.58Å; L38-M130 HydrophobicContact CD2-CG 4.39Å; L38-M130 HydrophobicContact CG-CE 4.19Å; L38-M130 HydrophobicContact CG-CG 4.44Å; L38-M130 WeakPolarHBondContact O-CG 3.16Å
39	L	78	Confident	75.7	Confident	39 Å²	39	52.1 Å²	52.1	20%	0.204	31%	0.305	C	S	.	.			trans	-75.1	137.3	-179.3	-62.5	176.3	0	0	0	112.2	F33 I37 Q43 A44 I47 W163	F33-L39 HydrophobicContact CB-CD1 3.43Å; F33-L39 VanDerWaalsContact CB-CD1 3.43Å; F33-L39 HydrophobicContact CB-CD2 4.07Å; F33-L39 HydrophobicContact CB-CG 3.53Å; F33-L39 HydrophobicContact CD1-CD1 4.15Å; F33-L39 HydrophobicContact CD1-CD2 3.94Å; F33-L39 HydrophobicContact CD1-CG 4.3Å; F33-L39 HydrophobicContact CD2-CD1 4.02Å; F33-L39 HydrophobicContact CG-CD1 3.58Å; F33-L39 HydrophobicContact CG-CD2 4.15Å; F33-L39 HydrophobicContact CG-CG 4Å; I37-L39 HydrophobicContact CG2-CD2 3.76Å; I37-L39 HydrophobicContact CG2-CG 4.4Å; I37-L39 PolarHBondContact O-N 3.43Å; L39-Q43 HydrophobicContact CB-CB 4.22Å; L39-Q43 HydrophobicContact CD2-CB 3.93Å; L39-A44 HydrophobicContact CB-CB 4.22Å; L39-A44 HydrophobicContact CD1-CB 4.18Å; L39-I47 HydrophobicContact CD1-CD1 3.63Å; L39-I47 HydrophobicContact CD2-CD1 3.7Å; L39-I47 HydrophobicContact CG-CD1 4.35Å; L39-W163 HydrophobicContact CD2-CH2 3.72Å; L39-W163 HydrophobicContact CD2-CZ3 4.05Å
40	S	76.8	Confident	75.9	Confident	7 Å²	7	49.3 Å²	49.3	5%	0.049	29%	0.286	C	S	.	.			trans	-65.1	155.9	160.9	62.3	0	0	0	0	111.3	M42 Q43 A44 Y134	S40-M42 PolarHBondContact O-N 2.79Å; S40-M42 VanDerWaalsContact O-N 3.16Å; S40-Q43 PolarHBondContact O-N 2.82Å; S40-Q43 WeakPolarHBondContact OG-CB 3.46Å; S40-Q43 VanDerWaalsContact OG-CD 3.31Å; S40-Q43 VanDerWaalsContact OG-CG 3.27Å; S40-Q43 WeakPolarHBondContact OG-CG 3.4Å; S40-Q43 PolarHBondContact OG-N 2.76Å; S40-Q43 VanDerWaalsContact OG-N 3.17Å; S40-Q43 PolarHBondContact OG-OE1 3.28Å; S40-A44 PolarHBondContact O-N 2.85Å; S40-Y134 VanDerWaalsContact CB-CE2 3.48Å
41	P	76.3	Confident	75.7	Confident	98 Å²	98	48.6 Å²	48.6	64%	0.636	28%	0.284	S	S	*	.	H	α-helix	trans	-53.9	-36.3	174.6	-28	35.4	0	0	0	113.5	S45	P41-S45 VanDerWaalsContact O-CB 3.31Å; P41-S45 WeakPolarHBondContact O-CB 3.32Å; P41-S45 PolarHBondContact O-N 3.1Å
42	M	73	Confident	74.9	Confident	128 Å²	128	46.2 Å²	46.2	63%	0.631	28%	0.283	S	S	*	.	H	α-helix	trans	-66.8	-46.4	174.9	-74.4	-179.2	66.9	0	0	112.1	S40 S45 D46	S40-M42 PolarHBondContact O-N 2.79Å; S40-M42 VanDerWaalsContact O-N 3.16Å; M42-S45 WeakPolarHBondContact O-CB 3.5Å; M42-S45 PolarHBondContact O-N 2.82Å; M42-D46 VanDerWaalsContact O-CG 3.23Å; M42-D46 PolarHBondContact O-N 2.99Å
43	Q	76.2	Confident	73.6	Confident	9 Å²	9	51 Å²	51	4%	0.042	31%	0.309	C	S	.	.	H	α-helix	trans	-62	-45.7	176.9	-76.2	161.9	-42.9	0	0	111.7	L39 S40 S45 D46 I47 V131	L39-Q43 HydrophobicContact CB-CB 4.22Å; L39-Q43 HydrophobicContact CD2-CB 3.93Å; S40-Q43 PolarHBondContact O-N 2.82Å; S40-Q43 WeakPolarHBondContact OG-CB 3.46Å; S40-Q43 VanDerWaalsContact OG-CD 3.31Å; S40-Q43 VanDerWaalsContact OG-CG 3.27Å; S40-Q43 WeakPolarHBondContact OG-CG 3.4Å; S40-Q43 PolarHBondContact OG-N 2.76Å; S40-Q43 VanDerWaalsContact OG-N 3.17Å; S40-Q43 PolarHBondContact OG-OE1 3.28Å; Q43-S45 VanDerWaalsContact C-N 3.3Å; Q43-S45 PolarHBondContact O-N 2.84Å; Q43-D46 PolarHBondContact O-N 3.19Å; Q43-I47 WeakPolarHBondContact O-CB 3.44Å; Q43-I47 WeakPolarHBondContact O-CD1 3.5Å; Q43-I47 WeakPolarHBondContact O-CG1 3.47Å; Q43-I47 PolarHBondContact O-N 2.8Å; Q43-V131 PolarHBondContact NE2-O 3.08Å; Q43-V131 VanDerWaalsContact NE2-O 3.15Å
44	A	75.7	Confident	72.4	Confident	38 Å²	38	56.8 Å²	56.8	31%	0.314	33%	0.331	S	S	.	.	H	α-helix	trans	-57.7	-45.4	176.4	0	0	0	0	0	111.1	L39 S40 I47 V48	L39-A44 HydrophobicContact CB-CB 4.22Å; L39-A44 HydrophobicContact CD1-CB 4.18Å; S40-A44 PolarHBondContact O-N 2.85Å; A44-I47 PolarHBondContact O-N 3.01Å; A44-V48 VanDerWaalsContact O-CG2 3.3Å; A44-V48 WeakPolarHBondContact O-CG2 3.28Å; A44-V48 PolarHBondContact O-N 2.92Å
45	S	74.8	Confident	70.8	Confident	52 Å²	52	60 Å²	60	36%	0.364	36%	0.364	S	S	.	.	H	α-helix	trans	-59.5	-50.8	174.7	179.7	0	0	0	0	111.8	P41 M42 Q43 I47 V48 H49	P41-S45 VanDerWaalsContact O-CB 3.31Å; P41-S45 WeakPolarHBondContact O-CB 3.32Å; P41-S45 PolarHBondContact O-N 3.1Å; M42-S45 WeakPolarHBondContact O-CB 3.5Å; M42-S45 PolarHBondContact O-N 2.82Å; Q43-S45 VanDerWaalsContact C-N 3.3Å; Q43-S45 PolarHBondContact O-N 2.84Å; S45-I47 VanDerWaalsContact C-N 3.29Å; S45-I47 PolarHBondContact O-N 2.92Å; S45-V48 PolarHBondContact O-N 2.89Å; S45-H49 PolarHBondContact O-N 2.85Å; S45-H49 PolarHBondContact O-ND1 2.64Å; S45-H49 PolarHBondContact OG-CE1 2.89Å; S45-H49 VanDerWaalsContact OG-CE1 3.24Å; S45-H49 PolarHBondContact OG-ND1 2.64Å
46	D	71	Confident	68.9	Low	73 Å²	73	66.6 Å²	66.6	39%	0.39	39%	0.394	S	S	.	.	H	α-helix	trans	-58.8	-43.2	-178.5	-68.7	-23	0	0	0	111	M42 Q43 H49 S50 Q197	M42-D46 VanDerWaalsContact O-CG 3.23Å; M42-D46 PolarHBondContact O-N 2.99Å; Q43-D46 PolarHBondContact O-N 3.19Å; D46-H49 PolarHBondContact O-N 3.24Å; D46-S50 WeakPolarHBondContact O-CB 3.45Å; D46-S50 PolarHBondContact O-N 2.92Å; D46-S50 PolarHBondContact O-OG 3.18Å; D46-Q197 VanDerWaalsContact C-NE2 3.27Å; D46-Q197 PolarHBondContact O-NE2 3.45Å
47	I	70.3	Confident	67	Low	16 Å²	16	73.8 Å²	73.8	8%	0.082	42%	0.419	C	S	.	.	H	α-helix	trans	-63.9	-43.4	179.4	-67.1	166.6	0	0	0	111.5	F33 L39 Q43 A44 S45 S50 A51	F33-I47 HydrophobicContact CD1-CD1 4.32Å; F33-I47 HydrophobicContact CE1-CD1 4.17Å; F33-I47 HydrophobicContact CE2-CG2 4.29Å; F33-I47 HydrophobicContact CZ-CD1 4.4Å; L39-I47 HydrophobicContact CD1-CD1 3.63Å; L39-I47 HydrophobicContact CD2-CD1 3.7Å; L39-I47 HydrophobicContact CG-CD1 4.35Å; Q43-I47 WeakPolarHBondContact O-CB 3.44Å; Q43-I47 WeakPolarHBondContact O-CD1 3.5Å; Q43-I47 WeakPolarHBondContact O-CG1 3.47Å; Q43-I47 PolarHBondContact O-N 2.8Å; A44-I47 PolarHBondContact O-N 3.01Å; S45-I47 VanDerWaalsContact C-N 3.29Å; S45-I47 PolarHBondContact O-N 2.92Å; I47-S50 PolarHBondContact O-N 3.47Å; I47-S50 PolarHBondContact O-OG 2.88Å; I47-A51 WeakPolarHBondContact O-CB 3.34Å; I47-A51 PolarHBondContact O-N 3.18Å
48	V	72.6	Confident	65.1	Low	103 Å²	103	83.1 Å²	83.1	62%	0.624	46%	0.46	S	S	*	.	H	α-helix	trans	-64.6	-45.7	178	170.8	0	0	0	0	111	A44 S45 S50 A51 A52	A44-V48 VanDerWaalsContact O-CG2 3.3Å; A44-V48 WeakPolarHBondContact O-CG2 3.28Å; A44-V48 PolarHBondContact O-N 2.92Å; S45-V48 PolarHBondContact O-N 2.89Å; V48-S50 VanDerWaalsContact C-N 3.28Å; V48-S50 PolarHBondContact O-N 2.02Å; V48-A51 PolarHBondContact O-N 2.04Å; V48-A52 PolarHBondContact O-N 3.43Å
49	H	70.7	Confident	63	Low	123 Å²	123	85.4 Å²	85.4	57%	0.569	47%	0.472	S	S	*	.	H	α-helix	trans	-65.2	-33.8	178.4	-72.8	91.6	0	0	0	112.5	S45 D46	S45-H49 PolarHBondContact O-N 2.85Å; S45-H49 PolarHBondContact O-ND1 2.64Å; S45-H49 PolarHBondContact OG-CE1 2.89Å; S45-H49 VanDerWaalsContact OG-CE1 3.24Å; S45-H49 PolarHBondContact OG-ND1 2.64Å; D46-H49 PolarHBondContact O-N 3.24Å
50	S	64.5	Low	61.1	Low	12 Å²	12	86.5 Å²	86.5	8%	0.084	48%	0.48	C	S	.	.	H	α-helix	trans	-75.9	-36.1	-177.5	84	0	0	0	0	111.6	D46 I47 V48 A52 N53 N194	D46-S50 WeakPolarHBondContact O-CB 3.45Å; D46-S50 PolarHBondContact O-N 2.92Å; D46-S50 PolarHBondContact O-OG 3.18Å; I47-S50 PolarHBondContact O-N 3.47Å; I47-S50 PolarHBondContact O-OG 2.88Å; V48-S50 VanDerWaalsContact C-N 3.28Å; V48-S50 PolarHBondContact O-N 2.02Å; S50-A52 VanDerWaalsContact C-N 3.33Å; S50-A52 PolarHBondContact O-N 2.92Å; S50-N53 PolarHBondContact O-N 2.95Å; S50-N194 WeakPolarHBondContact CA-ND2 3.35Å; S50-N194 WeakPolarHBondContact CB-ND2 3.41Å; S50-N194 PolarHBondContact O-ND2 3.08Å
51	A	64.5	Low	59.4	Low	54 Å²	54	93.5 Å²	93.5	45%	0.446	51%	0.505	S	S	.	.	H	α-helix	trans	-65.9	-31.8	175	0	0	0	0	0	113	I47 V48 N53	I47-A51 WeakPolarHBondContact O-CB 3.34Å; I47-A51 PolarHBondContact O-N 3.18Å; V48-A51 PolarHBondContact O-N 2.04Å; A51-N53 VanDerWaalsContact C-N 3.26Å; A51-N53 PolarHBondContact O-N 2.81Å
52	A	57.1	Low	58.5	Low	83 Å²	83	91 Å²	91	69%	0.686	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-19.7	179.4	0	0	0	0	0	114.3	V48 S50	V48-A52 PolarHBondContact O-N 3.43Å; S50-A52 VanDerWaalsContact C-N 3.33Å; S50-A52 PolarHBondContact O-N 2.92Å
53	N	52.4	Low	57.8	Low	113 Å²	113	85 Å²	85	60%	0.604	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.5	26.8	-172.1	-78.6	-47.7	0	0	0	114.4	S50 A51 G55	S50-N53 PolarHBondContact O-N 2.95Å; A51-N53 VanDerWaalsContact C-N 3.26Å; A51-N53 PolarHBondContact O-N 2.81Å; N53-G55 PolarHBondContact O-N 2.96Å
54	Y	51.3	Low	57.6	Low	141 Å²	141	84.7 Å²	84.7	55%	0.553	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-11.4	-169.1	-150.1	-100	0	0	0	115.7	N56	Y54-N56 PolarHBondContact O-N 3.11Å
55	G	48.7	Very low	57.5	Low	68 Å²	68	83.6 Å²	83.6	70%	0.701	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-16.6	-166.3	0	0	0	0	0	118.7	N53	N53-G55 PolarHBondContact O-N 2.96Å
56	N	41.9	Very low	57.3	Low	165 Å²	165	87 Å²	87	88%	0.882	45%	0.446	S	S	*	.	S	Bend	trans	-151.4	22.7	-164.6	-93.4	-32.6	0	0	0	118.4	Y54	Y54-N56 PolarHBondContact O-N 3.11Å
57	R	44.4	Very low	57.5	Low	171 Å²	171	85.6 Å²	85.6	65%	0.645	44%	0.441	S	S	*	.			trans	-114.8	133.4	-178.9	-72.4	-176.2	176.5	176.5	0.4	113.8	L59 D196	R57-L59 PolarHBondContact O-N 2.96Å; R57-D196 IonicContact NH1-OD2 3.89Å; R57-D196 PolarHBondContact NH1-OD2 2.94Å
58	K	42.8	Very low	57.8	Low	196 Å²	196	91.8 Å²	91.8	85%	0.852	47%	0.47	S	S	*	.			trans	-62.4	119	177.1	-152.2	176.4	-173	-179.5	0	109.3	V60	K58-V60 PolarHBondContact O-N 3.13Å
59	L	40.6	Very low	58.2	Low	105 Å²	105	94.7 Å²	94.7	55%	0.55	48%	0.477	S	S	.	.			trans	-63.1	124.6	176.9	-68.3	163.6	0	0	0	109.4	R57 P169	R57-L59 PolarHBondContact O-N 2.96Å; L59-P169 HydrophobicContact CD2-CB 4.15Å
60	V	37.7	Very low	59	Low	62 Å²	62	90.4 Å²	90.4	38%	0.376	46%	0.456	S	S	.	.			trans	-124.5	132.9	176.7	-174.8	0	0	0	0	108.4	K58 R62 P169	K58-V60 PolarHBondContact O-N 3.13Å; V60-R62 WeakPolarHBondContact O-CG 3.44Å; V60-R62 PolarHBondContact O-N 3.41Å; V60-P169 VanDerWaalsContact O-CB 3.3Å; V60-P169 WeakPolarHBondContact O-CB 3.27Å; V60-P169 VanDerWaalsContact O-CG 3.24Å; V60-P169 WeakPolarHBondContact O-CG 3.13Å
61	R	40	Very low	60.2	Low	154 Å²	154	92.5 Å²	92.5	58%	0.581	46%	0.462	S	S	*	.			trans	-57.2	114.5	-173.3	-48.9	-176.9	171.9	162.3	-5.9	114	D170 T200	R61-D170 HydrophobicContact CB-CB 4.4Å; R61-D170 WeakPolarHBondContact CB-OD2 3.41Å; R61-D170 WeakPolarHBondContact CD-OD2 3.32Å; R61-D170 HydrophobicContact CG-CB 3.95Å; R61-D170 VanDerWaalsContact CG-OD2 3.23Å; R61-D170 WeakPolarHBondContact CG-OD2 3.45Å; R61-D170 IonicContact NE-OD2 2.67Å; R61-T200 HydrophobicContact CB-CG2 3.97Å; R61-T200 WeakPolarHBondContact O-CB 3.29Å; R61-T200 VanDerWaalsContact O-CG2 3.28Å; R61-T200 WeakPolarHBondContact O-CG2 3.47Å; R61-T200 PolarHBondContact O-OG1 3.42Å
62	R	57.9	Low	61.6	Low	44 Å²	44	90.3 Å²	90.3	17%	0.166	44%	0.442	C	S	.	.			trans	-153.8	130.1	-170.2	-65.7	176.9	-173.5	-177.7	20.7	114.9	V60 P169 S195 V198 T200	V60-R62 WeakPolarHBondContact O-CG 3.44Å; V60-R62 PolarHBondContact O-N 3.41Å; R62-P169 HydrophobicContact CB-CG 4.1Å; R62-P169 WeakPolarHBondContact O-CD 3.36Å; R62-S195 VanDerWaalsContact CD-CA 3.43Å; R62-S195 WeakPolarHBondContact CD-O 3.28Å; R62-S195 PolarHBondContact NH1-O 3.07Å; R62-S195 PolarHBondContact NH1-OG 2.98Å; R62-S195 VanDerWaalsContact NH1-OG 3.13Å; R62-V198 VanDerWaalsContact CB-C 3.44Å; R62-V198 HydrophobicContact CB-CB 3.62Å; R62-V198 HydrophobicContact CB-CG2 3.45Å; R62-V198 VanDerWaalsContact CB-CG2 3.45Å; R62-V198 WeakPolarHBondContact CB-O 3.1Å; R62-V198 WeakPolarHBondContact CD-O 3.47Å; R62-V198 VanDerWaalsContact CG-O 3.31Å; R62-V198 WeakPolarHBondContact CG-O 3.43Å; R62-T200 VanDerWaalsContact CA-CG2 3.45Å
63	S	58.9	Low	63.2	Low	3 Å²	3	89.4 Å²	89.4	2%	0.021	43%	0.429	C	S	.	.			trans	-137.3	-21.4	-174	56.3	0	0	0	0	118.3	W163 T199 I251	S63-W163 WeakPolarHBondContact O-CB 3.26Å; S63-W163 PolarHBondContact O-N 2.99Å; S63-T199 VanDerWaalsContact N-C 3.35Å; S63-T199 PolarHBondContact N-O 2.88Å; S63-I251 WeakPolarHBondContact OG-CD1 3.47Å
64	L	71	Confident	65.1	Low	3 Å²	3	91.1 Å²	91.1	2%	0.016	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	143.2	178.1	179.6	82.6	0	0	0	111.1	R66 G161 L162 V198 T199 I251 I252 A255	L64-R66 PolarHBondContact O-N 3.13Å; L64-R66 VanDerWaalsContact O-N 3.17Å; L64-G161 CarbonylContact C-O 3.47Å; L64-G161 WeakPolarHBondContact CA-O 3.27Å; L64-G161 WeakPolarHBondContact CD1-O 3.01Å; L64-L162 HydrophobicContact CD1-CD2 3.99Å; L64-V198 CarbonylContact O-C 3.53Å; L64-V198 VanDerWaalsContact O-C 3.28Å; L64-V198 WeakPolarHBondContact O-CA 3.44Å; L64-V198 WeakPolarHBondContact O-CG1 3.36Å; L64-T199 HydrophobicContact CB-CG2 4.09Å; L64-T199 WeakPolarHBondContact CB-O 3.37Å; L64-T199 HydrophobicContact CD2-CG2 4.12Å; L64-T199 PolarHBondContact N-O 3.18Å; L64-T199 PolarHBondContact O-N 2.92Å; L64-I251 HydrophobicContact CB-CG2 3.74Å; L64-I251 HydrophobicContact CD1-CG2 4.01Å; L64-I251 HydrophobicContact CD2-CG2 4.37Å; L64-I251 HydrophobicContact CG-CG2 4.26Å; L64-I252 HydrophobicContact CD1-CD1 3.91Å; L64-A255 HydrophobicContact CD2-CB 3.43Å; L64-A255 VanDerWaalsContact CD2-CB 3.43Å
65	E	75.2	Confident	67.1	Low	15 Å²	15	87 Å²	87	7%	0.07	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-46.1	119.8	169.4	174.9	54.9	-108.8	0	0	111.6	S67 R70 V131 G161	E65-S67 PolarHBondContact OE1-N 3.11Å; E65-R70 HydrophobicContact CG-CB 3.79Å; E65-R70 HydrophobicContact CG-CG 4.31Å; E65-R70 IonicContact OE1-NH1 3.89Å; E65-R70 IonicContact OE2-CZ 3.72Å; E65-R70 IonicContact OE2-NH1 2.69Å; E65-R70 PolarHBondContact OE2-NH1 2.91Å; E65-V131 HydrophobicContact CB-CG1 4.22Å; E65-G161 PolarHBondContact N-O 2.67Å
66	R	69.4	Low	69.3	Low	124 Å²	124	85.1 Å²	85.1	47%	0.468	40%	0.397	S	S	.	.			trans	-76.1	-29.9	-170.3	-169.2	-179	-179	-169.8	-3	112.4	L64 Q68 D196 Q197	L64-R66 PolarHBondContact O-N 3.13Å; L64-R66 VanDerWaalsContact O-N 3.17Å; R66-Q68 PolarHBondContact O-N 3.49Å; R66-D196 WeakPolarHBondContact CD-O 3.06Å; R66-D196 PolarHBondContact NH1-O 2.85Å; R66-Q197 WeakPolarHBondContact CB-O 3.4Å; R66-Q197 PolarHBondContact N-O 3.38Å; R66-Q197 VanDerWaalsContact N-O 3.08Å
67	S	74.6	Confident	71.9	Confident	42 Å²	42	77.4 Å²	77.4	29%	0.294	36%	0.356	S	S	.	.			trans	-66.9	118.4	-178.1	-177.4	0	0	0	0	111.1	E65 E69 R70	E65-S67 PolarHBondContact OE1-N 3.11Å; S67-E69 PolarHBondContact O-N 3.12Å; S67-E69 PolarHBondContact OG-N 2.84Å; S67-R70 PolarHBondContact O-N 3.09Å
68	Q	78.3	Confident	74.3	Confident	147 Å²	147	73.6 Å²	73.6	69%	0.687	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-65.4	-25	175.6	-65.4	-173.5	14.4	0	0	112.2	R66 R70 R71	R66-Q68 PolarHBondContact O-N 3.49Å; Q68-R70 PolarHBondContact O-N 3.07Å; Q68-R71 VanDerWaalsContact O-CB 3.28Å; Q68-R71 WeakPolarHBondContact O-CB 3.48Å; Q68-R71 PolarHBondContact O-N 3.38Å
69	E	80.8	Confident	76.9	Confident	163 Å²	163	65.4 Å²	65.4	76%	0.762	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-69.3	-21.9	177.5	-60.6	-179.9	174.5	0	0	112.7	S67	S67-E69 PolarHBondContact O-N 3.12Å; S67-E69 PolarHBondContact OG-N 2.84Å
70	R	86.5	Confident	79.5	Confident	34 Å²	34	62.7 Å²	62.7	13%	0.128	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-87.1	8.8	172.8	-64.1	-166.3	177.4	152.4	1.5	113	E65 S67 Q68 R133	E65-R70 HydrophobicContact CG-CB 3.79Å; E65-R70 HydrophobicContact CG-CG 4.31Å; E65-R70 IonicContact OE1-NH1 3.89Å; E65-R70 IonicContact OE2-CZ 3.72Å; E65-R70 IonicContact OE2-NH1 2.69Å; E65-R70 PolarHBondContact OE2-NH1 2.91Å; S67-R70 PolarHBondContact O-N 3.09Å; Q68-R70 PolarHBondContact O-N 3.07Å; R70-R133 WeakPolarHBondContact O-CB 3.5Å; R70-R133 PolarHBondContact O-N 2.95Å
71	R	90.7	Very high	82.2	Confident	56 Å²	56	62 Å²	62	21%	0.211	28%	0.282	C	S	.	.	S	Bend	trans	-85	146.6	168.5	-64.8	-178.7	-176.6	179.6	-2.2	110	Q68 A255 Y256	Q68-R71 VanDerWaalsContact O-CB 3.28Å; Q68-R71 WeakPolarHBondContact O-CB 3.48Å; Q68-R71 PolarHBondContact O-N 3.38Å; R71-A255 PolarHBondContact NH1-O 3.35Å; R71-Y256 VanDerWaalsContact CA-OH 3.31Å; R71-Y256 WeakPolarHBondContact CA-OH 3.13Å; R71-Y256 HydrophobicContact CB-CE1 3.61Å; R71-Y256 HydrophobicContact CG-CE1 4.11Å; R71-Y256 HydrophobicContact CG-CE2 4.49Å
72	W	93.2	Very high	84.8	Confident	7 Å²	7	58.5 Å²	58.5	3%	0.027	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-64.3	122.2	174.2	-69.4	95.2	0	0	0	111.5	R75 V77 V119 R133 A159 Y256	W72-R75 PolarHBondContact O-N 2.85Å; W72-V77 HydrophobicContact CB-CG2 4.01Å; W72-V77 HydrophobicContact CD2-CB 4.42Å; W72-V77 HydrophobicContact CD2-CG1 4.23Å; W72-V77 HydrophobicContact CD2-CG2 3.9Å; W72-V77 HydrophobicContact CE3-CG1 4.41Å; W72-V77 HydrophobicContact CG-CG2 3.64Å; W72-V77 HydrophobicContact CH2-CG1 4.49Å; W72-V77 HydrophobicContact CZ2-CG1 4.29Å; W72-V119 HydrophobicContact CH2-CG2 3.73Å; W72-V119 HydrophobicContact CZ2-CG2 3.71Å; W72-R133 HydrophobicContact CD2-CB 4.01Å; W72-R133 HydrophobicContact CD2-CG 3.92Å; W72-R133 HydrophobicContact CE3-CB 4.42Å; W72-R133 HydrophobicContact CE3-CG 3.81Å; W72-R133 HydrophobicContact CG-CB 4.32Å; W72-R133 HydrophobicContact CH2-CG 4.02Å; W72-R133 HydrophobicContact CZ2-CB 4.28Å; W72-R133 HydrophobicContact CZ2-CG 4.13Å; W72-R133 HydrophobicContact CZ3-CG 3.86Å; W72-A159 PolarHBondContact NE1-O 3.33Å; W72-Y256 HydrophobicContact CB-CE1 4.31Å; W72-Y256 PolarHBondContact N-OH 3.23Å
73	P	91.6	Very high	86.6	Confident	64 Å²	64	61.9 Å²	61.9	42%	0.416	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-66.5	148.9	-175.9	28.2	-35.6	0	0	0	110.8	R75 T76 R133	P73-R75 PolarHBondContact O-N 2.84Å; P73-T76 PolarHBondContact O-N 3.42Å; P73-R133 VanDerWaalsContact CD-CD 3.44Å
74	N	90.6	Very high	88.3	Confident	149 Å²	149	63.8 Å²	63.8	80%	0.797	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	54	16.3	-178.2	-55.6	-37.7	0	0	0	114.6	T76	N74-T76 PolarHBondContact O-N 3Å; N74-T76 PolarHBondContact O-OG1 3.05Å
75	R	93.7	Very high	89.4	Confident	54 Å²	54	64 Å²	64	20%	0.204	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	59.7	24.6	-174.2	-55.1	158.1	-148.1	-150.4	3.6	112.3	W72 P73 L106 D107 Y256 D259	W72-R75 PolarHBondContact O-N 2.85Å; P73-R75 PolarHBondContact O-N 2.84Å; R75-L106 HydrophobicContact CB-CD2 3.88Å; R75-L106 HydrophobicContact CG-CD2 4.45Å; R75-L106 CarbonylContact O-C 3.56Å; R75-L106 VanDerWaalsContact O-CA 3.3Å; R75-L106 WeakPolarHBondContact O-CA 3.44Å; R75-D107 PolarHBondContact O-N 3.13Å; R75-Y256 PolarHBondContact NH1-O 3.41Å; R75-D259 IonicContact CZ-OD1 3.36Å; R75-D259 IonicContact CZ-OD2 3.93Å; R75-D259 IonicContact NH1-OD1 3.44Å; R75-D259 PolarHBondContact NH1-OD1 3.37Å; R75-D259 IonicContact NH1-OD2 2.67Å; R75-D259 IonicContact NH2-OD1 3.86Å; R75-D259 PolarHBondContact NH2-OD1 3.43Å; R75-D259 IonicContact NH2-OD2 3.6Å; R75-D259 PolarHBondContact NH2-OD2 2.95Å
76	T	95.1	Very high	90.2	Very high	30 Å²	30	65.8 Å²	65.8	18%	0.184	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	125	-178.9	-55.5	0	0	0	0	110.1	P73 N74 R78 D107 I109	P73-T76 PolarHBondContact O-N 3.42Å; N74-T76 PolarHBondContact O-N 3Å; N74-T76 PolarHBondContact O-OG1 3.05Å; T76-R78 HydrophobicContact CG2-CG 4.37Å; T76-D107 CarbonylContact C-O 3.23Å; T76-D107 VanDerWaalsContact CA-O 3.3Å; T76-D107 WeakPolarHBondContact CA-O 3.2Å; T76-I109 HydrophobicContact CG2-CD1 3.63Å; T76-I109 HydrophobicContact CG2-CG1 4.03Å
77	V	96	Very high	91.1	Very high	3 Å²	3	63.6 Å²	63.6	2%	0.018	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	111.5	170.1	-173.4	0	0	0	0	107.9	W72 D107 F108 I109 V119 L160	W72-V77 HydrophobicContact CB-CG2 4.01Å; W72-V77 HydrophobicContact CD2-CB 4.42Å; W72-V77 HydrophobicContact CD2-CG1 4.23Å; W72-V77 HydrophobicContact CD2-CG2 3.9Å; W72-V77 HydrophobicContact CE3-CG1 4.41Å; W72-V77 HydrophobicContact CG-CG2 3.64Å; W72-V77 HydrophobicContact CH2-CG1 4.49Å; W72-V77 HydrophobicContact CZ2-CG1 4.29Å; V77-D107 PolarHBondContact N-O 2.05Å; V77-F108 HydrophobicContact CB-CD1 3.65Å; V77-F108 HydrophobicContact CB-CE1 3.75Å; V77-F108 HydrophobicContact CB-CG 4.15Å; V77-F108 HydrophobicContact CB-CZ 4.32Å; V77-F108 HydrophobicContact CG1-CD1 3.85Å; V77-F108 HydrophobicContact CG1-CE1 3.76Å; V77-F108 HydrophobicContact CG2-CD1 4.35Å; V77-F108 HydrophobicContact CG2-CE1 4.03Å; V77-F108 HydrophobicContact CG2-CZ 4.13Å; V77-F108 VanDerWaalsContact O-CA 3.27Å; V77-F108 WeakPolarHBondContact O-CA 3.37Å; V77-I109 PolarHBondContact O-N 2.58Å; V77-V119 HydrophobicContact CG1-CG2 4.01Å; V77-L160 HydrophobicContact CG2-CD2 3.97Å
78	R	96.2	Very high	91.4	Very high	90 Å²	90	66.2 Å²	66.2	34%	0.34	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	140.4	173.8	-75.3	-177.3	-170.8	-80.9	-4.5	109.6	T76 I109 D111 H118 V119	T76-R78 HydrophobicContact CG2-CG 4.37Å; R78-I109 VanDerWaalsContact CA-O 3.3Å; R78-I109 WeakPolarHBondContact CA-O 3.27Å; R78-D111 HydrophobicContact CB-CB 4.17Å; R78-H118 HydrophobicContact CB-CB 3.68Å; R78-H118 WeakPolarHBondContact O-CA 2.99Å; R78-V119 PolarHBondContact O-N 3.5Å
79	Y	96.3	Very high	91.9	Very high	25 Å²	25	60.7 Å²	60.7	10%	0.098	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	153	179.1	73.2	-86.2	0	0	0	114	F81 I97 F108 I109 P110 D111 V119 F121	Y79-F81 HydrophobicContact CD2-CE2 4.14Å; Y79-F81 HydrophobicContact CD2-CZ 4.12Å; Y79-F81 AromaticContact CE2-CE2 3.66Å; Y79-F81 HydrophobicContact CE2-CE2 3.66Å; Y79-F81 AromaticContact CE2-CZ 3.8Å; Y79-F81 HydrophobicContact CE2-CZ 3.8Å; Y79-I97 HydrophobicContact CD1-CD1 4.09Å; Y79-I97 HydrophobicContact CD2-CD1 3.82Å; Y79-I97 HydrophobicContact CE1-CD1 4.07Å; Y79-I97 HydrophobicContact CE1-CG2 4.39Å; Y79-I97 HydrophobicContact CE2-CD1 3.81Å; Y79-I97 HydrophobicContact CG-CD1 3.96Å; Y79-F108 HydrophobicContact CD1-CB 4.16Å; Y79-F108 HydrophobicContact CE1-CB 4.11Å; Y79-I109 WeakPolarHBondContact CD1-O 3.34Å; Y79-I109 PolarHBondContact N-O 3.03Å; Y79-P110 HydrophobicContact CE1-CG 4.16Å; Y79-P110 CarbonylContact O-C 3.6Å; Y79-P110 WeakPolarHBondContact O-CA 3.43Å; Y79-D111 PolarHBondContact O-N 2.92Å; Y79-V119 CarbonylContact C-O 3.44Å; Y79-V119 WeakPolarHBondContact CA-O 3.26Å; Y79-F121 HydrophobicContact CD2-CE2 4.41Å; Y79-F121 HydrophobicContact CG-CE2 4.46Å
80	Q	94.9	Very high	92.5	Very high	48 Å²	48	55.6 Å²	55.6	22%	0.224	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	161.1	172.3	-60.8	-172.4	13.6	0	0	110.4	D111 V119 L120 F121	Q80-D111 HydrophobicContact CG-CB 3.72Å; Q80-D111 PolarHBondContact NE2-O 3.48Å; Q80-D111 PolarHBondContact NE2-OD2 3.12Å; Q80-V119 PolarHBondContact N-O 3.08Å; Q80-L120 HydrophobicContact CB-CD1 3.68Å; Q80-F121 PolarHBondContact O-N 3.13Å
81	F	95.1	Very high	92.8	Very high	46 Å²	46	58 Å²	58	20%	0.202	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	127.7	170.1	-61.4	-71	0	0	0	109.6	Y79 E90 I93 M94 F121	Y79-F81 HydrophobicContact CD2-CE2 4.14Å; Y79-F81 HydrophobicContact CD2-CZ 4.12Å; Y79-F81 AromaticContact CE2-CE2 3.66Å; Y79-F81 HydrophobicContact CE2-CE2 3.66Å; Y79-F81 AromaticContact CE2-CZ 3.8Å; Y79-F81 HydrophobicContact CE2-CZ 3.8Å; F81-E90 HydrophobicContact CB-CG 4.26Å; F81-E90 HydrophobicContact CD1-CB 4.5Å; F81-E90 HydrophobicContact CD1-CG 3.92Å; F81-E90 HydrophobicContact CD2-CB 4.41Å; F81-E90 HydrophobicContact CD2-CG 3.97Å; F81-E90 HydrophobicContact CE1-CB 4.34Å; F81-E90 HydrophobicContact CE1-CG 4.25Å; F81-E90 HydrophobicContact CE2-CB 4.22Å; F81-E90 HydrophobicContact CE2-CG 4.27Å; F81-E90 HydrophobicContact CG-CG 3.79Å; F81-E90 HydrophobicContact CZ-CB 4.2Å; F81-E90 HydrophobicContact CZ-CG 4.42Å; F81-I93 HydrophobicContact CD1-CD1 4.34Å; F81-I93 HydrophobicContact CE1-CB 3.85Å; F81-I93 HydrophobicContact CE1-CD1 3.93Å; F81-I93 HydrophobicContact CE1-CG2 3.66Å; F81-I93 HydrophobicContact CZ-CB 4.33Å; F81-I93 HydrophobicContact CZ-CG2 4.16Å; F81-M94 HydrophobicContact CE2-CG 4.24Å; F81-M94 HydrophobicContact CZ-CG 3.96Å; F81-F121 HydrophobicContact CD1-CB 3.85Å; F81-F121 HydrophobicContact CD1-CD2 4.31Å; F81-F121 HydrophobicContact CD1-CG 4.37Å; F81-F121 HydrophobicContact CE1-CB 4.21Å; F81-F121 HydrophobicContact CE1-CD2 4.04Å; F81-F121 HydrophobicContact CE1-CG 4.26Å
82	H	95.1	Very high	92.9	Very high	82 Å²	82	57.2 Å²	57.2	38%	0.38	32%	0.322	S	S	.	.			trans	-73.2	150.2	168.4	-175	-99.1	0	0	0	109.7	S84 I85 L120 F121 F122	H82-S84 WeakPolarHBondContact ND1-CB 3.01Å; H82-S84 PolarHBondContact ND1-N 3.25Å; H82-S84 VanDerWaalsContact ND1-N 3.18Å; H82-S84 PolarHBondContact ND1-OG 2.87Å; H82-S84 PolarHBondContact O-N 3.05Å; H82-I85 PolarHBondContact O-N 3.08Å; H82-L120 HydrophobicContact CB-CD1 4.01Å; H82-L120 HydrophobicContact CB-CD2 4.24Å; H82-L120 HydrophobicContact CB-CG 4.13Å; H82-F121 WeakPolarHBondContact CB-O 3.37Å; H82-F121 PolarHBondContact N-O 2.9Å; H82-F122 HydrophobicContact CB-CB 3.67Å
83	S	94.5	Very high	93.1	Very high	114 Å²	114	57 Å²	57	80%	0.797	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-5.8	-178.5	63.8	0	0	0	0	114.9
84	S	95.7	Very high	93.3	Very high	43 Å²	43	56.9 Å²	56.9	30%	0.301	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-10.6	174.3	62.7	0	0	0	0	113.8	H82 P86 R123	H82-S84 WeakPolarHBondContact ND1-CB 3.01Å; H82-S84 PolarHBondContact ND1-N 3.25Å; H82-S84 VanDerWaalsContact ND1-N 3.18Å; H82-S84 PolarHBondContact ND1-OG 2.87Å; H82-S84 PolarHBondContact O-N 3.05Å; S84-P86 WeakPolarHBondContact O-CD 3.34Å; S84-R123 PolarHBondContact OG-N 2.93Å
85	I	94.7	Very high	93.5	Very high	7 Å²	7	53.8 Å²	53.8	4%	0.036	30%	0.296	C	S	.	.	S	Bend	trans	-87.7	121.2	170.4	-57.6	-63.1	0	0	0	108.7	H82 E89 E90 I93 R123 I142	H82-I85 PolarHBondContact O-N 3.08Å; I85-E89 HydrophobicContact CG2-CB 4.16Å; I85-E90 HydrophobicContact CG2-CG 3.8Å; I85-I93 HydrophobicContact CG2-CD1 4.02Å; I85-R123 HydrophobicContact CD1-CB 4.4Å; I85-I142 HydrophobicContact CD1-CB 4.33Å
86	P	90.9	Very high	93.7	Very high	54 Å²	54	51.2 Å²	51.2	35%	0.351	29%	0.287	S	S	.	.			trans	-67.3	147.3	172.8	-21	34.1	0	0	0	112	S84 S88 E89 E90	S84-P86 WeakPolarHBondContact O-CD 3.34Å; P86-S88 PolarHBondContact O-N 3.31Å; P86-S88 VanDerWaalsContact O-N 3.1Å; P86-E89 WeakPolarHBondContact CD-OE1 3.48Å; P86-E89 WeakPolarHBondContact CG-OE1 3.11Å; P86-E89 PolarHBondContact O-N 3.3Å; P86-E90 PolarHBondContact O-N 2.77Å; P86-E90 VanDerWaalsContact O-N 3.13Å
87	A	88.9	Confident	93.8	Very high	77 Å²	77	50 Å²	50	64%	0.636	28%	0.279	S	S	*	.	H	α-helix	trans	-56.5	-30.7	-179.4	0	0	0	0	0	114.2	E89 E90	A87-E89 PolarHBondContact O-N 3.31Å; A87-E90 PolarHBondContact O-N 2.91Å
88	S	81.5	Confident	93.9	Very high	97 Å²	97	54.6 Å²	54.6	68%	0.678	30%	0.3	S	S	*	.	H	α-helix	trans	-62.6	-31.8	175.3	49.1	0	0	0	0	112.8	P86	P86-S88 PolarHBondContact O-N 3.31Å; P86-S88 VanDerWaalsContact O-N 3.1Å
89	E	87.3	Confident	94	Very high	31 Å²	31	52.2 Å²	52.2	15%	0.145	29%	0.292	C	S	.	.	H	α-helix	trans	-91.9	-26.9	-177.6	-62.6	176.6	-132	0	0	112.3	I85 P86 A87 N91 L92 I93 R123 E147	I85-E89 HydrophobicContact CG2-CB 4.16Å; P86-E89 WeakPolarHBondContact CD-OE1 3.48Å; P86-E89 WeakPolarHBondContact CG-OE1 3.11Å; P86-E89 PolarHBondContact O-N 3.3Å; A87-E89 PolarHBondContact O-N 3.31Å; E89-N91 PolarHBondContact O-N 3.4Å; E89-L92 PolarHBondContact O-N 3.25Å; E89-I93 WeakPolarHBondContact O-CG1 3.3Å; E89-I93 PolarHBondContact O-N 2.87Å; E89-R123 IonicContact OE1-CZ 3.54Å; E89-R123 IonicContact OE1-NH1 2.76Å; E89-R123 PolarHBondContact OE1-NH1 2.61Å; E89-R123 IonicContact OE1-NH2 3.69Å; E89-R123 IonicContact OE2-CZ 3.87Å; E89-R123 IonicContact OE2-NH1 3.87Å; E89-R123 PolarHBondContact OE2-NH1 3.18Å; E89-R123 IonicContact OE2-NH2 2.98Å; E89-R123 PolarHBondContact OE2-NH2 2.76Å; E89-E147 HydrophobicContact CG-CG 4.14Å; E89-E147 WeakPolarHBondContact OE2-CG 3.24Å
90	E	94.1	Very high	94.1	Very high	57 Å²	57	51 Å²	51	27%	0.266	29%	0.288	S	S	.	.	H	α-helix	trans	-52.6	-38.7	166.8	-66.2	-172.7	-164.1	0	0	110.9	F81 I85 P86 A87 L92 I93 M94	F81-E90 HydrophobicContact CB-CG 4.26Å; F81-E90 HydrophobicContact CD1-CB 4.5Å; F81-E90 HydrophobicContact CD1-CG 3.92Å; F81-E90 HydrophobicContact CD2-CB 4.41Å; F81-E90 HydrophobicContact CD2-CG 3.97Å; F81-E90 HydrophobicContact CE1-CB 4.34Å; F81-E90 HydrophobicContact CE1-CG 4.25Å; F81-E90 HydrophobicContact CE2-CB 4.22Å; F81-E90 HydrophobicContact CE2-CG 4.27Å; F81-E90 HydrophobicContact CG-CG 3.79Å; F81-E90 HydrophobicContact CZ-CB 4.2Å; F81-E90 HydrophobicContact CZ-CG 4.42Å; I85-E90 HydrophobicContact CG2-CG 3.8Å; P86-E90 PolarHBondContact O-N 2.77Å; P86-E90 VanDerWaalsContact O-N 3.13Å; A87-E90 PolarHBondContact O-N 2.91Å; E90-L92 PolarHBondContact O-N 3.39Å; E90-I93 PolarHBondContact O-N 2.96Å; E90-M94 WeakPolarHBondContact O-CB 3.26Å; E90-M94 VanDerWaalsContact O-CG 3.24Å; E90-M94 WeakPolarHBondContact O-CG 3.35Å; E90-M94 PolarHBondContact O-N 3.41Å
91	N	92.6	Very high	94.2	Very high	84 Å²	84	51.4 Å²	51.4	45%	0.449	29%	0.289	S	S	.	.	H	α-helix	trans	-61.6	-41.7	177.7	-172.1	33.6	0	0	0	112.8	E89 M94 Q95	E89-N91 PolarHBondContact O-N 3.4Å; N91-M94 HydrophobicContact CB-CE 4.44Å; N91-M94 PolarHBondContact O-N 2.94Å; N91-Q95 PolarHBondContact ND2-NE2 3.3Å; N91-Q95 WeakPolarHBondContact O-CG 3.46Å; N91-Q95 PolarHBondContact O-N 2.88Å; N91-Q95 PolarHBondContact O-NE2 3.47Å
92	L	93.3	Very high	94.3	Very high	40 Å²	40	54.2 Å²	54.2	21%	0.209	30%	0.303	C	S	.	.	H	α-helix	trans	-71.1	-37.8	178.1	-173.9	64	0	0	0	111.7	E89 E90 M94 Q95 S96 E147 F149 I152	E89-L92 PolarHBondContact O-N 3.25Å; E90-L92 PolarHBondContact O-N 3.39Å; L92-M94 VanDerWaalsContact C-N 3.33Å; L92-Q95 PolarHBondContact O-N 2.86Å; L92-S96 PolarHBondContact O-N 3.32Å; L92-S96 PolarHBondContact O-OG 2.81Å; L92-E147 VanDerWaalsContact CD2-C 3.44Å; L92-E147 WeakPolarHBondContact CD2-O 3.28Å; L92-F149 HydrophobicContact CD1-CB 4.22Å; L92-I152 HydrophobicContact CB-CD1 4.27Å; L92-I152 HydrophobicContact CD2-CD1 3.62Å; L92-I152 HydrophobicContact CG-CD1 3.65Å
93	I	96.4	Very high	94.4	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.005	29%	0.293	C	S	.	.	H	α-helix	trans	-64	-41.7	173	-60.7	166.4	0	0	0	110.4	F81 I85 E89 E90 Q95 S96 I97 F121 I142 I152	F81-I93 HydrophobicContact CD1-CD1 4.34Å; F81-I93 HydrophobicContact CE1-CB 3.85Å; F81-I93 HydrophobicContact CE1-CD1 3.93Å; F81-I93 HydrophobicContact CE1-CG2 3.66Å; F81-I93 HydrophobicContact CZ-CB 4.33Å; F81-I93 HydrophobicContact CZ-CG2 4.16Å; I85-I93 HydrophobicContact CG2-CD1 4.02Å; E89-I93 WeakPolarHBondContact O-CG1 3.3Å; E89-I93 PolarHBondContact O-N 2.87Å; E90-I93 PolarHBondContact O-N 2.96Å; I93-Q95 PolarHBondContact O-N 2.84Å; I93-S96 WeakPolarHBondContact O-CB 3.49Å; I93-S96 PolarHBondContact O-N 3.33Å; I93-I97 HydrophobicContact CG2-CD1 4Å; I93-I97 HydrophobicContact CG2-CG1 4.42Å; I93-I97 WeakPolarHBondContact O-CB 3.37Å; I93-I97 WeakPolarHBondContact O-CG1 3.34Å; I93-I97 PolarHBondContact O-N 2.85Å; I93-F121 HydrophobicContact CD1-CB 4.26Å; I93-F121 HydrophobicContact CD1-CD1 4.27Å; I93-F121 HydrophobicContact CD1-CG 4.37Å; I93-F121 HydrophobicContact CG2-CD1 3.8Å; I93-F121 HydrophobicContact CG2-CD2 4.05Å; I93-F121 HydrophobicContact CG2-CE1 3.66Å; I93-F121 HydrophobicContact CG2-CE2 3.93Å; I93-F121 HydrophobicContact CG2-CG 3.99Å; I93-F121 HydrophobicContact CG2-CZ 3.72Å; I93-I142 HydrophobicContact CD1-CG1 4.11Å; I93-I142 HydrophobicContact CG1-CG1 4.49Å; I93-I152 HydrophobicContact CB-CG2 4.37Å; I93-I152 HydrophobicContact CG1-CD1 4.02Å; I93-I152 HydrophobicContact CG1-CG1 4.47Å; I93-I152 HydrophobicContact CG1-CG2 4.1Å; I93-I152 HydrophobicContact CG2-CG2 4.22Å
94	M	96.5	Very high	94.6	Very high	62 Å²	62	46.3 Å²	46.3	31%	0.305	26%	0.255	S	S	.	.	H	α-helix	trans	-62	-40.6	174.9	-75.9	-170.5	-65	0	0	112.2	F81 E90 N91 L92 S96 I97 Q98	F81-M94 HydrophobicContact CE2-CG 4.24Å; F81-M94 HydrophobicContact CZ-CG 3.96Å; E90-M94 WeakPolarHBondContact O-CB 3.26Å; E90-M94 VanDerWaalsContact O-CG 3.24Å; E90-M94 WeakPolarHBondContact O-CG 3.35Å; E90-M94 PolarHBondContact O-N 3.41Å; N91-M94 HydrophobicContact CB-CE 4.44Å; N91-M94 PolarHBondContact O-N 2.94Å; L92-M94 VanDerWaalsContact C-N 3.33Å; M94-S96 VanDerWaalsContact C-N 3.33Å; M94-I97 PolarHBondContact O-N 2.82Å; M94-Q98 WeakPolarHBondContact O-CB 3.28Å; M94-Q98 VanDerWaalsContact O-CG 3.24Å; M94-Q98 WeakPolarHBondContact O-CG 3.28Å; M94-Q98 PolarHBondContact O-N 3.32Å
95	Q	95.7	Very high	94.6	Very high	85 Å²	85	44.2 Å²	44.2	40%	0.397	24%	0.24	S	C	.	.	H	α-helix	trans	-62.3	-41.5	173.3	-73.5	171.1	61.3	0	0	111.7	N91 L92 I93 Q98 F99	N91-Q95 PolarHBondContact ND2-NE2 3.3Å; N91-Q95 WeakPolarHBondContact O-CG 3.46Å; N91-Q95 PolarHBondContact O-N 2.88Å; N91-Q95 PolarHBondContact O-NE2 3.47Å; L92-Q95 PolarHBondContact O-N 2.86Å; I93-Q95 PolarHBondContact O-N 2.84Å; Q95-Q98 WeakPolarHBondContact O-CB 3.19Å; Q95-Q98 PolarHBondContact O-N 2.78Å; Q95-F99 PolarHBondContact O-N 2.67Å
96	S	97.1	Very high	94.8	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-63.9	-41.1	176.5	-56.5	0	0	0	0	112.1	L92 I93 M94 F99 W100	L92-S96 PolarHBondContact O-N 3.32Å; L92-S96 PolarHBondContact O-OG 2.81Å; I93-S96 WeakPolarHBondContact O-CB 3.49Å; I93-S96 PolarHBondContact O-N 3.33Å; M94-S96 VanDerWaalsContact C-N 3.33Å; S96-F99 PolarHBondContact O-N 2.8Å; S96-W100 PolarHBondContact O-N 2.89Å
97	I	97.8	Very high	95.1	Very high	3 Å²	3	43.5 Å²	43.5	2%	0.015	23%	0.234	C	C	.	.	H	α-helix	trans	-62.2	-45.7	171.6	-74.5	169.6	0	0	0	110.8	Y79 I93 M94 F99 W100 Q101 F108 F121 I156	Y79-I97 HydrophobicContact CD1-CD1 4.09Å; Y79-I97 HydrophobicContact CD2-CD1 3.82Å; Y79-I97 HydrophobicContact CE1-CD1 4.07Å; Y79-I97 HydrophobicContact CE1-CG2 4.39Å; Y79-I97 HydrophobicContact CE2-CD1 3.81Å; Y79-I97 HydrophobicContact CG-CD1 3.96Å; I93-I97 HydrophobicContact CG2-CD1 4Å; I93-I97 HydrophobicContact CG2-CG1 4.42Å; I93-I97 WeakPolarHBondContact O-CB 3.37Å; I93-I97 WeakPolarHBondContact O-CG1 3.34Å; I93-I97 PolarHBondContact O-N 2.85Å; M94-I97 PolarHBondContact O-N 2.82Å; I97-F99 VanDerWaalsContact C-N 3.29Å; I97-F99 PolarHBondContact O-N 2.99Å; I97-W100 PolarHBondContact O-N 3.15Å; I97-Q101 WeakPolarHBondContact O-CB 3.44Å; I97-Q101 PolarHBondContact O-N 3.39Å; I97-F108 HydrophobicContact CG1-CD1 4.23Å; I97-F108 HydrophobicContact CG2-CB 3.28Å; I97-F108 HydrophobicContact CG2-CD1 3.86Å; I97-F108 HydrophobicContact CG2-CD2 4.2Å; I97-F108 HydrophobicContact CG2-CG 3.55Å; I97-F121 HydrophobicContact CD1-CE2 3.89Å; I97-F121 HydrophobicContact CD1-CZ 4.18Å; I97-F121 HydrophobicContact CG1-CZ 4.45Å; I97-I156 HydrophobicContact CG1-CD1 3.88Å
98	Q	97.6	Very high	95.5	Very high	101 Å²	101	40.5 Å²	40.5	47%	0.472	21%	0.206	S	C	.	.	H	α-helix	trans	-62.3	-37	179.5	-77.9	175.7	10.2	0	0	111.7	M94 Q95 Q101 Q102	M94-Q98 WeakPolarHBondContact O-CB 3.28Å; M94-Q98 VanDerWaalsContact O-CG 3.24Å; M94-Q98 WeakPolarHBondContact O-CG 3.28Å; M94-Q98 PolarHBondContact O-N 3.32Å; Q95-Q98 WeakPolarHBondContact O-CB 3.19Å; Q95-Q98 PolarHBondContact O-N 2.78Å; Q98-Q101 PolarHBondContact O-N 3.39Å; Q98-Q102 VanDerWaalsContact O-CB 3.31Å; Q98-Q102 WeakPolarHBondContact O-CB 3.19Å; Q98-Q102 WeakPolarHBondContact O-CG 3.48Å; Q98-Q102 PolarHBondContact O-N 2.98Å
99	F	97.9	Very high	96.1	Very high	39 Å²	39	39.1 Å²	39.1	17%	0.171	19%	0.191	C	C	.	.	H	α-helix	trans	-58.1	-51.9	174.2	173.7	-87.6	0	0	0	112	Q95 S96 I97 Q101 Q102 N103 F149 T153 P244 L249	Q95-F99 PolarHBondContact O-N 2.67Å; S96-F99 PolarHBondContact O-N 2.8Å; I97-F99 VanDerWaalsContact C-N 3.29Å; I97-F99 PolarHBondContact O-N 2.99Å; F99-Q101 VanDerWaalsContact C-N 3.3Å; F99-Q101 PolarHBondContact O-N 2.96Å; F99-Q102 PolarHBondContact O-N 2.97Å; F99-N103 PolarHBondContact O-N 3.32Å; F99-N103 VanDerWaalsContact O-N 3.11Å; F99-N103 PolarHBondContact O-ND2 2.84Å; F99-F149 HydrophobicContact CB-CE2 3.96Å; F99-F149 HydrophobicContact CB-CZ 3.54Å; F99-F149 HydrophobicContact CD1-CZ 4.39Å; F99-F149 HydrophobicContact CD2-CE1 4.33Å; F99-F149 AromaticContact CD2-CZ 3.71Å; F99-F149 HydrophobicContact CD2-CZ 3.71Å; F99-F149 HydrophobicContact CG-CE1 4.4Å; F99-F149 AromaticContact CG-CZ 3.62Å; F99-F149 HydrophobicContact CG-CZ 3.62Å; F99-T153 HydrophobicContact CD1-CG2 4.35Å; F99-P244 HydrophobicContact CD1-CG 4.03Å; F99-P244 HydrophobicContact CE1-CB 3.72Å; F99-P244 VanDerWaalsContact CE1-CD 3.5Å; F99-P244 HydrophobicContact CE1-CG 3.44Å; F99-P244 VanDerWaalsContact CE1-CG 3.44Å; F99-P244 HydrophobicContact CZ-CB 4.16Å; F99-P244 HydrophobicContact CZ-CG 4.13Å; F99-L249 HydrophobicContact CE1-CD2 3.91Å; F99-L249 HydrophobicContact CZ-CD1 4.23Å; F99-L249 HydrophobicContact CZ-CD2 4.36Å
100	W	98.4	Very high	96.5	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-61.6	-41.6	177	-79.2	109.4	0	0	0	111.3	S96 I97 T104 F108 T153 I156 L160 L162 P244 L249 I252	S96-W100 PolarHBondContact O-N 2.89Å; I97-W100 PolarHBondContact O-N 3.15Å; W100-T104 HydrophobicContact CE3-CG2 3.92Å; W100-T104 HydrophobicContact CZ3-CG2 4.42Å; W100-T104 VanDerWaalsContact O-CB 3.31Å; W100-T104 WeakPolarHBondContact O-CB 3.5Å; W100-T104 WeakPolarHBondContact O-CG2 3.21Å; W100-T104 PolarHBondContact O-N 3.23Å; W100-T104 PolarHBondContact O-OG1 2.54Å; W100-F108 HydrophobicContact CB-CE2 3.8Å; W100-F108 HydrophobicContact CB-CZ 4.06Å; W100-T153 PolarHBondContact NE1-O 3.17Å; W100-T153 VanDerWaalsContact NE1-O 3.07Å; W100-I156 HydrophobicContact CG-CG2 4.02Å; W100-L160 HydrophobicContact CD2-CD1 3.66Å; W100-L160 HydrophobicContact CE3-CD1 3.58Å; W100-L160 HydrophobicContact CG-CD1 4.15Å; W100-L160 HydrophobicContact CH2-CD1 4.41Å; W100-L160 HydrophobicContact CZ2-CD1 4.46Å; W100-L160 HydrophobicContact CZ3-CD1 3.98Å; W100-L162 HydrophobicContact CH2-CD1 3.92Å; W100-P244 HydrophobicContact CH2-CB 4.2Å; W100-P244 HydrophobicContact CH2-CG 4.4Å; W100-P244 HydrophobicContact CZ2-CB 4.09Å; W100-P244 HydrophobicContact CZ2-CG 3.8Å; W100-L249 HydrophobicContact CE3-CD2 3.98Å; W100-L249 HydrophobicContact CZ3-CD2 3.81Å; W100-I252 HydrophobicContact CH2-CG1 4.11Å; W100-I252 HydrophobicContact CZ3-CB 4.18Å; W100-I252 HydrophobicContact CZ3-CG1 3.67Å; W100-I252 HydrophobicContact CZ3-CG2 4.46Å
101	Q	97.6	Very high	96.3	Very high	56 Å²	56	39 Å²	39	26%	0.262	20%	0.196	S	C	.	.	H	α-helix	trans	-63.6	-44.4	178.3	-167.3	167.1	143.9	0	0	111.6	I97 Q98 F99 N103 L106 F108 R275	I97-Q101 WeakPolarHBondContact O-CB 3.44Å; I97-Q101 PolarHBondContact O-N 3.39Å; Q98-Q101 PolarHBondContact O-N 3.39Å; F99-Q101 VanDerWaalsContact C-N 3.3Å; F99-Q101 PolarHBondContact O-N 2.96Å; Q101-N103 PolarHBondContact O-N 2.93Å; Q101-L106 WeakPolarHBondContact CG-O 3.4Å; Q101-F108 HydrophobicContact CB-CD2 4.25Å; Q101-F108 PolarHBondContact NE2-O 3.22Å; Q101-F108 VanDerWaalsContact NE2-O 3.11Å; Q101-R275 WeakPolarHBondContact O-CD 3.45Å; Q101-R275 PolarHBondContact O-NE 2.79Å
102	Q	97	Very high	96	Very high	105 Å²	105	41.4 Å²	41.4	49%	0.491	21%	0.214	S	C	.	.	H	α-helix	trans	-68.7	-33.6	-177.6	-73.8	171.9	17	0	0	112.8	Q98 F99 H273	Q98-Q102 VanDerWaalsContact O-CB 3.31Å; Q98-Q102 WeakPolarHBondContact O-CB 3.19Å; Q98-Q102 WeakPolarHBondContact O-CG 3.48Å; Q98-Q102 PolarHBondContact O-N 2.98Å; F99-Q102 PolarHBondContact O-N 2.97Å; Q102-H273 PolarHBondContact O-CE1 3.16Å; Q102-H273 PolarHBondContact O-NE2 3.44Å
103	N	97.7	Very high	95.3	Very high	30 Å²	30	43.2 Å²	43.2	16%	0.16	23%	0.231	C	C	.	.	H	α-helix	trans	-98.9	-2.2	-174.8	-66.9	-74.3	0	0	0	114.2	F99 Q101 L249 N253	F99-N103 PolarHBondContact O-N 3.32Å; F99-N103 VanDerWaalsContact O-N 3.11Å; F99-N103 PolarHBondContact O-ND2 2.84Å; Q101-N103 PolarHBondContact O-N 2.93Å; N103-L249 HydrophobicContact CB-CD1 3.79Å; N103-L249 HydrophobicContact CB-CD2 3.67Å; N103-L249 HydrophobicContact CB-CG 4.35Å; N103-N253 PolarHBondContact O-ND2 3.38Å
104	T	97.9	Very high	94.4	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.267	C	S	.	.	S	Bend	trans	-131.8	172.6	177.3	76.4	0	0	0	0	111.7	W100 L106 L249 I252 N253 R275	W100-T104 HydrophobicContact CE3-CG2 3.92Å; W100-T104 HydrophobicContact CZ3-CG2 4.42Å; W100-T104 VanDerWaalsContact O-CB 3.31Å; W100-T104 WeakPolarHBondContact O-CB 3.5Å; W100-T104 WeakPolarHBondContact O-CG2 3.21Å; W100-T104 PolarHBondContact O-N 3.23Å; W100-T104 PolarHBondContact O-OG1 2.54Å; T104-L106 VanDerWaalsContact C-N 3.26Å; T104-L106 WeakPolarHBondContact OG1-CB 3.23Å; T104-L106 PolarHBondContact OG1-N 3.26Å; T104-L106 VanDerWaalsContact OG1-N 3.17Å; T104-L249 HydrophobicContact CG2-CD2 4.22Å; T104-I252 HydrophobicContact CG2-CB 4.49Å; T104-I252 HydrophobicContact CG2-CG2 3.82Å; T104-N253 WeakPolarHBondContact CA-OD1 3.34Å; T104-N253 VanDerWaalsContact CB-OD1 3.25Å; T104-N253 WeakPolarHBondContact CB-OD1 3.32Å; T104-N253 WeakPolarHBondContact CG2-OD1 3.24Å; T104-R275 WeakPolarHBondContact O-CD 2.98Å; T104-R275 VanDerWaalsContact O-CG 3.28Å; T104-R275 WeakPolarHBondContact O-CG 3.1Å; T104-R275 PolarHBondContact O-NE 3.17Å
105	C	96.8	Very high	93.5	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.261	C	S	.	.	S	Bend	trans	-84.2	2.7	171.2	66.1	0	0	0	0	114	Y256 C257 R260 P274	C105-Y256 VanDerWaalsContact SG-C 3.55Å; C105-Y256 PolarHBondContact SG-O 3.4Å; C105-C257 HydrophobicContact CB-CB 3.72Å; C105-C257 WeakPolarHBondContact CB-SG 3.27Å; C105-C257 PolarHBondContact N-SG 2.85Å; C105-C257 WeakPolarHBondContact SG-CA 3.5Å; C105-C257 WeakPolarHBondContact SG-CB 3.49Å; C105-C257 CovalentContact SG-SG 2.03Å; C105-C257 PolarHBondContact SG-SG 3.1Å; C105-R260 HydrophobicContact CB-CG 3.79Å; C105-P274 HydrophobicContact CB-CB 4.08Å
106	L	97.6	Very high	92.9	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-77.2	130.6	-178	-63.6	172.3	0	0	0	110.3	R75 Q101 T104 F108 L160 I252 Y256 R275	R75-L106 HydrophobicContact CB-CD2 3.88Å; R75-L106 HydrophobicContact CG-CD2 4.45Å; R75-L106 CarbonylContact O-C 3.56Å; R75-L106 VanDerWaalsContact O-CA 3.3Å; R75-L106 WeakPolarHBondContact O-CA 3.44Å; Q101-L106 WeakPolarHBondContact CG-O 3.4Å; T104-L106 VanDerWaalsContact C-N 3.26Å; T104-L106 WeakPolarHBondContact OG1-CB 3.23Å; T104-L106 PolarHBondContact OG1-N 3.26Å; T104-L106 VanDerWaalsContact OG1-N 3.17Å; L106-F108 HydrophobicContact CB-CE2 4.06Å; L106-L160 HydrophobicContact CD1-CD1 3.77Å; L106-L160 HydrophobicContact CD1-CD2 3.52Å; L106-L160 HydrophobicContact CD1-CG 4.21Å; L106-I252 HydrophobicContact CD1-CG2 3.81Å; L106-Y256 HydrophobicContact CD2-CD1 3.51Å; L106-Y256 HydrophobicContact CD2-CD2 4.42Å; L106-Y256 HydrophobicContact CD2-CE1 3.95Å; L106-Y256 HydrophobicContact CD2-CG 3.75Å; L106-Y256 HydrophobicContact CG-CG 4.46Å; L106-R275 VanDerWaalsContact C-NH2 3.26Å; L106-R275 PolarHBondContact O-NH2 3.07Å
107	D	96.9	Very high	92.6	Very high	46 Å²	46	51.5 Å²	51.5	25%	0.246	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	123.2	173.4	-65.9	-47.3	0	0	0	109.4	R75 T76 V77 I109 R275	R75-D107 PolarHBondContact O-N 3.13Å; T76-D107 CarbonylContact C-O 3.23Å; T76-D107 VanDerWaalsContact CA-O 3.3Å; T76-D107 WeakPolarHBondContact CA-O 3.2Å; V77-D107 PolarHBondContact N-O 2.05Å; D107-I109 HydrophobicContact CB-CD1 4.46Å; D107-I109 HydrophobicContact CB-CG1 4.38Å; D107-R275 IonicContact OD1-CZ 3.28Å; D107-R275 IonicContact OD1-NH1 3.18Å; D107-R275 PolarHBondContact OD1-NH1 3.15Å; D107-R275 IonicContact OD1-NH2 2.61Å; D107-R275 PolarHBondContact OD1-NH2 3.44Å
108	F	97	Very high	92.4	Very high	13 Å²	13	52.1 Å²	52.1	6%	0.057	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	123.3	171.4	-70.2	-108.5	0	0	0	108.9	V77 Y79 I97 W100 Q101 L106 I156 L160	V77-F108 HydrophobicContact CB-CD1 3.65Å; V77-F108 HydrophobicContact CB-CE1 3.75Å; V77-F108 HydrophobicContact CB-CG 4.15Å; V77-F108 HydrophobicContact CB-CZ 4.32Å; V77-F108 HydrophobicContact CG1-CD1 3.85Å; V77-F108 HydrophobicContact CG1-CE1 3.76Å; V77-F108 HydrophobicContact CG2-CD1 4.35Å; V77-F108 HydrophobicContact CG2-CE1 4.03Å; V77-F108 HydrophobicContact CG2-CZ 4.13Å; V77-F108 VanDerWaalsContact O-CA 3.27Å; V77-F108 WeakPolarHBondContact O-CA 3.37Å; Y79-F108 HydrophobicContact CD1-CB 4.16Å; Y79-F108 HydrophobicContact CE1-CB 4.11Å; I97-F108 HydrophobicContact CG1-CD1 4.23Å; I97-F108 HydrophobicContact CG2-CB 3.28Å; I97-F108 HydrophobicContact CG2-CD1 3.86Å; I97-F108 HydrophobicContact CG2-CD2 4.2Å; I97-F108 HydrophobicContact CG2-CG 3.55Å; W100-F108 HydrophobicContact CB-CE2 3.8Å; W100-F108 HydrophobicContact CB-CZ 4.06Å; Q101-F108 HydrophobicContact CB-CD2 4.25Å; Q101-F108 PolarHBondContact NE2-O 3.22Å; Q101-F108 VanDerWaalsContact NE2-O 3.11Å; L106-F108 HydrophobicContact CB-CE2 4.06Å; F108-I156 HydrophobicContact CE1-CG2 3.98Å; F108-I156 HydrophobicContact CZ-CG2 3.88Å; F108-L160 HydrophobicContact CZ-CD1 4.33Å; F108-L160 HydrophobicContact CZ-CD2 3.96Å
109	I	95.2	Very high	92.3	Very high	69 Å²	69	47.4 Å²	47.4	35%	0.354	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	129.1	-170.9	-53.4	-179.1	0	0	0	109.4	T76 V77 R78 Y79 D107 D111	T76-I109 HydrophobicContact CG2-CD1 3.63Å; T76-I109 HydrophobicContact CG2-CG1 4.03Å; V77-I109 PolarHBondContact O-N 2.58Å; R78-I109 VanDerWaalsContact CA-O 3.3Å; R78-I109 WeakPolarHBondContact CA-O 3.27Å; Y79-I109 WeakPolarHBondContact CD1-O 3.34Å; Y79-I109 PolarHBondContact N-O 3.03Å; D107-I109 HydrophobicContact CB-CD1 4.46Å; D107-I109 HydrophobicContact CB-CG1 4.38Å; I109-D111 PolarHBondContact O-N 3.49Å
110	P	95.2	Very high	92.2	Very high	71 Å²	71	46.6 Å²	46.6	46%	0.461	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.2	129.7	170.4	-21.9	30.8	0	0	0	110.7	Y79 T112	Y79-P110 HydrophobicContact CE1-CG 4.16Å; Y79-P110 CarbonylContact O-C 3.6Å; Y79-P110 WeakPolarHBondContact O-CA 3.43Å; P110-T112 PolarHBondContact O-N 3.44Å
111	D	91.1	Very high	92.1	Very high	13 Å²	13	46.8 Å²	46.8	7%	0.07	26%	0.264	C	S	.	.			trans	-85.4	98.1	176.2	-177.7	25.3	0	0	0	111.2	R78 Y79 Q80 I109 S113 Q114 A115 H118	R78-D111 HydrophobicContact CB-CB 4.17Å; Y79-D111 PolarHBondContact O-N 2.92Å; Q80-D111 HydrophobicContact CG-CB 3.72Å; Q80-D111 PolarHBondContact NE2-O 3.48Å; Q80-D111 PolarHBondContact NE2-OD2 3.12Å; I109-D111 PolarHBondContact O-N 3.49Å; D111-S113 PolarHBondContact OD1-N 2.92Å; D111-S113 VanDerWaalsContact OD1-N 3.08Å; D111-S113 PolarHBondContact OD1-OG 3.13Å; D111-Q114 PolarHBondContact OD1-N 3.11Å; D111-Q114 WeakPolarHBondContact OD2-CA 3.12Å; D111-A115 VanDerWaalsContact CG-N 3.34Å; D111-A115 WeakPolarHBondContact OD1-CB 3.09Å; D111-A115 PolarHBondContact OD1-N 3.05Å; D111-A115 VanDerWaalsContact OD1-N 3.14Å; D111-A115 PolarHBondContact OD2-N 3.2Å; D111-H118 HydrophobicContact CB-CB 4.37Å; D111-H118 IonicContact OD2-CE1 3.78Å; D111-H118 IonicContact OD2-CG 2.74Å; D111-H118 IonicContact OD2-ND1 3.01Å; D111-H118 PolarHBondContact OD2-ND1 3Å
112	T	85.4	Confident	92	Very high	135 Å²	135	45.7 Å²	45.7	83%	0.828	26%	0.258	S	S	*	.	S	Bend	trans	-88.6	-8.5	174.8	56.6	0	0	0	0	113	P110	P110-T112 PolarHBondContact O-N 3.44Å
113	S	79.4	Confident	91.9	Very high	79 Å²	79	42.2 Å²	42.2	55%	0.552	24%	0.241	S	C	*	.	S	Bend	trans	-102.1	-1.5	-171.8	54.7	0	0	0	0	114.2	D111 A115	D111-S113 PolarHBondContact OD1-N 2.92Å; D111-S113 VanDerWaalsContact OD1-N 3.08Å; D111-S113 PolarHBondContact OD1-OG 3.13Å; S113-A115 PolarHBondContact O-N 3.28Å
114	Q	76.1	Confident	91.5	Very high	165 Å²	165	41.5 Å²	41.5	77%	0.771	24%	0.241	S	C	*	.			trans	50.2	48.7	-167.2	-60.2	-174.5	-18.6	0	0	110.9	D111	D111-Q114 PolarHBondContact OD1-N 3.11Å; D111-Q114 WeakPolarHBondContact OD2-CA 3.12Å
115	A	78.5	Confident	91.1	Very high	22 Å²	22	42.8 Å²	42.8	18%	0.182	25%	0.254	C	S	.	.			trans	-55	144.8	176.8	0	0	0	0	0	109.6	D111 S113 D117 H118	D111-A115 VanDerWaalsContact CG-N 3.34Å; D111-A115 WeakPolarHBondContact OD1-CB 3.09Å; D111-A115 PolarHBondContact OD1-N 3.05Å; D111-A115 VanDerWaalsContact OD1-N 3.14Å; D111-A115 PolarHBondContact OD2-N 3.2Å; S113-A115 PolarHBondContact O-N 3.28Å; A115-D117 PolarHBondContact O-N 2.9Å; A115-D117 VanDerWaalsContact O-N 3.16Å; A115-H118 PolarHBondContact O-CE1 2.9Å; A115-H118 PolarHBondContact O-ND1 2.85Å
116	S	81.9	Confident	90.8	Very high	106 Å²	106	43.8 Å²	43.8	74%	0.741	27%	0.265	S	S	*	.	S	Bend	trans	-62.7	-26.5	-179.3	58.4	0	0	0	0	112.7	G136 L137	S116-G136 CarbonylContact O-C 2.96Å; S116-G136 WeakPolarHBondContact O-CA 3.32Å; S116-L137 PolarHBondContact O-N 3.26Å
117	D	90.7	Very high	90.6	Very high	29 Å²	29	45.6 Å²	45.6	16%	0.155	28%	0.277	C	S	.	.	S	Bend	trans	-119.8	102.8	-174.2	-170.1	33.5	0	0	0	111.2	A115 R133 G135 G136	A115-D117 PolarHBondContact O-N 2.9Å; A115-D117 VanDerWaalsContact O-N 3.16Å; D117-R133 IonicContact OD1-NH1 2.93Å; D117-R133 PolarHBondContact OD1-NH1 2.84Å; D117-R133 WeakPolarHBondContact OD2-CD 3.03Å; D117-R133 IonicContact OD2-CZ 3.58Å; D117-R133 IonicContact OD2-NE 2.66Å; D117-R133 IonicContact OD2-NH1 3.31Å; D117-R133 PolarHBondContact OD2-NH1 3.39Å; D117-G135 VanDerWaalsContact OD1-CA 3.28Å; D117-G135 WeakPolarHBondContact OD1-CA 3.49Å; D117-G136 WeakPolarHBondContact CA-O 3.5Å; D117-G136 PolarHBondContact OD1-N 2.94Å
118	H	93.9	Very high	90.5	Very high	16 Å²	16	44.3 Å²	44.3	7%	0.074	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	158.7	-178.9	65.8	-85.6	0	0	0	111.8	R78 D111 A115 G136 L137 Q138	R78-H118 HydrophobicContact CB-CB 3.68Å; R78-H118 WeakPolarHBondContact O-CA 2.99Å; D111-H118 HydrophobicContact CB-CB 4.37Å; D111-H118 IonicContact OD2-CE1 3.78Å; D111-H118 IonicContact OD2-CG 2.74Å; D111-H118 IonicContact OD2-ND1 3.01Å; D111-H118 PolarHBondContact OD2-ND1 3Å; A115-H118 PolarHBondContact O-CE1 2.9Å; A115-H118 PolarHBondContact O-ND1 2.85Å; H118-G136 PolarHBondContact N-O 3.34Å; H118-G136 VanDerWaalsContact N-O 3.08Å; H118-L137 VanDerWaalsContact NE2-CD1 3.27Å; H118-L137 WeakPolarHBondContact NE2-CD1 3.27Å; H118-Q138 PolarHBondContact O-N 3.15Å
119	V	96.1	Very high	90.4	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.012	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	135.3	169.4	170.8	0	0	0	0	110.1	W72 V77 R78 Y79 Q80 F121 Q138 I140	W72-V119 HydrophobicContact CH2-CG2 3.73Å; W72-V119 HydrophobicContact CZ2-CG2 3.71Å; V77-V119 HydrophobicContact CG1-CG2 4.01Å; R78-V119 PolarHBondContact O-N 3.5Å; Y79-V119 CarbonylContact C-O 3.44Å; Y79-V119 WeakPolarHBondContact CA-O 3.26Å; Q80-V119 PolarHBondContact N-O 3.08Å; V119-F121 HydrophobicContact CG1-CD2 4.04Å; V119-F121 HydrophobicContact CG1-CE2 3.75Å; V119-F121 HydrophobicContact CG1-CZ 4.07Å; V119-Q138 CarbonylContact C-O 3.46Å; V119-Q138 VanDerWaalsContact CA-O 3.23Å; V119-Q138 WeakPolarHBondContact CA-O 3.34Å; V119-I140 HydrophobicContact CG1-CB 4.28Å; V119-I140 HydrophobicContact CG1-CD1 3.47Å; V119-I140 VanDerWaalsContact CG1-CD1 3.47Å; V119-I140 HydrophobicContact CG1-CG1 3.7Å; V119-I140 HydrophobicContact CG2-CD1 4.39Å
120	L	95.4	Very high	90.2	Very high	22 Å²	22	41.4 Å²	41.4	12%	0.115	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	114.3	168.7	179.6	72.4	0	0	0	109.3	Q80 H82 L137 Q138 L139 I140	Q80-L120 HydrophobicContact CB-CD1 3.68Å; H82-L120 HydrophobicContact CB-CD1 4.01Å; H82-L120 HydrophobicContact CB-CD2 4.24Å; H82-L120 HydrophobicContact CB-CG 4.13Å; L120-L137 HydrophobicContact CB-CD1 3.48Å; L120-L137 VanDerWaalsContact CB-CD1 3.48Å; L120-L137 HydrophobicContact CD2-CD1 3.96Å; L120-L137 HydrophobicContact CD2-CD2 4.44Å; L120-L137 HydrophobicContact CG-CD1 4.32Å; L120-Q138 PolarHBondContact N-O 3.02Å; L120-L139 HydrophobicContact CB-CD2 4.02Å; L120-L139 HydrophobicContact CD2-CD2 3.91Å; L120-L139 HydrophobicContact CG-CD2 4.36Å; L120-I140 PolarHBondContact O-N 2.83Å
121	F	96.8	Very high	90.1	Very high	3 Å²	3	38.2 Å²	38.2	1%	0.013	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	129.9	171.1	-68.2	-86.3	0	0	0	109.5	Y79 Q80 F81 H82 I93 I97 V119 I140 I142 I156	Y79-F121 HydrophobicContact CD2-CE2 4.41Å; Y79-F121 HydrophobicContact CG-CE2 4.46Å; Q80-F121 PolarHBondContact O-N 3.13Å; F81-F121 HydrophobicContact CD1-CB 3.85Å; F81-F121 HydrophobicContact CD1-CD2 4.31Å; F81-F121 HydrophobicContact CD1-CG 4.37Å; F81-F121 HydrophobicContact CE1-CB 4.21Å; F81-F121 HydrophobicContact CE1-CD2 4.04Å; F81-F121 HydrophobicContact CE1-CG 4.26Å; H82-F121 WeakPolarHBondContact CB-O 3.37Å; H82-F121 PolarHBondContact N-O 2.9Å; I93-F121 HydrophobicContact CD1-CB 4.26Å; I93-F121 HydrophobicContact CD1-CD1 4.27Å; I93-F121 HydrophobicContact CD1-CG 4.37Å; I93-F121 HydrophobicContact CG2-CD1 3.8Å; I93-F121 HydrophobicContact CG2-CD2 4.05Å; I93-F121 HydrophobicContact CG2-CE1 3.66Å; I93-F121 HydrophobicContact CG2-CE2 3.93Å; I93-F121 HydrophobicContact CG2-CG 3.99Å; I93-F121 HydrophobicContact CG2-CZ 3.72Å; I97-F121 HydrophobicContact CD1-CE2 3.89Å; I97-F121 HydrophobicContact CD1-CZ 4.18Å; I97-F121 HydrophobicContact CG1-CZ 4.45Å; V119-F121 HydrophobicContact CG1-CD2 4.04Å; V119-F121 HydrophobicContact CG1-CE2 3.75Å; V119-F121 HydrophobicContact CG1-CZ 4.07Å; F121-I140 WeakPolarHBondContact CA-O 3.47Å; F121-I140 HydrophobicContact CD1-CB 3.89Å; F121-I140 HydrophobicContact CD1-CG2 3.83Å; F121-I140 HydrophobicContact CE1-CB 4Å; F121-I140 HydrophobicContact CE1-CD1 3.92Å; F121-I140 HydrophobicContact CE1-CG2 3.78Å; F121-I140 HydrophobicContact CZ-CD1 4.08Å; F121-I142 HydrophobicContact CD1-CG1 4.09Å; F121-I156 HydrophobicContact CE1-CD1 4.45Å; F121-I156 HydrophobicContact CE1-CG1 4.13Å; F121-I156 HydrophobicContact CZ-CD1 4.16Å; F121-I156 HydrophobicContact CZ-CG1 3.98Å
122	F	96	Very high	90.1	Very high	33 Å²	33	37.6 Å²	37.6	15%	0.145	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	159.3	-178.9	81.4	-66.7	0	0	0	111.9	H82 G124 Y128 L139 I140 S141 I142	H82-F122 HydrophobicContact CB-CB 3.67Å; F122-G124 PolarHBondContact O-N 3.33Å; F122-Y128 HydrophobicContact CE1-CE2 4.36Å; F122-Y128 HydrophobicContact CZ-CE2 4.1Å; F122-Y128 AromaticContact CZ-CZ 3.91Å; F122-Y128 WeakPolarHBondContact CZ-OH 3.4Å; F122-L139 HydrophobicContact CD1-CB 4.08Å; F122-L139 HydrophobicContact CD1-CD2 4.46Å; F122-L139 HydrophobicContact CE1-CB 3.68Å; F122-L139 HydrophobicContact CE1-CD1 4.19Å; F122-L139 HydrophobicContact CE1-CG 4.4Å; F122-L139 HydrophobicContact CZ-CB 4.49Å; F122-L139 HydrophobicContact CZ-CD1 4.29Å; F122-I140 VanDerWaalsContact CD1-O 3.3Å; F122-I140 WeakPolarHBondContact CD1-O 3.26Å; F122-I140 PolarHBondContact N-O 2.86Å; F122-S141 WeakPolarHBondContact O-CA 3.24Å; F122-I142 PolarHBondContact O-N 2.82Å
123	R	93.6	Very high	90.4	Very high	32 Å²	32	34.1 Å²	34.1	12%	0.121	20%	0.201	C	C	.	.			trans	-82.1	100.4	172.3	-170.9	124.6	-54.4	143.1	27.4	111	S84 I85 E89 I142 Y144	S84-R123 PolarHBondContact OG-N 2.93Å; I85-R123 HydrophobicContact CD1-CB 4.4Å; E89-R123 IonicContact OE1-CZ 3.54Å; E89-R123 IonicContact OE1-NH1 2.76Å; E89-R123 PolarHBondContact OE1-NH1 2.61Å; E89-R123 IonicContact OE1-NH2 3.69Å; E89-R123 IonicContact OE2-CZ 3.87Å; E89-R123 IonicContact OE2-NH1 3.87Å; E89-R123 PolarHBondContact OE2-NH1 3.18Å; E89-R123 IonicContact OE2-NH2 2.98Å; E89-R123 PolarHBondContact OE2-NH2 2.76Å; R123-I142 PolarHBondContact NE-O 3.33Å; R123-I142 PolarHBondContact NH2-O 3Å; R123-Y144 HydrophobicContact CG-CE2 4.33Å
124	G	91.2	Very high	90.7	Very high	15 Å²	15	36 Å²	36	16%	0.155	20%	0.197	C	C	.	.			trans	-103.4	-168.8	170.1	0	0	0	0	0	113	F122 G126 S141 G143	F122-G124 PolarHBondContact O-N 3.33Å; G124-G126 PolarHBondContact O-N 2.69Å; G124-S141 WeakPolarHBondContact CA-OG 3.35Å; G124-S141 PolarHBondContact N-OG 3.1Å; G124-S141 VanDerWaalsContact N-OG 3.16Å; G124-G143 WeakPolarHBondContact O-CA 3.15Å
125	G	88.8	Confident	91	Very high	27 Å²	27	29 Å²	29	28%	0.278	17%	0.17	S	C	.	.	S	Bend	trans	-78.2	15.9	-177.7	0	0	0	0	0	116.4	P24 E28	P24-G125 VanDerWaalsContact CB-CA 3.45Å; P24-G125 WeakPolarHBondContact CB-O 3.31Å; E28-G125 WeakPolarHBondContact OE2-CA 3.05Å; E28-G125 PolarHBondContact OE2-N 2.96Å
126	G	90.6	Very high	91.6	Very high	22 Å²	22	29.3 Å²	29.3	23%	0.227	18%	0.175	C	C	.	.	S	Bend	trans	170.1	-166.3	-177	0	0	0	0	0	111.8	G124 S141 G143	G124-G126 PolarHBondContact O-N 2.69Å; G126-S141 WeakPolarHBondContact O-CB 3.07Å; G126-S141 PolarHBondContact O-OG 3.12Å; G126-G143 PolarHBondContact O-N 3.28Å
127	C	94	Very high	92	Very high	37 Å²	37	28.6 Å²	28.6	25%	0.25	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	121.9	174.3	-26.4	0	0	0	0	107.3	D36 S141 C146 V151 E155	D36-C127 VanDerWaalsContact CB-O 3.29Å; D36-C127 WeakPolarHBondContact CB-O 3.42Å; C127-S141 WeakPolarHBondContact CA-O 3.37Å; C127-C146 WeakPolarHBondContact CA-SG 3.45Å; C127-C146 HydrophobicContact CB-CB 3.87Å; C127-C146 WeakPolarHBondContact CB-SG 3.22Å; C127-C146 PolarHBondContact N-SG 2.91Å; C127-C146 WeakPolarHBondContact SG-CB 3.31Å; C127-C146 CovalentContact SG-SG 2.03Å; C127-C146 PolarHBondContact SG-SG 3.37Å; C127-V151 HydrophobicContact CB-CG1 3.99Å; C127-E155 VanDerWaalsContact C-OE1 3.29Å; C127-E155 HydrophobicContact CB-CG 4.37Å; C127-E155 VanDerWaalsContact CB-OE1 3.24Å; C127-E155 WeakPolarHBondContact CB-OE1 3.28Å
128	Y	94.5	Very high	92.1	Very high	19 Å²	19	27.2 Å²	27.2	8%	0.075	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164	158.1	176.3	57.6	-97.5	0	0	0	113.4	E28 L32 D36 L38 F122 S141 E155	E28-Y128 PolarHBondContact OE2-OH 3.41Å; L32-Y128 HydrophobicContact CD1-CD1 3.72Å; L32-Y128 HydrophobicContact CD1-CE1 4.47Å; L32-Y128 HydrophobicContact CD1-CG 3.95Å; L32-Y128 HydrophobicContact CD2-CD1 4.34Å; L32-Y128 HydrophobicContact CD2-CD2 4.18Å; L32-Y128 HydrophobicContact CD2-CG 3.93Å; D36-Y128 CarbonylContact O-C 3.55Å; D36-Y128 WeakPolarHBondContact O-CA 3.4Å; D36-Y128 WeakPolarHBondContact O-CB 3.29Å; L38-Y128 HydrophobicContact CB-CD2 4.46Å; F122-Y128 HydrophobicContact CE1-CE2 4.36Å; F122-Y128 HydrophobicContact CZ-CE2 4.1Å; F122-Y128 AromaticContact CZ-CZ 3.91Å; F122-Y128 WeakPolarHBondContact CZ-OH 3.4Å; Y128-S141 WeakPolarHBondContact CE1-OG 3.43Å; Y128-S141 VanDerWaalsContact CZ-CB 3.46Å; Y128-S141 PolarHBondContact N-O 2.89Å; Y128-S141 PolarHBondContact O-N 2.73Å; Y128-E155 WeakPolarHBondContact CA-OE2 3.34Å; Y128-E155 PolarHBondContact N-OE1 2.98Å
129	S	94.2	Very high	92.1	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.165	C	C	.	.	B	Isolated β-bridge	trans	-150.4	167	-177.8	-173.6	0	0	0	0	111.5	D36 I37 L38 E155	D36-S129 PolarHBondContact O-N 3.03Å; I37-S129 WeakPolarHBondContact CA-O 3.43Å; L38-S129 PolarHBondContact N-O 3.41Å; S129-E155 VanDerWaalsContact CB-O 3.26Å; S129-E155 WeakPolarHBondContact CB-O 3.19Å; S129-E155 VanDerWaalsContact CB-OE2 3.24Å; S129-E155 WeakPolarHBondContact CB-OE2 3.18Å; S129-E155 PolarHBondContact N-OE2 3.29Å; S129-E155 VanDerWaalsContact N-OE2 3.13Å; S129-E155 PolarHBondContact OG-O 3.33Å
130	M	91.6	Very high	92.1	Very high	22 Å²	22	29 Å²	29	11%	0.108	16%	0.164	C	C	.	.			trans	-90.9	147.7	168.1	-61.1	-175.5	179.3	0	0	109.6	L38 G132 Y134 Q138 H158 A159	L38-M130 HydrophobicContact CB-CG 4.16Å; L38-M130 HydrophobicContact CD2-CE 3.58Å; L38-M130 HydrophobicContact CD2-CG 4.39Å; L38-M130 HydrophobicContact CG-CE 4.19Å; L38-M130 HydrophobicContact CG-CG 4.44Å; L38-M130 WeakPolarHBondContact O-CG 3.16Å; M130-G132 PolarHBondContact O-N 3.29Å; M130-Y134 HydrophobicContact SD-CD1 4.09Å; M130-Y134 HydrophobicContact SD-CD2 4.28Å; M130-Y134 HydrophobicContact SD-CG 3.74Å; M130-Q138 HydrophobicContact CB-CG 4.28Å; M130-Q138 HydrophobicContact CG-CG 4.33Å; M130-Q138 HydrophobicContact SD-CG 3.98Å; M130-H158 CarbonylContact O-C 3.24Å; M130-H158 VanDerWaalsContact O-C 3.24Å; M130-A159 VanDerWaalsContact O-CA 3.29Å; M130-A159 WeakPolarHBondContact O-CA 3.48Å; M130-A159 PolarHBondContact O-N 2.86Å
131	V	91.7	Very high	92.2	Very high	3 Å²	3	27.9 Å²	27.9	2%	0.018	16%	0.159	C	C	.	.	S	Bend	trans	-85.8	117.6	176.1	-175.4	0	0	0	0	111.9	I37 Q43 E65 H158 W163	I37-V131 HydrophobicContact CD1-CG2 3.86Å; I37-V131 HydrophobicContact CG1-CG2 4.14Å; I37-V131 HydrophobicContact CG2-CG2 3.7Å; Q43-V131 PolarHBondContact NE2-O 3.08Å; Q43-V131 VanDerWaalsContact NE2-O 3.15Å; E65-V131 HydrophobicContact CB-CG1 4.22Å; V131-H158 CarbonylContact C-O 3.47Å; V131-H158 VanDerWaalsContact CA-O 3.26Å; V131-H158 WeakPolarHBondContact CA-O 3.34Å; V131-H158 HydrophobicContact CG2-CB 4.3Å; V131-W163 HydrophobicContact CB-CD2 4.34Å; V131-W163 HydrophobicContact CB-CH2 4.11Å; V131-W163 HydrophobicContact CB-CZ2 3.79Å; V131-W163 HydrophobicContact CG1-CD2 4.01Å; V131-W163 HydrophobicContact CG1-CG 4.2Å; V131-W163 HydrophobicContact CG1-CZ2 3.91Å; V131-W163 HydrophobicContact CG2-CD2 4Å; V131-W163 HydrophobicContact CG2-CE3 3.95Å; V131-W163 HydrophobicContact CG2-CH2 4.02Å; V131-W163 HydrophobicContact CG2-CZ2 4.1Å; V131-W163 HydrophobicContact CG2-CZ3 3.95Å
132	G	92.4	Very high	92.1	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.158	C	C	.	.	S	Bend	trans	75.9	-173.1	-176.7	0	0	0	0	0	113	M130 Y134 Q138 H158 A159	M130-G132 PolarHBondContact O-N 3.29Å; G132-Y134 PolarHBondContact O-N 2.92Å; G132-Q138 PolarHBondContact O-NE2 3.13Å; G132-Q138 PolarHBondContact O-OE1 3.33Å; G132-H158 PolarHBondContact N-O 2.03Å; G132-A159 CarbonylContact C-O 3.4Å; G132-A159 VanDerWaalsContact C-O 3.23Å; G132-A159 VanDerWaalsContact CA-O 3.28Å; G132-A159 WeakPolarHBondContact CA-O 3.38Å
133	R	91.9	Very high	92	Very high	62 Å²	62	26.2 Å²	26.2	23%	0.234	15%	0.151	C	C	.	.			trans	-76	114.5	173.7	-168.3	-171	85.3	80.5	8.6	110	R70 W72 P73 D117	R70-R133 WeakPolarHBondContact O-CB 3.5Å; R70-R133 PolarHBondContact O-N 2.95Å; W72-R133 HydrophobicContact CD2-CB 4.01Å; W72-R133 HydrophobicContact CD2-CG 3.92Å; W72-R133 HydrophobicContact CE3-CB 4.42Å; W72-R133 HydrophobicContact CE3-CG 3.81Å; W72-R133 HydrophobicContact CG-CB 4.32Å; W72-R133 HydrophobicContact CH2-CG 4.02Å; W72-R133 HydrophobicContact CZ2-CB 4.28Å; W72-R133 HydrophobicContact CZ2-CG 4.13Å; W72-R133 HydrophobicContact CZ3-CG 3.86Å; P73-R133 VanDerWaalsContact CD-CD 3.44Å; D117-R133 IonicContact OD1-NH1 2.93Å; D117-R133 PolarHBondContact OD1-NH1 2.84Å; D117-R133 WeakPolarHBondContact OD2-CD 3.03Å; D117-R133 IonicContact OD2-CZ 3.58Å; D117-R133 IonicContact OD2-NE 2.66Å; D117-R133 IonicContact OD2-NH1 3.31Å; D117-R133 PolarHBondContact OD2-NH1 3.39Å
134	Y	85.7	Confident	91.9	Very high	119 Å²	119	33.7 Å²	33.7	47%	0.467	18%	0.181	S	C	.	.			trans	-77.1	-40.2	170.7	179.1	-111.2	0	0	0	111.6	S40 M130 G132	S40-Y134 VanDerWaalsContact CB-CE2 3.48Å; M130-Y134 HydrophobicContact SD-CD1 4.09Å; M130-Y134 HydrophobicContact SD-CD2 4.28Å; M130-Y134 HydrophobicContact SD-CG 3.74Å; G132-Y134 PolarHBondContact O-N 2.92Å
135	G	82.4	Confident	91.8	Very high	19 Å²	19	35.3 Å²	35.3	20%	0.196	20%	0.197	C	C	.	.	S	Bend	trans	95.4	134	-173.3	0	0	0	0	0	112.1	D117	D117-G135 VanDerWaalsContact OD1-CA 3.28Å; D117-G135 WeakPolarHBondContact OD1-CA 3.49Å
136	G	89.3	Confident	91.9	Very high	28 Å²	28	34.1 Å²	34.1	29%	0.289	19%	0.185	S	C	.	.	S	Bend	trans	96.5	-158.7	-174.3	0	0	0	0	0	111.7	S116 D117 H118 Q138	S116-G136 CarbonylContact O-C 2.96Å; S116-G136 WeakPolarHBondContact O-CA 3.32Å; D117-G136 WeakPolarHBondContact CA-O 3.5Å; D117-G136 PolarHBondContact OD1-N 2.94Å; H118-G136 PolarHBondContact N-O 3.34Å; H118-G136 VanDerWaalsContact N-O 3.08Å; G136-Q138 PolarHBondContact O-N 2.7Å
137	L	90.6	Very high	91.9	Very high	91 Å²	91	35.5 Å²	35.5	48%	0.476	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	116.3	164.8	177.2	66.7	0	0	0	109.3	S116 H118 L120 L139	S116-L137 PolarHBondContact O-N 3.26Å; H118-L137 VanDerWaalsContact NE2-CD1 3.27Å; H118-L137 WeakPolarHBondContact NE2-CD1 3.27Å; L120-L137 HydrophobicContact CB-CD1 3.48Å; L120-L137 VanDerWaalsContact CB-CD1 3.48Å; L120-L137 HydrophobicContact CD2-CD1 3.96Å; L120-L137 HydrophobicContact CD2-CD2 4.44Å; L120-L137 HydrophobicContact CG-CD1 4.32Å; L137-L139 HydrophobicContact CD1-CD2 4.39Å; L137-L139 HydrophobicContact CD2-CD2 4.23Å; L137-L139 HydrophobicContact CG-CD2 4.1Å
138	Q	93.2	Very high	91.8	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	126.2	176.6	176.8	167.9	-34.6	0	0	109.6	H118 V119 L120 M130 G132 G136	H118-Q138 PolarHBondContact O-N 3.15Å; V119-Q138 CarbonylContact C-O 3.46Å; V119-Q138 VanDerWaalsContact CA-O 3.23Å; V119-Q138 WeakPolarHBondContact CA-O 3.34Å; L120-Q138 PolarHBondContact N-O 3.02Å; M130-Q138 HydrophobicContact CB-CG 4.28Å; M130-Q138 HydrophobicContact CG-CG 4.33Å; M130-Q138 HydrophobicContact SD-CG 3.98Å; G132-Q138 PolarHBondContact O-NE2 3.13Å; G132-Q138 PolarHBondContact O-OE1 3.33Å; G136-Q138 PolarHBondContact O-N 2.7Å
139	L	94	Very high	91.8	Very high	53 Å²	53	40.8 Å²	40.8	28%	0.277	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	141.5	-175.2	-57.9	-178.4	0	0	0	111.6	L120 F122 L137	L120-L139 HydrophobicContact CB-CD2 4.02Å; L120-L139 HydrophobicContact CD2-CD2 3.91Å; L120-L139 HydrophobicContact CG-CD2 4.36Å; F122-L139 HydrophobicContact CD1-CB 4.08Å; F122-L139 HydrophobicContact CD1-CD2 4.46Å; F122-L139 HydrophobicContact CE1-CB 3.68Å; F122-L139 HydrophobicContact CE1-CD1 4.19Å; F122-L139 HydrophobicContact CE1-CG 4.4Å; F122-L139 HydrophobicContact CZ-CB 4.49Å; F122-L139 HydrophobicContact CZ-CD1 4.29Å; L137-L139 HydrophobicContact CD1-CD2 4.39Å; L137-L139 HydrophobicContact CD2-CD2 4.23Å; L137-L139 HydrophobicContact CG-CD2 4.1Å
140	I	96.5	Very high	91.9	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.005	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	118.3	164.4	-62.5	-177.3	0	0	0	108.1	V119 L120 F121 F122 I142 E155 A159	V119-I140 HydrophobicContact CG1-CB 4.28Å; V119-I140 HydrophobicContact CG1-CD1 3.47Å; V119-I140 VanDerWaalsContact CG1-CD1 3.47Å; V119-I140 HydrophobicContact CG1-CG1 3.7Å; V119-I140 HydrophobicContact CG2-CD1 4.39Å; L120-I140 PolarHBondContact O-N 2.83Å; F121-I140 WeakPolarHBondContact CA-O 3.47Å; F121-I140 HydrophobicContact CD1-CB 3.89Å; F121-I140 HydrophobicContact CD1-CG2 3.83Å; F121-I140 HydrophobicContact CE1-CB 4Å; F121-I140 HydrophobicContact CE1-CD1 3.92Å; F121-I140 HydrophobicContact CE1-CG2 3.78Å; F121-I140 HydrophobicContact CZ-CD1 4.08Å; F122-I140 VanDerWaalsContact CD1-O 3.3Å; F122-I140 WeakPolarHBondContact CD1-O 3.26Å; F122-I140 PolarHBondContact N-O 2.86Å; I140-I142 HydrophobicContact CG2-CD1 4.07Å; I140-E155 HydrophobicContact CG2-CB 3.75Å; I140-A159 HydrophobicContact CD1-CB 3.71Å
141	S	96.7	Very high	92.1	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	122	-179.3	-177.7	0	0	0	0	110.8	F122 G124 G126 C127 Y128	F122-S141 WeakPolarHBondContact O-CA 3.24Å; G124-S141 WeakPolarHBondContact CA-OG 3.35Å; G124-S141 PolarHBondContact N-OG 3.1Å; G124-S141 VanDerWaalsContact N-OG 3.16Å; G126-S141 WeakPolarHBondContact O-CB 3.07Å; G126-S141 PolarHBondContact O-OG 3.12Å; C127-S141 WeakPolarHBondContact CA-O 3.37Å; Y128-S141 WeakPolarHBondContact CE1-OG 3.43Å; Y128-S141 VanDerWaalsContact CZ-CB 3.46Å; Y128-S141 PolarHBondContact N-O 2.89Å; Y128-S141 PolarHBondContact O-N 2.73Å
142	I	95.5	Very high	92.3	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.005	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	83	167.8	-51.2	-58.6	0	0	0	107	I85 I93 F121 F122 R123 I140 C146 I152 E155	I85-I142 HydrophobicContact CD1-CB 4.33Å; I93-I142 HydrophobicContact CD1-CG1 4.11Å; I93-I142 HydrophobicContact CG1-CG1 4.49Å; F121-I142 HydrophobicContact CD1-CG1 4.09Å; F122-I142 PolarHBondContact O-N 2.82Å; R123-I142 PolarHBondContact NE-O 3.33Å; R123-I142 PolarHBondContact NH2-O 3Å; I140-I142 HydrophobicContact CG2-CD1 4.07Å; I142-C146 HydrophobicContact CG2-CB 3.9Å; I142-I152 HydrophobicContact CD1-CB 4.43Å; I142-I152 HydrophobicContact CD1-CG1 3.97Å; I142-I152 HydrophobicContact CD1-CG2 4.32Å; I142-I152 HydrophobicContact CG2-CG1 4.31Å; I142-E155 HydrophobicContact CD1-CB 4.48Å; I142-E155 HydrophobicContact CD1-CG 4.26Å
143	G	92.8	Very high	92.6	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.203	C	C	.	.			trans	-73.3	179.5	176.6	0	0	0	0	0	113.1	G124 G126 G145 C146	G124-G143 WeakPolarHBondContact O-CA 3.15Å; G126-G143 PolarHBondContact O-N 3.28Å; G143-G145 PolarHBondContact O-N 3.29Å; G143-C146 VanDerWaalsContact O-CB 3.24Å; G143-C146 WeakPolarHBondContact O-CB 3.45Å; G143-C146 PolarHBondContact O-N 3.31Å; G143-C146 VanDerWaalsContact O-N 3.12Å; G143-C146 PolarHBondContact O-SG 3.17Å
144	Y	91.6	Very high	92.9	Very high	189 Å²	189	38 Å²	38	74%	0.741	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64	129.7	174.3	-68.8	-71.7	0	0	0	111.1	R123 E147	R123-Y144 HydrophobicContact CG-CE2 4.33Å; Y144-E147 WeakPolarHBondContact CA-OE1 3.09Å
145	G	89.1	Confident	93.5	Very high	48 Å²	48	32.5 Å²	32.5	50%	0.495	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	89	-2.8	-174.1	0	0	0	0	0	114.4	G143 E147 Y148	G143-G145 PolarHBondContact O-N 3.29Å; G145-E147 VanDerWaalsContact C-OE2 3.24Å; G145-E147 WeakPolarHBondContact CA-OE2 3.41Å; G145-E147 PolarHBondContact N-OE1 2.82Å; G145-E147 PolarHBondContact N-OE2 3.08Å; G145-Y148 WeakPolarHBondContact O-CD2 3.3Å; G145-Y148 WeakPolarHBondContact O-CE2 3.3Å
146	C	92.4	Very high	94.2	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.014	16%	0.163	C	C	.	.			trans	-94	-0.2	177	-53.5	0	0	0	0	113	C127 I142 G143 Y148 V151	C127-C146 WeakPolarHBondContact CA-SG 3.45Å; C127-C146 HydrophobicContact CB-CB 3.87Å; C127-C146 WeakPolarHBondContact CB-SG 3.22Å; C127-C146 PolarHBondContact N-SG 2.91Å; C127-C146 WeakPolarHBondContact SG-CB 3.31Å; C127-C146 CovalentContact SG-SG 2.03Å; C127-C146 PolarHBondContact SG-SG 3.37Å; I142-C146 HydrophobicContact CG2-CB 3.9Å; G143-C146 VanDerWaalsContact O-CB 3.24Å; G143-C146 WeakPolarHBondContact O-CB 3.45Å; G143-C146 PolarHBondContact O-N 3.31Å; G143-C146 VanDerWaalsContact O-N 3.12Å; G143-C146 PolarHBondContact O-SG 3.17Å; C146-Y148 PolarHBondContact O-N 2.02Å; C146-V151 HydrophobicContact CB-CG1 4.07Å
147	E	90.4	Very high	94.6	Very high	52 Å²	52	30.3 Å²	30.3	24%	0.243	15%	0.149	C	C	.	.			trans	-78	44.7	-172.2	-48.7	88.9	158.9	0	0	112.7	E89 L92 Y144 G145	E89-E147 HydrophobicContact CG-CG 4.14Å; E89-E147 WeakPolarHBondContact OE2-CG 3.24Å; L92-E147 VanDerWaalsContact CD2-C 3.44Å; L92-E147 WeakPolarHBondContact CD2-O 3.28Å; Y144-E147 WeakPolarHBondContact CA-OE1 3.09Å; G145-E147 VanDerWaalsContact C-OE2 3.24Å; G145-E147 WeakPolarHBondContact CA-OE2 3.41Å; G145-E147 PolarHBondContact N-OE1 2.82Å; G145-E147 PolarHBondContact N-OE2 3.08Å
148	Y	91.8	Very high	94.9	Very high	115 Å²	115	26 Å²	26	45%	0.451	13%	0.126	S	C	.	.	S	Bend	trans	-118.2	140.4	176.3	-63.1	-84.4	0	0	0	109.8	G145 C146 G150 V151 I152	G145-Y148 WeakPolarHBondContact O-CD2 3.3Å; G145-Y148 WeakPolarHBondContact O-CE2 3.3Å; C146-Y148 PolarHBondContact O-N 2.02Å; Y148-G150 PolarHBondContact O-N 3.46Å; Y148-V151 PolarHBondContact O-N 3.03Å; Y148-I152 WeakPolarHBondContact O-CG1 3.32Å; Y148-I152 PolarHBondContact O-N 3.03Å
149	F	94.6	Very high	95	Very high	52 Å²	52	26.1 Å²	26.1	23%	0.228	13%	0.127	C	C	.	.	H	α-helix	trans	-55	-47.6	-176.4	176.5	-90.3	0	0	0	112.9	L92 F99 V151 I152 T153 E242	L92-F149 HydrophobicContact CD1-CB 4.22Å; F99-F149 HydrophobicContact CB-CE2 3.96Å; F99-F149 HydrophobicContact CB-CZ 3.54Å; F99-F149 HydrophobicContact CD1-CZ 4.39Å; F99-F149 HydrophobicContact CD2-CE1 4.33Å; F99-F149 AromaticContact CD2-CZ 3.71Å; F99-F149 HydrophobicContact CD2-CZ 3.71Å; F99-F149 HydrophobicContact CG-CE1 4.4Å; F99-F149 AromaticContact CG-CZ 3.62Å; F99-F149 HydrophobicContact CG-CZ 3.62Å; F149-V151 VanDerWaalsContact C-N 3.31Å; F149-V151 PolarHBondContact O-N 3.24Å; F149-I152 PolarHBondContact O-N 3.41Å; F149-T153 HydrophobicContact CD1-CG2 4.29Å; F149-T153 HydrophobicContact CD2-CG2 4.44Å; F149-T153 HydrophobicContact CE1-CG2 3.91Å; F149-T153 HydrophobicContact CE2-CG2 4.08Å; F149-T153 HydrophobicContact CZ-CG2 3.81Å; F149-T153 WeakPolarHBondContact O-CB 3.3Å; F149-T153 WeakPolarHBondContact O-CG2 3.24Å; F149-T153 PolarHBondContact O-N 2.57Å; F149-T153 PolarHBondContact O-OG1 3.16Å; F149-E242 VanDerWaalsContact CD1-O 3.28Å; F149-E242 WeakPolarHBondContact CD1-O 3.33Å
150	G	95.9	Very high	95.1	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.01	11%	0.114	C	C	.	.	H	α-helix	trans	-66	-30.7	178.1	0	0	0	0	0	113.9	Y148 T153 H154 V210 R241	Y148-G150 PolarHBondContact O-N 3.46Å; G150-T153 VanDerWaalsContact CA-OG1 3.28Å; G150-T153 WeakPolarHBondContact CA-OG1 3.08Å; G150-T153 PolarHBondContact O-OG1 3.16Å; G150-T153 VanDerWaalsContact O-OG1 3.13Å; G150-H154 VanDerWaalsContact O-CB 3.23Å; G150-H154 WeakPolarHBondContact O-CB 3.27Å; G150-H154 PolarHBondContact O-N 3.18Å; G150-V210 WeakPolarHBondContact O-CG2 2.94Å; G150-R241 VanDerWaalsContact CA-O 3.24Å; G150-R241 WeakPolarHBondContact CA-O 3.45Å; G150-R241 PolarHBondContact N-O 3.25Å
151	V	95.4	Very high	95	Very high	21 Å²	21	23.7 Å²	23.7	13%	0.127	12%	0.115	C	C	.	.	H	α-helix	trans	-71.5	-48.1	175.5	177.2	0	0	0	0	110.2	C127 C146 Y148 F149 T153 H154 E155 R241	C127-V151 HydrophobicContact CB-CG1 3.99Å; C146-V151 HydrophobicContact CB-CG1 4.07Å; Y148-V151 PolarHBondContact O-N 3.03Å; F149-V151 VanDerWaalsContact C-N 3.31Å; F149-V151 PolarHBondContact O-N 3.24Å; V151-T153 VanDerWaalsContact C-N 3.34Å; V151-T153 PolarHBondContact O-N 3.2Å; V151-H154 VanDerWaalsContact O-CB 3.27Å; V151-H154 WeakPolarHBondContact O-CB 3.42Å; V151-H154 PolarHBondContact O-N 3.35Å; V151-H154 VanDerWaalsContact O-N 3.16Å; V151-E155 WeakPolarHBondContact O-CG 3.3Å; V151-E155 PolarHBondContact O-N 2.62Å; V151-R241 HydrophobicContact CG2-CB 4.43Å; V151-R241 HydrophobicContact CG2-CG 4.34Å
152	I	96.9	Very high	94.9	Very high	2 Å²	2	23.8 Å²	23.8	1%	0.01	12%	0.116	C	C	.	.	H	α-helix	trans	-63.8	-42.4	179.5	-62.1	158.6	0	0	0	110.8	L92 I93 I142 Y148 F149 H154 E155 I156	L92-I152 HydrophobicContact CB-CD1 4.27Å; L92-I152 HydrophobicContact CD2-CD1 3.62Å; L92-I152 HydrophobicContact CG-CD1 3.65Å; I93-I152 HydrophobicContact CB-CG2 4.37Å; I93-I152 HydrophobicContact CG1-CD1 4.02Å; I93-I152 HydrophobicContact CG1-CG1 4.47Å; I93-I152 HydrophobicContact CG1-CG2 4.1Å; I93-I152 HydrophobicContact CG2-CG2 4.22Å; I142-I152 HydrophobicContact CD1-CB 4.43Å; I142-I152 HydrophobicContact CD1-CG1 3.97Å; I142-I152 HydrophobicContact CD1-CG2 4.32Å; I142-I152 HydrophobicContact CG2-CG1 4.31Å; Y148-I152 WeakPolarHBondContact O-CG1 3.32Å; Y148-I152 PolarHBondContact O-N 3.03Å; F149-I152 PolarHBondContact O-N 3.41Å; I152-H154 VanDerWaalsContact C-N 3.29Å; I152-H154 PolarHBondContact O-N 2.53Å; I152-E155 PolarHBondContact O-N 3.02Å; I152-I156 HydrophobicContact CG2-CD1 3.99Å; I152-I156 WeakPolarHBondContact O-CG1 3.45Å; I152-I156 PolarHBondContact O-N 3.08Å
153	T	98.1	Very high	94.7	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-66.3	-30.7	176.8	51	0	0	0	0	112.8	F99 W100 F149 G150 V151 G157 P244	F99-T153 HydrophobicContact CD1-CG2 4.35Å; W100-T153 PolarHBondContact NE1-O 3.17Å; W100-T153 VanDerWaalsContact NE1-O 3.07Å; F149-T153 HydrophobicContact CD1-CG2 4.29Å; F149-T153 HydrophobicContact CD2-CG2 4.44Å; F149-T153 HydrophobicContact CE1-CG2 3.91Å; F149-T153 HydrophobicContact CE2-CG2 4.08Å; F149-T153 HydrophobicContact CZ-CG2 3.81Å; F149-T153 WeakPolarHBondContact O-CB 3.3Å; F149-T153 WeakPolarHBondContact O-CG2 3.24Å; F149-T153 PolarHBondContact O-N 2.57Å; F149-T153 PolarHBondContact O-OG1 3.16Å; G150-T153 VanDerWaalsContact CA-OG1 3.28Å; G150-T153 WeakPolarHBondContact CA-OG1 3.08Å; G150-T153 PolarHBondContact O-OG1 3.16Å; G150-T153 VanDerWaalsContact O-OG1 3.13Å; V151-T153 VanDerWaalsContact C-N 3.34Å; V151-T153 PolarHBondContact O-N 3.2Å; T153-G157 PolarHBondContact O-N 2.82Å; T153-P244 HydrophobicContact CG2-CG 4.26Å; T153-P244 WeakPolarHBondContact OG1-CD 3.35Å
154	H	97.7	Very high	94.8	Very high	3 Å²	3	24.3 Å²	24.3	1%	0.014	12%	0.117	C	C	.	.	H	α-helix	trans	-61.8	-49.8	170.4	178.6	108.8	0	0	0	111.5	D36 G150 V151 I152 I156 G157 H158 H164 V210 M211	D36-H154 IonicContact OD2-NE2 3.33Å; D36-H154 PolarHBondContact OD2-NE2 2.94Å; G150-H154 VanDerWaalsContact O-CB 3.23Å; G150-H154 WeakPolarHBondContact O-CB 3.27Å; G150-H154 PolarHBondContact O-N 3.18Å; V151-H154 VanDerWaalsContact O-CB 3.27Å; V151-H154 WeakPolarHBondContact O-CB 3.42Å; V151-H154 PolarHBondContact O-N 3.35Å; V151-H154 VanDerWaalsContact O-N 3.16Å; I152-H154 VanDerWaalsContact C-N 3.29Å; I152-H154 PolarHBondContact O-N 2.53Å; H154-I156 VanDerWaalsContact C-N 3.32Å; H154-I156 PolarHBondContact O-N 3.17Å; H154-G157 CarbonylContact O-C 3.55Å; H154-G157 VanDerWaalsContact O-CA 3.27Å; H154-G157 WeakPolarHBondContact O-CA 3.45Å; H154-G157 PolarHBondContact O-N 3.03Å; H154-H158 AromaticContact CD2-CD2 3.71Å; H154-H158 AromaticContact CD2-NE2 3.61Å; H154-H158 AromaticContact NE2-CD2 3.69Å; H154-H158 AromaticContact NE2-CE1 3.88Å; H154-H158 AromaticContact NE2-NE2 3.07Å; H154-H158 PolarHBondContact NE2-NE2 2.94Å; H154-H158 PolarHBondContact O-N 2.81Å; H154-H164 AromaticContact CE1-CD2 3.71Å; H154-H164 AromaticContact CE1-NE2 3.63Å; H154-H164 AromaticContact NE2-CD2 3.97Å; H154-H164 AromaticContact NE2-NE2 3.48Å; H154-H164 PolarHBondContact NE2-NE2 2.78Å; H154-V210 HydrophobicContact CB-CG1 4.43Å; H154-V210 HydrophobicContact CB-CG2 4.18Å; H154-V210 PolarHBondContact CE1-O 3.06Å; H154-V210 PolarHBondContact ND1-O 2.81Å; H154-M211 HydrophobicContact CB-SD 4.36Å
155	E	97.7	Very high	94.9	Very high	4 Å²	4	15.5 Å²	15.5	2%	0.019	8%	0.083	C	C	.	.	H	α-helix	trans	-63.6	-37.1	178.4	-61.1	-53.4	160.2	0	0	112.9	C127 Y128 S129 I140 I142 V151 I152 G157 H158 A159	C127-E155 VanDerWaalsContact C-OE1 3.29Å; C127-E155 HydrophobicContact CB-CG 4.37Å; C127-E155 VanDerWaalsContact CB-OE1 3.24Å; C127-E155 WeakPolarHBondContact CB-OE1 3.28Å; Y128-E155 WeakPolarHBondContact CA-OE2 3.34Å; Y128-E155 PolarHBondContact N-OE1 2.98Å; S129-E155 VanDerWaalsContact CB-O 3.26Å; S129-E155 WeakPolarHBondContact CB-O 3.19Å; S129-E155 VanDerWaalsContact CB-OE2 3.24Å; S129-E155 WeakPolarHBondContact CB-OE2 3.18Å; S129-E155 PolarHBondContact N-OE2 3.29Å; S129-E155 VanDerWaalsContact N-OE2 3.13Å; S129-E155 PolarHBondContact OG-O 3.33Å; I140-E155 HydrophobicContact CG2-CB 3.75Å; I142-E155 HydrophobicContact CD1-CB 4.48Å; I142-E155 HydrophobicContact CD1-CG 4.26Å; V151-E155 WeakPolarHBondContact O-CG 3.3Å; V151-E155 PolarHBondContact O-N 2.62Å; I152-E155 PolarHBondContact O-N 3.02Å; E155-G157 VanDerWaalsContact C-N 3.32Å; E155-H158 WeakPolarHBondContact O-CB 3.38Å; E155-H158 PolarHBondContact O-N 3.31Å; E155-H158 IonicContact OE2-CD2 2.64Å; E155-A159 PolarHBondContact O-N 3.26Å; E155-A159 VanDerWaalsContact O-N 3.16Å
156	I	98	Very high	95.1	Very high	2 Å²	2	13.5 Å²	13.5	1%	0.01	6%	0.061	C	C	.	.	H	α-helix	trans	-64.5	-41.2	170.2	-65.6	167.9	0	0	0	109.8	I97 W100 F108 F121 I152 H154 H158 A159 L160	I97-I156 HydrophobicContact CG1-CD1 3.88Å; W100-I156 HydrophobicContact CG-CG2 4.02Å; F108-I156 HydrophobicContact CE1-CG2 3.98Å; F108-I156 HydrophobicContact CZ-CG2 3.88Å; F121-I156 HydrophobicContact CE1-CD1 4.45Å; F121-I156 HydrophobicContact CE1-CG1 4.13Å; F121-I156 HydrophobicContact CZ-CD1 4.16Å; F121-I156 HydrophobicContact CZ-CG1 3.98Å; I152-I156 HydrophobicContact CG2-CD1 3.99Å; I152-I156 WeakPolarHBondContact O-CG1 3.45Å; I152-I156 PolarHBondContact O-N 3.08Å; H154-I156 VanDerWaalsContact C-N 3.32Å; H154-I156 PolarHBondContact O-N 3.17Å; I156-H158 VanDerWaalsContact C-N 3.31Å; I156-H158 PolarHBondContact O-N 2.93Å; I156-A159 CarbonylContact O-C 3.55Å; I156-A159 WeakPolarHBondContact O-CA 3.33Å; I156-A159 WeakPolarHBondContact O-CB 3.33Å; I156-A159 PolarHBondContact O-N 3.13Å; I156-L160 HydrophobicContact CG2-CD1 4.22Å; I156-L160 HydrophobicContact CG2-CG 4.21Å; I156-L160 WeakPolarHBondContact O-CG 3.44Å; I156-L160 PolarHBondContact O-N 3.49Å
157	G	97.8	Very high	95.1	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-54.3	-44.8	175	0	0	0	0	0	112.6	T153 H154 E155 L160 G161 L162	T153-G157 PolarHBondContact O-N 2.82Å; H154-G157 CarbonylContact O-C 3.55Å; H154-G157 VanDerWaalsContact O-CA 3.27Å; H154-G157 WeakPolarHBondContact O-CA 3.45Å; H154-G157 PolarHBondContact O-N 3.03Å; E155-G157 VanDerWaalsContact C-N 3.32Å; G157-L160 PolarHBondContact O-N 3.02Å; G157-G161 PolarHBondContact O-N 3.31Å; G157-G161 VanDerWaalsContact O-N 3.16Å; G157-L162 WeakPolarHBondContact O-CB 3.19Å; G157-L162 PolarHBondContact O-N 2.84Å
158	H	96.1	Very high	95	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-56.3	-53	169.8	-76.8	-40.3	0	0	0	111.8	D36 M130 V131 G132 H154 E155 I156 L160 G161 L162 H164 M211	D36-H158 IonicContact OD1-NE2 3.05Å; D36-H158 PolarHBondContact OD1-NE2 2.85Å; M130-H158 CarbonylContact O-C 3.24Å; M130-H158 VanDerWaalsContact O-C 3.24Å; V131-H158 CarbonylContact C-O 3.47Å; V131-H158 VanDerWaalsContact CA-O 3.26Å; V131-H158 WeakPolarHBondContact CA-O 3.34Å; V131-H158 HydrophobicContact CG2-CB 4.3Å; G132-H158 PolarHBondContact N-O 2.03Å; H154-H158 AromaticContact CD2-CD2 3.71Å; H154-H158 AromaticContact CD2-NE2 3.61Å; H154-H158 AromaticContact NE2-CD2 3.69Å; H154-H158 AromaticContact NE2-CE1 3.88Å; H154-H158 AromaticContact NE2-NE2 3.07Å; H154-H158 PolarHBondContact NE2-NE2 2.94Å; H154-H158 PolarHBondContact O-N 2.81Å; E155-H158 WeakPolarHBondContact O-CB 3.38Å; E155-H158 PolarHBondContact O-N 3.31Å; E155-H158 IonicContact OE2-CD2 2.64Å; I156-H158 VanDerWaalsContact C-N 3.31Å; I156-H158 PolarHBondContact O-N 2.93Å; H158-L160 PolarHBondContact O-N 3.19Å; H158-L160 VanDerWaalsContact O-N 3.1Å; H158-G161 WeakPolarHBondContact O-CA 3.39Å; H158-G161 PolarHBondContact O-N 3.43Å; H158-L162 WeakPolarHBondContact CA-O 3.28Å; H158-L162 PolarHBondContact ND1-O 3.42Å; H158-H164 AromaticContact CE1-CE1 3.97Å; H158-H164 AromaticContact CE1-NE2 3.88Å; H158-H164 AromaticContact NE2-CE1 3.89Å; H158-H164 AromaticContact NE2-NE2 3.67Å; H158-M211 WeakPolarHBondContact CE1-CE 3.47Å; H158-M211 VanDerWaalsContact ND1-CE 3.31Å; H158-M211 WeakPolarHBondContact ND1-CE 3.4Å
159	A	96.4	Very high	94.7	Very high	3 Å²	3	5.7 Å²	5.7	3%	0.025	3%	0.029	C	C	.	.	H	α-helix	trans	-58.9	-28.3	179.3	0	0	0	0	0	113.1	W72 M130 G132 I140 E155 I156 G161	W72-A159 PolarHBondContact NE1-O 3.33Å; M130-A159 VanDerWaalsContact O-CA 3.29Å; M130-A159 WeakPolarHBondContact O-CA 3.48Å; M130-A159 PolarHBondContact O-N 2.86Å; G132-A159 CarbonylContact C-O 3.4Å; G132-A159 VanDerWaalsContact C-O 3.23Å; G132-A159 VanDerWaalsContact CA-O 3.28Å; G132-A159 WeakPolarHBondContact CA-O 3.38Å; I140-A159 HydrophobicContact CD1-CB 3.71Å; E155-A159 PolarHBondContact O-N 3.26Å; E155-A159 VanDerWaalsContact O-N 3.16Å; I156-A159 CarbonylContact O-C 3.55Å; I156-A159 WeakPolarHBondContact O-CA 3.33Å; I156-A159 WeakPolarHBondContact O-CB 3.33Å; I156-A159 PolarHBondContact O-N 3.13Å; A159-G161 VanDerWaalsContact C-N 3.33Å
160	L	96.4	Very high	94.4	Very high	1 Å²	1	4.1 Å²	4.1	1%	0.005	2%	0.023	C	C	.	.	H	α-helix	trans	-77.3	-18.2	174	-64.9	-175.5	0	0	0	113.9	V77 W100 L106 F108 I156 G157 H158 I252 Y256	V77-L160 HydrophobicContact CG2-CD2 3.97Å; W100-L160 HydrophobicContact CD2-CD1 3.66Å; W100-L160 HydrophobicContact CE3-CD1 3.58Å; W100-L160 HydrophobicContact CG-CD1 4.15Å; W100-L160 HydrophobicContact CH2-CD1 4.41Å; W100-L160 HydrophobicContact CZ2-CD1 4.46Å; W100-L160 HydrophobicContact CZ3-CD1 3.98Å; L106-L160 HydrophobicContact CD1-CD1 3.77Å; L106-L160 HydrophobicContact CD1-CD2 3.52Å; L106-L160 HydrophobicContact CD1-CG 4.21Å; F108-L160 HydrophobicContact CZ-CD1 4.33Å; F108-L160 HydrophobicContact CZ-CD2 3.96Å; I156-L160 HydrophobicContact CG2-CD1 4.22Å; I156-L160 HydrophobicContact CG2-CG 4.21Å; I156-L160 WeakPolarHBondContact O-CG 3.44Å; I156-L160 PolarHBondContact O-N 3.49Å; G157-L160 PolarHBondContact O-N 3.02Å; H158-L160 PolarHBondContact O-N 3.19Å; H158-L160 VanDerWaalsContact O-N 3.1Å; L160-I252 HydrophobicContact CB-CD1 3.75Å; L160-I252 HydrophobicContact CD1-CG1 4.44Å; L160-I252 HydrophobicContact CD1-CG2 4.41Å; L160-Y256 PolarHBondContact O-OH 2.92Å
161	G	93.8	Very high	94.2	Very high	2 Å²	2	4.1 Å²	4.1	2%	0.021	2%	0.023	C	C	.	.	T	Hydrogen-bonded Turn	trans	122.2	5.4	173.5	0	0	0	0	0	115	L64 E65 G157 H158 A159	L64-G161 CarbonylContact C-O 3.47Å; L64-G161 WeakPolarHBondContact CA-O 3.27Å; L64-G161 WeakPolarHBondContact CD1-O 3.01Å; E65-G161 PolarHBondContact N-O 2.67Å; G157-G161 PolarHBondContact O-N 3.31Å; G157-G161 VanDerWaalsContact O-N 3.16Å; H158-G161 WeakPolarHBondContact O-CA 3.39Å; H158-G161 PolarHBondContact O-N 3.43Å; A159-G161 VanDerWaalsContact C-N 3.33Å
162	L	94.3	Very high	94.1	Very high	2 Å²	2	7.7 Å²	7.7	1%	0.01	4%	0.041	C	C	.	.	B	Isolated β-bridge	trans	-74.8	133.4	178.6	-60.9	177	0	0	0	110.3	L64 W100 G157 H158 M211 D248 I251 I252	L64-L162 HydrophobicContact CD1-CD2 3.99Å; W100-L162 HydrophobicContact CH2-CD1 3.92Å; G157-L162 WeakPolarHBondContact O-CB 3.19Å; G157-L162 PolarHBondContact O-N 2.84Å; H158-L162 WeakPolarHBondContact CA-O 3.28Å; H158-L162 PolarHBondContact ND1-O 3.42Å; L162-M211 HydrophobicContact CB-CE 4.15Å; L162-M211 HydrophobicContact CB-CG 4.06Å; L162-M211 HydrophobicContact CB-SD 4.31Å; L162-M211 HydrophobicContact CD1-CG 3.95Å; L162-M211 HydrophobicContact CD1-SD 4.22Å; L162-D248 HydrophobicContact CD1-CB 4.36Å; L162-I251 HydrophobicContact CD2-CB 4.05Å; L162-I251 HydrophobicContact CD2-CD1 4.47Å; L162-I251 HydrophobicContact CD2-CG2 3.56Å; L162-I252 HydrophobicContact CD1-CD1 4.38Å; L162-I252 HydrophobicContact CD1-CG1 4.25Å; L162-I252 HydrophobicContact CD2-CD1 3.9Å; L162-I252 HydrophobicContact CD2-CG1 4.27Å; L162-I252 HydrophobicContact CG-CD1 3.9Å; L162-I252 HydrophobicContact CG-CG1 4.29Å
163	W	92.1	Very high	94	Very high	11 Å²	11	11.7 Å²	11.7	4%	0.042	7%	0.069	C	C	.	.	P	Polyproline II helix	trans	-93.4	171.6	162.9	-67.3	85.2	0	0	0	109.4	F33 I37 L39 S63 V131 V198	F33-W163 HydrophobicContact CD1-CZ3 4.07Å; F33-W163 HydrophobicContact CE1-CZ3 4.1Å; I37-W163 HydrophobicContact CD1-CE3 3.51Å; I37-W163 HydrophobicContact CD1-CZ3 3.61Å; I37-W163 HydrophobicContact CG2-CH2 4.41Å; I37-W163 HydrophobicContact CG2-CZ3 4.05Å; L39-W163 HydrophobicContact CD2-CH2 3.72Å; L39-W163 HydrophobicContact CD2-CZ3 4.05Å; S63-W163 WeakPolarHBondContact O-CB 3.26Å; S63-W163 PolarHBondContact O-N 2.99Å; V131-W163 HydrophobicContact CB-CD2 4.34Å; V131-W163 HydrophobicContact CB-CH2 4.11Å; V131-W163 HydrophobicContact CB-CZ2 3.79Å; V131-W163 HydrophobicContact CG1-CD2 4.01Å; V131-W163 HydrophobicContact CG1-CG 4.2Å; V131-W163 HydrophobicContact CG1-CZ2 3.91Å; V131-W163 HydrophobicContact CG2-CD2 4Å; V131-W163 HydrophobicContact CG2-CE3 3.95Å; V131-W163 HydrophobicContact CG2-CH2 4.02Å; V131-W163 HydrophobicContact CG2-CZ2 4.1Å; V131-W163 HydrophobicContact CG2-CZ3 3.95Å; W163-V198 HydrophobicContact CG-CG1 3.94Å
164	H	93.8	Very high	93.9	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.084	C	C	.	.	P	Polyproline II helix	trans	-60.3	147.1	172	-68.9	119.8	0	0	0	113.7	E34 D36 H154 H158 S167 M211 Y213	E34-H164 WeakPolarHBondContact CB-ND1 3.5Å; E34-H164 PolarHBondContact O-CE1 3.22Å; E34-H164 WeakPolarHBondContact OE2-CB 3.24Å; E34-H164 IonicContact OE2-CE1 3.04Å; E34-H164 IonicContact OE2-CG 2.55Å; E34-H164 IonicContact OE2-ND1 3.62Å; E34-H164 PolarHBondContact OE2-ND1 2.95Å; D36-H164 IonicContact OD1-CE1 3.82Å; D36-H164 PolarHBondContact OD1-CE1 3.45Å; D36-H164 IonicContact OD1-NE2 3.03Å; D36-H164 PolarHBondContact OD1-NE2 3.46Å; D36-H164 IonicContact OD2-CE1 3.94Å; D36-H164 IonicContact OD2-NE2 2.68Å; D36-H164 PolarHBondContact OD2-NE2 2.9Å; H154-H164 AromaticContact CE1-CD2 3.71Å; H154-H164 AromaticContact CE1-NE2 3.63Å; H154-H164 AromaticContact NE2-CD2 3.97Å; H154-H164 AromaticContact NE2-NE2 3.48Å; H154-H164 PolarHBondContact NE2-NE2 2.78Å; H158-H164 AromaticContact CE1-CE1 3.97Å; H158-H164 AromaticContact CE1-NE2 3.88Å; H158-H164 AromaticContact NE2-CE1 3.89Å; H158-H164 AromaticContact NE2-NE2 3.67Å; H164-S167 PolarHBondContact O-N 2.98Å; H164-S167 PolarHBondContact O-OG 2.73Å; H164-M211 CarbonylContact C-O 3.59Å; H164-M211 VanDerWaalsContact CA-O 3.25Å; H164-M211 WeakPolarHBondContact CA-O 3.24Å; H164-M211 PolarHBondContact CD2-O 3.43Å; H164-M211 VanDerWaalsContact CD2-O 3.28Å; H164-Y213 AromaticContact CD2-CE1 3.63Å; H164-Y213 AromaticContact CE1-CE1 3.46Å; H164-Y213 VanDerWaalsContact CE1-CE1 3.46Å; H164-Y213 WeakPolarHBondContact CE1-CE1 3.44Å; H164-Y213 AromaticContact CE1-CZ 3.79Å; H164-Y213 AromaticContact CG-CE1 3.97Å; H164-Y213 AromaticContact ND1-CE1 3.88Å; H164-Y213 AromaticContact ND1-CZ 3.96Å; H164-Y213 AromaticContact NE2-CD1 3.99Å; H164-Y213 AromaticContact NE2-CE1 3.25Å; H164-Y213 VanDerWaalsContact NE2-CE1 3.25Å; H164-Y213 WeakPolarHBondContact NE2-CE1 3.01Å
165	Q	95.2	Very high	93.9	Very high	4 Å²	4	15.1 Å²	15.1	2%	0.019	9%	0.085	C	C	.	.	S	Bend	trans	-72.1	-38.5	-177.6	-173.2	63.7	9	0	0	111.7	S167 R168 Y205 D206 M211 H212	Q165-S167 PolarHBondContact O-N 3.42Å; Q165-R168 VanDerWaalsContact CD-CD 3.42Å; Q165-R168 VanDerWaalsContact NE2-CD 3.28Å; Q165-R168 VanDerWaalsContact O-CB 3.3Å; Q165-R168 WeakPolarHBondContact O-CB 3.31Å; Q165-R168 VanDerWaalsContact O-CG 3.24Å; Q165-R168 WeakPolarHBondContact O-CG 2.99Å; Q165-R168 PolarHBondContact O-N 2.93Å; Q165-R168 VanDerWaalsContact OE1-CD 3.28Å; Q165-Y205 HydrophobicContact CG-CD1 4.49Å; Q165-Y205 HydrophobicContact CG-CE1 4.02Å; Q165-Y205 HydrophobicContact CG-CE2 4.06Å; Q165-Y205 WeakPolarHBondContact O-CE2 3.28Å; Q165-Y205 PolarHBondContact O-OH 3.01Å; Q165-D206 VanDerWaalsContact CG-O 3.28Å; Q165-D206 WeakPolarHBondContact CG-O 3.07Å; Q165-M211 HydrophobicContact CB-CB 4.49Å; Q165-M211 PolarHBondContact N-O 3.16Å; Q165-H212 HydrophobicContact CB-CB 3.93Å; Q165-H212 HydrophobicContact CG-CB 4.4Å
166	Q	93.3	Very high	93.9	Very high	6 Å²	6	22 Å²	22	3%	0.028	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-18.7	177.6	77.9	-71.5	-18.3	0	0	113.8	R168 A171 I175 Y205 Y213 I227	Q166-R168 VanDerWaalsContact C-N 3.25Å; Q166-R168 PolarHBondContact O-N 3.39Å; Q166-A171 WeakPolarHBondContact O-CB 3.25Å; Q166-I175 HydrophobicContact CB-CD1 3.66Å; Q166-Y205 WeakPolarHBondContact CA-OH 3.27Å; Q166-Y213 VanDerWaalsContact CD-CD2 3.42Å; Q166-Y213 VanDerWaalsContact CD-CG 3.45Å; Q166-Y213 HydrophobicContact CG-CD2 3.87Å; Q166-Y213 HydrophobicContact CG-CE2 4.37Å; Q166-Y213 HydrophobicContact CG-CG 4.24Å; Q166-Y213 VanDerWaalsContact NE2-CG 3.33Å; Q166-I227 HydrophobicContact CB-CD1 4.44Å; Q166-I227 HydrophobicContact CG-CD1 4.33Å
167	S	90.8	Very high	93.8	Very high	2 Å²	2	24 Å²	24	1%	0.014	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	2.4	176.5	69.8	0	0	0	0	112.7	E34 H164 Q165 K192 R193	E34-S167 VanDerWaalsContact OE1-CB 3.23Å; E34-S167 WeakPolarHBondContact OE1-CB 3.24Å; E34-S167 PolarHBondContact OE1-OG 3.29Å; E34-S167 PolarHBondContact OE2-OG 3.01Å; H164-S167 PolarHBondContact O-N 2.98Å; H164-S167 PolarHBondContact O-OG 2.73Å; Q165-S167 PolarHBondContact O-N 3.42Å; S167-K192 CarbonylContact O-C 3.55Å; S167-K192 VanDerWaalsContact O-CA 3.3Å; S167-K192 WeakPolarHBondContact O-CA 3.13Å; S167-R193 PolarHBondContact O-N 3.43Å
168	R	90.2	Very high	93.7	Very high	1 Å²	1	25.4 Å²	25.4	0%	0.004	13%	0.128	C	C	.	.	S	Bend	trans	-58.6	142.2	173.1	-76.9	178.5	61.6	147.3	-9.1	112.2	Q165 Q166 D170 A171 I203 P204 Y205	Q165-R168 VanDerWaalsContact CD-CD 3.42Å; Q165-R168 VanDerWaalsContact NE2-CD 3.28Å; Q165-R168 VanDerWaalsContact O-CB 3.3Å; Q165-R168 WeakPolarHBondContact O-CB 3.31Å; Q165-R168 VanDerWaalsContact O-CG 3.24Å; Q165-R168 WeakPolarHBondContact O-CG 2.99Å; Q165-R168 PolarHBondContact O-N 2.93Å; Q165-R168 VanDerWaalsContact OE1-CD 3.28Å; Q166-R168 VanDerWaalsContact C-N 3.25Å; Q166-R168 PolarHBondContact O-N 3.39Å; R168-D170 WeakPolarHBondContact CB-OD1 3.46Å; R168-D170 IonicContact CZ-OD1 3.86Å; R168-D170 IonicContact CZ-OD2 3.13Å; R168-D170 IonicContact NE-OD1 3.6Å; R168-D170 PolarHBondContact NE-OD1 2.66Å; R168-D170 IonicContact NE-OD2 3.92Å; R168-D170 IonicContact NH2-OD1 2.85Å; R168-D170 PolarHBondContact NH2-OD1 2.81Å; R168-D170 IonicContact NH2-OD2 3.97Å; R168-D170 PolarHBondContact NH2-OD2 3.47Å; R168-D170 PolarHBondContact O-N 3.15Å; R168-D170 VanDerWaalsContact O-N 3.13Å; R168-A171 HydrophobicContact CB-CB 4.47Å; R168-A171 WeakPolarHBondContact O-CB 3.27Å; R168-A171 PolarHBondContact O-N 3.39Å; R168-I203 PolarHBondContact NH1-O 3.16Å; R168-I203 PolarHBondContact NH2-O 2.8Å; R168-P204 PolarHBondContact NH1-O 3.23Å; R168-Y205 HydrophobicContact CB-CD2 4.33Å; R168-Y205 HydrophobicContact CB-CE2 4.16Å
169	P	84.4	Confident	93.6	Very high	3 Å²	3	28.7 Å²	28.7	2%	0.019	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-27.4	177.2	-25.2	32.9	0	0	0	115	L59 V60 R62 R193	L59-P169 HydrophobicContact CD2-CB 4.15Å; V60-P169 VanDerWaalsContact O-CB 3.3Å; V60-P169 WeakPolarHBondContact O-CB 3.27Å; V60-P169 VanDerWaalsContact O-CG 3.24Å; V60-P169 WeakPolarHBondContact O-CG 3.13Å; R62-P169 HydrophobicContact CB-CG 4.1Å; R62-P169 WeakPolarHBondContact O-CD 3.36Å; P169-R193 WeakPolarHBondContact CG-O 3.27Å
170	D	88.4	Confident	93.5	Very high	18 Å²	18	33.8 Å²	33.8	10%	0.096	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	4	179.5	58.4	-26.2	0	0	0	114.1	R61 R168 D172 S173 F174	R61-D170 HydrophobicContact CB-CB 4.4Å; R61-D170 WeakPolarHBondContact CB-OD2 3.41Å; R61-D170 WeakPolarHBondContact CD-OD2 3.32Å; R61-D170 HydrophobicContact CG-CB 3.95Å; R61-D170 VanDerWaalsContact CG-OD2 3.23Å; R61-D170 WeakPolarHBondContact CG-OD2 3.45Å; R61-D170 IonicContact NE-OD2 2.67Å; R168-D170 WeakPolarHBondContact CB-OD1 3.46Å; R168-D170 IonicContact CZ-OD1 3.86Å; R168-D170 IonicContact CZ-OD2 3.13Å; R168-D170 IonicContact NE-OD1 3.6Å; R168-D170 PolarHBondContact NE-OD1 2.66Å; R168-D170 IonicContact NE-OD2 3.92Å; R168-D170 IonicContact NH2-OD1 2.85Å; R168-D170 PolarHBondContact NH2-OD1 2.81Å; R168-D170 IonicContact NH2-OD2 3.97Å; R168-D170 PolarHBondContact NH2-OD2 3.47Å; R168-D170 PolarHBondContact O-N 3.15Å; R168-D170 VanDerWaalsContact O-N 3.13Å; D170-D172 VanDerWaalsContact C-N 3.26Å; D170-D172 PolarHBondContact O-N 3.18Å; D170-S173 WeakPolarHBondContact O-CB 3.23Å; D170-S173 PolarHBondContact O-N 3.48Å; D170-F174 WeakPolarHBondContact O-CD2 3.48Å
171	A	92.2	Very high	93.5	Very high	2 Å²	2	34.7 Å²	34.7	2%	0.017	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-56.2	-35.4	-176.7	0	0	0	0	0	113.7	Q166 R168 S173 F174 I175 Y205	Q166-A171 WeakPolarHBondContact O-CB 3.25Å; R168-A171 HydrophobicContact CB-CB 4.47Å; R168-A171 WeakPolarHBondContact O-CB 3.27Å; R168-A171 PolarHBondContact O-N 3.39Å; A171-S173 PolarHBondContact O-N 3.05Å; A171-F174 WeakPolarHBondContact O-CA 3.2Å; A171-F174 PolarHBondContact O-N 3.2Å; A171-I175 HydrophobicContact CB-CD1 4.15Å; A171-I175 HydrophobicContact CB-CG1 4.07Å; A171-I175 WeakPolarHBondContact O-CG1 3.3Å; A171-I175 PolarHBondContact O-N 2.64Å; A171-Y205 HydrophobicContact CB-CE2 3.8Å
172	D	92.5	Very high	93.4	Very high	95 Å²	95	35.1 Å²	35.1	51%	0.508	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	-60.5	-15.8	178.6	-63.7	7	0	0	0	114	D170 I175 K192	D170-D172 VanDerWaalsContact C-N 3.26Å; D170-D172 PolarHBondContact O-N 3.18Å; D172-I175 WeakPolarHBondContact CA-O 3.27Å; D172-K192 WeakPolarHBondContact OD1-CD 3.3Å; D172-K192 IonicContact OD1-NZ 3.83Å; D172-K192 PolarHBondContact OD1-NZ 3.33Å; D172-K192 IonicContact OD2-NZ 3.59Å; D172-K192 PolarHBondContact OD2-NZ 2.77Å
173	S	94.8	Very high	93.3	Very high	87 Å²	87	38.6 Å²	38.6	61%	0.608	20%	0.197	S	C	*	.	G	3₁₀ helix	trans	-80.2	-6.2	173.6	-56.7	0	0	0	0	113.1	D170 A171	D170-S173 WeakPolarHBondContact O-CB 3.23Å; D170-S173 PolarHBondContact O-N 3.48Å; A171-S173 PolarHBondContact O-N 3.05Å
174	F	96.6	Very high	93.1	Very high	69 Å²	69	47.1 Å²	47.1	30%	0.303	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-129.6	-38.8	-171	-60.5	-80.4	0	0	0	112	D170 A171 Y205 M207 L230	D170-F174 WeakPolarHBondContact O-CD2 3.48Å; A171-F174 WeakPolarHBondContact O-CA 3.2Å; A171-F174 PolarHBondContact O-N 3.2Å; F174-Y205 HydrophobicContact CB-CD1 3.98Å; F174-Y205 HydrophobicContact CB-CE1 4.1Å; F174-Y205 HydrophobicContact CB-CG 4.29Å; F174-Y205 HydrophobicContact CD1-CD1 4.26Å; F174-Y205 HydrophobicContact CD1-CG 4.31Å; F174-Y205 HydrophobicContact CD2-CD1 4.09Å; F174-Y205 AromaticContact CD2-CD2 3.77Å; F174-Y205 HydrophobicContact CD2-CD2 3.77Å; F174-Y205 HydrophobicContact CD2-CE2 4.46Å; F174-Y205 AromaticContact CD2-CG 3.55Å; F174-Y205 HydrophobicContact CD2-CG 3.55Å; F174-Y205 HydrophobicContact CE2-CD2 4.2Å; F174-Y205 AromaticContact CE2-CG 3.9Å; F174-Y205 HydrophobicContact CE2-CG 3.9Å; F174-Y205 AromaticContact CG-CD1 3.85Å; F174-Y205 HydrophobicContact CG-CD1 3.85Å; F174-Y205 HydrophobicContact CG-CD2 4.34Å; F174-Y205 HydrophobicContact CG-CE1 4.45Å; F174-Y205 AromaticContact CG-CG 3.78Å; F174-Y205 HydrophobicContact CG-CG 3.78Å; F174-Y205 HydrophobicContact CZ-CG 4.41Å; F174-M207 HydrophobicContact CB-CE 3.61Å; F174-M207 HydrophobicContact CB-SD 4.46Å; F174-M207 VanDerWaalsContact O-CE 3.28Å; F174-M207 WeakPolarHBondContact O-CE 3.24Å; F174-L230 WeakPolarHBondContact O-CB 3.33Å; F174-L230 WeakPolarHBondContact O-CG 3.43Å; F174-L230 PolarHBondContact O-N 3.31Å
175	I	97.5	Very high	92.6	Very high	6 Å²	6	49.9 Å²	49.9	3%	0.031	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	163	-176.8	60.4	166.8	0	0	0	111.6	Q166 A171 D172 I177 M207 I227 V228 T229	Q166-I175 HydrophobicContact CB-CD1 3.66Å; A171-I175 HydrophobicContact CB-CD1 4.15Å; A171-I175 HydrophobicContact CB-CG1 4.07Å; A171-I175 WeakPolarHBondContact O-CG1 3.3Å; A171-I175 PolarHBondContact O-N 2.64Å; D172-I175 WeakPolarHBondContact CA-O 3.27Å; I175-I177 HydrophobicContact CD1-CD1 4.13Å; I175-M207 HydrophobicContact CG2-CE 4.04Å; I175-M207 HydrophobicContact CG2-SD 4.03Å; I175-I227 HydrophobicContact CB-CG2 3.92Å; I175-I227 HydrophobicContact CD1-CG2 3.83Å; I175-I227 HydrophobicContact CG1-CG2 4.46Å; I175-I227 HydrophobicContact CG2-CG2 4.04Å; I175-V228 CarbonylContact C-O 3.6Å; I175-V228 WeakPolarHBondContact CA-O 3.39Å; I175-T229 HydrophobicContact CG2-CG2 4.3Å
176	R	96.8	Very high	92.2	Very high	147 Å²	147	52.5 Å²	52.5	56%	0.555	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130	129.6	170.6	-179.4	173	62.3	-174.4	-0.3	109.4	L178 V228 L230	R176-L178 HydrophobicContact CG-CD2 4.49Å; R176-V228 PolarHBondContact N-O 3.43Å; R176-V228 PolarHBondContact O-N 3.48Å; R176-L230 HydrophobicContact CB-CD2 4.27Å
177	I	95.6	Very high	91.8	Very high	44 Å²	44	56.3 Å²	56.3	23%	0.226	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	135.5	173.2	-52.1	-54.8	0	0	0	109.3	I175 P179 L187 F190 T226 I227	I175-I177 HydrophobicContact CD1-CD1 4.13Å; I177-P179 WeakPolarHBondContact O-CD 3.37Å; I177-L187 HydrophobicContact CG2-CD1 4.49Å; I177-F190 HydrophobicContact CD1-CD1 3.58Å; I177-F190 HydrophobicContact CD1-CE1 4.11Å; I177-F190 HydrophobicContact CD1-CG 4.39Å; I177-F190 HydrophobicContact CG1-CB 4.31Å; I177-F190 HydrophobicContact CG1-CD1 4.12Å; I177-F190 HydrophobicContact CG1-CG 4.48Å; I177-F190 HydrophobicContact CG2-CB 4.15Å; I177-F190 HydrophobicContact CG2-CD1 3.99Å; I177-F190 HydrophobicContact CG2-CD2 4.36Å; I177-F190 HydrophobicContact CG2-CE1 4.47Å; I177-F190 HydrophobicContact CG2-CG 3.9Å; I177-T226 CarbonylContact C-O 3.49Å; I177-T226 VanDerWaalsContact CA-O 3.31Å; I177-T226 WeakPolarHBondContact CA-O 3.43Å; I177-I227 HydrophobicContact CD1-CB 4.36Å; I177-I227 HydrophobicContact CD1-CD1 4.42Å; I177-I227 HydrophobicContact CD1-CG1 3.84Å; I177-I227 HydrophobicContact CD1-CG2 4.16Å
178	L	96.4	Very high	91.3	Very high	30 Å²	30	59.7 Å²	59.7	16%	0.157	31%	0.313	C	S	.	.			trans	-103.4	85.9	175.6	-61.3	-173.3	0	0	0	109.6	R176 E180 N181 T226 V228	R176-L178 HydrophobicContact CG-CD2 4.49Å; L178-E180 PolarHBondContact O-N 3.37Å; L178-N181 HydrophobicContact CB-CB 4.39Å; L178-N181 PolarHBondContact O-N 3.46Å; L178-T226 PolarHBondContact N-O 3.35Å; L178-V228 HydrophobicContact CD1-CG2 3.61Å; L178-V228 HydrophobicContact CG-CG2 4Å
179	P	93.3	Very high	91.1	Very high	70 Å²	70	59.7 Å²	59.7	46%	0.455	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-59.9	-29.4	-173.2	25	-35.6	0	0	0	113.3	I177 N181 V182 L187	I177-P179 WeakPolarHBondContact O-CD 3.37Å; P179-N181 PolarHBondContact O-N 3.42Å; P179-V182 PolarHBondContact O-N 2.68Å; P179-L187 HydrophobicContact CB-CD1 3.81Å; P179-L187 HydrophobicContact CB-CD2 4.1Å
180	E	95.6	Very high	91.1	Very high	110 Å²	110	60.4 Å²	60.4	51%	0.514	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-62.9	-23.6	176.6	63	-88.6	-152.9	0	0	113.5	L178 R220	L178-E180 PolarHBondContact O-N 3.37Å; E180-R220 PolarHBondContact O-NE 3.01Å; E180-R220 PolarHBondContact O-NH1 2.89Å; E180-R220 PolarHBondContact O-NH2 2.97Å; E180-R220 VanDerWaalsContact O-NH2 3.11Å
181	N	96.7	Very high	90.9	Very high	20 Å²	20	63 Å²	63	11%	0.107	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-93.9	-9.6	179.4	-67.4	-17.8	0	0	0	112.8	L178 P179 S219 R220 L224 F225 T226	L178-N181 HydrophobicContact CB-CB 4.39Å; L178-N181 PolarHBondContact O-N 3.46Å; P179-N181 PolarHBondContact O-N 3.42Å; N181-S219 WeakPolarHBondContact O-CA 3.19Å; N181-S219 PolarHBondContact O-OG 3.26Å; N181-R220 WeakPolarHBondContact O-CG 3.15Å; N181-R220 PolarHBondContact O-N 2.77Å; N181-L224 HydrophobicContact CB-CB 4.07Å; N181-L224 HydrophobicContact CB-CD1 4.46Å; N181-F225 WeakPolarHBondContact CB-O 3.33Å; N181-F225 PolarHBondContact ND2-O 3.3Å; N181-T226 HydrophobicContact CB-CG2 4.14Å
182	V	91.9	Very high	90.4	Very high	11 Å²	11	64.2 Å²	64.2	7%	0.067	34%	0.335	C	S	.	.	B	Isolated β-bridge	trans	-79.2	143.1	-178.6	-177.9	0	0	0	0	110.4	P179 Q184 Q186 L187 F190 F218 T226	P179-V182 PolarHBondContact O-N 2.68Å; V182-Q184 PolarHBondContact O-N 2.72Å; V182-Q186 HydrophobicContact CG1-CB 4.01Å; V182-L187 HydrophobicContact CG2-CD1 4.2Å; V182-F190 HydrophobicContact CB-CE2 4.46Å; V182-F190 HydrophobicContact CG1-CD2 4.37Å; V182-F190 HydrophobicContact CG1-CE2 3.8Å; V182-F190 HydrophobicContact CG2-CD2 4.22Å; V182-F190 HydrophobicContact CG2-CE2 3.69Å; V182-F190 HydrophobicContact CG2-CZ 4.27Å; V182-F218 WeakPolarHBondContact CA-O 3.05Å; V182-F218 HydrophobicContact CG1-CB 4.29Å; V182-T226 HydrophobicContact CB-CG2 4.49Å; V182-T226 HydrophobicContact CG2-CG2 3.75Å
183	I	90.5	Very high	89.4	Confident	74 Å²	74	60.1 Å²	60.1	38%	0.379	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-53.4	136.3	171.7	-65.7	162.8	0	0	0	109.5	G185 Q186 F218 S219 R220	I183-G185 PolarHBondContact O-N 3.03Å; I183-Q186 HydrophobicContact CB-CB 4.14Å; I183-Q186 HydrophobicContact CB-CG 3.83Å; I183-Q186 HydrophobicContact CG2-CG 3.83Å; I183-Q186 WeakPolarHBondContact O-CB 3.05Å; I183-Q186 PolarHBondContact O-N 2.65Å; I183-F218 WeakPolarHBondContact CG1-O 3.31Å; I183-F218 PolarHBondContact N-O 3.33Å; I183-S219 WeakPolarHBondContact CD1-O 3.44Å; I183-S219 WeakPolarHBondContact CG1-O 3.33Å; I183-R220 HydrophobicContact CG1-CB 4.27Å
184	Q	87.8	Confident	88.1	Confident	190 Å²	190	57.2 Å²	57.2	89%	0.888	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	126.7	179.5	-173.7	175.8	2.6	0	0	110.8	V182 Q186	V182-Q184 PolarHBondContact O-N 2.72Å; Q184-Q186 VanDerWaalsContact C-N 3.35Å
185	G	84	Confident	86.6	Confident	59 Å²	59	55.3 Å²	55.3	61%	0.608	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	86	-7.2	-178.9	0	0	0	0	0	115.3	I183 F188	I183-G185 PolarHBondContact O-N 3.03Å; G185-F188 WeakPolarHBondContact O-CD1 3.42Å; G185-F188 WeakPolarHBondContact O-CE1 3.45Å
186	Q	86	Confident	84.8	Confident	58 Å²	58	58 Å²	58	27%	0.271	30%	0.3	S	S	.	.			trans	-96.1	4.3	-179.3	-64.1	-67.8	-8.7	0	0	114.1	V182 I183 Q184 F188 N189 F218	V182-Q186 HydrophobicContact CG1-CB 4.01Å; I183-Q186 HydrophobicContact CB-CB 4.14Å; I183-Q186 HydrophobicContact CB-CG 3.83Å; I183-Q186 HydrophobicContact CG2-CG 3.83Å; I183-Q186 WeakPolarHBondContact O-CB 3.05Å; I183-Q186 PolarHBondContact O-N 2.65Å; Q184-Q186 VanDerWaalsContact C-N 3.35Å; Q186-F188 PolarHBondContact O-N 3.39Å; Q186-F188 VanDerWaalsContact O-N 3.14Å; Q186-N189 PolarHBondContact O-N 3.17Å; Q186-N189 PolarHBondContact O-ND2 2.65Å; Q186-N189 VanDerWaalsContact O-ND2 3.16Å; Q186-N189 PolarHBondContact OE1-ND2 3.05Å; Q186-F218 HydrophobicContact CB-CB 4.21Å; Q186-F218 HydrophobicContact CB-CD1 4.37Å; Q186-F218 HydrophobicContact CB-CG 4.5Å
187	L	85.5	Confident	83	Confident	87 Å²	87	52.2 Å²	52.2	46%	0.455	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-63.6	-21	-178.7	-168.9	62.4	0	0	0	112.9	I177 P179 V182 N189 F190	I177-L187 HydrophobicContact CG2-CD1 4.49Å; P179-L187 HydrophobicContact CB-CD1 3.81Å; P179-L187 HydrophobicContact CB-CD2 4.1Å; V182-L187 HydrophobicContact CG2-CD1 4.2Å; L187-N189 PolarHBondContact O-N 2.9Å; L187-F190 HydrophobicContact CD1-CD2 4.27Å; L187-F190 PolarHBondContact O-N 3.47Å; L187-F190 VanDerWaalsContact O-N 3.1Å
188	F	81.2	Confident	81.5	Confident	72 Å²	72	50.2 Å²	50.2	32%	0.316	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-64.3	-23.7	178.5	70.3	-90.4	0	0	0	113.3	F33 G185 Q186 F190 L191	F33-F188 HydrophobicContact CD2-CD2 4.47Å; G185-F188 WeakPolarHBondContact O-CD1 3.42Å; G185-F188 WeakPolarHBondContact O-CE1 3.45Å; Q186-F188 PolarHBondContact O-N 3.39Å; Q186-F188 VanDerWaalsContact O-N 3.14Å; F188-F190 PolarHBondContact O-N 2.92Å; F188-L191 HydrophobicContact CB-CD1 3.87Å; F188-L191 HydrophobicContact CB-CG 4.44Å; F188-L191 VanDerWaalsContact O-CB 3.31Å; F188-L191 WeakPolarHBondContact O-CB 3.37Å; F188-L191 VanDerWaalsContact O-CG 3.27Å; F188-L191 WeakPolarHBondContact O-CG 3.48Å; F188-L191 PolarHBondContact O-N 2.87Å; F188-L191 VanDerWaalsContact O-N 3.11Å
189	N	84.5	Confident	80.4	Confident	1 Å²	1	50.4 Å²	50.4	1%	0.005	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-68.3	-8.9	175.1	-61.5	-49	0	0	0	113.2	E34 G35 Q186 L187 F218	E34-N189 WeakPolarHBondContact CA-OD1 3.31Å; E34-N189 PolarHBondContact N-OD1 2.75Å; G35-N189 PolarHBondContact N-OD1 2.77Å; Q186-N189 PolarHBondContact O-N 3.17Å; Q186-N189 PolarHBondContact O-ND2 2.65Å; Q186-N189 VanDerWaalsContact O-ND2 3.16Å; Q186-N189 PolarHBondContact OE1-ND2 3.05Å; L187-N189 PolarHBondContact O-N 2.9Å; N189-F218 HydrophobicContact CB-CD2 3.94Å; N189-F218 HydrophobicContact CB-CE2 3.63Å; N189-F218 HydrophobicContact CB-CZ 3.97Å; N189-F218 WeakPolarHBondContact ND2-CE1 3.43Å
190	F	85.9	Confident	79.4	Confident	18 Å²	18	47.6 Å²	47.6	8%	0.079	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-106.4	9.8	175.6	-59.2	-83.1	0	0	0	112.4	I177 V182 L187 F188 K192 Y213 A217 F218 I227	I177-F190 HydrophobicContact CD1-CD1 3.58Å; I177-F190 HydrophobicContact CD1-CE1 4.11Å; I177-F190 HydrophobicContact CD1-CG 4.39Å; I177-F190 HydrophobicContact CG1-CB 4.31Å; I177-F190 HydrophobicContact CG1-CD1 4.12Å; I177-F190 HydrophobicContact CG1-CG 4.48Å; I177-F190 HydrophobicContact CG2-CB 4.15Å; I177-F190 HydrophobicContact CG2-CD1 3.99Å; I177-F190 HydrophobicContact CG2-CD2 4.36Å; I177-F190 HydrophobicContact CG2-CE1 4.47Å; I177-F190 HydrophobicContact CG2-CG 3.9Å; V182-F190 HydrophobicContact CB-CE2 4.46Å; V182-F190 HydrophobicContact CG1-CD2 4.37Å; V182-F190 HydrophobicContact CG1-CE2 3.8Å; V182-F190 HydrophobicContact CG2-CD2 4.22Å; V182-F190 HydrophobicContact CG2-CE2 3.69Å; V182-F190 HydrophobicContact CG2-CZ 4.27Å; L187-F190 HydrophobicContact CD1-CD2 4.27Å; L187-F190 PolarHBondContact O-N 3.47Å; L187-F190 VanDerWaalsContact O-N 3.1Å; F188-F190 PolarHBondContact O-N 2.92Å; F190-K192 PolarHBondContact O-N 3.11Å; F190-K192 VanDerWaalsContact O-N 3.15Å; F190-Y213 HydrophobicContact CE1-CD2 4.21Å; F190-A217 WeakPolarHBondContact CZ-O 3.3Å; F190-F218 HydrophobicContact CE2-CB 4.12Å; F190-F218 HydrophobicContact CE2-CD2 4.02Å; F190-F218 HydrophobicContact CE2-CG 4.47Å; F190-F218 HydrophobicContact CZ-CB 4.31Å; F190-F218 AromaticContact CZ-CD2 3.91Å; F190-F218 HydrophobicContact CZ-CD2 3.91Å; F190-I227 HydrophobicContact CD1-CG1 4.5Å; F190-I227 HydrophobicContact CE1-CD1 3.91Å; F190-I227 HydrophobicContact CE1-CG1 3.77Å
191	L	83.1	Confident	78.6	Confident	73 Å²	73	45.5 Å²	45.5	38%	0.382	24%	0.244	S	C	.	.			trans	-69.9	111.1	178.8	-72.9	171.2	0	0	0	111	F188 R193	F188-L191 HydrophobicContact CB-CD1 3.87Å; F188-L191 HydrophobicContact CB-CG 4.44Å; F188-L191 VanDerWaalsContact O-CB 3.31Å; F188-L191 WeakPolarHBondContact O-CB 3.37Å; F188-L191 VanDerWaalsContact O-CG 3.27Å; F188-L191 WeakPolarHBondContact O-CG 3.48Å; F188-L191 PolarHBondContact O-N 2.87Å; F188-L191 VanDerWaalsContact O-N 3.11Å; L191-R193 PolarHBondContact O-N 2.91Å; L191-R193 PolarHBondContact O-NE 2.93Å; L191-R193 PolarHBondContact O-NH2 3.15Å
192	K	81.4	Confident	78	Confident	27 Å²	27	50.9 Å²	50.9	12%	0.117	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-53.9	140.5	171.6	-65	-177.4	-64.1	-176.1	0	111.6	S167 D172 F190	S167-K192 CarbonylContact O-C 3.55Å; S167-K192 VanDerWaalsContact O-CA 3.3Å; S167-K192 WeakPolarHBondContact O-CA 3.13Å; D172-K192 WeakPolarHBondContact OD1-CD 3.3Å; D172-K192 IonicContact OD1-NZ 3.83Å; D172-K192 PolarHBondContact OD1-NZ 3.33Å; D172-K192 IonicContact OD2-NZ 3.59Å; D172-K192 PolarHBondContact OD2-NZ 2.77Å; F190-K192 PolarHBondContact O-N 3.11Å; F190-K192 VanDerWaalsContact O-N 3.15Å
193	R	71.6	Confident	78	Confident	9 Å²	9	51 Å²	51	3%	0.034	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-71.2	149.8	177.7	-57.1	-61.1	71.9	-164.1	-7.8	110.6	E34 S167 P169 L191 V198	E34-R193 IonicContact OE1-CZ 3.18Å; E34-R193 IonicContact OE1-NE 2.89Å; S167-R193 PolarHBondContact O-N 3.43Å; P169-R193 WeakPolarHBondContact CG-O 3.27Å; L191-R193 PolarHBondContact O-N 2.91Å; L191-R193 PolarHBondContact O-NE 2.93Å; L191-R193 PolarHBondContact O-NH2 3.15Å; R193-V198 HydrophobicContact CB-CG2 3.62Å; R193-V198 HydrophobicContact CG-CG2 4.45Å
194	N	68.5	Low	78.2	Confident	27 Å²	27	48.9 Å²	48.9	14%	0.144	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-83.9	155.1	174.8	-82.7	-0.2	0	0	0	110.8	S50 D196 Q197 V198	S50-N194 WeakPolarHBondContact CA-ND2 3.35Å; S50-N194 WeakPolarHBondContact CB-ND2 3.41Å; S50-N194 PolarHBondContact O-ND2 3.08Å; N194-D196 WeakPolarHBondContact CB-OD1 3.35Å; N194-D196 PolarHBondContact O-N 2.9Å; N194-Q197 PolarHBondContact O-N 3.26Å; N194-Q197 VanDerWaalsContact O-N 3.13Å; N194-V198 WeakPolarHBondContact O-CG2 3.28Å
195	S	64.4	Low	78.6	Confident	28 Å²	28	40.2 Å²	40.2	20%	0.196	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-64.1	-36.9	-169.8	83.6	0	0	0	0	111	R62 Q197 V198	R62-S195 VanDerWaalsContact CD-CA 3.43Å; R62-S195 WeakPolarHBondContact CD-O 3.28Å; R62-S195 PolarHBondContact NH1-O 3.07Å; R62-S195 PolarHBondContact NH1-OG 2.98Å; R62-S195 VanDerWaalsContact NH1-OG 3.13Å; S195-Q197 PolarHBondContact O-N 3.35Å; S195-V198 PolarHBondContact O-N 3.3Å
196	D	60.9	Low	79.2	Confident	64 Å²	64	37.5 Å²	37.5	34%	0.342	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-54.2	-26	177.6	36.1	12.9	0	0	0	114.9	R57 R66 N194	R57-D196 IonicContact NH1-OD2 3.89Å; R57-D196 PolarHBondContact NH1-OD2 2.94Å; R66-D196 WeakPolarHBondContact CD-O 3.06Å; R66-D196 PolarHBondContact NH1-O 2.85Å; N194-D196 WeakPolarHBondContact CB-OD1 3.35Å; N194-D196 PolarHBondContact O-N 2.9Å
197	Q	58.9	Low	79.8	Confident	25 Å²	25	35.3 Å²	35.3	12%	0.117	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-93.6	-22.3	-170	-65.1	166.4	-35	0	0	115.2	D46 R66 N194 S195	D46-Q197 VanDerWaalsContact C-NE2 3.27Å; D46-Q197 PolarHBondContact O-NE2 3.45Å; R66-Q197 WeakPolarHBondContact CB-O 3.4Å; R66-Q197 PolarHBondContact N-O 3.38Å; R66-Q197 VanDerWaalsContact N-O 3.08Å; N194-Q197 PolarHBondContact O-N 3.26Å; N194-Q197 VanDerWaalsContact O-N 3.13Å; S195-Q197 PolarHBondContact O-N 3.35Å
198	V	62.6	Low	80.4	Confident	1 Å²	1	31.1 Å²	31.1	1%	0.006	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	169.7	-168.8	-93.3	0	0	0	0	113	R62 L64 W163 R193 N194 S195	R62-V198 VanDerWaalsContact CB-C 3.44Å; R62-V198 HydrophobicContact CB-CB 3.62Å; R62-V198 HydrophobicContact CB-CG2 3.45Å; R62-V198 VanDerWaalsContact CB-CG2 3.45Å; R62-V198 WeakPolarHBondContact CB-O 3.1Å; R62-V198 WeakPolarHBondContact CD-O 3.47Å; R62-V198 VanDerWaalsContact CG-O 3.31Å; R62-V198 WeakPolarHBondContact CG-O 3.43Å; L64-V198 CarbonylContact O-C 3.53Å; L64-V198 VanDerWaalsContact O-C 3.28Å; L64-V198 WeakPolarHBondContact O-CA 3.44Å; L64-V198 WeakPolarHBondContact O-CG1 3.36Å; W163-V198 HydrophobicContact CG-CG1 3.94Å; R193-V198 HydrophobicContact CB-CG2 3.62Å; R193-V198 HydrophobicContact CG-CG2 4.45Å; N194-V198 WeakPolarHBondContact O-CG2 3.28Å; S195-V198 PolarHBondContact O-N 3.3Å
199	T	73.7	Confident	81.2	Confident	35 Å²	35	27.7 Å²	27.7	22%	0.215	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	142.8	168.8	179.9	0	0	0	0	111	S63 L64 M201	S63-T199 VanDerWaalsContact N-C 3.35Å; S63-T199 PolarHBondContact N-O 2.88Å; L64-T199 HydrophobicContact CB-CG2 4.09Å; L64-T199 WeakPolarHBondContact CB-O 3.37Å; L64-T199 HydrophobicContact CD2-CG2 4.12Å; L64-T199 PolarHBondContact N-O 3.18Å; L64-T199 PolarHBondContact O-N 2.92Å; T199-M201 HydrophobicContact CG2-CG 4.27Å; T199-M201 HydrophobicContact CG2-SD 3.75Å; T199-M201 PolarHBondContact OG1-N 3.18Å
200	T	71.7	Confident	81.8	Confident	11 Å²	11	27.7 Å²	27.7	7%	0.067	15%	0.147	C	C	.	.			trans	-90.2	-11.6	174.7	39.3	0	0	0	0	112.9	R61 R62 N202 I203	R61-T200 HydrophobicContact CB-CG2 3.97Å; R61-T200 WeakPolarHBondContact O-CB 3.29Å; R61-T200 VanDerWaalsContact O-CG2 3.28Å; R61-T200 WeakPolarHBondContact O-CG2 3.47Å; R61-T200 PolarHBondContact O-OG1 3.42Å; R62-T200 VanDerWaalsContact CA-CG2 3.45Å; T200-N202 PolarHBondContact O-N 2.77Å; T200-N202 VanDerWaalsContact O-N 3.13Å; T200-I203 VanDerWaalsContact O-CB 3.26Å; T200-I203 WeakPolarHBondContact O-CB 3.44Å; T200-I203 PolarHBondContact O-N 2.94Å
201	M	79.5	Confident	82.4	Confident	65 Å²	65	26.9 Å²	26.9	32%	0.32	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	27.5	-168.3	-51.8	-61.1	-71.3	0	0	112.7	T199 I203 A254	T199-M201 HydrophobicContact CG2-CG 4.27Å; T199-M201 HydrophobicContact CG2-SD 3.75Å; T199-M201 PolarHBondContact OG1-N 3.18Å; M201-I203 VanDerWaalsContact C-N 3.26Å; M201-I203 HydrophobicContact CB-CD1 4.17Å; M201-I203 PolarHBondContact O-N 3.3Å; M201-A254 HydrophobicContact CB-CB 3.84Å; M201-A254 HydrophobicContact CE-CB 3.91Å; M201-A254 WeakPolarHBondContact CE-O 3.36Å; M201-A254 HydrophobicContact CG-CB 4.13Å
202	N	84.8	Confident	83.1	Confident	133 Å²	133	23.4 Å²	23.4	71%	0.711	13%	0.126	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.7	28.5	-174.3	-162.4	43.3	0	0	0	114.4	T200	T200-N202 PolarHBondContact O-N 2.77Å; T200-N202 VanDerWaalsContact O-N 3.13Å
203	I	92	Very high	83.8	Confident	13 Å²	13	22.7 Å²	22.7	7%	0.067	12%	0.122	C	C	.	.	P	Polyproline II helix	trans	-94.1	133.8	176.9	-66.6	167.4	0	0	0	109.9	R168 T200 M201 L247 A250 I251 A254	R168-I203 PolarHBondContact NH1-O 3.16Å; R168-I203 PolarHBondContact NH2-O 2.8Å; T200-I203 VanDerWaalsContact O-CB 3.26Å; T200-I203 WeakPolarHBondContact O-CB 3.44Å; T200-I203 PolarHBondContact O-N 2.94Å; M201-I203 VanDerWaalsContact C-N 3.26Å; M201-I203 HydrophobicContact CB-CD1 4.17Å; M201-I203 PolarHBondContact O-N 3.3Å; I203-L247 HydrophobicContact CG2-CB 4.01Å; I203-L247 HydrophobicContact CG2-CD1 4.19Å; I203-L247 HydrophobicContact CG2-CD2 3.74Å; I203-L247 HydrophobicContact CG2-CG 4.2Å; I203-A250 HydrophobicContact CD1-CB 3.74Å; I203-A250 WeakPolarHBondContact CD1-O 3.07Å; I203-I251 HydrophobicContact CB-CG1 4.04Å; I203-I251 VanDerWaalsContact CD1-CA 3.41Å; I203-I251 HydrophobicContact CD1-CB 4.05Å; I203-I251 HydrophobicContact CD1-CG1 3.46Å; I203-I251 VanDerWaalsContact CD1-CG1 3.46Å; I203-I251 VanDerWaalsContact CD1-N 3.28Å; I203-I251 HydrophobicContact CG1-CG1 4.34Å; I203-I251 HydrophobicContact CG2-CD1 4.33Å; I203-I251 HydrophobicContact CG2-CG1 3.95Å; I203-A254 HydrophobicContact CD1-CB 4.45Å
204	P	94.3	Very high	84.9	Confident	31 Å²	31	23 Å²	23	20%	0.201	13%	0.129	C	C	.	.	P	Polyproline II helix	trans	-64	172.2	-177.9	26.6	-35.9	0	0	0	112.5	R168 L247 P374	R168-P204 PolarHBondContact NH1-O 3.23Å; P204-L247 HydrophobicContact CG-CD1 3.72Å; P204-P374 HydrophobicContact CB-CG 4.42Å; P204-P374 HydrophobicContact CG-CG 4.04Å
205	Y	95.6	Very high	86.3	Confident	8 Å²	8	21.8 Å²	21.8	3%	0.031	12%	0.122	C	C	.	.	P	Polyproline II helix	trans	-75.2	133.9	173	-166.4	-80	0	0	0	109.3	Q165 Q166 R168 A171 F174 M207 H212	Q165-Y205 HydrophobicContact CG-CD1 4.49Å; Q165-Y205 HydrophobicContact CG-CE1 4.02Å; Q165-Y205 HydrophobicContact CG-CE2 4.06Å; Q165-Y205 WeakPolarHBondContact O-CE2 3.28Å; Q165-Y205 PolarHBondContact O-OH 3.01Å; Q166-Y205 WeakPolarHBondContact CA-OH 3.27Å; R168-Y205 HydrophobicContact CB-CD2 4.33Å; R168-Y205 HydrophobicContact CB-CE2 4.16Å; A171-Y205 HydrophobicContact CB-CE2 3.8Å; F174-Y205 HydrophobicContact CB-CD1 3.98Å; F174-Y205 HydrophobicContact CB-CE1 4.1Å; F174-Y205 HydrophobicContact CB-CG 4.29Å; F174-Y205 HydrophobicContact CD1-CD1 4.26Å; F174-Y205 HydrophobicContact CD1-CG 4.31Å; F174-Y205 HydrophobicContact CD2-CD1 4.09Å; F174-Y205 AromaticContact CD2-CD2 3.77Å; F174-Y205 HydrophobicContact CD2-CD2 3.77Å; F174-Y205 HydrophobicContact CD2-CE2 4.46Å; F174-Y205 AromaticContact CD2-CG 3.55Å; F174-Y205 HydrophobicContact CD2-CG 3.55Å; F174-Y205 HydrophobicContact CE2-CD2 4.2Å; F174-Y205 AromaticContact CE2-CG 3.9Å; F174-Y205 HydrophobicContact CE2-CG 3.9Å; F174-Y205 AromaticContact CG-CD1 3.85Å; F174-Y205 HydrophobicContact CG-CD1 3.85Å; F174-Y205 HydrophobicContact CG-CD2 4.34Å; F174-Y205 HydrophobicContact CG-CE1 4.45Å; F174-Y205 AromaticContact CG-CG 3.78Å; F174-Y205 HydrophobicContact CG-CG 3.78Å; F174-Y205 HydrophobicContact CZ-CG 4.41Å; Y205-M207 HydrophobicContact CD1-SD 4.14Å; Y205-M207 HydrophobicContact CE1-SD 3.7Å; Y205-H212 AromaticContact CE1-CD2 3.76Å; Y205-H212 AromaticContact CE1-NE2 3.69Å; Y205-H212 AromaticContact CZ-CD2 3.81Å; Y205-H212 AromaticContact CZ-NE2 3.61Å; Y205-H212 PolarHBondContact OH-CD2 3.19Å; Y205-H212 VanDerWaalsContact OH-CD2 3.22Å; Y205-H212 PolarHBondContact OH-NE2 2.76Å
206	D	97.8	Very high	87.8	Confident	2 Å²	2	21.9 Å²	21.9	1%	0.011	12%	0.122	C	C	.	.			trans	-113	119.7	177.2	-166.8	-4.8	0	0	0	110.6	Q165 G208 S245 L247 T375	Q165-D206 VanDerWaalsContact CG-O 3.28Å; Q165-D206 WeakPolarHBondContact CG-O 3.07Å; D206-G208 VanDerWaalsContact C-N 3.3Å; D206-G208 PolarHBondContact OD1-N 2.82Å; D206-S245 WeakPolarHBondContact OD2-CB 3.38Å; D206-S245 PolarHBondContact OD2-OG 3.22Å; D206-L247 HydrophobicContact CB-CB 4.16Å; D206-L247 HydrophobicContact CB-CD1 3.9Å; D206-T375 VanDerWaalsContact OD1-CB 3.3Å; D206-T375 WeakPolarHBondContact OD1-CB 3.39Å; D206-T375 PolarHBondContact OD1-N 2.93Å; D206-T375 PolarHBondContact OD1-OG1 3.37Å
207	M	97.9	Very high	89.3	Confident	11 Å²	11	19.8 Å²	19.8	5%	0.054	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-31.3	175.4	-67.9	-64	-159.2	0	0	111.6	F174 I175 Y205 T229 Y234 T237 I238	F174-M207 HydrophobicContact CB-CE 3.61Å; F174-M207 HydrophobicContact CB-SD 4.46Å; F174-M207 VanDerWaalsContact O-CE 3.28Å; F174-M207 WeakPolarHBondContact O-CE 3.24Å; I175-M207 HydrophobicContact CG2-CE 4.04Å; I175-M207 HydrophobicContact CG2-SD 4.03Å; Y205-M207 HydrophobicContact CD1-SD 4.14Å; Y205-M207 HydrophobicContact CE1-SD 3.7Å; M207-T229 HydrophobicContact CE-CG2 4.12Å; M207-T229 HydrophobicContact SD-CG2 4.21Å; M207-Y234 HydrophobicContact CB-CD1 3.65Å; M207-Y234 HydrophobicContact CB-CE1 4.33Å; M207-Y234 HydrophobicContact CB-CG 4.2Å; M207-Y234 HydrophobicContact CG-CD1 3.65Å; M207-Y234 HydrophobicContact CG-CE1 4.25Å; M207-Y234 HydrophobicContact CG-CG 3.8Å; M207-T237 HydrophobicContact CB-CG2 4.17Å; M207-I238 HydrophobicContact CB-CG2 4Å; M207-I238 HydrophobicContact CG-CG2 4.49Å; M207-I238 WeakPolarHBondContact O-CA 3.35Å; M207-I238 WeakPolarHBondContact O-CG2 3.44Å; M207-I238 HydrophobicContact SD-CG2 3.83Å
208	G	97.9	Very high	90.9	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	20.8	-178.7	0	0	0	0	0	113.7	D206 Q240	D206-G208 VanDerWaalsContact C-N 3.3Å; D206-G208 PolarHBondContact OD1-N 2.82Å; G208-Q240 WeakPolarHBondContact O-CG 3.39Å; G208-Q240 PolarHBondContact O-NE2 3.47Å
209	S	98.3	Very high	92.4	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.124	C	C	.	.			trans	-60.2	139.1	170.5	168.1	0	0	0	0	109.8	M211 H212 D248	S209-M211 PolarHBondContact O-N 2.91Å; S209-M211 WeakPolarHBondContact OG-CB 3.33Å; S209-M211 PolarHBondContact OG-N 2.83Å; S209-H212 WeakPolarHBondContact O-CB 3.44Å; S209-H212 PolarHBondContact O-N 3.47Å; S209-D248 WeakPolarHBondContact CA-OD2 3.46Å; S209-D248 WeakPolarHBondContact CB-OD1 3.4Å; S209-D248 PolarHBondContact OG-OD1 2.83Å; S209-D248 PolarHBondContact OG-OD2 2.95Å
210	V	97.6	Very high	93.3	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-22.1	173	77.8	0	0	0	0	110.8	G150 H154 H212 R241 P244 D248	G150-V210 WeakPolarHBondContact O-CG2 2.94Å; H154-V210 HydrophobicContact CB-CG1 4.43Å; H154-V210 HydrophobicContact CB-CG2 4.18Å; H154-V210 PolarHBondContact CE1-O 3.06Å; H154-V210 PolarHBondContact ND1-O 2.81Å; V210-H212 PolarHBondContact O-N 2.98Å; V210-R241 PolarHBondContact O-NH1 3.31Å; V210-R241 VanDerWaalsContact O-NH1 3.17Å; V210-P244 HydrophobicContact CG1-CB 4.05Å; V210-P244 HydrophobicContact CG1-CG 4.11Å; V210-D248 PolarHBondContact N-OD2 3.26Å
211	M	97.4	Very high	94.3	Very high	2 Å²	2	30.4 Å²	30.4	1%	0.01	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82	4.6	175.8	-46.4	-53	-57.8	0	0	113	H154 H158 L162 H164 Q165 S209	H154-M211 HydrophobicContact CB-SD 4.36Å; H158-M211 WeakPolarHBondContact CE1-CE 3.47Å; H158-M211 VanDerWaalsContact ND1-CE 3.31Å; H158-M211 WeakPolarHBondContact ND1-CE 3.4Å; L162-M211 HydrophobicContact CB-CE 4.15Å; L162-M211 HydrophobicContact CB-CG 4.06Å; L162-M211 HydrophobicContact CB-SD 4.31Å; L162-M211 HydrophobicContact CD1-CG 3.95Å; L162-M211 HydrophobicContact CD1-SD 4.22Å; H164-M211 CarbonylContact C-O 3.59Å; H164-M211 VanDerWaalsContact CA-O 3.25Å; H164-M211 WeakPolarHBondContact CA-O 3.24Å; H164-M211 PolarHBondContact CD2-O 3.43Å; H164-M211 VanDerWaalsContact CD2-O 3.28Å; Q165-M211 HydrophobicContact CB-CB 4.49Å; Q165-M211 PolarHBondContact N-O 3.16Å; S209-M211 PolarHBondContact O-N 2.91Å; S209-M211 WeakPolarHBondContact OG-CB 3.33Å; S209-M211 PolarHBondContact OG-N 2.83Å
212	H	97.6	Very high	94.6	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.174	C	C	.	.	S	Bend	trans	-91.4	136.2	176	-156.3	-61	0	0	0	110.8	Q165 Y205 S209 V210 G239 R241	Q165-H212 HydrophobicContact CB-CB 3.93Å; Q165-H212 HydrophobicContact CG-CB 4.4Å; Y205-H212 AromaticContact CE1-CD2 3.76Å; Y205-H212 AromaticContact CE1-NE2 3.69Å; Y205-H212 AromaticContact CZ-CD2 3.81Å; Y205-H212 AromaticContact CZ-NE2 3.61Å; Y205-H212 PolarHBondContact OH-CD2 3.19Å; Y205-H212 VanDerWaalsContact OH-CD2 3.22Å; Y205-H212 PolarHBondContact OH-NE2 2.76Å; S209-H212 WeakPolarHBondContact O-CB 3.44Å; S209-H212 PolarHBondContact O-N 3.47Å; V210-H212 PolarHBondContact O-N 2.98Å; H212-G239 WeakPolarHBondContact O-CA 3.4Å; H212-R241 PolarHBondContact O-NH1 2.76Å; H212-R241 PolarHBondContact O-NH2 2.79Å
213	Y	95.9	Very high	94.9	Very high	11 Å²	11	36.2 Å²	36.2	4%	0.043	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-64.7	150.8	167.8	-76.9	-6.4	0	0	0	113.4	E34 H164 Q166 F190 A217 F218 I227 G239	E34-Y213 VanDerWaalsContact CA-OH 3.24Å; E34-Y213 WeakPolarHBondContact CA-OH 3.39Å; E34-Y213 VanDerWaalsContact CB-OH 3.28Å; E34-Y213 WeakPolarHBondContact CB-OH 3.34Å; E34-Y213 PolarHBondContact O-OH 3.17Å; H164-Y213 AromaticContact CD2-CE1 3.63Å; H164-Y213 AromaticContact CE1-CE1 3.46Å; H164-Y213 VanDerWaalsContact CE1-CE1 3.46Å; H164-Y213 WeakPolarHBondContact CE1-CE1 3.44Å; H164-Y213 AromaticContact CE1-CZ 3.79Å; H164-Y213 AromaticContact CG-CE1 3.97Å; H164-Y213 AromaticContact ND1-CE1 3.88Å; H164-Y213 AromaticContact ND1-CZ 3.96Å; H164-Y213 AromaticContact NE2-CD1 3.99Å; H164-Y213 AromaticContact NE2-CE1 3.25Å; H164-Y213 VanDerWaalsContact NE2-CE1 3.25Å; H164-Y213 WeakPolarHBondContact NE2-CE1 3.01Å; Q166-Y213 VanDerWaalsContact CD-CD2 3.42Å; Q166-Y213 VanDerWaalsContact CD-CG 3.45Å; Q166-Y213 HydrophobicContact CG-CD2 3.87Å; Q166-Y213 HydrophobicContact CG-CE2 4.37Å; Q166-Y213 HydrophobicContact CG-CG 4.24Å; Q166-Y213 VanDerWaalsContact NE2-CG 3.33Å; F190-Y213 HydrophobicContact CE1-CD2 4.21Å; Y213-A217 HydrophobicContact CD2-CB 3.83Å; Y213-A217 HydrophobicContact CG-CB 3.96Å; Y213-F218 HydrophobicContact CD2-CE2 4.2Å; Y213-F218 HydrophobicContact CE2-CD2 4.13Å; Y213-F218 AromaticContact CE2-CE2 3.46Å; Y213-F218 HydrophobicContact CE2-CE2 3.46Å; Y213-F218 VanDerWaalsContact CE2-CE2 3.46Å; Y213-F218 HydrophobicContact CE2-CZ 4.49Å; Y213-F218 AromaticContact CZ-CE2 3.68Å; Y213-I227 HydrophobicContact CD2-CD1 4.29Å; Y213-I227 HydrophobicContact CG-CD1 4.49Å; Y213-G239 PolarHBondContact O-N 3.18Å
214	G	96.3	Very high	95.1	Very high	17 Å²	17	38.2 Å²	38.2	18%	0.175	18%	0.181	C	C	.	.	P	Polyproline II helix	trans	-71.2	165.8	168.6	0	0	0	0	0	112.9	T216 A217 G239	G214-T216 VanDerWaalsContact C-N 3.27Å; G214-T216 PolarHBondContact O-N 3.41Å; G214-A217 WeakPolarHBondContact O-CB 3.11Å; G214-A217 PolarHBondContact O-N 3.48Å; G214-G239 VanDerWaalsContact CA-CA 3.45Å
215	P	96.5	Very high	95.2	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-20.9	-172.7	25.3	-29.8	0	0	0	114.2	F225 T226 I227 I238 E358	P215-F225 HydrophobicContact CB-CD1 3.87Å; P215-F225 HydrophobicContact CB-CE1 4.22Å; P215-F225 HydrophobicContact CB-CG 4.21Å; P215-F225 HydrophobicContact CG-CD1 4.36Å; P215-F225 HydrophobicContact CG-CE1 4.29Å; P215-F225 CarbonylContact O-C 3.52Å; P215-F225 VanDerWaalsContact O-CA 3.26Å; P215-F225 WeakPolarHBondContact O-CA 3.3Å; P215-T226 PolarHBondContact O-N 2.04Å; P215-T226 PolarHBondContact O-OG1 3.24Å; P215-I227 PolarHBondContact O-N 2.98Å; P215-I238 HydrophobicContact CB-CD1 4.01Å; P215-I238 HydrophobicContact CB-CG1 4.32Å; P215-I238 HydrophobicContact CG-CG1 4.44Å; P215-E358 WeakPolarHBondContact CD-OE1 3.11Å; P215-E358 HydrophobicContact CG-CG 3.33Å; P215-E358 WeakPolarHBondContact CG-OE1 3.49Å
216	T	95.7	Very high	95.3	Very high	30 Å²	30	40 Å²	40	18%	0.184	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	10.3	177	62.7	0	0	0	0	114.5	G214 F218 S219 Y222 F225 E358	G214-T216 VanDerWaalsContact C-N 3.27Å; G214-T216 PolarHBondContact O-N 3.41Å; T216-F218 PolarHBondContact O-N 2.99Å; T216-S219 WeakPolarHBondContact O-CB 3.3Å; T216-S219 PolarHBondContact O-N 3.4Å; T216-Y222 WeakPolarHBondContact CG2-O 3.35Å; T216-F225 HydrophobicContact CG2-CD1 3.87Å; T216-F225 HydrophobicContact CG2-CE1 4.26Å; T216-E358 VanDerWaalsContact CB-OE1 3.27Å; T216-E358 WeakPolarHBondContact CB-OE1 3.46Å; T216-E358 VanDerWaalsContact CG2-CD 3.46Å; T216-E358 HydrophobicContact CG2-CG 4.48Å; T216-E358 WeakPolarHBondContact CG2-OE1 3.35Å; T216-E358 WeakPolarHBondContact CG2-OE2 3.4Å; T216-E358 PolarHBondContact N-OE1 3.14Å; T216-E358 VanDerWaalsContact OG1-CD 3.26Å; T216-E358 PolarHBondContact OG1-OE1 2.83Å; T216-E358 PolarHBondContact OG1-OE2 3.49Å; T216-E358 VanDerWaalsContact OG1-OE2 3.09Å
217	A	93	Very high	95.3	Very high	20 Å²	20	40 Å²	40	17%	0.165	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	129	-178.1	0	0	0	0	0	111.9	F190 Y213 G214 S219 T226	F190-A217 WeakPolarHBondContact CZ-O 3.3Å; Y213-A217 HydrophobicContact CD2-CB 3.83Å; Y213-A217 HydrophobicContact CG-CB 3.96Å; G214-A217 WeakPolarHBondContact O-CB 3.11Å; G214-A217 PolarHBondContact O-N 3.48Å; A217-S219 PolarHBondContact O-N 3.48Å; A217-S219 VanDerWaalsContact O-N 3.12Å; A217-T226 PolarHBondContact N-OG1 2.74Å; A217-T226 WeakPolarHBondContact O-CB 3.31Å; A217-T226 WeakPolarHBondContact O-CG2 3.42Å; A217-T226 PolarHBondContact O-OG1 3.23Å
218	F	92.4	Very high	95.3	Very high	54 Å²	54	41 Å²	41	24%	0.237	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	26.6	-176.5	-51.1	-78.6	0	0	0	115.2	V182 I183 Q186 N189 F190 Y213 T216	V182-F218 WeakPolarHBondContact CA-O 3.05Å; V182-F218 HydrophobicContact CG1-CB 4.29Å; I183-F218 WeakPolarHBondContact CG1-O 3.31Å; I183-F218 PolarHBondContact N-O 3.33Å; Q186-F218 HydrophobicContact CB-CB 4.21Å; Q186-F218 HydrophobicContact CB-CD1 4.37Å; Q186-F218 HydrophobicContact CB-CG 4.5Å; N189-F218 HydrophobicContact CB-CD2 3.94Å; N189-F218 HydrophobicContact CB-CE2 3.63Å; N189-F218 HydrophobicContact CB-CZ 3.97Å; N189-F218 WeakPolarHBondContact ND2-CE1 3.43Å; F190-F218 HydrophobicContact CE2-CB 4.12Å; F190-F218 HydrophobicContact CE2-CD2 4.02Å; F190-F218 HydrophobicContact CE2-CG 4.47Å; F190-F218 HydrophobicContact CZ-CB 4.31Å; F190-F218 AromaticContact CZ-CD2 3.91Å; F190-F218 HydrophobicContact CZ-CD2 3.91Å; Y213-F218 HydrophobicContact CD2-CE2 4.2Å; Y213-F218 HydrophobicContact CE2-CD2 4.13Å; Y213-F218 AromaticContact CE2-CE2 3.46Å; Y213-F218 HydrophobicContact CE2-CE2 3.46Å; Y213-F218 VanDerWaalsContact CE2-CE2 3.46Å; Y213-F218 HydrophobicContact CE2-CZ 4.49Å; Y213-F218 AromaticContact CZ-CE2 3.68Å; T216-F218 PolarHBondContact O-N 2.99Å
219	S	93.7	Very high	95.3	Very high	17 Å²	17	41.2 Å²	41.2	12%	0.119	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-70.2	142.2	177.1	-171.4	0	0	0	0	111.9	N181 I183 T216 A217 D221 L224	N181-S219 WeakPolarHBondContact O-CA 3.19Å; N181-S219 PolarHBondContact O-OG 3.26Å; I183-S219 WeakPolarHBondContact CD1-O 3.44Å; I183-S219 WeakPolarHBondContact CG1-O 3.33Å; T216-S219 WeakPolarHBondContact O-CB 3.3Å; T216-S219 PolarHBondContact O-N 3.4Å; A217-S219 PolarHBondContact O-N 3.48Å; A217-S219 VanDerWaalsContact O-N 3.12Å; S219-D221 WeakPolarHBondContact CB-O 3.28Å; S219-D221 PolarHBondContact O-N 3.28Å; S219-D221 PolarHBondContact OG-N 3.38Å; S219-D221 PolarHBondContact OG-O 2.92Å; S219-L224 WeakPolarHBondContact CB-O 3.4Å; S219-L224 PolarHBondContact OG-O 2.87Å
220	R	92.9	Very high	95.2	Very high	156 Å²	156	45.8 Å²	45.8	59%	0.589	22%	0.217	S	C	*	.	S	Bend	trans	-70.7	-16.5	171.8	72.6	-173	177.3	178.7	-9.6	113.2	E180 N181 I183 L224	E180-R220 PolarHBondContact O-NE 3.01Å; E180-R220 PolarHBondContact O-NH1 2.89Å; E180-R220 PolarHBondContact O-NH2 2.97Å; E180-R220 VanDerWaalsContact O-NH2 3.11Å; N181-R220 WeakPolarHBondContact O-CG 3.15Å; N181-R220 PolarHBondContact O-N 2.77Å; I183-R220 HydrophobicContact CG1-CB 4.27Å; R220-L224 HydrophobicContact CG-CD1 4.25Å
221	D	92.8	Very high	95.1	Very high	69 Å²	69	50.2 Å²	50.2	37%	0.369	24%	0.237	S	C	.	.	S	Bend	trans	-148.1	124.1	176.4	-179.2	-23.2	0	0	0	107.9	S219 K223 L224	S219-D221 WeakPolarHBondContact CB-O 3.28Å; S219-D221 PolarHBondContact O-N 3.28Å; S219-D221 PolarHBondContact OG-N 3.38Å; S219-D221 PolarHBondContact OG-O 2.92Å; D221-K223 PolarHBondContact O-N 3.34Å; D221-K223 PolarHBondContact OD1-N 2.95Å; D221-L224 HydrophobicContact CB-CD1 3.87Å; D221-L224 HydrophobicContact CB-CG 3.98Å; D221-L224 WeakPolarHBondContact O-CB 3.31Å; D221-L224 PolarHBondContact O-N 2.96Å
222	Y	86.6	Confident	94.9	Very high	174 Å²	174	59 Å²	59	68%	0.682	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-13.7	-176.6	67.2	-90.5	0	0	0	114.1	T216	T216-Y222 WeakPolarHBondContact CG2-O 3.35Å
223	K	91.3	Very high	94.7	Very high	146 Å²	146	59.9 Å²	59.9	64%	0.635	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-11	174.5	-60.3	-178.5	-177.2	177.7	0	114	D221	D221-K223 PolarHBondContact O-N 3.34Å; D221-K223 PolarHBondContact OD1-N 2.95Å
224	L	95.6	Very high	94.8	Very high	55 Å²	55	60.1 Å²	60.1	29%	0.288	29%	0.285	S	S	.	.	S	Bend	trans	-101.2	127.7	-176.4	-60.1	177.8	0	0	0	110.3	N181 S219 R220 D221	N181-L224 HydrophobicContact CB-CB 4.07Å; N181-L224 HydrophobicContact CB-CD1 4.46Å; S219-L224 WeakPolarHBondContact CB-O 3.4Å; S219-L224 PolarHBondContact OG-O 2.87Å; R220-L224 HydrophobicContact CG-CD1 4.25Å; D221-L224 HydrophobicContact CB-CD1 3.87Å; D221-L224 HydrophobicContact CB-CG 3.98Å; D221-L224 WeakPolarHBondContact O-CB 3.31Å; D221-L224 PolarHBondContact O-N 2.96Å
225	F	96.9	Very high	94.8	Very high	77 Å²	77	60.5 Å²	60.5	34%	0.338	28%	0.282	S	S	.	.			trans	-73.6	133.5	170.1	-59.9	-26	0	0	0	110.6	N181 P215 T216 V228 Q235	N181-F225 WeakPolarHBondContact CB-O 3.33Å; N181-F225 PolarHBondContact ND2-O 3.3Å; P215-F225 HydrophobicContact CB-CD1 3.87Å; P215-F225 HydrophobicContact CB-CE1 4.22Å; P215-F225 HydrophobicContact CB-CG 4.21Å; P215-F225 HydrophobicContact CG-CD1 4.36Å; P215-F225 HydrophobicContact CG-CE1 4.29Å; P215-F225 CarbonylContact O-C 3.52Å; P215-F225 VanDerWaalsContact O-CA 3.26Å; P215-F225 WeakPolarHBondContact O-CA 3.3Å; T216-F225 HydrophobicContact CG2-CD1 3.87Å; T216-F225 HydrophobicContact CG2-CE1 4.26Å; F225-V228 HydrophobicContact CB-CG2 4.13Å; F225-Q235 HydrophobicContact CD2-CG 4.5Å; F225-Q235 HydrophobicContact CE2-CG 4.02Å
226	T	97.4	Very high	94.7	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	29%	0.288	C	S	.	.	S	Bend	trans	-96.1	-28.1	167.1	53.1	0	0	0	0	111.1	I177 L178 N181 V182 P215 A217	I177-T226 CarbonylContact C-O 3.49Å; I177-T226 VanDerWaalsContact CA-O 3.31Å; I177-T226 WeakPolarHBondContact CA-O 3.43Å; L178-T226 PolarHBondContact N-O 3.35Å; N181-T226 HydrophobicContact CB-CG2 4.14Å; V182-T226 HydrophobicContact CB-CG2 4.49Å; V182-T226 HydrophobicContact CG2-CG2 3.75Å; P215-T226 PolarHBondContact O-N 2.04Å; P215-T226 PolarHBondContact O-OG1 3.24Å; A217-T226 PolarHBondContact N-OG1 2.74Å; A217-T226 WeakPolarHBondContact O-CB 3.31Å; A217-T226 WeakPolarHBondContact O-CG2 3.42Å; A217-T226 PolarHBondContact O-OG1 3.23Å
227	I	97.6	Very high	94.8	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	121.6	174.9	-46.8	-177	0	0	0	109.9	Q166 I175 I177 F190 Y213 P215 Q235 I238	Q166-I227 HydrophobicContact CB-CD1 4.44Å; Q166-I227 HydrophobicContact CG-CD1 4.33Å; I175-I227 HydrophobicContact CB-CG2 3.92Å; I175-I227 HydrophobicContact CD1-CG2 3.83Å; I175-I227 HydrophobicContact CG1-CG2 4.46Å; I175-I227 HydrophobicContact CG2-CG2 4.04Å; I177-I227 HydrophobicContact CD1-CB 4.36Å; I177-I227 HydrophobicContact CD1-CD1 4.42Å; I177-I227 HydrophobicContact CD1-CG1 3.84Å; I177-I227 HydrophobicContact CD1-CG2 4.16Å; F190-I227 HydrophobicContact CD1-CG1 4.5Å; F190-I227 HydrophobicContact CE1-CD1 3.91Å; F190-I227 HydrophobicContact CE1-CG1 3.77Å; Y213-I227 HydrophobicContact CD2-CD1 4.29Å; Y213-I227 HydrophobicContact CG-CD1 4.49Å; P215-I227 PolarHBondContact O-N 2.98Å; I227-Q235 PolarHBondContact O-NE2 3.29Å; I227-I238 HydrophobicContact CB-CD1 4.03Å; I227-I238 HydrophobicContact CG2-CD1 3.79Å
228	V	97.9	Very high	95.1	Very high	33 Å²	33	59.8 Å²	59.8	20%	0.2	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	125.3	175.8	-179.7	0	0	0	0	109.7	I175 R176 L178 F225	I175-V228 CarbonylContact C-O 3.6Å; I175-V228 WeakPolarHBondContact CA-O 3.39Å; R176-V228 PolarHBondContact N-O 3.43Å; R176-V228 PolarHBondContact O-N 3.48Å; L178-V228 HydrophobicContact CD1-CG2 3.61Å; L178-V228 HydrophobicContact CG-CG2 4Å; F225-V228 HydrophobicContact CB-CG2 4.13Å
229	T	97.7	Very high	95.3	Very high	4 Å²	4	57.8 Å²	57.8	3%	0.025	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	138.9	173.5	60.4	0	0	0	0	110.8	I175 M207 K231 Q235 I238	I175-T229 HydrophobicContact CG2-CG2 4.3Å; M207-T229 HydrophobicContact CE-CG2 4.12Å; M207-T229 HydrophobicContact SD-CG2 4.21Å; T229-K231 PolarHBondContact OG1-O 3.23Å; T229-Q235 WeakPolarHBondContact OG1-CA 3.43Å; T229-Q235 PolarHBondContact OG1-N 3.34Å; T229-Q235 PolarHBondContact OG1-OE1 3.34Å; T229-I238 HydrophobicContact CG2-CD1 4.05Å; T229-I238 HydrophobicContact CG2-CG1 4.44Å; T229-I238 HydrophobicContact CG2-CG2 3.79Å
230	L	97.2	Very high	95.4	Very high	97 Å²	97	57.3 Å²	57.3	51%	0.508	26%	0.262	S	S	.	.	S	Bend	trans	-70.6	-35.5	178.8	-63.8	-175.6	0	0	0	111.7	F174 R176	F174-L230 WeakPolarHBondContact O-CB 3.33Å; F174-L230 WeakPolarHBondContact O-CG 3.43Å; F174-L230 PolarHBondContact O-N 3.31Å; R176-L230 HydrophobicContact CB-CD2 4.27Å
231	K	94.1	Very high	95.5	Very high	93 Å²	93	53.8 Å²	53.8	40%	0.404	25%	0.248	S	C	.	.	S	Bend	trans	-95.1	105.8	169.3	-76.3	-174.2	176.9	-170.6	0	108.5	T229 G233 Y234 E369	T229-K231 PolarHBondContact OG1-O 3.23Å; K231-G233 PolarHBondContact O-N 3.43Å; K231-G233 VanDerWaalsContact O-N 3.08Å; K231-Y234 HydrophobicContact CB-CD2 3.64Å; K231-Y234 HydrophobicContact CB-CE2 4.09Å; K231-Y234 HydrophobicContact CD-CD2 4.4Å; K231-Y234 HydrophobicContact CD-CE2 3.99Å; K231-Y234 PolarHBondContact O-N 2.94Å; K231-E369 IonicContact NZ-OE1 3.16Å; K231-E369 PolarHBondContact NZ-OE1 3.06Å; K231-E369 IonicContact NZ-OE2 3.5Å; K231-E369 PolarHBondContact NZ-OE2 2.96Å
232	K	93.6	Very high	95.5	Very high	186 Å²	186	54.2 Å²	54.2	81%	0.809	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-52.9	-33.8	-171	-65.3	-174.4	178.3	-175.9	0	115.1	Y234 Q235	K232-Y234 PolarHBondContact O-N 3.19Å; K232-Y234 VanDerWaalsContact O-N 3.12Å; K232-Q235 VanDerWaalsContact O-CB 3.28Å; K232-Q235 WeakPolarHBondContact O-CB 3.28Å; K232-Q235 PolarHBondContact O-N 3.44Å
233	G	93.8	Very high	96	Very high	18 Å²	18	47.5 Å²	47.5	19%	0.186	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-62.7	-16.1	179.2	0	0	0	0	0	114.3	K231 M377 R378	K231-G233 PolarHBondContact O-N 3.43Å; K231-G233 VanDerWaalsContact O-N 3.08Å; G233-M377 WeakPolarHBondContact O-CA 3.49Å; G233-M377 WeakPolarHBondContact O-CB 3.42Å; G233-R378 PolarHBondContact O-N 2.87Å
234	Y	96.8	Very high	96.3	Very high	17 Å²	17	40.8 Å²	40.8	7%	0.067	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-88.6	-5.1	175.2	-71.8	-77.3	0	0	0	113.8	M207 K231 K232 R236 T237 I238 E369 T375 G376 M377	M207-Y234 HydrophobicContact CB-CD1 3.65Å; M207-Y234 HydrophobicContact CB-CE1 4.33Å; M207-Y234 HydrophobicContact CB-CG 4.2Å; M207-Y234 HydrophobicContact CG-CD1 3.65Å; M207-Y234 HydrophobicContact CG-CE1 4.25Å; M207-Y234 HydrophobicContact CG-CG 3.8Å; K231-Y234 HydrophobicContact CB-CD2 3.64Å; K231-Y234 HydrophobicContact CB-CE2 4.09Å; K231-Y234 HydrophobicContact CD-CD2 4.4Å; K231-Y234 HydrophobicContact CD-CE2 3.99Å; K231-Y234 PolarHBondContact O-N 2.94Å; K232-Y234 PolarHBondContact O-N 3.19Å; K232-Y234 VanDerWaalsContact O-N 3.12Å; Y234-R236 PolarHBondContact O-N 3.29Å; Y234-R236 VanDerWaalsContact O-N 3.16Å; Y234-T237 HydrophobicContact CD1-CG2 4.33Å; Y234-T237 VanDerWaalsContact O-CB 3.24Å; Y234-T237 WeakPolarHBondContact O-CB 3.33Å; Y234-T237 PolarHBondContact O-N 3.44Å; Y234-T237 PolarHBondContact O-OG1 2.02Å; Y234-I238 PolarHBondContact O-N 2.67Å; Y234-E369 WeakPolarHBondContact OH-CG 3.07Å; Y234-T375 VanDerWaalsContact CE1-O 3.3Å; Y234-T375 WeakPolarHBondContact CE1-O 3.37Å; Y234-G376 WeakPolarHBondContact CE1-O 3.41Å; Y234-M377 HydrophobicContact CD1-CG 4Å; Y234-M377 HydrophobicContact CD2-CG 3.61Å; Y234-M377 HydrophobicContact CD2-SD 4.31Å; Y234-M377 HydrophobicContact CE1-CG 3.86Å; Y234-M377 HydrophobicContact CE2-CG 3.47Å; Y234-M377 VanDerWaalsContact CE2-CG 3.47Å; Y234-M377 HydrophobicContact CE2-SD 4.08Å; Y234-M377 HydrophobicContact CG-CG 3.9Å
235	Q	96.9	Very high	96.4	Very high	24 Å²	24	38.5 Å²	38.5	11%	0.112	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-34.8	-170.9	-170.8	62	35.9	0	0	112.7	F225 I227 T229 K232	F225-Q235 HydrophobicContact CD2-CG 4.5Å; F225-Q235 HydrophobicContact CE2-CG 4.02Å; I227-Q235 PolarHBondContact O-NE2 3.29Å; T229-Q235 WeakPolarHBondContact OG1-CA 3.43Å; T229-Q235 PolarHBondContact OG1-N 3.34Å; T229-Q235 PolarHBondContact OG1-OE1 3.34Å; K232-Q235 VanDerWaalsContact O-CB 3.28Å; K232-Q235 WeakPolarHBondContact O-CB 3.28Å; K232-Q235 PolarHBondContact O-N 3.44Å
236	R	95.7	Very high	96.5	Very high	36 Å²	36	35.2 Å²	35.2	14%	0.136	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	7.8	177.1	-54.8	-168.8	178.5	-91.6	3.7	114	Y234 S357 E358 C360 C381 E383 D384	Y234-R236 PolarHBondContact O-N 3.29Å; Y234-R236 VanDerWaalsContact O-N 3.16Å; R236-S357 VanDerWaalsContact NH1-C 3.32Å; R236-S357 PolarHBondContact NH1-O 2.79Å; R236-E358 WeakPolarHBondContact CA-O 3.31Å; R236-C360 WeakPolarHBondContact CB-SG 3.26Å; R236-C360 PolarHBondContact O-N 3.4Å; R236-C381 PolarHBondContact NE-SG 3.4Å; R236-C381 PolarHBondContact NH1-SG 3.12Å; R236-C381 VanDerWaalsContact NH1-SG 3.44Å; R236-C381 PolarHBondContact NH2-SG 2.73Å; R236-C381 VanDerWaalsContact NH2-SG 3.4Å; R236-E383 IonicContact NH2-OE1 2.73Å; R236-D384 IonicContact CZ-OD2 3.37Å; R236-D384 IonicContact NE-OD2 3.77Å; R236-D384 PolarHBondContact NE-OD2 3.1Å; R236-D384 IonicContact NH2-OD2 3.35Å; R236-D384 PolarHBondContact NH2-OD2 3.24Å
237	T	97.8	Very high	96.5	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-36.9	175.9	-50.8	0	0	0	0	111.6	M207 Y234 T375 G376 R378	M207-T237 HydrophobicContact CB-CG2 4.17Å; Y234-T237 HydrophobicContact CD1-CG2 4.33Å; Y234-T237 VanDerWaalsContact O-CB 3.24Å; Y234-T237 WeakPolarHBondContact O-CB 3.33Å; Y234-T237 PolarHBondContact O-N 3.44Å; Y234-T237 PolarHBondContact O-OG1 2.02Å; T237-T375 HydrophobicContact CG2-CG2 3.59Å; T237-G376 WeakPolarHBondContact CG2-O 3.45Å; T237-G376 PolarHBondContact OG1-O 2.85Å; T237-R378 HydrophobicContact CG2-CG 4.26Å; T237-R378 PolarHBondContact OG1-N 2.64Å; T237-R378 VanDerWaalsContact OG1-N 3.11Å
238	I	98.2	Very high	96.6	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	143.4	-178.8	68	171.4	0	0	0	111	M207 P215 I227 T229 Y234 T359	M207-I238 HydrophobicContact CB-CG2 4Å; M207-I238 HydrophobicContact CG-CG2 4.49Å; M207-I238 WeakPolarHBondContact O-CA 3.35Å; M207-I238 WeakPolarHBondContact O-CG2 3.44Å; M207-I238 HydrophobicContact SD-CG2 3.83Å; P215-I238 HydrophobicContact CB-CD1 4.01Å; P215-I238 HydrophobicContact CB-CG1 4.32Å; P215-I238 HydrophobicContact CG-CG1 4.44Å; I227-I238 HydrophobicContact CB-CD1 4.03Å; I227-I238 HydrophobicContact CG2-CD1 3.79Å; T229-I238 HydrophobicContact CG2-CD1 4.05Å; T229-I238 HydrophobicContact CG2-CG1 4.44Å; T229-I238 HydrophobicContact CG2-CG2 3.79Å; Y234-I238 PolarHBondContact O-N 2.67Å; I238-T359 WeakPolarHBondContact O-CG2 3.22Å; I238-T359 PolarHBondContact O-OG1 3.11Å
239	G	96.9	Very high	96.6	Very high	11 Å²	11	34.3 Å²	34.3	11%	0.113	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.8	4.2	178	0	0	0	0	0	115.7	H212 Y213 G214 R241	H212-G239 WeakPolarHBondContact O-CA 3.4Å; Y213-G239 PolarHBondContact O-N 3.18Å; G214-G239 VanDerWaalsContact CA-CA 3.45Å; G239-R241 PolarHBondContact O-NH1 3.26Å
240	Q	96.2	Very high	96.5	Very high	8 Å²	8	34.6 Å²	34.6	4%	0.037	17%	0.169	C	C	.	.			trans	-59.8	144.8	-178.3	70.9	79.6	13.9	0	0	111	G208 S243 T359	G208-Q240 WeakPolarHBondContact O-CG 3.39Å; G208-Q240 PolarHBondContact O-NE2 3.47Å; Q240-S243 PolarHBondContact NE2-O 3.06Å; Q240-S243 PolarHBondContact OE1-O 2.65Å; Q240-T359 HydrophobicContact CB-CG2 3.97Å
241	R	94.4	Very high	96.4	Very high	82 Å²	82	30.1 Å²	30.1	31%	0.309	15%	0.145	S	C	.	.			trans	-130.6	33.1	177.2	-64.5	-64.6	-178.4	-88.5	6.5	111.1	G150 V151 V210 H212 G239	G150-R241 VanDerWaalsContact CA-O 3.24Å; G150-R241 WeakPolarHBondContact CA-O 3.45Å; G150-R241 PolarHBondContact N-O 3.25Å; V151-R241 HydrophobicContact CG2-CB 4.43Å; V151-R241 HydrophobicContact CG2-CG 4.34Å; V210-R241 PolarHBondContact O-NH1 3.31Å; V210-R241 VanDerWaalsContact O-NH1 3.17Å; H212-R241 PolarHBondContact O-NH1 2.76Å; H212-R241 PolarHBondContact O-NH2 2.79Å; G239-R241 PolarHBondContact O-NH1 3.26Å
242	E	93.9	Very high	96.5	Very high	77 Å²	77	25.7 Å²	25.7	36%	0.36	13%	0.126	S	C	.	.	S	Bend	trans	-78.2	-56.7	175	-172.5	-166.2	152.2	0	0	110	F149 Y363 H402	F149-E242 VanDerWaalsContact CD1-O 3.28Å; F149-E242 WeakPolarHBondContact CD1-O 3.33Å; E242-Y363 PolarHBondContact OE2-OH 3.33Å; E242-H402 IonicContact OE1-CE1 3.49Å; E242-H402 PolarHBondContact OE1-CE1 3.1Å; E242-H402 IonicContact OE1-ND1 3.64Å; E242-H402 IonicContact OE1-NE2 3.95Å; E242-H402 IonicContact OE2-CE1 2.95Å; E242-H402 IonicContact OE2-NE2 3.72Å
243	S	95.9	Very high	96.7	Very high	33 Å²	33	17.1 Å²	17.1	23%	0.231	9%	0.089	C	C	.	.			trans	-167.2	164.5	179.6	62.3	0	0	0	0	111.7	Q240 S245	Q240-S243 PolarHBondContact NE2-O 3.06Å; Q240-S243 PolarHBondContact OE1-O 2.65Å; S243-S245 PolarHBondContact O-N 3.4Å
244	P	98.2	Very high	96.7	Very high	5 Å²	5	17.7 Å²	17.7	3%	0.032	9%	0.092	C	C	.	.			trans	-58.1	135	169.6	-22.7	34.4	0	0	0	111.5	F99 W100 T153 V210 D248	F99-P244 HydrophobicContact CD1-CG 4.03Å; F99-P244 HydrophobicContact CE1-CB 3.72Å; F99-P244 VanDerWaalsContact CE1-CD 3.5Å; F99-P244 HydrophobicContact CE1-CG 3.44Å; F99-P244 VanDerWaalsContact CE1-CG 3.44Å; F99-P244 HydrophobicContact CZ-CB 4.16Å; F99-P244 HydrophobicContact CZ-CG 4.13Å; W100-P244 HydrophobicContact CH2-CB 4.2Å; W100-P244 HydrophobicContact CH2-CG 4.4Å; W100-P244 HydrophobicContact CZ2-CB 4.09Å; W100-P244 HydrophobicContact CZ2-CG 3.8Å; T153-P244 HydrophobicContact CG2-CG 4.26Å; T153-P244 WeakPolarHBondContact OG1-CD 3.35Å; V210-P244 HydrophobicContact CG1-CB 4.05Å; V210-P244 HydrophobicContact CG1-CG 4.11Å; P244-D248 HydrophobicContact CB-CB 3.97Å
245	S	98.2	Very high	96.5	Very high	7 Å²	7	17.2 Å²	17.2	5%	0.049	9%	0.092	C	C	.	.			trans	-72.5	168.3	-180	84.1	0	0	0	0	111.9	D206 S243 L247 D248 L249	D206-S245 WeakPolarHBondContact OD2-CB 3.38Å; D206-S245 PolarHBondContact OD2-OG 3.22Å; S243-S245 PolarHBondContact O-N 3.4Å; S245-L247 PolarHBondContact O-N 2.77Å; S245-L247 PolarHBondContact OG-N 3.2Å; S245-L247 VanDerWaalsContact OG-N 3.16Å; S245-D248 PolarHBondContact N-OD2 2.97Å; S245-D248 WeakPolarHBondContact O-CB 3.4Å; S245-D248 PolarHBondContact O-N 3.01Å; S245-D248 VanDerWaalsContact O-N 3.16Å; S245-D248 PolarHBondContact OG-N 3.17Å; S245-D248 PolarHBondContact OG-OD2 2.82Å; S245-L249 PolarHBondContact O-N 3.21Å; S245-L249 VanDerWaalsContact O-N 3.17Å
246	F	98.3	Very high	96.4	Very high	9 Å²	9	16.8 Å²	16.8	4%	0.039	9%	0.089	C	C	.	.	H	α-helix	trans	-54	-35.4	171.6	174.2	-103.7	0	0	0	112.5	A250 Y271 L281 C282 P283 R373	F246-A250 WeakPolarHBondContact O-CB 3.19Å; F246-A250 PolarHBondContact O-N 3.11Å; F246-Y271 HydrophobicContact CD2-CE1 4.42Å; F246-Y271 HydrophobicContact CE1-CD1 4.47Å; F246-Y271 HydrophobicContact CE1-CE1 4.15Å; F246-Y271 HydrophobicContact CE2-CD1 4Å; F246-Y271 AromaticContact CE2-CE1 3.48Å; F246-Y271 HydrophobicContact CE2-CE1 3.48Å; F246-Y271 VanDerWaalsContact CE2-CE1 3.48Å; F246-Y271 AromaticContact CZ-CD1 3.54Å; F246-Y271 HydrophobicContact CZ-CD1 3.54Å; F246-Y271 AromaticContact CZ-CE1 3.32Å; F246-Y271 HydrophobicContact CZ-CE1 3.32Å; F246-L281 HydrophobicContact CD2-CD2 4.42Å; F246-L281 HydrophobicContact CD2-CG 4.42Å; F246-L281 HydrophobicContact CE2-CD2 4.31Å; F246-L281 HydrophobicContact CE2-CG 4.18Å; F246-C282 VanDerWaalsContact CD2-C 3.46Å; F246-C282 WeakPolarHBondContact CD2-O 3.48Å; F246-C282 VanDerWaalsContact CE2-C 3.43Å; F246-P283 HydrophobicContact CD1-CB 4.04Å; F246-P283 HydrophobicContact CD1-CG 4.01Å; F246-P283 HydrophobicContact CE1-CB 4.34Å; F246-P283 HydrophobicContact CE1-CG 3.78Å; F246-P283 HydrophobicContact CE2-CG 4.39Å; F246-P283 HydrophobicContact CG-CB 4.19Å; F246-P283 HydrophobicContact CG-CG 4.43Å; F246-P283 HydrophobicContact CZ-CG 3.96Å; F246-R373 HydrophobicContact CD1-CB 3.98Å; F246-R373 HydrophobicContact CD1-CG 4.42Å; F246-R373 HydrophobicContact CE1-CB 3.87Å; F246-R373 HydrophobicContact CE1-CG 3.82Å
247	L	97.9	Very high	96.4	Very high	2 Å²	2	15.5 Å²	15.5	1%	0.01	9%	0.086	C	C	.	.	H	α-helix	trans	-80.6	-27.9	-179	-67.4	-172.6	0	0	0	113.4	I203 P204 D206 S245 L249 A250 I251 R373 P374	I203-L247 HydrophobicContact CG2-CB 4.01Å; I203-L247 HydrophobicContact CG2-CD1 4.19Å; I203-L247 HydrophobicContact CG2-CD2 3.74Å; I203-L247 HydrophobicContact CG2-CG 4.2Å; P204-L247 HydrophobicContact CG-CD1 3.72Å; D206-L247 HydrophobicContact CB-CB 4.16Å; D206-L247 HydrophobicContact CB-CD1 3.9Å; S245-L247 PolarHBondContact O-N 2.77Å; S245-L247 PolarHBondContact OG-N 3.2Å; S245-L247 VanDerWaalsContact OG-N 3.16Å; L247-L249 VanDerWaalsContact C-N 3.32Å; L247-A250 HydrophobicContact CD2-CB 4.17Å; L247-A250 PolarHBondContact O-N 2.84Å; L247-I251 VanDerWaalsContact O-CG1 3.3Å; L247-I251 WeakPolarHBondContact O-CG1 3.36Å; L247-I251 PolarHBondContact O-N 3.02Å; L247-R373 HydrophobicContact CD1-CB 4.48Å; L247-R373 HydrophobicContact CD2-CB 3.73Å; L247-R373 HydrophobicContact CG-CB 4.35Å; L247-P374 HydrophobicContact CD1-CB 3.97Å; L247-P374 HydrophobicContact CD1-CG 3.82Å
248	D	98.1	Very high	96.1	Very high	2 Å²	2	20 Å²	20	1%	0.011	12%	0.118	C	C	.	.	H	α-helix	trans	-59.7	-47	168.2	-63.1	-36.7	0	0	0	110	L162 S209 V210 P244 S245 I251 I252	L162-D248 HydrophobicContact CD1-CB 4.36Å; S209-D248 WeakPolarHBondContact CA-OD2 3.46Å; S209-D248 WeakPolarHBondContact CB-OD1 3.4Å; S209-D248 PolarHBondContact OG-OD1 2.83Å; S209-D248 PolarHBondContact OG-OD2 2.95Å; V210-D248 PolarHBondContact N-OD2 3.26Å; P244-D248 HydrophobicContact CB-CB 3.97Å; S245-D248 PolarHBondContact N-OD2 2.97Å; S245-D248 WeakPolarHBondContact O-CB 3.4Å; S245-D248 PolarHBondContact O-N 3.01Å; S245-D248 VanDerWaalsContact O-N 3.16Å; S245-D248 PolarHBondContact OG-N 3.17Å; S245-D248 PolarHBondContact OG-OD2 2.82Å; D248-I251 PolarHBondContact O-N 2.82Å; D248-I252 PolarHBondContact O-N 2.9Å
249	L	97.9	Very high	95.9	Very high	9 Å²	9	25.3 Å²	25.3	5%	0.047	15%	0.146	C	C	.	.	H	α-helix	trans	-62.9	-43.2	174.6	-63.8	174	0	0	0	112	F99 W100 N103 T104 S245 L247 I251 I252 N253 L281	F99-L249 HydrophobicContact CE1-CD2 3.91Å; F99-L249 HydrophobicContact CZ-CD1 4.23Å; F99-L249 HydrophobicContact CZ-CD2 4.36Å; W100-L249 HydrophobicContact CE3-CD2 3.98Å; W100-L249 HydrophobicContact CZ3-CD2 3.81Å; N103-L249 HydrophobicContact CB-CD1 3.79Å; N103-L249 HydrophobicContact CB-CD2 3.67Å; N103-L249 HydrophobicContact CB-CG 4.35Å; T104-L249 HydrophobicContact CG2-CD2 4.22Å; S245-L249 PolarHBondContact O-N 3.21Å; S245-L249 VanDerWaalsContact O-N 3.17Å; L247-L249 VanDerWaalsContact C-N 3.32Å; L249-I251 VanDerWaalsContact C-N 3.3Å; L249-I251 PolarHBondContact O-N 3.11Å; L249-I252 PolarHBondContact O-N 3.3Å; L249-N253 VanDerWaalsContact O-CB 3.3Å; L249-N253 WeakPolarHBondContact O-CB 3.31Å; L249-N253 PolarHBondContact O-N 3.29Å; L249-N253 PolarHBondContact O-ND2 2.91Å; L249-L281 HydrophobicContact CB-CD2 4.42Å; L249-L281 HydrophobicContact CD1-CD2 4.2Å
250	A	96.9	Very high	95.7	Very high	10 Å²	10	30.3 Å²	30.3	8%	0.083	16%	0.161	C	C	.	.	H	α-helix	trans	-60.6	-38.8	179.9	0	0	0	0	0	112.2	I203 F246 L247 A254 Y271	I203-A250 HydrophobicContact CD1-CB 3.74Å; I203-A250 WeakPolarHBondContact CD1-O 3.07Å; F246-A250 WeakPolarHBondContact O-CB 3.19Å; F246-A250 PolarHBondContact O-N 3.11Å; L247-A250 HydrophobicContact CD2-CB 4.17Å; L247-A250 PolarHBondContact O-N 2.84Å; A250-A254 WeakPolarHBondContact O-CB 3.08Å; A250-A254 PolarHBondContact O-N 2.67Å; A250-Y271 VanDerWaalsContact CA-OH 3.29Å; A250-Y271 WeakPolarHBondContact CA-OH 3.37Å; A250-Y271 HydrophobicContact CB-CE1 3.8Å; A250-Y271 PolarHBondContact N-OH 3.32Å
251	I	95.5	Very high	95.7	Very high	3 Å²	3	31.2 Å²	31.2	2%	0.015	17%	0.168	C	C	.	.	H	α-helix	trans	-64.2	-47.9	178	-68.6	162.8	0	0	0	110.2	S63 L64 L162 I203 L247 D248 L249 A255	S63-I251 WeakPolarHBondContact OG-CD1 3.47Å; L64-I251 HydrophobicContact CB-CG2 3.74Å; L64-I251 HydrophobicContact CD1-CG2 4.01Å; L64-I251 HydrophobicContact CD2-CG2 4.37Å; L64-I251 HydrophobicContact CG-CG2 4.26Å; L162-I251 HydrophobicContact CD2-CB 4.05Å; L162-I251 HydrophobicContact CD2-CD1 4.47Å; L162-I251 HydrophobicContact CD2-CG2 3.56Å; I203-I251 HydrophobicContact CB-CG1 4.04Å; I203-I251 VanDerWaalsContact CD1-CA 3.41Å; I203-I251 HydrophobicContact CD1-CB 4.05Å; I203-I251 HydrophobicContact CD1-CG1 3.46Å; I203-I251 VanDerWaalsContact CD1-CG1 3.46Å; I203-I251 VanDerWaalsContact CD1-N 3.28Å; I203-I251 HydrophobicContact CG1-CG1 4.34Å; I203-I251 HydrophobicContact CG2-CD1 4.33Å; I203-I251 HydrophobicContact CG2-CG1 3.95Å; L247-I251 VanDerWaalsContact O-CG1 3.3Å; L247-I251 WeakPolarHBondContact O-CG1 3.36Å; L247-I251 PolarHBondContact O-N 3.02Å; D248-I251 PolarHBondContact O-N 2.82Å; L249-I251 VanDerWaalsContact C-N 3.3Å; L249-I251 PolarHBondContact O-N 3.11Å; I251-A255 WeakPolarHBondContact O-CB 3.37Å; I251-A255 PolarHBondContact O-N 2.82Å; I251-A255 VanDerWaalsContact O-N 3.12Å
252	I	96.3	Very high	95.7	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-64.5	-45	178.1	-65.7	-54.1	0	0	0	111.2	L64 W100 T104 L106 L160 L162 D248 L249 A254 A255 Y256	L64-I252 HydrophobicContact CD1-CD1 3.91Å; W100-I252 HydrophobicContact CH2-CG1 4.11Å; W100-I252 HydrophobicContact CZ3-CB 4.18Å; W100-I252 HydrophobicContact CZ3-CG1 3.67Å; W100-I252 HydrophobicContact CZ3-CG2 4.46Å; T104-I252 HydrophobicContact CG2-CB 4.49Å; T104-I252 HydrophobicContact CG2-CG2 3.82Å; L106-I252 HydrophobicContact CD1-CG2 3.81Å; L160-I252 HydrophobicContact CB-CD1 3.75Å; L160-I252 HydrophobicContact CD1-CG1 4.44Å; L160-I252 HydrophobicContact CD1-CG2 4.41Å; L162-I252 HydrophobicContact CD1-CD1 4.38Å; L162-I252 HydrophobicContact CD1-CG1 4.25Å; L162-I252 HydrophobicContact CD2-CD1 3.9Å; L162-I252 HydrophobicContact CD2-CG1 4.27Å; L162-I252 HydrophobicContact CG-CD1 3.9Å; L162-I252 HydrophobicContact CG-CG1 4.29Å; D248-I252 PolarHBondContact O-N 2.9Å; L249-I252 PolarHBondContact O-N 3.3Å; I252-A254 PolarHBondContact O-N 3.36Å; I252-A255 PolarHBondContact O-N 3.07Å; I252-A255 VanDerWaalsContact O-N 3.1Å; I252-Y256 HydrophobicContact CD1-CE2 4.41Å; I252-Y256 HydrophobicContact CG2-CD2 3.99Å; I252-Y256 WeakPolarHBondContact O-CD2 3.2Å; I252-Y256 PolarHBondContact O-N 3Å
253	N	96.4	Very high	95.6	Very high	6 Å²	6	35.2 Å²	35.2	3%	0.032	21%	0.205	C	C	.	.	H	α-helix	trans	-66.8	-38.3	-179.3	-74.9	-29.2	0	0	0	112.6	N103 T104 L249 A255 C257 S258 Y271	N103-N253 PolarHBondContact O-ND2 3.38Å; T104-N253 WeakPolarHBondContact CA-OD1 3.34Å; T104-N253 VanDerWaalsContact CB-OD1 3.25Å; T104-N253 WeakPolarHBondContact CB-OD1 3.32Å; T104-N253 WeakPolarHBondContact CG2-OD1 3.24Å; L249-N253 VanDerWaalsContact O-CB 3.3Å; L249-N253 WeakPolarHBondContact O-CB 3.31Å; L249-N253 PolarHBondContact O-N 3.29Å; L249-N253 PolarHBondContact O-ND2 2.91Å; N253-A255 VanDerWaalsContact C-N 3.25Å; N253-A255 PolarHBondContact O-N 3.4Å; N253-C257 HydrophobicContact CB-CB 4.33Å; N253-C257 CarbonylContact O-C 3.49Å; N253-C257 VanDerWaalsContact O-CA 3.27Å; N253-C257 WeakPolarHBondContact O-CA 3.25Å; N253-C257 VanDerWaalsContact O-CB 3.27Å; N253-C257 WeakPolarHBondContact O-CB 3.47Å; N253-C257 PolarHBondContact O-N 3.49Å; N253-C257 PolarHBondContact OD1-SG 2.89Å; N253-C257 VanDerWaalsContact OD1-SG 3.33Å; N253-S258 PolarHBondContact O-N 3.03Å; N253-Y271 HydrophobicContact CB-CE2 3.9Å; N253-Y271 PolarHBondContact ND2-OH 3.43Å
254	A	93.9	Very high	95.6	Very high	31 Å²	31	35.5 Å²	35.5	26%	0.256	20%	0.204	S	C	.	.	H	α-helix	trans	-61.9	-36.8	172	0	0	0	0	0	111.7	M201 I203 A250 I252 S258	M201-A254 HydrophobicContact CB-CB 3.84Å; M201-A254 HydrophobicContact CE-CB 3.91Å; M201-A254 WeakPolarHBondContact CE-O 3.36Å; M201-A254 HydrophobicContact CG-CB 4.13Å; I203-A254 HydrophobicContact CD1-CB 4.45Å; A250-A254 WeakPolarHBondContact O-CB 3.08Å; A250-A254 PolarHBondContact O-N 2.67Å; I252-A254 PolarHBondContact O-N 3.36Å; A254-S258 PolarHBondContact O-OG 3.16Å
255	A	93.3	Very high	95.6	Very high	7 Å²	7	39.5 Å²	39.5	6%	0.058	23%	0.23	C	C	.	.	H	α-helix	trans	-76.6	-40.1	-178.1	0	0	0	0	0	113.9	L64 R71 I251 I252 N253	L64-A255 HydrophobicContact CD2-CB 3.43Å; L64-A255 VanDerWaalsContact CD2-CB 3.43Å; R71-A255 PolarHBondContact NH1-O 3.35Å; I251-A255 WeakPolarHBondContact O-CB 3.37Å; I251-A255 PolarHBondContact O-N 2.82Å; I251-A255 VanDerWaalsContact O-N 3.12Å; I252-A255 PolarHBondContact O-N 3.07Å; I252-A255 VanDerWaalsContact O-N 3.1Å; N253-A255 VanDerWaalsContact C-N 3.25Å; N253-A255 PolarHBondContact O-N 3.4Å
256	Y	95.2	Very high	95.6	Very high	14 Å²	14	40.6 Å²	40.6	6%	0.055	24%	0.237	C	C	.	.	H	α-helix	trans	-110.8	-21.2	-170.5	-73	-89.8	0	0	0	114.6	R71 W72 R75 C105 L106 L160 I252	R71-Y256 VanDerWaalsContact CA-OH 3.31Å; R71-Y256 WeakPolarHBondContact CA-OH 3.13Å; R71-Y256 HydrophobicContact CB-CE1 3.61Å; R71-Y256 HydrophobicContact CG-CE1 4.11Å; R71-Y256 HydrophobicContact CG-CE2 4.49Å; W72-Y256 HydrophobicContact CB-CE1 4.31Å; W72-Y256 PolarHBondContact N-OH 3.23Å; R75-Y256 PolarHBondContact NH1-O 3.41Å; C105-Y256 VanDerWaalsContact SG-C 3.55Å; C105-Y256 PolarHBondContact SG-O 3.4Å; L106-Y256 HydrophobicContact CD2-CD1 3.51Å; L106-Y256 HydrophobicContact CD2-CD2 4.42Å; L106-Y256 HydrophobicContact CD2-CE1 3.95Å; L106-Y256 HydrophobicContact CD2-CG 3.75Å; L106-Y256 HydrophobicContact CG-CG 4.46Å; L160-Y256 PolarHBondContact O-OH 2.92Å; I252-Y256 HydrophobicContact CD1-CE2 4.41Å; I252-Y256 HydrophobicContact CG2-CD2 3.99Å; I252-Y256 WeakPolarHBondContact O-CD2 3.2Å; I252-Y256 PolarHBondContact O-N 3Å
257	C	95.6	Very high	95.5	Very high	9 Å²	9	44.6 Å²	44.6	6%	0.061	26%	0.256	C	S	.	.			trans	-126.8	5.8	-161.9	-47.9	0	0	0	0	114.4	C105 N253 D259 R260 P274	C105-C257 HydrophobicContact CB-CB 3.72Å; C105-C257 WeakPolarHBondContact CB-SG 3.27Å; C105-C257 PolarHBondContact N-SG 2.85Å; C105-C257 WeakPolarHBondContact SG-CA 3.5Å; C105-C257 WeakPolarHBondContact SG-CB 3.49Å; C105-C257 CovalentContact SG-SG 2.03Å; C105-C257 PolarHBondContact SG-SG 3.1Å; N253-C257 HydrophobicContact CB-CB 4.33Å; N253-C257 CarbonylContact O-C 3.49Å; N253-C257 VanDerWaalsContact O-CA 3.27Å; N253-C257 WeakPolarHBondContact O-CA 3.25Å; N253-C257 VanDerWaalsContact O-CB 3.27Å; N253-C257 WeakPolarHBondContact O-CB 3.47Å; N253-C257 PolarHBondContact O-N 3.49Å; N253-C257 PolarHBondContact OD1-SG 2.89Å; N253-C257 VanDerWaalsContact OD1-SG 3.33Å; C257-D259 PolarHBondContact O-N 3.26Å; C257-R260 HydrophobicContact CB-CG 4.32Å; C257-R260 WeakPolarHBondContact O-CB 3.43Å; C257-R260 PolarHBondContact O-N 2.87Å; C257-R260 VanDerWaalsContact O-N 3.08Å; C257-P274 HydrophobicContact CB-CB 3.71Å
258	S	91.4	Very high	95.4	Very high	96 Å²	96	46.5 Å²	46.5	67%	0.671	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-14.8	-175.1	45.7	0	0	0	0	114.8	N253 A254	N253-S258 PolarHBondContact O-N 3.03Å; A254-S258 PolarHBondContact O-OG 3.16Å
259	D	92.5	Very high	95.3	Very high	110 Å²	110	48.1 Å²	48.1	59%	0.588	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.7	4.7	179.4	68.6	-21.7	0	0	0	114	R75 C257	R75-D259 IonicContact CZ-OD1 3.36Å; R75-D259 IonicContact CZ-OD2 3.93Å; R75-D259 IonicContact NH1-OD1 3.44Å; R75-D259 PolarHBondContact NH1-OD1 3.37Å; R75-D259 IonicContact NH1-OD2 2.67Å; R75-D259 IonicContact NH2-OD1 3.86Å; R75-D259 PolarHBondContact NH2-OD1 3.43Å; R75-D259 IonicContact NH2-OD2 3.6Å; R75-D259 PolarHBondContact NH2-OD2 2.95Å; C257-D259 PolarHBondContact O-N 3.26Å
260	R	93.8	Very high	95.3	Very high	117 Å²	117	48.3 Å²	48.3	44%	0.442	29%	0.287	S	S	.	.	S	Bend	trans	-76.6	-43.2	-175	-81.4	-61.4	-137.4	-172.3	1.5	114.2	C105 C257	C105-R260 HydrophobicContact CB-CG 3.79Å; C257-R260 HydrophobicContact CB-CG 4.32Å; C257-R260 WeakPolarHBondContact O-CB 3.43Å; C257-R260 PolarHBondContact O-N 2.87Å; C257-R260 VanDerWaalsContact O-N 3.08Å
261	C	95.3	Very high	95.3	Very high	27 Å²	27	50 Å²	50	18%	0.182	29%	0.292	C	S	.	.	S	Bend	trans	-127.2	149.7	-169.4	-56.9	0	0	0	0	110.2	P272 H273 C277	C261-P272 HydrophobicContact CB-CB 3.84Å; C261-H273 PolarHBondContact SG-O 2.83Å; C261-C277 HydrophobicContact CB-CB 3.65Å; C261-C277 WeakPolarHBondContact CB-SG 3.33Å; C261-C277 WeakPolarHBondContact SG-CA 3.31Å; C261-C277 WeakPolarHBondContact SG-CB 3.41Å; C261-C277 CovalentContact SG-SG 2.05Å; C261-C277 PolarHBondContact SG-SG 2.85Å
262	S	94.5	Very high	95.4	Very high	89 Å²	89	51 Å²	51	62%	0.622	30%	0.298	S	S	*	.			trans	-67.5	158.1	164.8	50.5	0	0	0	0	110.9	L264 P272	S262-L264 PolarHBondContact O-N 2.94Å; S262-P272 WeakPolarHBondContact O-CG 3.03Å
263	N	93.4	Very high	95.4	Very high	154 Å²	154	51.3 Å²	51.3	82%	0.824	30%	0.3	S	S	*	.			trans	-60	137.7	173.1	-72.3	-16.5	0	0	0	111.1
264	L	96	Very high	95.4	Very high	39 Å²	39	51.3 Å²	51.3	20%	0.204	30%	0.3	C	S	.	.			trans	-113	157.1	169.3	-67.5	178.4	0	0	0	108.6	S262 C266 P272	S262-L264 PolarHBondContact O-N 2.94Å; L264-C266 PolarHBondContact O-N 3.38Å; L264-P272 HydrophobicContact CB-CG 4.08Å; L264-P272 HydrophobicContact CD1-CB 4.2Å; L264-P272 HydrophobicContact CG-CB 4.27Å; L264-P272 HydrophobicContact CG-CG 4.16Å
265	P	97.3	Very high	95.5	Very high	89 Å²	89	53.5 Å²	53.5	58%	0.578	30%	0.302	S	S	*	.			trans	-75.5	54.5	176.2	34.5	-37.3	0	0	0	111.3	E267 Y290	P265-E267 PolarHBondContact O-N 2.99Å; P265-Y290 HydrophobicContact CG-CD1 3.81Å; P265-Y290 HydrophobicContact CG-CE1 3.73Å; P265-Y290 HydrophobicContact CG-CG 4.33Å
266	C	97.5	Very high	95.6	Very high	29 Å²	29	58.1 Å²	58.1	20%	0.196	32%	0.319	C	S	.	.			trans	-65.4	129.7	177.8	-53.7	0	0	0	0	110.6	L264 G270 Y271 C280	L264-C266 PolarHBondContact O-N 3.38Å; C266-G270 WeakPolarHBondContact CB-O 3.23Å; C266-Y271 VanDerWaalsContact SG-CA 3.54Å; C266-C280 WeakPolarHBondContact CA-SG 3.49Å; C266-C280 HydrophobicContact CB-CB 3.83Å; C266-C280 WeakPolarHBondContact CB-SG 3.45Å; C266-C280 WeakPolarHBondContact SG-CB 3.5Å; C266-C280 CovalentContact SG-SG 2.02Å; C266-C280 PolarHBondContact SG-SG 2.89Å
267	E	96.8	Very high	95.6	Very high	93 Å²	93	60 Å²	60	44%	0.435	33%	0.333	S	S	.	.			trans	-92.8	169.5	176.7	-62.2	-174.9	-144.1	0	0	111.1	P265 G269 G270 Y290 Q292	P265-E267 PolarHBondContact O-N 2.99Å; E267-G269 PolarHBondContact O-N 3.16Å; E267-G270 PolarHBondContact O-N 3.44Å; E267-Y290 WeakPolarHBondContact CB-O 3.48Å; E267-Y290 PolarHBondContact N-O 3.03Å; E267-Q292 HydrophobicContact CG-CB 4.48Å; E267-Q292 WeakPolarHBondContact OE1-CB 3.06Å
268	N	96	Very high	95.6	Very high	43 Å²	43	64.8 Å²	64.8	23%	0.23	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.5	28.8	170.1	-57.3	-44.4	0	0	0	115.2	G270 P283 L286 C291 L396	N268-G270 VanDerWaalsContact C-N 3.34Å; N268-P283 WeakPolarHBondContact O-CG 2.99Å; N268-L286 HydrophobicContact CB-CD1 3.48Å; N268-L286 VanDerWaalsContact CB-CD1 3.48Å; N268-C291 PolarHBondContact ND2-O 3.13Å; N268-L396 WeakPolarHBondContact OD1-CD2 3.5Å
269	G	95.8	Very high	95.9	Very high	35 Å²	35	65.6 Å²	65.6	36%	0.361	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.9	8.8	179.3	0	0	0	0	0	115.2	E267 R373	E267-G269 PolarHBondContact O-N 3.16Å; G269-R373 WeakPolarHBondContact O-CD 3.4Å
270	G	97.2	Very high	96.1	Very high	13 Å²	13	60.8 Å²	60.8	13%	0.134	32%	0.321	C	S	.	.			trans	-63.7	165.8	167.8	0	0	0	0	0	112.7	C266 E267 N268 L281	C266-G270 WeakPolarHBondContact CB-O 3.23Å; E267-G270 PolarHBondContact O-N 3.44Å; N268-G270 VanDerWaalsContact C-N 3.34Å; G270-L281 VanDerWaalsContact CA-O 3.27Å; G270-L281 WeakPolarHBondContact CA-O 3.27Å
271	Y	97	Very high	96.3	Very high	46 Å²	46	56.3 Å²	56.3	18%	0.18	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	159.8	177.3	59.6	-93	0	0	0	111.4	F246 A250 N253 C266 H273 C280 L281	F246-Y271 HydrophobicContact CD2-CE1 4.42Å; F246-Y271 HydrophobicContact CE1-CD1 4.47Å; F246-Y271 HydrophobicContact CE1-CE1 4.15Å; F246-Y271 HydrophobicContact CE2-CD1 4Å; F246-Y271 AromaticContact CE2-CE1 3.48Å; F246-Y271 HydrophobicContact CE2-CE1 3.48Å; F246-Y271 VanDerWaalsContact CE2-CE1 3.48Å; F246-Y271 AromaticContact CZ-CD1 3.54Å; F246-Y271 HydrophobicContact CZ-CD1 3.54Å; F246-Y271 AromaticContact CZ-CE1 3.32Å; F246-Y271 HydrophobicContact CZ-CE1 3.32Å; A250-Y271 VanDerWaalsContact CA-OH 3.29Å; A250-Y271 WeakPolarHBondContact CA-OH 3.37Å; A250-Y271 HydrophobicContact CB-CE1 3.8Å; A250-Y271 PolarHBondContact N-OH 3.32Å; N253-Y271 HydrophobicContact CB-CE2 3.9Å; N253-Y271 PolarHBondContact ND2-OH 3.43Å; C266-Y271 VanDerWaalsContact SG-CA 3.54Å; Y271-H273 PolarHBondContact O-N 3.48Å; Y271-C280 CarbonylContact O-C 3.56Å; Y271-C280 VanDerWaalsContact O-CA 3.27Å; Y271-C280 WeakPolarHBondContact O-CA 3.26Å; Y271-L281 HydrophobicContact CE1-CD2 4.39Å; Y271-L281 HydrophobicContact CE2-CB 4.32Å; Y271-L281 HydrophobicContact CE2-CD2 4.12Å; Y271-L281 PolarHBondContact N-O 2.79Å; Y271-L281 PolarHBondContact O-N 3.4Å; Y271-L281 VanDerWaalsContact OH-CD2 3.27Å; Y271-L281 WeakPolarHBondContact OH-CD2 3.19Å
272	P	97.5	Very high	96.4	Very high	24 Å²	24	56.2 Å²	56.2	16%	0.156	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.9	130.1	-178.5	-26.1	34.3	0	0	0	112.3	C261 S262 L264	C261-P272 HydrophobicContact CB-CB 3.84Å; S262-P272 WeakPolarHBondContact O-CG 3.03Å; L264-P272 HydrophobicContact CB-CG 4.08Å; L264-P272 HydrophobicContact CD1-CB 4.2Å; L264-P272 HydrophobicContact CG-CB 4.27Å; L264-P272 HydrophobicContact CG-CG 4.16Å
273	H	97.4	Very high	96.6	Very high	6 Å²	6	52 Å²	52	3%	0.028	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	123.8	-177.6	-173.1	-66.1	0	0	0	110	Q102 C261 Y271 R275 Y276 C277 R279 L281	Q102-H273 PolarHBondContact O-CE1 3.16Å; Q102-H273 PolarHBondContact O-NE2 3.44Å; C261-H273 PolarHBondContact SG-O 2.83Å; Y271-H273 PolarHBondContact O-N 3.48Å; H273-R275 PolarHBondContact ND1-N 2.89Å; H273-R275 PolarHBondContact O-N 2.74Å; H273-Y276 WeakPolarHBondContact CB-O 3.27Å; H273-Y276 AromaticContact CE1-CD2 3.24Å; H273-Y276 WeakPolarHBondContact CE1-CD2 3.27Å; H273-Y276 AromaticContact CE1-CE2 3.7Å; H273-Y276 AromaticContact CG-CD2 3.9Å; H273-Y276 AromaticContact ND1-CD2 3.31Å; H273-Y276 VanDerWaalsContact ND1-CD2 3.31Å; H273-Y276 WeakPolarHBondContact ND1-CD2 3.41Å; H273-Y276 AromaticContact ND1-CG 3.92Å; H273-Y276 PolarHBondContact ND1-N 3.48Å; H273-Y276 AromaticContact NE2-CD2 3.72Å; H273-Y276 CarbonylContact O-C 3.55Å; H273-Y276 VanDerWaalsContact O-C 3.26Å; H273-Y276 PolarHBondContact O-N 3.06Å; H273-C277 PolarHBondContact O-N 3.37Å; H273-R279 HydrophobicContact CB-CG 4.23Å; H273-R279 WeakPolarHBondContact CB-O 3.37Å; H273-R279 PolarHBondContact N-O 2.98Å; H273-L281 HydrophobicContact CB-CB 4.38Å
274	P	96.5	Very high	96.8	Very high	7 Å²	7	47.1 Å²	47.1	5%	0.045	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-15.1	-165.5	27.5	-38.2	0	0	0	115.4	C105 C257	C105-P274 HydrophobicContact CB-CB 4.08Å; C257-P274 HydrophobicContact CB-CB 3.71Å
275	R	95.2	Very high	96.9	Very high	77 Å²	77	45.2 Å²	45.2	29%	0.291	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.9	-20.2	170.5	-68.3	-167.7	176.1	-94.9	-2.6	115.3	Q101 T104 L106 D107 H273	Q101-R275 WeakPolarHBondContact O-CD 3.45Å; Q101-R275 PolarHBondContact O-NE 2.79Å; T104-R275 WeakPolarHBondContact O-CD 2.98Å; T104-R275 VanDerWaalsContact O-CG 3.28Å; T104-R275 WeakPolarHBondContact O-CG 3.1Å; T104-R275 PolarHBondContact O-NE 3.17Å; L106-R275 VanDerWaalsContact C-NH2 3.26Å; L106-R275 PolarHBondContact O-NH2 3.07Å; D107-R275 IonicContact OD1-CZ 3.28Å; D107-R275 IonicContact OD1-NH1 3.18Å; D107-R275 PolarHBondContact OD1-NH1 3.15Å; D107-R275 IonicContact OD1-NH2 2.61Å; D107-R275 PolarHBondContact OD1-NH2 3.44Å; H273-R275 PolarHBondContact ND1-N 2.89Å; H273-R275 PolarHBondContact O-N 2.74Å
276	Y	95.3	Very high	96.9	Very high	104 Å²	104	41.3 Å²	41.3	41%	0.408	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	73.4	-173.2	-56.3	-64.2	0	0	0	107	H273 D278 R279	H273-Y276 WeakPolarHBondContact CB-O 3.27Å; H273-Y276 AromaticContact CE1-CD2 3.24Å; H273-Y276 WeakPolarHBondContact CE1-CD2 3.27Å; H273-Y276 AromaticContact CE1-CE2 3.7Å; H273-Y276 AromaticContact CG-CD2 3.9Å; H273-Y276 AromaticContact ND1-CD2 3.31Å; H273-Y276 VanDerWaalsContact ND1-CD2 3.31Å; H273-Y276 WeakPolarHBondContact ND1-CD2 3.41Å; H273-Y276 AromaticContact ND1-CG 3.92Å; H273-Y276 PolarHBondContact ND1-N 3.48Å; H273-Y276 AromaticContact NE2-CD2 3.72Å; H273-Y276 CarbonylContact O-C 3.55Å; H273-Y276 VanDerWaalsContact O-C 3.26Å; H273-Y276 PolarHBondContact O-N 3.06Å; Y276-D278 PolarHBondContact O-N 3.29Å; Y276-R279 PolarHBondContact O-N 3.16Å; Y276-R279 VanDerWaalsContact O-N 3.13Å
277	C	95.7	Very high	96.9	Very high	54 Å²	54	40.2 Å²	40.2	37%	0.365	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	5.8	-169.5	-62.4	0	0	0	0	114.8	C261 H273	C261-C277 HydrophobicContact CB-CB 3.65Å; C261-C277 WeakPolarHBondContact CB-SG 3.33Å; C261-C277 WeakPolarHBondContact SG-CA 3.31Å; C261-C277 WeakPolarHBondContact SG-CB 3.41Å; C261-C277 CovalentContact SG-SG 2.05Å; C261-C277 PolarHBondContact SG-SG 2.85Å; H273-C277 PolarHBondContact O-N 3.37Å
278	D	95.8	Very high	96.9	Very high	108 Å²	108	37.6 Å²	37.6	58%	0.578	21%	0.208	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-100.6	-2.9	176.8	63.2	-30.3	0	0	0	113.4	Y276 Q289	Y276-D278 PolarHBondContact O-N 3.29Å; D278-Q289 PolarHBondContact O-NE2 3.22Å
279	R	96.6	Very high	96.9	Very high	114 Å²	114	40.3 Å²	40.3	43%	0.43	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	162.1	177.6	68	-173.7	-167.6	-174	5.7	112.3	H273 Y276 Q289	H273-R279 HydrophobicContact CB-CG 4.23Å; H273-R279 WeakPolarHBondContact CB-O 3.37Å; H273-R279 PolarHBondContact N-O 2.98Å; Y276-R279 PolarHBondContact O-N 3.16Å; Y276-R279 VanDerWaalsContact O-N 3.13Å; R279-Q289 HydrophobicContact CB-CG 4.31Å
280	C	98	Very high	97	Very high	9 Å²	9	42.1 Å²	42.1	6%	0.061	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	148.3	175.2	-58.1	0	0	0	0	111.6	C266 Y271 Q289 C291	C266-C280 WeakPolarHBondContact CA-SG 3.49Å; C266-C280 HydrophobicContact CB-CB 3.83Å; C266-C280 WeakPolarHBondContact CB-SG 3.45Å; C266-C280 WeakPolarHBondContact SG-CB 3.5Å; C266-C280 CovalentContact SG-SG 2.02Å; C266-C280 PolarHBondContact SG-SG 2.89Å; Y271-C280 CarbonylContact O-C 3.56Å; Y271-C280 VanDerWaalsContact O-CA 3.27Å; Y271-C280 WeakPolarHBondContact O-CA 3.26Å; C280-Q289 PolarHBondContact N-O 3.37Å; C280-C291 WeakPolarHBondContact CB-SG 3.4Å
281	L	97.7	Very high	97.1	Very high	22 Å²	22	41.5 Å²	41.5	12%	0.115	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	131.3	158	-171.1	73.2	0	0	0	107.9	F246 L249 G270 Y271 H273	F246-L281 HydrophobicContact CD2-CD2 4.42Å; F246-L281 HydrophobicContact CD2-CG 4.42Å; F246-L281 HydrophobicContact CE2-CD2 4.31Å; F246-L281 HydrophobicContact CE2-CG 4.18Å; L249-L281 HydrophobicContact CB-CD2 4.42Å; L249-L281 HydrophobicContact CD1-CD2 4.2Å; G270-L281 VanDerWaalsContact CA-O 3.27Å; G270-L281 WeakPolarHBondContact CA-O 3.27Å; Y271-L281 HydrophobicContact CE1-CD2 4.39Å; Y271-L281 HydrophobicContact CE2-CB 4.32Å; Y271-L281 HydrophobicContact CE2-CD2 4.12Å; Y271-L281 PolarHBondContact N-O 2.79Å; Y271-L281 PolarHBondContact O-N 3.4Å; Y271-L281 VanDerWaalsContact OH-CD2 3.27Å; Y271-L281 WeakPolarHBondContact OH-CD2 3.19Å; H273-L281 HydrophobicContact CB-CB 4.38Å
282	C	98.2	Very high	97	Very high	26 Å²	26	41.3 Å²	41.3	18%	0.176	21%	0.21	C	C	.	.			trans	-111.8	148.1	-168.9	-56.6	0	0	0	0	112.2	F246 L286 C291	F246-C282 VanDerWaalsContact CD2-C 3.46Å; F246-C282 WeakPolarHBondContact CD2-O 3.48Å; F246-C282 VanDerWaalsContact CE2-C 3.43Å; C282-L286 HydrophobicContact CB-CB 4.28Å; C282-L286 WeakPolarHBondContact CB-O 3.3Å; C282-C291 WeakPolarHBondContact CA-SG 3.28Å; C282-C291 HydrophobicContact CB-CB 3.68Å; C282-C291 WeakPolarHBondContact CB-SG 3.45Å; C282-C291 WeakPolarHBondContact SG-CA 3.38Å; C282-C291 WeakPolarHBondContact SG-CB 3.25Å; C282-C291 CovalentContact SG-SG 2.04Å; C282-C291 PolarHBondContact SG-SG 3.06Å
283	P	98.3	Very high	97	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.219	C	C	.	.			trans	-58.5	148.5	167.3	-19.5	30.7	0	0	0	111.6	F246 N268 G285 L286 R373	F246-P283 HydrophobicContact CD1-CB 4.04Å; F246-P283 HydrophobicContact CD1-CG 4.01Å; F246-P283 HydrophobicContact CE1-CB 4.34Å; F246-P283 HydrophobicContact CE1-CG 3.78Å; F246-P283 HydrophobicContact CE2-CG 4.39Å; F246-P283 HydrophobicContact CG-CB 4.19Å; F246-P283 HydrophobicContact CG-CG 4.43Å; F246-P283 HydrophobicContact CZ-CG 3.96Å; N268-P283 WeakPolarHBondContact O-CG 2.99Å; P283-G285 PolarHBondContact O-N 2.93Å; P283-L286 HydrophobicContact CB-CD1 4.11Å; P283-L286 HydrophobicContact CG-CD1 4.04Å; P283-L286 WeakPolarHBondContact O-CB 3.32Å; P283-L286 PolarHBondContact O-N 3.23Å; P283-R373 HydrophobicContact CG-CB 4.46Å; P283-R373 HydrophobicContact CG-CG 4.08Å
284	T	97.8	Very high	97	Very high	51 Å²	51	44.6 Å²	44.6	31%	0.313	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	134.6	178.6	-43.8	0	0	0	0	111.4	L286 K367 I400	T284-L286 VanDerWaalsContact C-N 3.32Å; T284-K367 WeakPolarHBondContact O-CE 3.41Å; T284-K367 PolarHBondContact O-NZ 3.02Å; T284-I400 HydrophobicContact CG2-CD1 4.1Å
285	G	97.6	Very high	97.1	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.4	-12.1	-173.7	0	0	0	0	0	115	P283 E295 S333	P283-G285 PolarHBondContact O-N 2.93Å; G285-E295 PolarHBondContact N-OE2 3.35Å; G285-E295 PolarHBondContact O-N 3.14Å; G285-S333 WeakPolarHBondContact CA-OG 3.4Å; G285-S333 WeakPolarHBondContact O-CB 3.34Å; G285-S333 PolarHBondContact O-OG 3.38Å
286	L	98.2	Very high	97.1	Very high	6 Å²	6	47.6 Å²	47.6	3%	0.031	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	150.2	176.3	-63.6	165.8	0	0	0	111.2	N268 C282 P283 T284 D293 V335 L372 V398	N268-L286 HydrophobicContact CB-CD1 3.48Å; N268-L286 VanDerWaalsContact CB-CD1 3.48Å; C282-L286 HydrophobicContact CB-CB 4.28Å; C282-L286 WeakPolarHBondContact CB-O 3.3Å; P283-L286 HydrophobicContact CB-CD1 4.11Å; P283-L286 HydrophobicContact CG-CD1 4.04Å; P283-L286 WeakPolarHBondContact O-CB 3.32Å; P283-L286 PolarHBondContact O-N 3.23Å; T284-L286 VanDerWaalsContact C-N 3.32Å; L286-D293 WeakPolarHBondContact CA-O 3.48Å; L286-V335 HydrophobicContact CD2-CG2 3.62Å; L286-L372 HydrophobicContact CD1-CB 4.34Å; L286-L372 HydrophobicContact CD1-CD1 4.34Å; L286-V398 HydrophobicContact CD2-CG2 3.98Å; L286-V398 HydrophobicContact CG-CG2 4.39Å
287	G	97.2	Very high	97.1	Very high	7 Å²	7	44.7 Å²	44.7	7%	0.072	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	-169.6	-175.4	0	0	0	0	0	113.2	C291 Q292 D293	G287-C291 CarbonylContact O-C 3.26Å; G287-C291 WeakPolarHBondContact O-CA 3.28Å; G287-Q292 PolarHBondContact O-N 2.52Å; G287-Q292 VanDerWaalsContact O-N 3.11Å; G287-D293 PolarHBondContact N-O 2.91Å; G287-D293 PolarHBondContact O-N 2.69Å
288	G	96.7	Very high	97.1	Very high	38 Å²	38	47.8 Å²	47.8	39%	0.392	25%	0.254	S	S	.	.	S	Bend	trans	85.5	167.9	-169.4	0	0	0	0	0	112.5	Y290 C291	G288-Y290 PolarHBondContact O-N 3.12Å; G288-C291 PolarHBondContact O-N 2.95Å
289	Q	96.2	Very high	96.8	Very high	99 Å²	99	50.1 Å²	50.1	46%	0.463	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-33.3	-175.4	-175	174.9	9.5	0	0	113.1	D278 R279 C280	D278-Q289 PolarHBondContact O-NE2 3.22Å; R279-Q289 HydrophobicContact CB-CG 4.31Å; C280-Q289 PolarHBondContact N-O 3.37Å
290	Y	97.7	Very high	96.3	Very high	73 Å²	73	46 Å²	46	29%	0.286	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.6	18.3	-177.2	-53.8	-64.3	0	0	0	112.9	P265 E267 G288 Q292	P265-Y290 HydrophobicContact CG-CD1 3.81Å; P265-Y290 HydrophobicContact CG-CE1 3.73Å; P265-Y290 HydrophobicContact CG-CG 4.33Å; E267-Y290 WeakPolarHBondContact CB-O 3.48Å; E267-Y290 PolarHBondContact N-O 3.03Å; G288-Y290 PolarHBondContact O-N 3.12Å; Y290-Q292 VanDerWaalsContact C-N 3.29Å; Y290-Q292 VanDerWaalsContact C-OE1 3.28Å; Y290-Q292 VanDerWaalsContact CA-OE1 3.28Å; Y290-Q292 PolarHBondContact O-N 3.37Å
291	C	97.8	Very high	95.9	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	29%	0.288	C	S	.	.	S	Bend	trans	65.5	26.9	-178.7	-44.4	0	0	0	0	114.6	N268 C280 C282 G287 G288	N268-C291 PolarHBondContact ND2-O 3.13Å; C280-C291 WeakPolarHBondContact CB-SG 3.4Å; C282-C291 WeakPolarHBondContact CA-SG 3.28Å; C282-C291 HydrophobicContact CB-CB 3.68Å; C282-C291 WeakPolarHBondContact CB-SG 3.45Å; C282-C291 WeakPolarHBondContact SG-CA 3.38Å; C282-C291 WeakPolarHBondContact SG-CB 3.25Å; C282-C291 CovalentContact SG-SG 2.04Å; C282-C291 PolarHBondContact SG-SG 3.06Å; G287-C291 CarbonylContact O-C 3.26Å; G287-C291 WeakPolarHBondContact O-CA 3.28Å; G288-C291 PolarHBondContact O-N 2.95Å
292	Q	96.1	Very high	95.6	Very high	43 Å²	43	51.7 Å²	51.7	20%	0.201	29%	0.291	C	S	.	.			trans	-90.2	-15.4	-176.1	77.5	-74.4	-10.1	0	0	114.7	E267 G287 Y290 K337	E267-Q292 HydrophobicContact CG-CB 4.48Å; E267-Q292 WeakPolarHBondContact OE1-CB 3.06Å; G287-Q292 PolarHBondContact O-N 2.52Å; G287-Q292 VanDerWaalsContact O-N 3.11Å; Y290-Q292 VanDerWaalsContact C-N 3.29Å; Y290-Q292 VanDerWaalsContact C-OE1 3.28Å; Y290-Q292 VanDerWaalsContact CA-OE1 3.28Å; Y290-Q292 PolarHBondContact O-N 3.37Å; Q292-K337 PolarHBondContact O-NZ 3.45Å; Q292-K337 VanDerWaalsContact O-NZ 3.1Å
293	D	97.3	Very high	95.5	Very high	65 Å²	65	51.7 Å²	51.7	35%	0.348	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	-177.9	-177	-62.5	-47.7	0	0	0	110.8	L286 G287 V305	L286-D293 WeakPolarHBondContact CA-O 3.48Å; G287-D293 PolarHBondContact N-O 2.91Å; G287-D293 PolarHBondContact O-N 2.69Å; D293-V305 HydrophobicContact CB-CG2 4.46Å
294	N	97.4	Very high	95.4	Very high	33 Å²	33	52.6 Å²	52.6	18%	0.176	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	155.9	172.7	65.6	-77.1	0	0	0	112.1	G304 S333 V335	N294-G304 PolarHBondContact ND2-N 3.09Å; N294-G304 VanDerWaalsContact OD1-CA 3.24Å; N294-G304 WeakPolarHBondContact OD1-CA 3.26Å; N294-S333 WeakPolarHBondContact CB-O 3.29Å; N294-S333 PolarHBondContact ND2-O 3.22Å; N294-V335 HydrophobicContact CB-CB 4.44Å; N294-V335 HydrophobicContact CB-CG2 3.72Å
295	E	97.5	Very high	95.3	Very high	50 Å²	50	53.2 Å²	53.2	23%	0.234	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-61.6	134.1	167.3	-171	172.9	175.2	0	0	109.7	G285	G285-E295 PolarHBondContact N-OE2 3.35Å; G285-E295 PolarHBondContact O-N 3.14Å
296	P	96.7	Very high	95.1	Very high	97 Å²	97	54.8 Å²	54.8	63%	0.63	32%	0.317	S	S	*	.	P	Polyproline II helix	trans	-59.2	141.7	177.5	-24.1	34.1	0	0	0	112
297	S	95.5	Very high	94.9	Very high	44 Å²	44	63.7 Å²	63.7	31%	0.308	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-64.8	149.4	176.2	54.4	0	0	0	0	112.1	S300 C302 S331	S297-S300 WeakPolarHBondContact CB-O 3.43Å; S297-S300 PolarHBondContact OG-O 3.25Å; S297-C302 VanDerWaalsContact CB-O 3.31Å; S297-C302 WeakPolarHBondContact CB-O 3.23Å; S297-S331 CarbonylContact C-O 3.5Å; S297-S331 VanDerWaalsContact CA-O 3.23Å; S297-S331 WeakPolarHBondContact CA-O 3.26Å; S297-S331 WeakPolarHBondContact CB-O 3.49Å
298	K	94	Very high	94.5	Very high	118 Å²	118	64 Å²	64	51%	0.513	35%	0.352	S	S	.	.	B	Isolated β-bridge	trans	-113.6	132.6	172.8	-62.4	178	-173.1	167.1	0	108.7	S300 Q330 S331	K298-S300 PolarHBondContact O-N 2.94Å; K298-Q330 WeakPolarHBondContact O-CA 3.27Å; K298-S331 PolarHBondContact N-O 3.16Å; K298-S331 PolarHBondContact O-N 2.8Å; K298-S331 VanDerWaalsContact O-N 3.08Å
299	E	90.1	Very high	93.9	Very high	158 Å²	158	63.3 Å²	63.3	74%	0.738	34%	0.342	S	S	*	.	S	Bend	trans	50.7	24	179.1	-55.7	-54.3	137.5	0	0	114.7	Q330	E299-Q330 HydrophobicContact CB-CG 4.15Å; E299-Q330 WeakPolarHBondContact O-CG 3.28Å; E299-Q330 PolarHBondContact O-NE2 3.12Å; E299-Q330 VanDerWaalsContact O-NE2 3.15Å
300	S	86.8	Confident	93.3	Very high	28 Å²	28	61.7 Å²	61.7	20%	0.196	35%	0.346	C	S	.	.	S	Bend	trans	-156.7	164.9	-174.7	-169.4	0	0	0	0	111.7	S297 K298 C302	S297-S300 WeakPolarHBondContact CB-O 3.43Å; S297-S300 PolarHBondContact OG-O 3.25Å; K298-S300 PolarHBondContact O-N 2.94Å; S300-C302 PolarHBondContact OG-SG 2.96Å
301	S	89.1	Confident	92.3	Very high	121 Å²	121	65.1 Å²	65.1	85%	0.846	36%	0.363	S	S	*	.	S	Bend	trans	-111.2	14.3	177.4	57.5	0	0	0	0	113.8
302	C	91.9	Very high	91.8	Very high	28 Å²	28	69 Å²	69	19%	0.189	39%	0.388	C	S	.	.			trans	-91.3	-174.8	175.8	56.4	0	0	0	0	114	S297 S300 P320 C332 W334	S297-C302 VanDerWaalsContact CB-O 3.31Å; S297-C302 WeakPolarHBondContact CB-O 3.23Å; S300-C302 PolarHBondContact OG-SG 2.96Å; C302-P320 VanDerWaalsContact SG-CG 3.53Å; C302-C332 WeakPolarHBondContact CA-SG 3.33Å; C302-C332 HydrophobicContact CB-CB 4Å; C302-C332 WeakPolarHBondContact CB-SG 3.11Å; C302-C332 WeakPolarHBondContact SG-CB 3.43Å; C302-C332 CovalentContact SG-SG 2.02Å; C302-C332 PolarHBondContact SG-SG 3.39Å; C302-W334 HydrophobicContact CB-CH2 4.39Å; C302-W334 HydrophobicContact CB-CZ2 3.76Å
303	G	94.9	Very high	91.3	Very high	26 Å²	26	72.2 Å²	72.2	27%	0.268	41%	0.406	S	S	.	.			trans	89	-179.7	-170.6	0	0	0	0	0	113	S333	G303-S333 CarbonylContact C-O 3.28Å; G303-S333 WeakPolarHBondContact CA-O 3.43Å
304	G	96	Very high	90.8	Very high	19 Å²	19	75.7 Å²	75.7	20%	0.196	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	137.7	172.8	177	0	0	0	0	0	114.2	N294 S333 W334 V335	N294-G304 PolarHBondContact ND2-N 3.09Å; N294-G304 VanDerWaalsContact OD1-CA 3.24Å; N294-G304 WeakPolarHBondContact OD1-CA 3.26Å; G304-S333 PolarHBondContact N-O 3.19Å; G304-W334 CarbonylContact O-C 3.56Å; G304-W334 VanDerWaalsContact O-CA 3.26Å; G304-W334 WeakPolarHBondContact O-CA 3.24Å; G304-V335 PolarHBondContact O-N 2.87Å
305	V	96.2	Very high	90.4	Very high	64 Å²	64	76.3 Å²	76.3	39%	0.388	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	117.9	171.7	-175	0	0	0	0	109.2	D293 V335 K337	D293-V305 HydrophobicContact CB-CG2 4.46Å; V305-V335 CarbonylContact C-O 3.57Å; V305-V335 VanDerWaalsContact CA-O 3.3Å; V305-V335 WeakPolarHBondContact CA-O 3.45Å; V305-V335 HydrophobicContact CG2-CB 4.33Å; V305-K337 HydrophobicContact CG1-CD 3.93Å; V305-K337 HydrophobicContact CG1-CG 4.29Å
306	I	94.2	Very high	90	Very high	34 Å²	34	77 Å²	77	17%	0.174	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	134	-178.2	-61.9	176.5	0	0	0	109	N315 I317 W334 V335 I336 K337	I306-N315 HydrophobicContact CG2-CB 4.08Å; I306-I317 HydrophobicContact CD1-CG2 3.48Å; I306-I317 VanDerWaalsContact CD1-CG2 3.48Å; I306-W334 HydrophobicContact CD1-CB 4.48Å; I306-W334 HydrophobicContact CD1-CG 4.33Å; I306-V335 PolarHBondContact N-O 3.3Å; I306-I336 HydrophobicContact CB-CG1 4.18Å; I306-I336 CarbonylContact O-C 3.56Å; I306-I336 WeakPolarHBondContact O-CA 3.38Å; I306-K337 PolarHBondContact O-N 3.13Å
307	R	93.6	Very high	89.8	Confident	192 Å²	192	73 Å²	73	73%	0.725	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.4	122.3	162.6	-69.8	-172.4	-178.8	-143.4	2.2	108.5	N315 K337 E339	R307-N315 PolarHBondContact O-OD1 2.89Å; R307-K337 WeakPolarHBondContact CA-O 3.44Å; R307-E339 IonicContact NH1-OE1 4Å
308	A	89	Confident	89.5	Confident	14 Å²	14	72.3 Å²	72.3	12%	0.116	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-62.7	135.3	179.2	0	0	0	0	0	110.2	N315 I336 K337 L344 D426	A308-N315 WeakPolarHBondContact CA-OD1 3.48Å; A308-I336 HydrophobicContact CB-CG2 3.96Å; A308-K337 PolarHBondContact N-O 2.86Å; A308-L344 HydrophobicContact CB-CD2 3.32Å; A308-D426 HydrophobicContact CB-CB 3.8Å
309	A	83.9	Confident	89.3	Confident	24 Å²	24	67.1 Å²	67.1	20%	0.198	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-73.9	138.2	174.5	0	0	0	0	0	109.6	N313 N315 N425 D426	A309-N313 HydrophobicContact CB-CB 3.82Å; A309-N315 PolarHBondContact N-OD1 2.99Å; A309-N425 PolarHBondContact O-OD1 3.43Å; A309-D426 WeakPolarHBondContact O-CB 3.48Å; A309-D426 PolarHBondContact O-N 3.06Å
310	A	83.8	Confident	89.3	Confident	64 Å²	64	59.8 Å²	59.8	53%	0.529	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-67.5	138	175.6	0	0	0	0	0	111.5	N313	A310-N313 WeakPolarHBondContact O-CB 3Å; A310-N313 PolarHBondContact O-N 3.43Å
311	F	77.4	Confident	89.4	Confident	146 Å²	146	61.6 Å²	61.6	64%	0.64	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	133.4	177.2	-172.6	-90.3	0	0	0	111.3	F345 N425 D426	F311-F345 HydrophobicContact CD2-CZ 4.41Å; F311-N425 WeakPolarHBondContact CA-OD1 3.27Å; F311-N425 WeakPolarHBondContact CB-OD1 3.44Å; F311-N425 WeakPolarHBondContact CD2-ND2 3.41Å; F311-N425 PolarHBondContact N-OD1 2.63Å; F311-D426 PolarHBondContact N-O 2.85Å
312	P	85.4	Confident	89.1	Confident	82 Å²	82	59.2 Å²	59.2	53%	0.532	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	cis	-95.6	12.1	13.8	38.5	-37.3	0	0	0	115.5	W314	P312-W314 VanDerWaalsContact O-CZ3 3.32Å; P312-W314 WeakPolarHBondContact O-CZ3 3.27Å
313	N	86.7	Confident	88.9	Confident	109 Å²	109	62 Å²	62	58%	0.583	34%	0.336	S	S	*	.			trans	-80.2	151.2	177.6	-60.9	-55.7	0	0	0	110.4	A309 A310 N425	A309-N313 HydrophobicContact CB-CB 3.82Å; A310-N313 WeakPolarHBondContact O-CB 3Å; A310-N313 PolarHBondContact O-N 3.43Å; N313-N425 PolarHBondContact O-ND2 2.91Å; N313-N425 PolarHBondContact O-OD1 3.25Å; N313-N425 VanDerWaalsContact O-OD1 3.12Å
314	W	85.8	Confident	88.4	Confident	139 Å²	139	65.7 Å²	65.7	53%	0.527	35%	0.35	S	S	.	.			trans	-132.2	150.9	176.9	55.1	86	0	0	0	111.7	P312 F423 I424	P312-W314 VanDerWaalsContact O-CZ3 3.32Å; P312-W314 WeakPolarHBondContact O-CZ3 3.27Å; W314-F423 HydrophobicContact CB-CB 4.22Å; W314-F423 AromaticContact CD1-CD1 3.23Å; W314-F423 AromaticContact CD1-CE1 3.66Å; W314-F423 AromaticContact CD1-CG 3.54Å; W314-F423 HydrophobicContact CG-CB 4.12Å; W314-F423 HydrophobicContact CG-CD1 4.14Å; W314-F423 HydrophobicContact CG-CG 4.01Å; W314-F423 AromaticContact NE1-CD1 3.41Å; W314-F423 AromaticContact NE1-CE1 3.31Å; W314-F423 VanDerWaalsContact NE1-CE1 3.31Å; W314-F423 AromaticContact NE1-CE2 3.98Å; W314-F423 AromaticContact NE1-CG 3.78Å; W314-F423 AromaticContact NE1-CZ 3.63Å; W314-I424 CarbonylContact C-O 3.52Å; W314-I424 WeakPolarHBondContact CA-O 3.46Å; W314-I424 VanDerWaalsContact CB-O 3.27Å; W314-I424 WeakPolarHBondContact CB-O 3.45Å
315	N	89.7	Confident	87.9	Confident	45 Å²	45	66.9 Å²	66.9	24%	0.241	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	153.5	161.9	-58.9	95.3	0	0	0	109.4	I306 R307 A308 A309 F423 I424	I306-N315 HydrophobicContact CG2-CB 4.08Å; R307-N315 PolarHBondContact O-OD1 2.89Å; A308-N315 WeakPolarHBondContact CA-OD1 3.48Å; A309-N315 PolarHBondContact N-OD1 2.99Å; N315-F423 WeakPolarHBondContact O-CA 3.47Å; N315-I424 HydrophobicContact CB-CB 4.37Å; N315-I424 PolarHBondContact N-O 3.18Å; N315-I424 PolarHBondContact O-N 3.4Å
316	V	89.9	Confident	87.5	Confident	65 Å²	65	64 Å²	64	39%	0.394	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	127.7	174.1	-168.2	0	0	0	0	108	Q421 A422 F423	V316-Q421 HydrophobicContact CG1-CB 3.75Å; V316-Q421 HydrophobicContact CG1-CG 4.21Å; V316-A422 WeakPolarHBondContact CA-O 3.35Å; V316-F423 HydrophobicContact CB-CD1 4.37Å; V316-F423 HydrophobicContact CB-CE1 4.47Å; V316-F423 HydrophobicContact CG1-CD1 4.18Å; V316-F423 HydrophobicContact CG1-CE1 4.11Å; V316-F423 HydrophobicContact CG2-CD1 3.71Å; V316-F423 HydrophobicContact CG2-CE1 3.63Å
317	I	91.2	Very high	87.2	Confident	12 Å²	12	67.5 Å²	67.5	6%	0.062	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	153.9	163	61	171.4	0	0	0	109.1	I306 W334 I346 V399 Q421 A422 I424	I306-I317 HydrophobicContact CD1-CG2 3.48Å; I306-I317 VanDerWaalsContact CD1-CG2 3.48Å; I317-W334 HydrophobicContact CB-CD2 4.45Å; I317-W334 HydrophobicContact CB-CZ2 4.5Å; I317-W334 HydrophobicContact CD1-CD2 4.24Å; I317-W334 HydrophobicContact CD1-CE3 4.23Å; I317-W334 HydrophobicContact CG2-CD2 4.29Å; I317-W334 HydrophobicContact CG2-CG 4.02Å; I317-I346 HydrophobicContact CD1-CD1 4.41Å; I317-V399 HydrophobicContact CD1-CB 4.01Å; I317-V399 HydrophobicContact CD1-CG1 3.77Å; I317-V399 HydrophobicContact CD1-CG2 4.16Å; I317-Q421 WeakPolarHBondContact O-CA 3.31Å; I317-A422 HydrophobicContact CD1-CB 4.47Å; I317-A422 HydrophobicContact CG1-CB 3.98Å; I317-A422 PolarHBondContact N-O 2.98Å; I317-A422 VanDerWaalsContact N-O 3.09Å; I317-A422 PolarHBondContact O-N 3.33Å; I317-I424 HydrophobicContact CB-CD1 4.35Å; I317-I424 HydrophobicContact CD1-CD1 3.82Å; I317-I424 HydrophobicContact CG1-CD1 3.75Å; I317-I424 HydrophobicContact CG2-CD1 3.78Å
318	S	90.4	Very high	86.9	Confident	31 Å²	31	61.2 Å²	61.2	22%	0.217	33%	0.328	C	S	.	.			trans	-140.7	157.1	-179.2	-53.3	0	0	0	0	109.1	W334 Q421	S318-W334 WeakPolarHBondContact O-CZ2 3.4Å; S318-Q421 WeakPolarHBondContact OG-CG 3.45Å; S318-Q421 PolarHBondContact OG-NE2 3.15Å; S318-Q421 VanDerWaalsContact OG-NE2 3.15Å
319	S	89.9	Confident	87	Confident	9 Å²	9	61.7 Å²	61.7	6%	0.063	34%	0.335	C	S	.	.			trans	-59.5	157.1	171.9	59	0	0	0	0	111.6	D321 Y322 V419	S319-D321 PolarHBondContact O-N 3.21Å; S319-Y322 WeakPolarHBondContact O-CB 3.17Å; S319-Y322 PolarHBondContact O-N 3.02Å; S319-V419 WeakPolarHBondContact CB-O 3.43Å; S319-V419 PolarHBondContact OG-O 2.98Å
320	P	89.3	Confident	87.4	Confident	3 Å²	3	60.7 Å²	60.7	2%	0.019	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-46.5	140	169.3	-24	28.5	0	0	0	111.9	C302 Y322 Q330 F401	C302-P320 VanDerWaalsContact SG-CG 3.53Å; P320-Y322 PolarHBondContact O-N 3.46Å; P320-Q330 HydrophobicContact CB-CB 4.4Å; P320-Q330 HydrophobicContact CG-CB 4.05Å; P320-F401 VanDerWaalsContact CD-CD1 3.48Å; P320-F401 HydrophobicContact CG-CD1 3.58Å; P320-F401 HydrophobicContact CG-CE1 3.56Å; P320-F401 HydrophobicContact CG-CG 4.28Å; P320-F401 HydrophobicContact CG-CZ 4.23Å
321	D	88	Confident	88	Confident	66 Å²	66	58.3 Å²	58.3	35%	0.353	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.5	3.5	174.3	-57.9	-41.2	0	0	0	116.6	S319 N324 K327 Q330	S319-D321 PolarHBondContact O-N 3.21Å; D321-N324 HydrophobicContact CB-CB 4.49Å; D321-N324 WeakPolarHBondContact O-CA 3.2Å; D321-N324 WeakPolarHBondContact O-CB 3.25Å; D321-N324 PolarHBondContact O-N 2.83Å; D321-N324 PolarHBondContact O-ND2 2.95Å; D321-K327 IonicContact OD2-NZ 3.38Å; D321-Q330 PolarHBondContact OD2-NE2 3.3Å
322	Y	83.9	Confident	88.9	Confident	72 Å²	72	51.5 Å²	51.5	28%	0.282	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.4	134.9	177.9	-177.7	-85.1	0	0	0	112.3	S319 P320 D350 V419 Q421	S319-Y322 WeakPolarHBondContact O-CB 3.17Å; S319-Y322 PolarHBondContact O-N 3.02Å; P320-Y322 PolarHBondContact O-N 3.46Å; Y322-D350 PolarHBondContact OH-OD2 3.37Å; Y322-V419 VanDerWaalsContact CD2-O 3.28Å; Y322-V419 WeakPolarHBondContact CD2-O 3.46Å; Y322-Q421 HydrophobicContact CD1-CG 4.38Å; Y322-Q421 HydrophobicContact CE1-CG 3.89Å; Y322-Q421 HydrophobicContact CE2-CG 4.43Å
323	P	87.3	Confident	89.4	Confident	86 Å²	86	47.7 Å²	47.7	56%	0.558	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	cis	-85.6	10.3	11.1	36.1	-38.1	0	0	0	115.2	P418	P323-P418 WeakPolarHBondContact O-CB 3.3Å
324	N	85.4	Confident	90	Very high	104 Å²	104	43.3 Å²	43.3	56%	0.556	23%	0.226	S	C	*	.	S	Bend	trans	-80.6	160.4	176.5	-53.2	-64	0	0	0	111.3	D321	D321-N324 HydrophobicContact CB-CB 4.49Å; D321-N324 WeakPolarHBondContact O-CA 3.2Å; D321-N324 WeakPolarHBondContact O-CB 3.25Å; D321-N324 PolarHBondContact O-N 2.83Å; D321-N324 PolarHBondContact O-ND2 2.95Å
325	P	84.5	Confident	90.5	Very high	43 Å²	43	36.7 Å²	36.7	28%	0.279	20%	0.201	S	C	.	.			trans	-42.6	135.9	163.3	-38	43.1	0	0	0	114.4	E415 G416	P325-E415 HydrophobicContact CB-CB 3.85Å; P325-G416 WeakPolarHBondContact CA-O 3.28Å; P325-G416 WeakPolarHBondContact CB-O 3.17Å
326	F	87.2	Confident	90.7	Very high	4 Å²	4	34.6 Å²	34.6	2%	0.018	19%	0.19	C	C	.	.			trans	-76.2	158.3	167.1	66.2	-94.9	0	0	0	110.1	M354 F401 A403 E415 G416 P417 V419	F326-M354 HydrophobicContact CE1-CE 4.36Å; F326-M354 HydrophobicContact CZ-CE 4.24Å; F326-F401 HydrophobicContact CB-CE1 4.32Å; F326-F401 HydrophobicContact CB-CZ 3.78Å; F326-F401 HydrophobicContact CD1-CE2 4.38Å; F326-F401 AromaticContact CD1-CZ 3.88Å; F326-F401 HydrophobicContact CD1-CZ 3.88Å; F326-F401 HydrophobicContact CD2-CE1 4.34Å; F326-F401 AromaticContact CD2-CZ 3.79Å; F326-F401 HydrophobicContact CD2-CZ 3.79Å; F326-F401 HydrophobicContact CE1-CZ 4.4Å; F326-F401 HydrophobicContact CE2-CZ 4.31Å; F326-F401 HydrophobicContact CG-CE1 4.35Å; F326-F401 HydrophobicContact CG-CE2 4.45Å; F326-F401 AromaticContact CG-CZ 3.55Å; F326-F401 HydrophobicContact CG-CZ 3.55Å; F326-A403 HydrophobicContact CD2-CB 3.5Å; F326-A403 HydrophobicContact CE2-CB 3.54Å; F326-E415 WeakPolarHBondContact O-CA 3.5Å; F326-G416 PolarHBondContact N-O 3.31Å; F326-G416 PolarHBondContact O-N 3Å; F326-P417 WeakPolarHBondContact CD1-O 3.24Å; F326-P417 WeakPolarHBondContact CE1-O 3.37Å; F326-V419 HydrophobicContact CD1-CG2 3.78Å; F326-V419 HydrophobicContact CE1-CG2 3.55Å
327	K	89.4	Confident	91	Very high	108 Å²	108	35 Å²	35	47%	0.47	19%	0.186	S	C	.	.	B	Isolated β-bridge	trans	-104.9	154.2	179.9	-59.7	171.2	-173.3	162.1	0	111	D321 Q330 A403	D321-K327 IonicContact OD2-NZ 3.38Å; K327-Q330 HydrophobicContact CB-CG 4.1Å; K327-Q330 WeakPolarHBondContact O-CB 3.48Å; K327-Q330 WeakPolarHBondContact O-CG 3.13Å; K327-Q330 PolarHBondContact O-N 2.86Å; K327-Q330 PolarHBondContact O-OE1 2.92Å; K327-A403 WeakPolarHBondContact O-CB 3.12Å
328	K	87	Confident	91	Very high	59 Å²	59	34.8 Å²	34.8	26%	0.257	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	146.3	174.2	-69.6	-177.9	-179.6	166.4	0	112.3	Q330 S404 N407 H413	K328-Q330 PolarHBondContact O-N 3.18Å; K328-S404 WeakPolarHBondContact CB-O 3.21Å; K328-N407 PolarHBondContact NZ-OD1 3.37Å; K328-H413 WeakPolarHBondContact CE-O 3.17Å; K328-H413 PolarHBondContact NZ-O 3.03Å
329	G	90	Very high	91	Very high	24 Å²	24	38.4 Å²	38.4	25%	0.247	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.1	-0.8	-179.5	0	0	0	0	0	114.8	A403 S404	G329-A403 VanDerWaalsContact CA-O 3.25Å; G329-A403 WeakPolarHBondContact CA-O 3.27Å; G329-A403 PolarHBondContact N-O 2.82Å; G329-S404 PolarHBondContact N-O 2.84Å
330	Q	93.7	Very high	90.9	Very high	4 Å²	4	43.3 Å²	43.3	2%	0.019	23%	0.233	C	C	.	.			trans	-71.6	133.2	175.4	-71.5	-175.1	-40.7	0	0	111	K298 E299 P320 D321 K327 K328 F401 A403	K298-Q330 WeakPolarHBondContact O-CA 3.27Å; E299-Q330 HydrophobicContact CB-CG 4.15Å; E299-Q330 WeakPolarHBondContact O-CG 3.28Å; E299-Q330 PolarHBondContact O-NE2 3.12Å; E299-Q330 VanDerWaalsContact O-NE2 3.15Å; P320-Q330 HydrophobicContact CB-CB 4.4Å; P320-Q330 HydrophobicContact CG-CB 4.05Å; D321-Q330 PolarHBondContact OD2-NE2 3.3Å; K327-Q330 HydrophobicContact CB-CG 4.1Å; K327-Q330 WeakPolarHBondContact O-CB 3.48Å; K327-Q330 WeakPolarHBondContact O-CG 3.13Å; K327-Q330 PolarHBondContact O-N 2.86Å; K327-Q330 PolarHBondContact O-OE1 2.92Å; K328-Q330 PolarHBondContact O-N 3.18Å; Q330-F401 HydrophobicContact CB-CE1 4.38Å; Q330-A403 PolarHBondContact O-N 2.96Å
331	S	94.8	Very high	90.7	Very high	14 Å²	14	47.2 Å²	47.2	10%	0.098	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	139.5	171.5	-175.7	0	0	0	0	111.1	S297 K298 F401	S297-S331 CarbonylContact C-O 3.5Å; S297-S331 VanDerWaalsContact CA-O 3.23Å; S297-S331 WeakPolarHBondContact CA-O 3.26Å; S297-S331 WeakPolarHBondContact CB-O 3.49Å; K298-S331 PolarHBondContact N-O 3.16Å; K298-S331 PolarHBondContact O-N 2.8Å; K298-S331 VanDerWaalsContact O-N 3.08Å; S331-F401 VanDerWaalsContact CA-O 3.26Å; S331-F401 WeakPolarHBondContact CA-O 3.05Å; S331-F401 PolarHBondContact OG-O 3.41Å; S331-F401 VanDerWaalsContact OG-O 3.08Å
332	C	96.4	Very high	90.6	Very high	2 Å²	2	46 Å²	46	1%	0.014	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	146.2	177	-73.2	0	0	0	0	110.1	C302 W334 I400 F401	C302-C332 WeakPolarHBondContact CA-SG 3.33Å; C302-C332 HydrophobicContact CB-CB 4Å; C302-C332 WeakPolarHBondContact CB-SG 3.11Å; C302-C332 WeakPolarHBondContact SG-CB 3.43Å; C302-C332 CovalentContact SG-SG 2.02Å; C302-C332 PolarHBondContact SG-SG 3.39Å; C332-W334 HydrophobicContact CB-CE3 4.45Å; C332-W334 HydrophobicContact CB-CH2 3.55Å; C332-W334 HydrophobicContact CB-CZ2 4.03Å; C332-W334 HydrophobicContact CB-CZ3 3.77Å; C332-I400 CarbonylContact O-C 3.53Å; C332-I400 WeakPolarHBondContact O-CA 3.34Å; C332-F401 HydrophobicContact CB-CB 4.46Å; C332-F401 PolarHBondContact N-O 3.41Å; C332-F401 PolarHBondContact O-N 2.93Å
333	S	97.6	Very high	90.7	Very high	2 Å²	2	50.3 Å²	50.3	1%	0.014	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	136.4	171.8	-171.1	0	0	0	0	112	G285 N294 G303 G304 V398 V399	G285-S333 WeakPolarHBondContact CA-OG 3.4Å; G285-S333 WeakPolarHBondContact O-CB 3.34Å; G285-S333 PolarHBondContact O-OG 3.38Å; N294-S333 WeakPolarHBondContact CB-O 3.29Å; N294-S333 PolarHBondContact ND2-O 3.22Å; G303-S333 CarbonylContact C-O 3.28Å; G303-S333 WeakPolarHBondContact CA-O 3.43Å; G304-S333 PolarHBondContact N-O 3.19Å; S333-V398 WeakPolarHBondContact OG-CG1 3.39Å; S333-V399 CarbonylContact C-O 3.55Å; S333-V399 WeakPolarHBondContact CA-O 3.46Å; S333-V399 PolarHBondContact OG-O 3.05Å
334	W	97.6	Very high	91	Very high	18 Å²	18	46.2 Å²	46.2	7%	0.068	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	125.7	175.3	-61.8	-91.5	0	0	0	110	C302 G304 I306 I317 S318 C332 I336 V398 V399 F401	C302-W334 HydrophobicContact CB-CH2 4.39Å; C302-W334 HydrophobicContact CB-CZ2 3.76Å; G304-W334 CarbonylContact O-C 3.56Å; G304-W334 VanDerWaalsContact O-CA 3.26Å; G304-W334 WeakPolarHBondContact O-CA 3.24Å; I306-W334 HydrophobicContact CD1-CB 4.48Å; I306-W334 HydrophobicContact CD1-CG 4.33Å; I317-W334 HydrophobicContact CB-CD2 4.45Å; I317-W334 HydrophobicContact CB-CZ2 4.5Å; I317-W334 HydrophobicContact CD1-CD2 4.24Å; I317-W334 HydrophobicContact CD1-CE3 4.23Å; I317-W334 HydrophobicContact CG2-CD2 4.29Å; I317-W334 HydrophobicContact CG2-CG 4.02Å; S318-W334 WeakPolarHBondContact O-CZ2 3.4Å; C332-W334 HydrophobicContact CB-CE3 4.45Å; C332-W334 HydrophobicContact CB-CH2 3.55Å; C332-W334 HydrophobicContact CB-CZ2 4.03Å; C332-W334 HydrophobicContact CB-CZ3 3.77Å; W334-I336 HydrophobicContact CB-CD1 4.21Å; W334-I336 HydrophobicContact CB-CG1 4.43Å; W334-V398 WeakPolarHBondContact O-CA 3.46Å; W334-V399 HydrophobicContact CE3-CB 4.34Å; W334-V399 HydrophobicContact CE3-CG1 4.3Å; W334-V399 PolarHBondContact N-O 2.7Å; W334-V399 PolarHBondContact O-N 2.9Å; W334-F401 HydrophobicContact CH2-CB 4.12Å; W334-F401 HydrophobicContact CZ3-CB 3.79Å
335	V	97	Very high	91.2	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	109.1	171.2	177.2	0	0	0	0	107.6	L286 N294 G304 V305 I306 K337 L396 V398	L286-V335 HydrophobicContact CD2-CG2 3.62Å; N294-V335 HydrophobicContact CB-CB 4.44Å; N294-V335 HydrophobicContact CB-CG2 3.72Å; G304-V335 PolarHBondContact O-N 2.87Å; V305-V335 CarbonylContact C-O 3.57Å; V305-V335 VanDerWaalsContact CA-O 3.3Å; V305-V335 WeakPolarHBondContact CA-O 3.45Å; V305-V335 HydrophobicContact CG2-CB 4.33Å; I306-V335 PolarHBondContact N-O 3.3Å; V335-K337 HydrophobicContact CG1-CG 4.26Å; V335-L396 HydrophobicContact CG1-CD1 3.71Å; V335-V398 HydrophobicContact CG2-CG2 4.3Å
336	I	95.1	Very high	91.6	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	121.7	-175.8	-59.9	129.8	0	0	0	108.6	I306 A308 W334 L344 L396 L397 V399 I424	I306-I336 HydrophobicContact CB-CG1 4.18Å; I306-I336 CarbonylContact O-C 3.56Å; I306-I336 WeakPolarHBondContact O-CA 3.38Å; A308-I336 HydrophobicContact CB-CG2 3.96Å; W334-I336 HydrophobicContact CB-CD1 4.21Å; W334-I336 HydrophobicContact CB-CG1 4.43Å; I336-L344 HydrophobicContact CB-CD1 4.39Å; I336-L344 HydrophobicContact CG2-CD1 3.83Å; I336-L344 HydrophobicContact CG2-CD2 4.5Å; I336-L344 VanDerWaalsContact O-CD1 3.28Å; I336-L344 WeakPolarHBondContact O-CD1 3.4Å; I336-L396 WeakPolarHBondContact O-CA 3.3Å; I336-L396 WeakPolarHBondContact O-CD1 3.43Å; I336-L397 HydrophobicContact CB-CB 4.27Å; I336-L397 HydrophobicContact CD1-CB 4.47Å; I336-L397 HydrophobicContact CD1-CD2 3.97Å; I336-L397 HydrophobicContact CD1-CG 4.47Å; I336-L397 PolarHBondContact N-O 2.88Å; I336-L397 PolarHBondContact O-N 2.99Å; I336-V399 HydrophobicContact CD1-CB 4.44Å; I336-V399 HydrophobicContact CD1-CG2 3.71Å; I336-I424 HydrophobicContact CD1-CD1 3.7Å; I336-I424 HydrophobicContact CG1-CD1 4.1Å; I336-I424 HydrophobicContact CG1-CG2 4.47Å; I336-I424 HydrophobicContact CG2-CG2 3.56Å
337	K	94.3	Very high	91.7	Very high	73 Å²	73	44.1 Å²	44.1	32%	0.317	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	122.4	-176.8	-56.7	-172.5	177.9	180	0	109.8	Q292 V305 I306 R307 A308 V335 L396	Q292-K337 PolarHBondContact O-NZ 3.45Å; Q292-K337 VanDerWaalsContact O-NZ 3.1Å; V305-K337 HydrophobicContact CG1-CD 3.93Å; V305-K337 HydrophobicContact CG1-CG 4.29Å; I306-K337 PolarHBondContact O-N 3.13Å; R307-K337 WeakPolarHBondContact CA-O 3.44Å; A308-K337 PolarHBondContact N-O 2.86Å; V335-K337 HydrophobicContact CG1-CG 4.26Å; K337-L396 HydrophobicContact CG-CD1 3.76Å
338	G	91.6	Very high	91.7	Very high	9 Å²	9	40.6 Å²	40.6	9%	0.093	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-92.7	168.1	168.7	0	0	0	0	0	111.9	N395 D426	G338-N395 PolarHBondContact N-O 3.27Å; G338-N395 PolarHBondContact O-ND2 2.85Å; G338-D426 VanDerWaalsContact CA-OD1 3.31Å; G338-D426 WeakPolarHBondContact CA-OD1 3.27Å
339	E	90.1	Very high	91.4	Very high	106 Å²	106	40.3 Å²	40.3	50%	0.495	23%	0.229	S	C	.	.	P	Polyproline II helix	trans	-66.5	153.7	175.2	-70.3	-62.9	147.5	0	0	111.6	R307 G341 T342 D426	R307-E339 IonicContact NH1-OE1 4Å; E339-G341 PolarHBondContact O-N 3.37Å; E339-G341 VanDerWaalsContact O-N 3.16Å; E339-T342 HydrophobicContact CB-CG2 4.04Å; E339-T342 PolarHBondContact N-OG1 3.33Å; E339-T342 PolarHBondContact O-N 2.86Å; E339-T342 PolarHBondContact O-OG1 2.93Å; E339-D426 PolarHBondContact N-OD2 2.8Å; E339-D426 VanDerWaalsContact N-OD2 3.14Å
340	P	87.7	Confident	90.6	Very high	112 Å²	112	42.5 Å²	42.5	73%	0.727	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.9	124.8	178.4	-26.2	35.5	0	0	0	112.4
341	G	85.2	Confident	89.7	Confident	85 Å²	85	49.4 Å²	49.4	88%	0.876	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.9	0.1	178.3	0	0	0	0	0	115.4	E339	E339-G341 PolarHBondContact O-N 3.37Å; E339-G341 VanDerWaalsContact O-N 3.16Å
342	T	87.4	Confident	89.1	Confident	42 Å²	42	49.3 Å²	49.3	26%	0.258	26%	0.262	S	S	.	.			trans	-90.7	176.1	172.9	65.6	0	0	0	0	111.7	E339 D426	E339-T342 HydrophobicContact CB-CG2 4.04Å; E339-T342 PolarHBondContact N-OG1 3.33Å; E339-T342 PolarHBondContact O-N 2.86Å; E339-T342 PolarHBondContact O-OG1 2.93Å; T342-D426 WeakPolarHBondContact CB-OD1 3.5Å; T342-D426 VanDerWaalsContact OG1-CG 3.31Å; T342-D426 PolarHBondContact OG1-OD1 2.89Å; T342-D426 PolarHBondContact OG1-OD2 3.44Å
343	R	86.5	Confident	88.4	Confident	161 Å²	161	50.5 Å²	50.5	61%	0.608	27%	0.271	S	S	*	.			trans	-133.5	124.9	175	-76	-173.6	176.8	-179.6	-2	109.6	W391	R343-W391 HydrophobicContact CB-CE3 4.15Å; R343-W391 HydrophobicContact CB-CZ3 4.19Å
344	L	91.6	Very high	87.8	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.274	C	S	.	.			trans	-79.1	149.9	178.2	-58	177	0	0	0	111.4	A308 I336 A392 L397 N425 D426	A308-L344 HydrophobicContact CB-CD2 3.32Å; I336-L344 HydrophobicContact CB-CD1 4.39Å; I336-L344 HydrophobicContact CG2-CD1 3.83Å; I336-L344 HydrophobicContact CG2-CD2 4.5Å; I336-L344 VanDerWaalsContact O-CD1 3.28Å; I336-L344 WeakPolarHBondContact O-CD1 3.4Å; L344-A392 HydrophobicContact CB-CB 3.97Å; L344-A392 PolarHBondContact O-N 2.81Å; L344-L397 HydrophobicContact CD1-CB 3.9Å; L344-N425 WeakPolarHBondContact CA-O 3.24Å; L344-D426 HydrophobicContact CD2-CB 4.17Å; L344-D426 WeakPolarHBondContact CD2-OD1 3.48Å
345	F	91.2	Very high	87.2	Confident	30 Å²	30	53.4 Å²	53.4	13%	0.132	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	153.8	162.7	68.6	-93.4	0	0	0	111.9	F311 V389 V390 W391 N425	F311-F345 HydrophobicContact CD2-CZ 4.41Å; F345-V389 HydrophobicContact CB-CB 4.05Å; F345-V389 HydrophobicContact CB-CG2 4.07Å; F345-V389 HydrophobicContact CD2-CB 3.8Å; F345-V389 HydrophobicContact CD2-CG1 3.54Å; F345-V389 HydrophobicContact CD2-CG2 4.29Å; F345-V389 HydrophobicContact CE2-CG1 3.97Å; F345-V389 HydrophobicContact CG-CB 4.24Å; F345-V389 HydrophobicContact CG-CG1 4.37Å; F345-V389 HydrophobicContact CG-CG2 4.33Å; F345-V390 VanDerWaalsContact CA-O 3.26Å; F345-V390 WeakPolarHBondContact CA-O 3.39Å; F345-W391 HydrophobicContact CB-CD2 3.95Å; F345-W391 HydrophobicContact CB-CE3 3.8Å; F345-W391 HydrophobicContact CB-CH2 4.33Å; F345-W391 HydrophobicContact CB-CZ2 4.47Å; F345-W391 HydrophobicContact CB-CZ3 4.01Å; F345-W391 HydrophobicContact CD1-CE3 4.3Å; F345-W391 AromaticContact CD1-CH2 3.55Å; F345-W391 HydrophobicContact CD1-CH2 3.55Å; F345-W391 HydrophobicContact CD1-CZ2 4.2Å; F345-W391 AromaticContact CD1-CZ3 3.62Å; F345-W391 HydrophobicContact CD1-CZ3 3.62Å; F345-W391 HydrophobicContact CE1-CH2 4.17Å; F345-W391 HydrophobicContact CG-CH2 4.21Å; F345-W391 HydrophobicContact CG-CZ2 4.48Å; F345-W391 HydrophobicContact CG-CZ3 4.23Å; F345-N425 HydrophobicContact CD1-CB 4.25Å; F345-N425 HydrophobicContact CE1-CB 3.58Å; F345-N425 HydrophobicContact CE2-CB 3.92Å; F345-N425 HydrophobicContact CZ-CB 3.39Å; F345-N425 PolarHBondContact N-O 3.06Å; F345-N425 PolarHBondContact O-N 3.26Å
346	I	91.6	Very high	86.8	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	139.3	174.4	-174.4	167.5	0	0	0	110.5	I317 V366 V389 V390 L397 V399 A422 F423 I424	I317-I346 HydrophobicContact CD1-CD1 4.41Å; I346-V366 HydrophobicContact CG2-CG1 4.13Å; I346-V389 CarbonylContact O-C 3.48Å; I346-V389 VanDerWaalsContact O-CA 3.27Å; I346-V389 WeakPolarHBondContact O-CA 3Å; I346-V390 HydrophobicContact CG2-CB 3.76Å; I346-V390 HydrophobicContact CG2-CG2 4.36Å; I346-V390 PolarHBondContact N-O 3.25Å; I346-V390 PolarHBondContact O-N 3.27Å; I346-L397 HydrophobicContact CB-CD2 3.91Å; I346-L397 HydrophobicContact CD1-CD2 4.38Å; I346-L397 HydrophobicContact CG2-CD2 3.98Å; I346-V399 HydrophobicContact CD1-CG2 3.64Å; I346-A422 HydrophobicContact CD1-CB 3.88Å; I346-A422 HydrophobicContact CG1-CB 3.94Å; I346-F423 WeakPolarHBondContact CA-O 3.33Å; I346-I424 HydrophobicContact CB-CG1 4.49Å; I346-I424 HydrophobicContact CD1-CG1 4.18Å; I346-I424 HydrophobicContact CG1-CG1 4.08Å
347	E	90.2	Very high	86.6	Confident	78 Å²	78	58.5 Å²	58.5	36%	0.364	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	132.1	177.4	-164.5	179	178.2	0	0	110.4	V349 V389 A422 F423	E347-V349 HydrophobicContact CB-CG1 4.08Å; E347-V349 HydrophobicContact CG-CG1 3.86Å; E347-V389 HydrophobicContact CB-CG1 4.04Å; E347-V389 HydrophobicContact CG-CG1 4.16Å; E347-A422 CarbonylContact O-C 3.56Å; E347-A422 WeakPolarHBondContact O-CA 3.38Å; E347-A422 WeakPolarHBondContact O-CB 3.45Å; E347-F423 PolarHBondContact N-O 2.88Å; E347-F423 PolarHBondContact O-N 2.87Å
348	F	89.3	Confident	86.5	Confident	34 Å²	34	58.3 Å²	58.3	15%	0.149	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	114.7	170.6	-65	-91.7	0	0	0	108.6	F352 V364 V366 Y379 L385 P386	F348-F352 AromaticContact CD1-CD2 3.91Å; F348-F352 HydrophobicContact CD1-CD2 3.91Å; F348-F352 HydrophobicContact CD1-CE2 4.25Å; F348-F352 HydrophobicContact CE1-CD2 4.12Å; F348-F352 AromaticContact CE1-CE2 3.98Å; F348-F352 HydrophobicContact CE1-CE2 3.98Å; F348-V364 HydrophobicContact CE1-CB 4.38Å; F348-V364 HydrophobicContact CE1-CG1 4.12Å; F348-V364 HydrophobicContact CZ-CG1 4.26Å; F348-V366 HydrophobicContact CZ-CG2 4.32Å; F348-Y379 HydrophobicContact CE2-CD2 4.2Å; F348-Y379 HydrophobicContact CE2-CE2 4.27Å; F348-Y379 AromaticContact CZ-CD2 3.77Å; F348-Y379 HydrophobicContact CZ-CD2 3.77Å; F348-Y379 HydrophobicContact CZ-CE2 4.22Å; F348-Y379 HydrophobicContact CZ-CG 4.18Å; F348-L385 HydrophobicContact CB-CD1 4.12Å; F348-L385 HydrophobicContact CB-CD2 4.49Å; F348-L385 HydrophobicContact CD1-CD2 4Å; F348-L385 HydrophobicContact CD2-CD2 3.95Å; F348-L385 HydrophobicContact CE1-CD2 4.14Å; F348-L385 HydrophobicContact CE2-CD2 4.11Å; F348-L385 HydrophobicContact CG-CD1 4.39Å; F348-L385 HydrophobicContact CG-CD2 3.89Å; F348-L385 HydrophobicContact CZ-CD2 4.2Å; F348-P386 HydrophobicContact CD2-CG 4.1Å; F348-P386 HydrophobicContact CE2-CG 4.22Å
349	V	81.2	Confident	86.7	Confident	53 Å²	53	59.1 Å²	59.1	32%	0.321	33%	0.334	S	S	.	.			trans	-115.1	-26.1	-165.4	-70.3	0	0	0	0	115.5	E347 Q421 F423	E347-V349 HydrophobicContact CB-CG1 4.08Å; E347-V349 HydrophobicContact CG-CG1 3.86Å; V349-Q421 HydrophobicContact CG2-CB 4.27Å; V349-Q421 VanDerWaalsContact CG2-O 3.27Å; V349-Q421 WeakPolarHBondContact CG2-O 3.28Å; V349-Q421 PolarHBondContact N-O 2.88Å; V349-F423 HydrophobicContact CB-CD2 3.79Å; V349-F423 HydrophobicContact CB-CE2 3.76Å; V349-F423 HydrophobicContact CB-CG 4.32Å; V349-F423 HydrophobicContact CB-CZ 4.33Å; V349-F423 HydrophobicContact CG1-CB 4.13Å; V349-F423 HydrophobicContact CG1-CD2 3.18Å; V349-F423 HydrophobicContact CG1-CE2 3.64Å; V349-F423 HydrophobicContact CG1-CG 3.78Å; V349-F423 HydrophobicContact CG2-CD1 3.86Å; V349-F423 HydrophobicContact CG2-CD2 3.67Å; V349-F423 HydrophobicContact CG2-CE1 3.88Å; V349-F423 HydrophobicContact CG2-CE2 3.64Å; V349-F423 HydrophobicContact CG2-CG 3.76Å; V349-F423 HydrophobicContact CG2-CZ 3.76Å
350	D	71.9	Confident	86.9	Confident	69 Å²	69	54.3 Å²	54.3	37%	0.369	31%	0.312	S	S	.	.	S	Bend	trans	-111.2	177.8	178.3	-167.2	14.8	0	0	0	110.5	Y322 F352 Q421	Y322-D350 PolarHBondContact OH-OD2 3.37Å; D350-F352 PolarHBondContact O-N 3.16Å; D350-Q421 HydrophobicContact CB-CB 4.38Å
351	K	75.7	Confident	87.1	Confident	149 Å²	149	53.8 Å²	53.8	65%	0.648	30%	0.3	S	S	*	.			trans	-55.2	107.6	-179.3	-170	-175.9	-179.5	-169.8	0	110.9	S353 G420	K351-S353 VanDerWaalsContact CE-OG 3.27Å; K351-S353 WeakPolarHBondContact CE-OG 3.33Å; K351-G420 VanDerWaalsContact O-CA 3.27Å; K351-G420 WeakPolarHBondContact O-CA 3.39Å; K351-G420 PolarHBondContact O-N 2.76Å
352	F	82.8	Confident	87.5	Confident	12 Å²	12	51.2 Å²	51.2	5%	0.053	27%	0.266	C	S	.	.			trans	-82.8	119.7	168.6	-169.8	-87.1	0	0	0	109.1	F348 D350 M354 V364 Y379 L385 V419	F348-F352 AromaticContact CD1-CD2 3.91Å; F348-F352 HydrophobicContact CD1-CD2 3.91Å; F348-F352 HydrophobicContact CD1-CE2 4.25Å; F348-F352 HydrophobicContact CE1-CD2 4.12Å; F348-F352 AromaticContact CE1-CE2 3.98Å; F348-F352 HydrophobicContact CE1-CE2 3.98Å; D350-F352 PolarHBondContact O-N 3.16Å; F352-M354 HydrophobicContact CE1-CB 4.03Å; F352-M354 HydrophobicContact CE1-CG 3.95Å; F352-M354 HydrophobicContact CE1-SD 4.19Å; F352-M354 HydrophobicContact CE2-SD 4.28Å; F352-M354 HydrophobicContact CZ-CB 4.37Å; F352-M354 HydrophobicContact CZ-CG 3.87Å; F352-M354 HydrophobicContact CZ-SD 3.57Å; F352-M354 VanDerWaalsContact CZ-SD 3.57Å; F352-V364 HydrophobicContact CE2-CB 4.29Å; F352-V364 HydrophobicContact CE2-CG2 3.83Å; F352-V364 HydrophobicContact CZ-CG2 4.38Å; F352-Y379 WeakPolarHBondContact CZ-O 3.24Å; F352-L385 HydrophobicContact CB-CD1 3.54Å; F352-L385 HydrophobicContact CD1-CD1 4.3Å; F352-L385 HydrophobicContact CD1-CD2 4.37Å; F352-L385 HydrophobicContact CD2-CD1 4.4Å; F352-L385 HydrophobicContact CD2-CD2 4.21Å; F352-L385 HydrophobicContact CE2-CD2 4.42Å; F352-L385 HydrophobicContact CG-CD1 3.84Å; F352-L385 HydrophobicContact CG-CD2 4.19Å; F352-L385 HydrophobicContact CG-CG 4.41Å; F352-V419 HydrophobicContact CD2-CG1 3.85Å; F352-V419 HydrophobicContact CE2-CG1 3.82Å
353	S	80.9	Confident	87.8	Confident	27 Å²	27	49.5 Å²	49.5	19%	0.189	26%	0.255	C	S	.	.			trans	-140.1	96.8	179.3	-70.4	0	0	0	0	109.3	K351 P417 V419	K351-S353 VanDerWaalsContact CE-OG 3.27Å; K351-S353 WeakPolarHBondContact CE-OG 3.33Å; S353-P417 WeakPolarHBondContact O-CG 3.19Å; S353-V419 VanDerWaalsContact O-CG2 3.28Å; S353-V419 WeakPolarHBondContact O-CG2 3.46Å
354	M	85.1	Confident	88.2	Confident	18 Å²	18	42.5 Å²	42.5	9%	0.089	23%	0.23	C	C	.	.			trans	-123.9	161.5	167.3	-65.4	-173.9	116.6	0	0	108.5	F326 F352 C356 D362 V364 C380 F401 V419	F326-M354 HydrophobicContact CE1-CE 4.36Å; F326-M354 HydrophobicContact CZ-CE 4.24Å; F352-M354 HydrophobicContact CE1-CB 4.03Å; F352-M354 HydrophobicContact CE1-CG 3.95Å; F352-M354 HydrophobicContact CE1-SD 4.19Å; F352-M354 HydrophobicContact CE2-SD 4.28Å; F352-M354 HydrophobicContact CZ-CB 4.37Å; F352-M354 HydrophobicContact CZ-CG 3.87Å; F352-M354 HydrophobicContact CZ-SD 3.57Å; F352-M354 VanDerWaalsContact CZ-SD 3.57Å; M354-C356 PolarHBondContact O-N 2.75Å; M354-D362 HydrophobicContact CE-CB 3.91Å; M354-V364 HydrophobicContact SD-CG2 4.39Å; M354-C380 CarbonylContact C-O 3.52Å; M354-C380 HydrophobicContact CB-CB 4.32Å; M354-C380 WeakPolarHBondContact CB-O 2.97Å; M354-F401 HydrophobicContact CE-CD2 4.24Å; M354-F401 HydrophobicContact CE-CE2 3.59Å; M354-F401 HydrophobicContact CE-CZ 4.01Å; M354-V419 HydrophobicContact CE-CG2 4.05Å; M354-V419 HydrophobicContact CG-CG1 4.36Å; M354-V419 HydrophobicContact CG-CG2 3.35Å; M354-V419 HydrophobicContact SD-CG2 4.18Å
355	A	85.1	Confident	88.5	Confident	63 Å²	63	42.5 Å²	42.5	52%	0.521	23%	0.23	S	C	.	.			trans	-66.5	125.5	173.8	0	0	0	0	0	109.4
356	C	89.1	Confident	88.7	Confident	73 Å²	73	41.1 Å²	41.1	49%	0.493	22%	0.224	S	C	.	.			trans	-81.6	125.6	179.8	-174.9	0	0	0	0	110.4	M354 C381	M354-C356 PolarHBondContact O-N 2.75Å; C356-C381 WeakPolarHBondContact CA-SG 3.46Å; C356-C381 HydrophobicContact CB-CB 3.86Å; C356-C381 WeakPolarHBondContact CB-SG 3.38Å; C356-C381 WeakPolarHBondContact SG-CB 3.27Å; C356-C381 CovalentContact SG-SG 2.02Å; C356-C381 PolarHBondContact SG-SG 3.02Å
357	S	91.2	Very high	89	Confident	34 Å²	34	41.3 Å²	41.3	24%	0.238	23%	0.225	C	C	.	.			trans	-139.8	152.5	177.1	50.8	0	0	0	0	110.7	R236 T359 C360	R236-S357 VanDerWaalsContact NH1-C 3.32Å; R236-S357 PolarHBondContact NH1-O 2.79Å; S357-T359 VanDerWaalsContact C-N 3.26Å; S357-T359 WeakPolarHBondContact CB-O 3.33Å; S357-T359 PolarHBondContact O-N 3.29Å; S357-T359 PolarHBondContact OG-O 2.84Å; S357-C360 WeakPolarHBondContact OG-CA 3.45Å
358	E	92	Very high	89.2	Confident	69 Å²	69	37.7 Å²	37.7	32%	0.322	21%	0.208	S	C	.	.	S	Bend	trans	-50.5	-48.5	-179.1	176.6	-176.2	160.5	0	0	111.7	P215 T216 R236	P215-E358 WeakPolarHBondContact CD-OE1 3.11Å; P215-E358 HydrophobicContact CG-CG 3.33Å; P215-E358 WeakPolarHBondContact CG-OE1 3.49Å; T216-E358 VanDerWaalsContact CB-OE1 3.27Å; T216-E358 WeakPolarHBondContact CB-OE1 3.46Å; T216-E358 VanDerWaalsContact CG2-CD 3.46Å; T216-E358 HydrophobicContact CG2-CG 4.48Å; T216-E358 WeakPolarHBondContact CG2-OE1 3.35Å; T216-E358 WeakPolarHBondContact CG2-OE2 3.4Å; T216-E358 PolarHBondContact N-OE1 3.14Å; T216-E358 VanDerWaalsContact OG1-CD 3.26Å; T216-E358 PolarHBondContact OG1-OE1 2.83Å; T216-E358 PolarHBondContact OG1-OE2 3.49Å; T216-E358 VanDerWaalsContact OG1-OE2 3.09Å; R236-E358 WeakPolarHBondContact CA-O 3.31Å
359	T	94.8	Very high	89.5	Confident	27 Å²	27	38.1 Å²	38.1	17%	0.166	21%	0.211	C	C	.	.	S	Bend	trans	-114.8	126	168.3	-56.2	0	0	0	0	107.3	I238 Q240 S357 E361	I238-T359 WeakPolarHBondContact O-CG2 3.22Å; I238-T359 PolarHBondContact O-OG1 3.11Å; Q240-T359 HydrophobicContact CB-CG2 3.97Å; S357-T359 VanDerWaalsContact C-N 3.26Å; S357-T359 WeakPolarHBondContact CB-O 3.33Å; S357-T359 PolarHBondContact O-N 3.29Å; S357-T359 PolarHBondContact OG-O 2.84Å; T359-E361 PolarHBondContact O-N 3.37Å
360	C	94.2	Very high	90.1	Very high	4 Å²	4	44.1 Å²	44.1	3%	0.027	23%	0.228	C	C	.	.			trans	-68.1	127.2	-173.3	-61.9	0	0	0	0	111.4	R236 S357 Y363 R378 C380	R236-C360 WeakPolarHBondContact CB-SG 3.26Å; R236-C360 PolarHBondContact O-N 3.4Å; S357-C360 WeakPolarHBondContact OG-CA 3.45Å; C360-Y363 HydrophobicContact CB-CD1 4.16Å; C360-Y363 HydrophobicContact CB-CG 4.36Å; C360-R378 HydrophobicContact CB-CB 4.25Å; C360-C380 VanDerWaalsContact CA-SG 3.54Å; C360-C380 HydrophobicContact CB-CB 3.63Å; C360-C380 WeakPolarHBondContact CB-SG 3.23Å; C360-C380 WeakPolarHBondContact SG-CB 3.35Å; C360-C380 PolarHBondContact SG-N 2.03Å; C360-C380 VanDerWaalsContact SG-N 3.42Å; C360-C380 CovalentContact SG-SG 2.04Å; C360-C380 PolarHBondContact SG-SG 3.23Å
361	E	92.2	Very high	91.2	Very high	101 Å²	101	43.2 Å²	43.2	47%	0.472	22%	0.223	S	C	.	.	S	Bend	trans	-92.4	-52.7	171.3	-64.8	-177.3	174.9	0	0	110.1	T359 Y363 H402	T359-E361 PolarHBondContact O-N 3.37Å; E361-Y363 VanDerWaalsContact O-CD1 3.24Å; E361-Y363 WeakPolarHBondContact O-CD1 3.45Å; E361-Y363 WeakPolarHBondContact O-CE1 3.24Å; E361-H402 PolarHBondContact O-CD2 2.55Å; E361-H402 VanDerWaalsContact O-CD2 3.31Å
362	D	92.7	Very high	92.2	Very high	32 Å²	32	36.6 Å²	36.6	17%	0.171	19%	0.194	C	C	.	.	S	Bend	trans	-91	133.7	163.3	-63.9	-25	0	0	0	108.9	M354 C380 H402 A403 S404	M354-D362 HydrophobicContact CE-CB 3.91Å; D362-C380 WeakPolarHBondContact O-CB 3.1Å; D362-H402 CarbonylContact C-O 3.18Å; D362-H402 WeakPolarHBondContact CA-O 3.02Å; D362-A403 WeakPolarHBondContact OD1-CA 3.38Å; D362-S404 PolarHBondContact OD1-N 3.28Å
363	Y	94.5	Very high	92.9	Very high	5 Å²	5	39.4 Å²	39.4	2%	0.02	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	159.4	-177.1	50.7	-91.3	0	0	0	115.1	E242 C360 E361 E365 R378 Y379 H402	E242-Y363 PolarHBondContact OE2-OH 3.33Å; C360-Y363 HydrophobicContact CB-CD1 4.16Å; C360-Y363 HydrophobicContact CB-CG 4.36Å; E361-Y363 VanDerWaalsContact O-CD1 3.24Å; E361-Y363 WeakPolarHBondContact O-CD1 3.45Å; E361-Y363 WeakPolarHBondContact O-CE1 3.24Å; Y363-E365 HydrophobicContact CD2-CB 3.84Å; Y363-E365 HydrophobicContact CE2-CB 4Å; Y363-R378 HydrophobicContact CD2-CB 4.46Å; Y363-R378 HydrophobicContact CD2-CG 3.84Å; Y363-R378 HydrophobicContact CE2-CG 4.28Å; Y363-R378 HydrophobicContact CG-CB 4.26Å; Y363-R378 HydrophobicContact CG-CG 4.01Å; Y363-R378 PolarHBondContact OH-NH2 3.29Å; Y363-Y379 WeakPolarHBondContact CA-O 3.46Å; Y363-H402 HydrophobicContact CD1-CB 4.31Å; Y363-H402 HydrophobicContact CD2-CB 3.95Å; Y363-H402 HydrophobicContact CE1-CB 3.89Å; Y363-H402 AromaticContact CE1-CD2 3.57Å; Y363-H402 AromaticContact CE1-CG 3.83Å; Y363-H402 HydrophobicContact CE2-CB 3.51Å; Y363-H402 HydrophobicContact CG-CB 4.33Å; Y363-H402 VanDerWaalsContact CZ-CB 3.46Å; Y363-H402 AromaticContact CZ-CD2 3.82Å; Y363-H402 AromaticContact CZ-CG 3.59Å; Y363-H402 PolarHBondContact N-O 3.01Å; Y363-H402 PolarHBondContact O-N 3.1Å
364	V	95.3	Very high	93.7	Very high	14 Å²	14	39.1 Å²	39.1	9%	0.085	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	116.7	152.2	179.3	0	0	0	0	108.2	F348 F352 M354 V366 Y379 V399 I400 F401 V419	F348-V364 HydrophobicContact CE1-CB 4.38Å; F348-V364 HydrophobicContact CE1-CG1 4.12Å; F348-V364 HydrophobicContact CZ-CG1 4.26Å; F352-V364 HydrophobicContact CE2-CB 4.29Å; F352-V364 HydrophobicContact CE2-CG2 3.83Å; F352-V364 HydrophobicContact CZ-CG2 4.38Å; M354-V364 HydrophobicContact SD-CG2 4.39Å; V364-V366 HydrophobicContact CG1-CG2 4.38Å; V364-Y379 PolarHBondContact N-O 3.08Å; V364-Y379 WeakPolarHBondContact O-CD2 3.21Å; V364-Y379 PolarHBondContact O-N 3.38Å; V364-V399 HydrophobicContact CG1-CG1 3.8Å; V364-I400 CarbonylContact C-O 3.56Å; V364-I400 VanDerWaalsContact CA-O 3.3Å; V364-I400 WeakPolarHBondContact CA-O 3.24Å; V364-F401 HydrophobicContact CG2-CD2 4.27Å; V364-V419 HydrophobicContact CG2-CG1 4.41Å
365	E	96.8	Very high	94.3	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.005	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	131.9	173.1	-170.6	177.2	130.2	0	0	110.1	Y363 K367 T375 G376 M377 R378 V399 I400	Y363-E365 HydrophobicContact CD2-CB 3.84Å; Y363-E365 HydrophobicContact CE2-CB 4Å; E365-K367 WeakPolarHBondContact OE1-CE 3.49Å; E365-T375 VanDerWaalsContact OE2-CG2 3.29Å; E365-T375 WeakPolarHBondContact OE2-CG2 3.46Å; E365-G376 PolarHBondContact OE1-N 2.9Å; E365-M377 CarbonylContact C-O 3.47Å; E365-M377 VanDerWaalsContact CA-O 3.27Å; E365-M377 WeakPolarHBondContact CA-O 3.2Å; E365-R378 HydrophobicContact CB-CG 4.06Å; E365-R378 HydrophobicContact CG-CG 3.97Å; E365-R378 IonicContact OE2-CZ 3.39Å; E365-R378 IonicContact OE2-NE 2.92Å; E365-R378 PolarHBondContact OE2-NE 3.16Å; E365-R378 IonicContact OE2-NH2 2.93Å; E365-R378 PolarHBondContact OE2-NH2 3.46Å; E365-V399 CarbonylContact O-C 3.54Å; E365-V399 WeakPolarHBondContact O-CA 3.41Å; E365-I400 HydrophobicContact CB-CB 4.08Å; E365-I400 HydrophobicContact CB-CD1 4.46Å; E365-I400 PolarHBondContact N-O 2.9Å; E365-I400 PolarHBondContact O-N 3.37Å
366	V	96.6	Very high	94.9	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	115.5	175.7	-177	0	0	0	0	109.1	I346 F348 V364 G376 M377 Y379 V390 L397	I346-V366 HydrophobicContact CG2-CG1 4.13Å; F348-V366 HydrophobicContact CZ-CG2 4.32Å; V364-V366 HydrophobicContact CG1-CG2 4.38Å; V366-G376 WeakPolarHBondContact O-CA 3.24Å; V366-M377 PolarHBondContact N-O 3.05Å; V366-M377 PolarHBondContact O-N 2.81Å; V366-Y379 HydrophobicContact CB-CE2 4.14Å; V366-Y379 HydrophobicContact CG2-CD2 4.14Å; V366-Y379 HydrophobicContact CG2-CE2 3.81Å; V366-V390 HydrophobicContact CG1-CG1 4.21Å; V366-L397 HydrophobicContact CG1-CD1 3.82Å
367	K	97.4	Very high	95.3	Very high	4 Å²	4	33 Å²	33	2%	0.017	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	100.5	170.5	-63.3	-177.3	167.3	-165.7	0	109.1	T284 E365 L372 P374 V398	T284-K367 WeakPolarHBondContact O-CE 3.41Å; T284-K367 PolarHBondContact O-NZ 3.02Å; E365-K367 WeakPolarHBondContact OE1-CE 3.49Å; K367-L372 HydrophobicContact CB-CD2 3.91Å; K367-L372 PolarHBondContact NZ-O 2.99Å; K367-P374 VanDerWaalsContact CE-O 3.24Å; K367-P374 WeakPolarHBondContact CE-O 3.42Å; K367-P374 PolarHBondContact NZ-O 3.01Å; K367-V398 HydrophobicContact CB-CB 4.11Å; K367-V398 HydrophobicContact CD-CB 4.42Å; K367-V398 PolarHBondContact N-O 3.13Å; K367-V398 PolarHBondContact O-N 2.83Å; K367-V398 VanDerWaalsContact O-N 3.12Å
368	S	94.8	Very high	95.5	Very high	3 Å²	3	32 Å²	32	2%	0.021	15%	0.147	C	C	.	.			trans	-116.7	-0.3	-175.8	66	0	0	0	0	113.8	M377 A392 E393	S368-M377 WeakPolarHBondContact OG-CE 3.1Å; S368-A392 CarbonylContact O-C 3.52Å; S368-A392 VanDerWaalsContact O-CA 3.32Å; S368-A392 WeakPolarHBondContact O-CA 3.18Å; S368-E393 PolarHBondContact O-N 3.44Å
369	E	94.6	Very high	95.6	Very high	43 Å²	43	29.3 Å²	29.3	20%	0.201	13%	0.134	C	C	.	.	S	Bend	trans	-81.2	158.4	177.9	-54.2	-71.6	145.3	0	0	110.6	K231 Y234 D371	K231-E369 IonicContact NZ-OE1 3.16Å; K231-E369 PolarHBondContact NZ-OE1 3.06Å; K231-E369 IonicContact NZ-OE2 3.5Å; K231-E369 PolarHBondContact NZ-OE2 2.96Å; Y234-E369 WeakPolarHBondContact OH-CG 3.07Å; E369-D371 PolarHBondContact O-N 2.79Å
370	R	94.1	Very high	95.5	Very high	179 Å²	179	28 Å²	28	68%	0.675	13%	0.126	S	C	*	.	S	Bend	trans	-56.5	-38.9	176.1	174.1	-177.4	-73	175	-2.1	113	E393 E394	R370-E393 HydrophobicContact CB-CB 4.39Å; R370-E393 WeakPolarHBondContact CB-OE2 3.45Å; R370-E393 PolarHBondContact N-OE2 3.41Å; R370-E394 HydrophobicContact CB-CG 4.12Å; R370-E394 HydrophobicContact CG-CG 4.05Å; R370-E394 IonicContact CZ-OE1 3.77Å; R370-E394 IonicContact NE-OE1 2.77Å; R370-E394 PolarHBondContact NE-OE1 3.08Å; R370-E394 IonicContact NH2-OE1 3.91Å; R370-E394 PolarHBondContact NH2-OE1 3.41Å
371	D	95.3	Very high	95.3	Very high	50 Å²	50	27.9 Å²	27.9	27%	0.267	13%	0.126	S	C	.	.			trans	-94.4	110.5	177.4	-171	-6.4	0	0	0	109.2	E369 R373 P374	E369-D371 PolarHBondContact O-N 2.79Å; D371-R373 VanDerWaalsContact C-N 3.28Å; D371-R373 PolarHBondContact O-N 3.22Å; D371-R373 VanDerWaalsContact OD1-CB 3.28Å; D371-R373 WeakPolarHBondContact OD1-CB 3.43Å; D371-R373 WeakPolarHBondContact OD1-CG 3.04Å; D371-R373 IonicContact OD1-CZ 2.77Å; D371-R373 PolarHBondContact OD1-N 3.33Å; D371-R373 VanDerWaalsContact OD1-N 3.11Å; D371-R373 IonicContact OD1-NE 3.78Å; D371-R373 PolarHBondContact OD1-NE 3.45Å; D371-R373 IonicContact OD1-NH2 2.64Å; D371-R373 IonicContact OD2-CZ 2.75Å; D371-R373 VanDerWaalsContact OD2-CZ 3.3Å; D371-R373 IonicContact OD2-NE 3.3Å; D371-R373 PolarHBondContact OD2-NE 3.07Å; D371-R373 VanDerWaalsContact OD2-NE 3.13Å; D371-R373 IonicContact OD2-NH2 2.64Å; D371-R373 PolarHBondContact OD2-NH2 3.04Å; D371-P374 VanDerWaalsContact O-CD 3.28Å; D371-P374 WeakPolarHBondContact O-CD 3.29Å
372	L	96.2	Very high	95	Very high	10 Å²	10	26.9 Å²	26.9	5%	0.052	13%	0.13	C	C	.	.			trans	-83.9	-1.7	-178.4	-61.4	178.7	0	0	0	113.7	L286 K367 L396 V398	L286-L372 HydrophobicContact CD1-CB 4.34Å; L286-L372 HydrophobicContact CD1-CD1 4.34Å; K367-L372 HydrophobicContact CB-CD2 3.91Å; K367-L372 PolarHBondContact NZ-O 2.99Å; L372-L396 HydrophobicContact CD1-CD2 3.39Å; L372-L396 HydrophobicContact CD1-CG 3.9Å; L372-V398 HydrophobicContact CD1-CG2 3.96Å; L372-V398 HydrophobicContact CD2-CG2 4.41Å
373	R	97.6	Very high	94.6	Very high	70 Å²	70	32.6 Å²	32.6	26%	0.264	16%	0.156	S	C	.	.	S	Bend	trans	-67.8	-45.6	-178.8	-59.7	176.5	-67.1	168.6	-0.6	113.6	F246 L247 G269 P283 D371	F246-R373 HydrophobicContact CD1-CB 3.98Å; F246-R373 HydrophobicContact CD1-CG 4.42Å; F246-R373 HydrophobicContact CE1-CB 3.87Å; F246-R373 HydrophobicContact CE1-CG 3.82Å; L247-R373 HydrophobicContact CD1-CB 4.48Å; L247-R373 HydrophobicContact CD2-CB 3.73Å; L247-R373 HydrophobicContact CG-CB 4.35Å; G269-R373 WeakPolarHBondContact O-CD 3.4Å; P283-R373 HydrophobicContact CG-CB 4.46Å; P283-R373 HydrophobicContact CG-CG 4.08Å; D371-R373 VanDerWaalsContact C-N 3.28Å; D371-R373 PolarHBondContact O-N 3.22Å; D371-R373 VanDerWaalsContact OD1-CB 3.28Å; D371-R373 WeakPolarHBondContact OD1-CB 3.43Å; D371-R373 WeakPolarHBondContact OD1-CG 3.04Å; D371-R373 IonicContact OD1-CZ 2.77Å; D371-R373 PolarHBondContact OD1-N 3.33Å; D371-R373 VanDerWaalsContact OD1-N 3.11Å; D371-R373 IonicContact OD1-NE 3.78Å; D371-R373 PolarHBondContact OD1-NE 3.45Å; D371-R373 IonicContact OD1-NH2 2.64Å; D371-R373 IonicContact OD2-CZ 2.75Å; D371-R373 VanDerWaalsContact OD2-CZ 3.3Å; D371-R373 IonicContact OD2-NE 3.3Å; D371-R373 PolarHBondContact OD2-NE 3.07Å; D371-R373 VanDerWaalsContact OD2-NE 3.13Å; D371-R373 IonicContact OD2-NH2 2.64Å; D371-R373 PolarHBondContact OD2-NH2 3.04Å
374	P	97.7	Very high	94.2	Very high	22 Å²	22	36 Å²	36	14%	0.143	17%	0.174	C	C	.	.	S	Bend	trans	-63.4	158.4	175.4	-18.1	32.1	0	0	0	112.6	P204 L247 K367 D371	P204-P374 HydrophobicContact CB-CG 4.42Å; P204-P374 HydrophobicContact CG-CG 4.04Å; L247-P374 HydrophobicContact CD1-CB 3.97Å; L247-P374 HydrophobicContact CD1-CG 3.82Å; K367-P374 VanDerWaalsContact CE-O 3.24Å; K367-P374 WeakPolarHBondContact CE-O 3.42Å; K367-P374 PolarHBondContact NZ-O 3.01Å; D371-P374 VanDerWaalsContact O-CD 3.28Å; D371-P374 WeakPolarHBondContact O-CD 3.29Å
375	T	98.4	Very high	93.8	Very high	6 Å²	6	37 Å²	37	4%	0.037	18%	0.179	C	C	.	.			trans	-62.3	139.1	167.9	-56.4	0	0	0	0	109.5	D206 Y234 T237 E365	D206-T375 VanDerWaalsContact OD1-CB 3.3Å; D206-T375 WeakPolarHBondContact OD1-CB 3.39Å; D206-T375 PolarHBondContact OD1-N 2.93Å; D206-T375 PolarHBondContact OD1-OG1 3.37Å; Y234-T375 VanDerWaalsContact CE1-O 3.3Å; Y234-T375 WeakPolarHBondContact CE1-O 3.37Å; T237-T375 HydrophobicContact CG2-CG2 3.59Å; E365-T375 VanDerWaalsContact OE2-CG2 3.29Å; E365-T375 WeakPolarHBondContact OE2-CG2 3.46Å
376	G	97.6	Very high	93.3	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.01	19%	0.191	C	C	.	.			trans	-82.9	-172.6	-179.2	0	0	0	0	0	114.1	Y234 T237 E365 V366	Y234-G376 WeakPolarHBondContact CE1-O 3.41Å; T237-G376 WeakPolarHBondContact CG2-O 3.45Å; T237-G376 PolarHBondContact OG1-O 2.85Å; E365-G376 PolarHBondContact OE1-N 2.9Å; V366-G376 WeakPolarHBondContact O-CA 3.24Å
377	M	96.5	Very high	92.6	Very high	18 Å²	18	47.5 Å²	47.5	9%	0.089	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	122.6	177.2	-69.1	177	-84.5	0	0	110	G233 Y234 E365 V366 S368 Y379 V390	G233-M377 WeakPolarHBondContact O-CA 3.49Å; G233-M377 WeakPolarHBondContact O-CB 3.42Å; Y234-M377 HydrophobicContact CD1-CG 4Å; Y234-M377 HydrophobicContact CD2-CG 3.61Å; Y234-M377 HydrophobicContact CD2-SD 4.31Å; Y234-M377 HydrophobicContact CE1-CG 3.86Å; Y234-M377 HydrophobicContact CE2-CG 3.47Å; Y234-M377 VanDerWaalsContact CE2-CG 3.47Å; Y234-M377 HydrophobicContact CE2-SD 4.08Å; Y234-M377 HydrophobicContact CG-CG 3.9Å; E365-M377 CarbonylContact C-O 3.47Å; E365-M377 VanDerWaalsContact CA-O 3.27Å; E365-M377 WeakPolarHBondContact CA-O 3.2Å; V366-M377 PolarHBondContact N-O 3.05Å; V366-M377 PolarHBondContact O-N 2.81Å; S368-M377 WeakPolarHBondContact OG-CE 3.1Å; M377-Y379 HydrophobicContact CB-CE2 3.97Å; M377-V390 HydrophobicContact CE-CG1 3.92Å
378	R	96.1	Very high	92	Very high	14 Å²	14	48.9 Å²	48.9	5%	0.053	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	128.5	179.9	-66.5	-177.4	179.2	-175.5	-5.1	112	G233 T237 C360 Y363 E365	G233-R378 PolarHBondContact O-N 2.87Å; T237-R378 HydrophobicContact CG2-CG 4.26Å; T237-R378 PolarHBondContact OG1-N 2.64Å; T237-R378 VanDerWaalsContact OG1-N 3.11Å; C360-R378 HydrophobicContact CB-CB 4.25Å; Y363-R378 HydrophobicContact CD2-CB 4.46Å; Y363-R378 HydrophobicContact CD2-CG 3.84Å; Y363-R378 HydrophobicContact CE2-CG 4.28Å; Y363-R378 HydrophobicContact CG-CB 4.26Å; Y363-R378 HydrophobicContact CG-CG 4.01Å; Y363-R378 PolarHBondContact OH-NH2 3.29Å; E365-R378 HydrophobicContact CB-CG 4.06Å; E365-R378 HydrophobicContact CG-CG 3.97Å; E365-R378 IonicContact OE2-CZ 3.39Å; E365-R378 IonicContact OE2-NE 2.92Å; E365-R378 PolarHBondContact OE2-NE 3.16Å; E365-R378 IonicContact OE2-NH2 2.93Å; E365-R378 PolarHBondContact OE2-NH2 3.46Å
379	Y	93.7	Very high	91.6	Very high	11 Å²	11	51.1 Å²	51.1	4%	0.043	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	127.5	176.7	-55.5	-81.9	0	0	0	110.1	F348 F352 Y363 V364 V366 M377 L385	F348-Y379 HydrophobicContact CE2-CD2 4.2Å; F348-Y379 HydrophobicContact CE2-CE2 4.27Å; F348-Y379 AromaticContact CZ-CD2 3.77Å; F348-Y379 HydrophobicContact CZ-CD2 3.77Å; F348-Y379 HydrophobicContact CZ-CE2 4.22Å; F348-Y379 HydrophobicContact CZ-CG 4.18Å; F352-Y379 WeakPolarHBondContact CZ-O 3.24Å; Y363-Y379 WeakPolarHBondContact CA-O 3.46Å; V364-Y379 PolarHBondContact N-O 3.08Å; V364-Y379 WeakPolarHBondContact O-CD2 3.21Å; V364-Y379 PolarHBondContact O-N 3.38Å; V366-Y379 HydrophobicContact CB-CE2 4.14Å; V366-Y379 HydrophobicContact CG2-CD2 4.14Å; V366-Y379 HydrophobicContact CG2-CE2 3.81Å; M377-Y379 HydrophobicContact CB-CE2 3.97Å; Y379-L385 HydrophobicContact CD1-CD2 4.16Å; Y379-L385 HydrophobicContact CG-CD2 4.24Å
380	C	92.6	Very high	91.4	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.26	C	S	.	.			trans	-141.8	-9.8	173.5	58.1	0	0	0	0	113.2	M354 C360 D362	M354-C380 CarbonylContact C-O 3.52Å; M354-C380 HydrophobicContact CB-CB 4.32Å; M354-C380 WeakPolarHBondContact CB-O 2.97Å; C360-C380 VanDerWaalsContact CA-SG 3.54Å; C360-C380 HydrophobicContact CB-CB 3.63Å; C360-C380 WeakPolarHBondContact CB-SG 3.23Å; C360-C380 WeakPolarHBondContact SG-CB 3.35Å; C360-C380 PolarHBondContact SG-N 2.03Å; C360-C380 VanDerWaalsContact SG-N 3.42Å; C360-C380 CovalentContact SG-SG 2.04Å; C360-C380 PolarHBondContact SG-SG 3.23Å; D362-C380 WeakPolarHBondContact O-CB 3.1Å
381	C	90.3	Very high	91.3	Very high	2 Å²	2	47.9 Å²	47.9	1%	0.014	25%	0.253	C	S	.	.			trans	-113.7	124.5	178.3	-53.7	0	0	0	0	109.3	R236 C356 E383 D384	R236-C381 PolarHBondContact NE-SG 3.4Å; R236-C381 PolarHBondContact NH1-SG 3.12Å; R236-C381 VanDerWaalsContact NH1-SG 3.44Å; R236-C381 PolarHBondContact NH2-SG 2.73Å; R236-C381 VanDerWaalsContact NH2-SG 3.4Å; C356-C381 WeakPolarHBondContact CA-SG 3.46Å; C356-C381 HydrophobicContact CB-CB 3.86Å; C356-C381 WeakPolarHBondContact CB-SG 3.38Å; C356-C381 WeakPolarHBondContact SG-CB 3.27Å; C356-C381 CovalentContact SG-SG 2.02Å; C356-C381 PolarHBondContact SG-SG 3.02Å; C381-E383 HydrophobicContact CB-CG 4.1Å; C381-E383 PolarHBondContact O-N 3.39Å; C381-D384 HydrophobicContact CB-CB 4.42Å; C381-D384 WeakPolarHBondContact CB-OD2 3.3Å; C381-D384 PolarHBondContact O-N 3.17Å
382	S	86.3	Confident	91.2	Very high	80 Å²	80	45.7 Å²	45.7	56%	0.559	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-59.7	-29.3	-179.4	51.7	0	0	0	0	113	D384	S382-D384 VanDerWaalsContact C-N 3.31Å; S382-D384 PolarHBondContact O-N 3.34Å
383	E	85.3	Confident	91	Very high	152 Å²	152	49.3 Å²	49.3	71%	0.71	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-71.7	-19.3	177	61	-174.6	-161.4	0	0	114.5	R236 C381	R236-E383 IonicContact NH2-OE1 2.73Å; C381-E383 HydrophobicContact CB-CG 4.1Å; C381-E383 PolarHBondContact O-N 3.39Å
384	D	85.5	Confident	90.6	Very high	77 Å²	77	49.3 Å²	49.3	41%	0.412	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-101.1	3.8	179.6	-64.7	-55.9	0	0	0	113.5	R236 C381 S382	R236-D384 IonicContact CZ-OD2 3.37Å; R236-D384 IonicContact NE-OD2 3.77Å; R236-D384 PolarHBondContact NE-OD2 3.1Å; R236-D384 IonicContact NH2-OD2 3.35Å; R236-D384 PolarHBondContact NH2-OD2 3.24Å; C381-D384 HydrophobicContact CB-CB 4.42Å; C381-D384 WeakPolarHBondContact CB-OD2 3.3Å; C381-D384 PolarHBondContact O-N 3.17Å; S382-D384 VanDerWaalsContact C-N 3.31Å; S382-D384 PolarHBondContact O-N 3.34Å
385	L	87.3	Confident	90.3	Very high	35 Å²	35	50.8 Å²	50.8	18%	0.183	27%	0.268	C	S	.	.	S	Bend	trans	-59.6	144.3	172.8	-69.5	-179.2	0	0	0	110.3	F348 F352 Y379 N387	F348-L385 HydrophobicContact CB-CD1 4.12Å; F348-L385 HydrophobicContact CB-CD2 4.49Å; F348-L385 HydrophobicContact CD1-CD2 4Å; F348-L385 HydrophobicContact CD2-CD2 3.95Å; F348-L385 HydrophobicContact CE1-CD2 4.14Å; F348-L385 HydrophobicContact CE2-CD2 4.11Å; F348-L385 HydrophobicContact CG-CD1 4.39Å; F348-L385 HydrophobicContact CG-CD2 3.89Å; F348-L385 HydrophobicContact CZ-CD2 4.2Å; F352-L385 HydrophobicContact CB-CD1 3.54Å; F352-L385 HydrophobicContact CD1-CD1 4.3Å; F352-L385 HydrophobicContact CD1-CD2 4.37Å; F352-L385 HydrophobicContact CD2-CD1 4.4Å; F352-L385 HydrophobicContact CD2-CD2 4.21Å; F352-L385 HydrophobicContact CE2-CD2 4.42Å; F352-L385 HydrophobicContact CG-CD1 3.84Å; F352-L385 HydrophobicContact CG-CD2 4.19Å; F352-L385 HydrophobicContact CG-CG 4.41Å; Y379-L385 HydrophobicContact CD1-CD2 4.16Å; Y379-L385 HydrophobicContact CG-CD2 4.24Å; L385-N387 PolarHBondContact O-N 2.74Å
386	P	85.9	Confident	90.1	Very high	40 Å²	40	52 Å²	52	26%	0.26	27%	0.274	S	S	.	.			trans	-60.4	136.1	176.8	24.9	-32	0	0	0	110.1	F348 G388 V390	F348-P386 HydrophobicContact CD2-CG 4.1Å; F348-P386 HydrophobicContact CE2-CG 4.22Å; P386-G388 PolarHBondContact O-N 3.4Å; P386-V390 HydrophobicContact CB-CG2 4.23Å; P386-V390 HydrophobicContact CG-CG2 3.67Å
387	N	82.1	Confident	89.9	Confident	181 Å²	181	51.9 Å²	51.9	97%	0.968	27%	0.273	S	S	*	.	S	Bend	trans	-71.7	79.4	168.8	-73.2	-28.9	0	0	0	109	L385	L385-N387 PolarHBondContact O-N 2.74Å
388	G	83.8	Confident	89.9	Confident	33 Å²	33	51 Å²	51	34%	0.34	27%	0.269	S	S	.	.	S	Bend	trans	118.8	-134.6	-176.8	0	0	0	0	0	112.1	P386	P386-G388 PolarHBondContact O-N 3.4Å
389	V	87.3	Confident	90	Very high	49 Å²	49	50.5 Å²	50.5	30%	0.297	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	151.5	-169.3	-52.4	0	0	0	0	112.7	F345 I346 E347 W391	F345-V389 HydrophobicContact CB-CB 4.05Å; F345-V389 HydrophobicContact CB-CG2 4.07Å; F345-V389 HydrophobicContact CD2-CB 3.8Å; F345-V389 HydrophobicContact CD2-CG1 3.54Å; F345-V389 HydrophobicContact CD2-CG2 4.29Å; F345-V389 HydrophobicContact CE2-CG1 3.97Å; F345-V389 HydrophobicContact CG-CB 4.24Å; F345-V389 HydrophobicContact CG-CG1 4.37Å; F345-V389 HydrophobicContact CG-CG2 4.33Å; I346-V389 CarbonylContact O-C 3.48Å; I346-V389 VanDerWaalsContact O-CA 3.27Å; I346-V389 WeakPolarHBondContact O-CA 3Å; E347-V389 HydrophobicContact CB-CG1 4.04Å; E347-V389 HydrophobicContact CG-CG1 4.16Å; V389-W391 HydrophobicContact CG2-CD2 4.4Å; V389-W391 HydrophobicContact CG2-CG 4.4Å; V389-W391 HydrophobicContact CG2-CZ2 4.17Å
390	V	90	Very high	90.2	Very high	13 Å²	13	50.2 Å²	50.2	8%	0.079	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	118.2	165	-174.4	0	0	0	0	108.3	F345 I346 V366 M377 P386	F345-V390 VanDerWaalsContact CA-O 3.26Å; F345-V390 WeakPolarHBondContact CA-O 3.39Å; I346-V390 HydrophobicContact CG2-CB 3.76Å; I346-V390 HydrophobicContact CG2-CG2 4.36Å; I346-V390 PolarHBondContact N-O 3.25Å; I346-V390 PolarHBondContact O-N 3.27Å; V366-V390 HydrophobicContact CG1-CG1 4.21Å; M377-V390 HydrophobicContact CE-CG1 3.92Å; P386-V390 HydrophobicContact CB-CG2 4.23Å; P386-V390 HydrophobicContact CG-CG2 3.67Å
391	W	91.6	Very high	90.3	Very high	142 Å²	142	50.4 Å²	50.4	54%	0.538	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	136.5	176.5	-71.4	94	0	0	0	111.2	R343 F345 V389	R343-W391 HydrophobicContact CB-CE3 4.15Å; R343-W391 HydrophobicContact CB-CZ3 4.19Å; F345-W391 HydrophobicContact CB-CD2 3.95Å; F345-W391 HydrophobicContact CB-CE3 3.8Å; F345-W391 HydrophobicContact CB-CH2 4.33Å; F345-W391 HydrophobicContact CB-CZ2 4.47Å; F345-W391 HydrophobicContact CB-CZ3 4.01Å; F345-W391 HydrophobicContact CD1-CE3 4.3Å; F345-W391 AromaticContact CD1-CH2 3.55Å; F345-W391 HydrophobicContact CD1-CH2 3.55Å; F345-W391 HydrophobicContact CD1-CZ2 4.2Å; F345-W391 AromaticContact CD1-CZ3 3.62Å; F345-W391 HydrophobicContact CD1-CZ3 3.62Å; F345-W391 HydrophobicContact CE1-CH2 4.17Å; F345-W391 HydrophobicContact CG-CH2 4.21Å; F345-W391 HydrophobicContact CG-CZ2 4.48Å; F345-W391 HydrophobicContact CG-CZ3 4.23Å; V389-W391 HydrophobicContact CG2-CD2 4.4Å; V389-W391 HydrophobicContact CG2-CG 4.4Å; V389-W391 HydrophobicContact CG2-CZ2 4.17Å
392	A	92.5	Very high	90.5	Very high	3 Å²	3	51.6 Å²	51.6	3%	0.025	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-75.7	143.9	163.3	0	0	0	0	0	110.7	L344 S368 E394 L397	L344-A392 HydrophobicContact CB-CB 3.97Å; L344-A392 PolarHBondContact O-N 2.81Å; S368-A392 CarbonylContact O-C 3.52Å; S368-A392 VanDerWaalsContact O-CA 3.32Å; S368-A392 WeakPolarHBondContact O-CA 3.18Å; A392-E394 VanDerWaalsContact C-N 3.25Å; A392-E394 VanDerWaalsContact CB-O 3.24Å; A392-E394 WeakPolarHBondContact CB-O 3.4Å; A392-L397 HydrophobicContact CB-CD1 4.14Å
393	E	92.4	Very high	90.8	Very high	86 Å²	86	47.8 Å²	47.8	40%	0.402	25%	0.246	S	C	.	.	S	Bend	trans	-72.2	-22.7	174.2	-66.8	-169.7	153.3	0	0	112.5	S368 R370	S368-E393 PolarHBondContact O-N 3.44Å; R370-E393 HydrophobicContact CB-CB 4.39Å; R370-E393 WeakPolarHBondContact CB-OE2 3.45Å; R370-E393 PolarHBondContact N-OE2 3.41Å
394	E	90.3	Very high	90.8	Very high	71 Å²	71	41.7 Å²	41.7	33%	0.332	22%	0.22	S	C	.	.	S	Bend	trans	-134.5	-169.8	-179.4	-61.9	-66.7	167.6	0	0	110.4	R370 A392 L396	R370-E394 HydrophobicContact CB-CG 4.12Å; R370-E394 HydrophobicContact CG-CG 4.05Å; R370-E394 IonicContact CZ-OE1 3.77Å; R370-E394 IonicContact NE-OE1 2.77Å; R370-E394 PolarHBondContact NE-OE1 3.08Å; R370-E394 IonicContact NH2-OE1 3.91Å; R370-E394 PolarHBondContact NH2-OE1 3.41Å; A392-E394 VanDerWaalsContact C-N 3.25Å; A392-E394 VanDerWaalsContact CB-O 3.24Å; A392-E394 WeakPolarHBondContact CB-O 3.4Å; E394-L396 PolarHBondContact O-N 3.5Å
395	N	91.4	Very high	90.2	Very high	52 Å²	52	42.1 Å²	42.1	28%	0.278	23%	0.229	S	C	.	.	S	Bend	trans	-86.5	24.9	178.8	71.9	-39.9	0	0	0	113.8	G338	G338-N395 PolarHBondContact N-O 3.27Å; G338-N395 PolarHBondContact O-ND2 2.85Å
396	L	93	Very high	88.8	Confident	31 Å²	31	45.9 Å²	45.9	16%	0.162	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	129.5	-179	-170.7	64.3	0	0	0	109.8	N268 V335 I336 K337 L372 E394	N268-L396 WeakPolarHBondContact OD1-CD2 3.5Å; V335-L396 HydrophobicContact CG1-CD1 3.71Å; I336-L396 WeakPolarHBondContact O-CA 3.3Å; I336-L396 WeakPolarHBondContact O-CD1 3.43Å; K337-L396 HydrophobicContact CG-CD1 3.76Å; L372-L396 HydrophobicContact CD1-CD2 3.39Å; L372-L396 HydrophobicContact CD1-CG 3.9Å; E394-L396 PolarHBondContact O-N 3.5Å
397	L	94.1	Very high	86.5	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	136.8	177	-173.9	82.1	0	0	0	108.4	I336 L344 I346 V366 A392 V399	I336-L397 HydrophobicContact CB-CB 4.27Å; I336-L397 HydrophobicContact CD1-CB 4.47Å; I336-L397 HydrophobicContact CD1-CD2 3.97Å; I336-L397 HydrophobicContact CD1-CG 4.47Å; I336-L397 PolarHBondContact N-O 2.88Å; I336-L397 PolarHBondContact O-N 2.99Å; L344-L397 HydrophobicContact CD1-CB 3.9Å; I346-L397 HydrophobicContact CB-CD2 3.91Å; I346-L397 HydrophobicContact CD1-CD2 4.38Å; I346-L397 HydrophobicContact CG2-CD2 3.98Å; V366-L397 HydrophobicContact CG1-CD1 3.82Å; A392-L397 HydrophobicContact CB-CD1 4.14Å; L397-V399 HydrophobicContact CD2-CG2 3.94Å; L397-V399 HydrophobicContact CG-CG2 4.34Å
398	V	97.1	Very high	84	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	127.2	170	-175.5	0	0	0	0	109.1	L286 S333 W334 V335 K367 L372 I400	L286-V398 HydrophobicContact CD2-CG2 3.98Å; L286-V398 HydrophobicContact CG-CG2 4.39Å; S333-V398 WeakPolarHBondContact OG-CG1 3.39Å; W334-V398 WeakPolarHBondContact O-CA 3.46Å; V335-V398 HydrophobicContact CG2-CG2 4.3Å; K367-V398 HydrophobicContact CB-CB 4.11Å; K367-V398 HydrophobicContact CD-CB 4.42Å; K367-V398 PolarHBondContact N-O 3.13Å; K367-V398 PolarHBondContact O-N 2.83Å; K367-V398 VanDerWaalsContact O-N 3.12Å; L372-V398 HydrophobicContact CD1-CG2 3.96Å; L372-V398 HydrophobicContact CD2-CG2 4.41Å; V398-I400 HydrophobicContact CG1-CG1 4.1Å
399	V	97	Very high	81.3	Confident	3 Å²	3	47.8 Å²	47.8	2%	0.018	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	133.4	173.8	-176.7	0	0	0	0	108.1	I317 S333 W334 I336 I346 V364 E365 L397	I317-V399 HydrophobicContact CD1-CB 4.01Å; I317-V399 HydrophobicContact CD1-CG1 3.77Å; I317-V399 HydrophobicContact CD1-CG2 4.16Å; S333-V399 CarbonylContact C-O 3.55Å; S333-V399 WeakPolarHBondContact CA-O 3.46Å; S333-V399 PolarHBondContact OG-O 3.05Å; W334-V399 HydrophobicContact CE3-CB 4.34Å; W334-V399 HydrophobicContact CE3-CG1 4.3Å; W334-V399 PolarHBondContact N-O 2.7Å; W334-V399 PolarHBondContact O-N 2.9Å; I336-V399 HydrophobicContact CD1-CB 4.44Å; I336-V399 HydrophobicContact CD1-CG2 3.71Å; I346-V399 HydrophobicContact CD1-CG2 3.64Å; V364-V399 HydrophobicContact CG1-CG1 3.8Å; E365-V399 CarbonylContact O-C 3.54Å; E365-V399 WeakPolarHBondContact O-CA 3.41Å; L397-V399 HydrophobicContact CD2-CG2 3.94Å; L397-V399 HydrophobicContact CG-CG2 4.34Å
400	I	97.3	Very high	78.3	Confident	4 Å²	4	48.9 Å²	48.9	2%	0.021	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	126.9	179.9	-47.3	170.3	0	0	0	107.7	T284 C332 V364 E365 V398	T284-I400 HydrophobicContact CG2-CD1 4.1Å; C332-I400 CarbonylContact O-C 3.53Å; C332-I400 WeakPolarHBondContact O-CA 3.34Å; V364-I400 CarbonylContact C-O 3.56Å; V364-I400 VanDerWaalsContact CA-O 3.3Å; V364-I400 WeakPolarHBondContact CA-O 3.24Å; E365-I400 HydrophobicContact CB-CB 4.08Å; E365-I400 HydrophobicContact CB-CD1 4.46Å; E365-I400 PolarHBondContact N-O 2.9Å; E365-I400 PolarHBondContact O-N 3.37Å; V398-I400 HydrophobicContact CG1-CG1 4.1Å
401	F	96	Very high	75.3	Confident	4 Å²	4	53.8 Å²	53.8	2%	0.018	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	132.5	164.5	177.8	-83.7	0	0	0	108.2	P320 F326 Q330 S331 C332 W334 M354 V364 A403 V419	P320-F401 VanDerWaalsContact CD-CD1 3.48Å; P320-F401 HydrophobicContact CG-CD1 3.58Å; P320-F401 HydrophobicContact CG-CE1 3.56Å; P320-F401 HydrophobicContact CG-CG 4.28Å; P320-F401 HydrophobicContact CG-CZ 4.23Å; F326-F401 HydrophobicContact CB-CE1 4.32Å; F326-F401 HydrophobicContact CB-CZ 3.78Å; F326-F401 HydrophobicContact CD1-CE2 4.38Å; F326-F401 AromaticContact CD1-CZ 3.88Å; F326-F401 HydrophobicContact CD1-CZ 3.88Å; F326-F401 HydrophobicContact CD2-CE1 4.34Å; F326-F401 AromaticContact CD2-CZ 3.79Å; F326-F401 HydrophobicContact CD2-CZ 3.79Å; F326-F401 HydrophobicContact CE1-CZ 4.4Å; F326-F401 HydrophobicContact CE2-CZ 4.31Å; F326-F401 HydrophobicContact CG-CE1 4.35Å; F326-F401 HydrophobicContact CG-CE2 4.45Å; F326-F401 AromaticContact CG-CZ 3.55Å; F326-F401 HydrophobicContact CG-CZ 3.55Å; Q330-F401 HydrophobicContact CB-CE1 4.38Å; S331-F401 VanDerWaalsContact CA-O 3.26Å; S331-F401 WeakPolarHBondContact CA-O 3.05Å; S331-F401 PolarHBondContact OG-O 3.41Å; S331-F401 VanDerWaalsContact OG-O 3.08Å; C332-F401 HydrophobicContact CB-CB 4.46Å; C332-F401 PolarHBondContact N-O 3.41Å; C332-F401 PolarHBondContact O-N 2.93Å; W334-F401 HydrophobicContact CH2-CB 4.12Å; W334-F401 HydrophobicContact CZ3-CB 3.79Å; M354-F401 HydrophobicContact CE-CD2 4.24Å; M354-F401 HydrophobicContact CE-CE2 3.59Å; M354-F401 HydrophobicContact CE-CZ 4.01Å; V364-F401 HydrophobicContact CG2-CD2 4.27Å; F401-A403 HydrophobicContact CE1-CB 3.88Å; F401-A403 HydrophobicContact CZ-CB 4.29Å; F401-V419 HydrophobicContact CE2-CB 4.38Å; F401-V419 HydrophobicContact CE2-CG2 4.27Å
402	H	94.8	Very high	72.2	Confident	28 Å²	28	53.5 Å²	53.5	13%	0.13	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	126.7	175.8	-176.9	91.9	0	0	0	110.2	E242 E361 D362 Y363	E242-H402 IonicContact OE1-CE1 3.49Å; E242-H402 PolarHBondContact OE1-CE1 3.1Å; E242-H402 IonicContact OE1-ND1 3.64Å; E242-H402 IonicContact OE1-NE2 3.95Å; E242-H402 IonicContact OE2-CE1 2.95Å; E242-H402 IonicContact OE2-NE2 3.72Å; E361-H402 PolarHBondContact O-CD2 2.55Å; E361-H402 VanDerWaalsContact O-CD2 3.31Å; D362-H402 CarbonylContact C-O 3.18Å; D362-H402 WeakPolarHBondContact CA-O 3.02Å; Y363-H402 HydrophobicContact CD1-CB 4.31Å; Y363-H402 HydrophobicContact CD2-CB 3.95Å; Y363-H402 HydrophobicContact CE1-CB 3.89Å; Y363-H402 AromaticContact CE1-CD2 3.57Å; Y363-H402 AromaticContact CE1-CG 3.83Å; Y363-H402 HydrophobicContact CE2-CB 3.51Å; Y363-H402 HydrophobicContact CG-CB 4.33Å; Y363-H402 VanDerWaalsContact CZ-CB 3.46Å; Y363-H402 AromaticContact CZ-CD2 3.82Å; Y363-H402 AromaticContact CZ-CG 3.59Å; Y363-H402 PolarHBondContact N-O 3.01Å; Y363-H402 PolarHBondContact O-N 3.1Å
403	A	92.4	Very high	69.4	Low	0 Å²	0	59.9 Å²	59.9	0%	0	34%	0.341	C	S	.	.			trans	-115.3	119.4	167.9	0	0	0	0	0	109.1	F326 K327 G329 Q330 D362 F401	F326-A403 HydrophobicContact CD2-CB 3.5Å; F326-A403 HydrophobicContact CE2-CB 3.54Å; K327-A403 WeakPolarHBondContact O-CB 3.12Å; G329-A403 VanDerWaalsContact CA-O 3.25Å; G329-A403 WeakPolarHBondContact CA-O 3.27Å; G329-A403 PolarHBondContact N-O 2.82Å; Q330-A403 PolarHBondContact O-N 2.96Å; D362-A403 WeakPolarHBondContact OD1-CA 3.38Å; F401-A403 HydrophobicContact CE1-CB 3.88Å; F401-A403 HydrophobicContact CZ-CB 4.29Å
404	S	85.2	Confident	67	Low	24 Å²	24	61.7 Å²	61.7	17%	0.168	35%	0.353	C	S	.	.			trans	-58.3	146.4	-177.7	178	0	0	0	0	111.5	K328 G329 D362 D406	K328-S404 WeakPolarHBondContact CB-O 3.21Å; G329-S404 PolarHBondContact N-O 2.84Å; D362-S404 PolarHBondContact OD1-N 3.28Å; S404-D406 PolarHBondContact OG-N 3.01Å; S404-D406 VanDerWaalsContact OG-N 3.16Å; S404-D406 PolarHBondContact OG-O 2.74Å
405	S	72.1	Confident	64.9	Low	85 Å²	85	64 Å²	64	59%	0.594	36%	0.364	S	S	*	.	S	Bend	trans	-88	-15.5	172	50.5	0	0	0	0	113.5
406	D	57.5	Low	62.8	Low	115 Å²	115	62.2 Å²	62.2	62%	0.615	36%	0.358	S	S	*	.			trans	-114.1	133.2	-167.8	-91.3	-34.3	0	0	0	114.4	S404 G408	S404-D406 PolarHBondContact OG-N 3.01Å; S404-D406 VanDerWaalsContact OG-N 3.16Å; S404-D406 PolarHBondContact OG-O 2.74Å; D406-G408 PolarHBondContact O-N 3.37Å
407	N	37.7	Very low	61	Low	103 Å²	103	63.8 Å²	63.8	55%	0.551	37%	0.37	S	S	*	.			trans	-90.2	53.8	-179.6	-71.4	-37.6	0	0	0	112.9	K328 L409	K328-N407 PolarHBondContact NZ-OD1 3.37Å; N407-L409 VanDerWaalsContact C-N 3.35Å; N407-L409 PolarHBondContact O-N 2.98Å
408	G	30.6	Very low	58.9	Low	21 Å²	21	66 Å²	66	22%	0.216	38%	0.384	C	S	.	.	S	Bend	trans	-76.6	81.7	171.4	0	0	0	0	0	111.2	D406	D406-G408 PolarHBondContact O-N 3.37Å
409	L	26.1	Very low	57.1	Low	169 Å²	169	66.2 Å²	66.2	89%	0.885	39%	0.386	S	S	*	.	S	Bend	trans	74.2	74	-179.5	-61.5	144.8	0	0	0	116.5	N407	N407-L409 VanDerWaalsContact C-N 3.35Å; N407-L409 PolarHBondContact O-N 2.98Å
410	A	25.3	Very low	55.2	Low	72 Å²	72	66.6 Å²	66.6	60%	0.595	39%	0.39	S	S	*	.			trans	159.7	129.7	131.8	0	0	0	0	0	112.4
411	T	26.5	Very low	53.2	Low	116 Å²	116	69.2 Å²	69.2	71%	0.712	40%	0.402	S	S	*	.			trans	61.8	113.4	154.5	46.9	0	0	0	0	120	H413	T411-H413 VanDerWaalsContact C-N 3.28Å; T411-H413 PolarHBondContact O-N 3.42Å
412	V	26.9	Very low	51.2	Low	136 Å²	136	69.3 Å²	69.3	82%	0.824	40%	0.404	S	S	*	.	S	Bend	trans	-39.2	75.3	155.3	-171.7	0	0	0	0	113.1
413	H	33.3	Very low	49.2	Very low	138 Å²	138	70.6 Å²	70.6	64%	0.639	41%	0.409	S	S	*	.			trans	-147.9	121.7	155.4	-72.5	-62.1	0	0	0	108.4	K328 T411 E415	K328-H413 WeakPolarHBondContact CE-O 3.17Å; K328-H413 PolarHBondContact NZ-O 3.03Å; T411-H413 VanDerWaalsContact C-N 3.28Å; T411-H413 PolarHBondContact O-N 3.42Å; H413-E415 PolarHBondContact O-N 3.48Å
414	D	43.3	Very low	47.5	Very low	123 Å²	123	70.6 Å²	70.6	66%	0.658	41%	0.409	S	S	*	.	S	Bend	trans	-71	-4	171.1	-86.4	-21.4	0	0	0	112.7
415	E	44.4	Very low	46	Very low	121 Å²	121	69.7 Å²	69.7	57%	0.565	40%	0.403	S	S	*	.	B	Isolated β-bridge	trans	-126.2	123.5	-173.5	-62.5	-172.6	173.1	0	0	109.1	P325 F326 H413	P325-E415 HydrophobicContact CB-CB 3.85Å; F326-E415 WeakPolarHBondContact O-CA 3.5Å; H413-E415 PolarHBondContact O-N 3.48Å
416	G	47.3	Very low	44.8	Very low	14 Å²	14	67.3 Å²	67.3	14%	0.144	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-88.8	157.3	174.1	0	0	0	0	0	111.8	P325 F326	P325-G416 WeakPolarHBondContact CA-O 3.28Å; P325-G416 WeakPolarHBondContact CB-O 3.17Å; F326-G416 PolarHBondContact N-O 3.31Å; F326-G416 PolarHBondContact O-N 3Å
417	P	56.3	Low	44.1	Very low	63 Å²	63	64.9 Å²	64.9	41%	0.409	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-60.2	151.7	179.8	18.8	-24.4	0	0	0	112.3	F326 S353 V419	F326-P417 WeakPolarHBondContact CD1-O 3.24Å; F326-P417 WeakPolarHBondContact CE1-O 3.37Å; S353-P417 WeakPolarHBondContact O-CG 3.19Å; P417-V419 PolarHBondContact O-N 3.06Å
418	P	50.5	Low	44.5	Very low	48 Å²	48	62.9 Å²	62.9	31%	0.312	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-60.6	128.6	178.6	23	-31.7	0	0	0	110.6	P323	P323-P418 WeakPolarHBondContact O-CB 3.3Å
419	V	58.6	Low	45.2	Very low	4 Å²	4	65.2 Å²	65.2	2%	0.024	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-98.7	122.4	176.8	179.7	0	0	0	0	108.2	S319 Y322 F326 F352 S353 M354 V364 F401 P417	S319-V419 WeakPolarHBondContact CB-O 3.43Å; S319-V419 PolarHBondContact OG-O 2.98Å; Y322-V419 VanDerWaalsContact CD2-O 3.28Å; Y322-V419 WeakPolarHBondContact CD2-O 3.46Å; F326-V419 HydrophobicContact CD1-CG2 3.78Å; F326-V419 HydrophobicContact CE1-CG2 3.55Å; F352-V419 HydrophobicContact CD2-CG1 3.85Å; F352-V419 HydrophobicContact CE2-CG1 3.82Å; S353-V419 VanDerWaalsContact O-CG2 3.28Å; S353-V419 WeakPolarHBondContact O-CG2 3.46Å; M354-V419 HydrophobicContact CE-CG2 4.05Å; M354-V419 HydrophobicContact CG-CG1 4.36Å; M354-V419 HydrophobicContact CG-CG2 3.35Å; M354-V419 HydrophobicContact SD-CG2 4.18Å; V364-V419 HydrophobicContact CG2-CG1 4.41Å; F401-V419 HydrophobicContact CE2-CB 4.38Å; F401-V419 HydrophobicContact CE2-CG2 4.27Å; P417-V419 PolarHBondContact O-N 3.06Å
420	G	57.6	Low	46.4	Very low	11 Å²	11	59.1 Å²	59.1	11%	0.113	34%	0.34	C	S	.	.			trans	-57.7	-178.9	-173.6	0	0	0	0	0	116.1	K351	K351-G420 VanDerWaalsContact O-CA 3.27Å; K351-G420 WeakPolarHBondContact O-CA 3.39Å; K351-G420 PolarHBondContact O-N 2.76Å
421	Q	54.6	Low	47.7	Very low	58 Å²	58	58.3 Å²	58.3	27%	0.271	32%	0.324	S	S	.	.			trans	-84.7	154.6	-179.5	-49.3	-167	-54.7	0	0	111.7	V316 I317 S318 Y322 V349 D350	V316-Q421 HydrophobicContact CG1-CB 3.75Å; V316-Q421 HydrophobicContact CG1-CG 4.21Å; I317-Q421 WeakPolarHBondContact O-CA 3.31Å; S318-Q421 WeakPolarHBondContact OG-CG 3.45Å; S318-Q421 PolarHBondContact OG-NE2 3.15Å; S318-Q421 VanDerWaalsContact OG-NE2 3.15Å; Y322-Q421 HydrophobicContact CD1-CG 4.38Å; Y322-Q421 HydrophobicContact CE1-CG 3.89Å; Y322-Q421 HydrophobicContact CE2-CG 4.43Å; V349-Q421 HydrophobicContact CG2-CB 4.27Å; V349-Q421 VanDerWaalsContact CG2-O 3.27Å; V349-Q421 WeakPolarHBondContact CG2-O 3.28Å; V349-Q421 PolarHBondContact N-O 2.88Å; D350-Q421 HydrophobicContact CB-CB 4.38Å
422	A	53.5	Low	49.1	Very low	7 Å²	7	54.5 Å²	54.5	6%	0.058	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	136.1	167.5	0	0	0	0	0	110.4	V316 I317 I346 E347	V316-A422 WeakPolarHBondContact CA-O 3.35Å; I317-A422 HydrophobicContact CD1-CB 4.47Å; I317-A422 HydrophobicContact CG1-CB 3.98Å; I317-A422 PolarHBondContact N-O 2.98Å; I317-A422 VanDerWaalsContact N-O 3.09Å; I317-A422 PolarHBondContact O-N 3.33Å; I346-A422 HydrophobicContact CD1-CB 3.88Å; I346-A422 HydrophobicContact CG1-CB 3.94Å; E347-A422 CarbonylContact O-C 3.56Å; E347-A422 WeakPolarHBondContact O-CA 3.38Å; E347-A422 WeakPolarHBondContact O-CB 3.45Å
423	F	53.5	Low	50.7	Low	55 Å²	55	48.6 Å²	48.6	24%	0.241	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	139.8	172.5	-66.3	-26.4	0	0	0	110.4	W314 N315 V316 I346 E347 V349	W314-F423 HydrophobicContact CB-CB 4.22Å; W314-F423 AromaticContact CD1-CD1 3.23Å; W314-F423 AromaticContact CD1-CE1 3.66Å; W314-F423 AromaticContact CD1-CG 3.54Å; W314-F423 HydrophobicContact CG-CB 4.12Å; W314-F423 HydrophobicContact CG-CD1 4.14Å; W314-F423 HydrophobicContact CG-CG 4.01Å; W314-F423 AromaticContact NE1-CD1 3.41Å; W314-F423 AromaticContact NE1-CE1 3.31Å; W314-F423 VanDerWaalsContact NE1-CE1 3.31Å; W314-F423 AromaticContact NE1-CE2 3.98Å; W314-F423 AromaticContact NE1-CG 3.78Å; W314-F423 AromaticContact NE1-CZ 3.63Å; N315-F423 WeakPolarHBondContact O-CA 3.47Å; V316-F423 HydrophobicContact CB-CD1 4.37Å; V316-F423 HydrophobicContact CB-CE1 4.47Å; V316-F423 HydrophobicContact CG1-CD1 4.18Å; V316-F423 HydrophobicContact CG1-CE1 4.11Å; V316-F423 HydrophobicContact CG2-CD1 3.71Å; V316-F423 HydrophobicContact CG2-CE1 3.63Å; I346-F423 WeakPolarHBondContact CA-O 3.33Å; E347-F423 PolarHBondContact N-O 2.88Å; E347-F423 PolarHBondContact O-N 2.87Å; V349-F423 HydrophobicContact CB-CD2 3.79Å; V349-F423 HydrophobicContact CB-CE2 3.76Å; V349-F423 HydrophobicContact CB-CG 4.32Å; V349-F423 HydrophobicContact CB-CZ 4.33Å; V349-F423 HydrophobicContact CG1-CB 4.13Å; V349-F423 HydrophobicContact CG1-CD2 3.18Å; V349-F423 HydrophobicContact CG1-CE2 3.64Å; V349-F423 HydrophobicContact CG1-CG 3.78Å; V349-F423 HydrophobicContact CG2-CD1 3.86Å; V349-F423 HydrophobicContact CG2-CD2 3.67Å; V349-F423 HydrophobicContact CG2-CE1 3.88Å; V349-F423 HydrophobicContact CG2-CE2 3.64Å; V349-F423 HydrophobicContact CG2-CG 3.76Å; V349-F423 HydrophobicContact CG2-CZ 3.76Å
424	I	55.9	Low	52	Low	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	134	-174.9	-61.4	158.2	0	0	0	109	W314 N315 I317 I336 I346	W314-I424 CarbonylContact C-O 3.52Å; W314-I424 WeakPolarHBondContact CA-O 3.46Å; W314-I424 VanDerWaalsContact CB-O 3.27Å; W314-I424 WeakPolarHBondContact CB-O 3.45Å; N315-I424 HydrophobicContact CB-CB 4.37Å; N315-I424 PolarHBondContact N-O 3.18Å; N315-I424 PolarHBondContact O-N 3.4Å; I317-I424 HydrophobicContact CB-CD1 4.35Å; I317-I424 HydrophobicContact CD1-CD1 3.82Å; I317-I424 HydrophobicContact CG1-CD1 3.75Å; I317-I424 HydrophobicContact CG2-CD1 3.78Å; I336-I424 HydrophobicContact CD1-CD1 3.7Å; I336-I424 HydrophobicContact CG1-CD1 4.1Å; I336-I424 HydrophobicContact CG1-CG2 4.47Å; I336-I424 HydrophobicContact CG2-CG2 3.56Å; I346-I424 HydrophobicContact CB-CG1 4.49Å; I346-I424 HydrophobicContact CD1-CG1 4.18Å; I346-I424 HydrophobicContact CG1-CG1 4.08Å
425	N	55.2	Low	52.7	Low	5 Å²	5	35 Å²	35	3%	0.027	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	155.2	-175.7	-150.8	-41.6	0	0	0	112	A309 F311 N313 L344 F345	A309-N425 PolarHBondContact O-OD1 3.43Å; F311-N425 WeakPolarHBondContact CA-OD1 3.27Å; F311-N425 WeakPolarHBondContact CB-OD1 3.44Å; F311-N425 WeakPolarHBondContact CD2-ND2 3.41Å; F311-N425 PolarHBondContact N-OD1 2.63Å; N313-N425 PolarHBondContact O-ND2 2.91Å; N313-N425 PolarHBondContact O-OD1 3.25Å; N313-N425 VanDerWaalsContact O-OD1 3.12Å; L344-N425 WeakPolarHBondContact CA-O 3.24Å; F345-N425 HydrophobicContact CD1-CB 4.25Å; F345-N425 HydrophobicContact CE1-CB 3.58Å; F345-N425 HydrophobicContact CE2-CB 3.92Å; F345-N425 HydrophobicContact CZ-CB 3.39Å; F345-N425 PolarHBondContact N-O 3.06Å; F345-N425 PolarHBondContact O-N 3.26Å
426	D	45.4	Very low	53.5	Low	34 Å²	34	27.2 Å²	27.2	18%	0.182	16%	0.162	C	C	.	.			trans	-101.2	0	177.3	-160.4	31.7	0	0	0	114.2	A308 A309 F311 G338 E339 T342 L344	A308-D426 HydrophobicContact CB-CB 3.8Å; A309-D426 WeakPolarHBondContact O-CB 3.48Å; A309-D426 PolarHBondContact O-N 3.06Å; F311-D426 PolarHBondContact N-O 2.85Å; G338-D426 VanDerWaalsContact CA-OD1 3.31Å; G338-D426 WeakPolarHBondContact CA-OD1 3.27Å; E339-D426 PolarHBondContact N-OD2 2.8Å; E339-D426 VanDerWaalsContact N-OD2 3.14Å; T342-D426 WeakPolarHBondContact CB-OD1 3.5Å; T342-D426 VanDerWaalsContact OG1-CG 3.31Å; T342-D426 PolarHBondContact OG1-OD1 2.89Å; T342-D426 PolarHBondContact OG1-OD2 3.44Å; L344-D426 HydrophobicContact CD2-CB 4.17Å; L344-D426 WeakPolarHBondContact CD2-OD1 3.48Å

Retrieved 426 of 426 residues in 344.7 ms (Link to these results)

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