A0A077Z4F8_TRITR Loading...

DSPc domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z4F8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 241 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	27.2	Very low	25.7	Very low	244 Å²	244	160.5 Å²	160.5	100%	1.202	85%	0.854	S	S	*	*				0	113.6	0	-107.9	167.8	175.5	0	0	107
2	L	26.5	Very low	25.6	Very low	158 Å²	158	161 Å²	161	83%	0.827	86%	0.857	S	S	*	*			trans	-47.2	152.5	-180	-80.3	70.6	0	0	0	112.5
3	W	23.3	Very low	25.8	Very low	253 Å²	253	167.3 Å²	167.3	96%	0.958	86%	0.861	S	S	*	*				-162.5	101.7	122.9	-98.4	90.2	0	0	0	108.9
4	F	21.7	Very low	26	Very low	200 Å²	200	163.1 Å²	163.1	88%	0.877	85%	0.854	S	S	*	*			trans	-102	129.4	153	-113.9	-92.8	0	0	0	104.8
5	L	27.6	Very low	26.3	Very low	161 Å²	161	160.7 Å²	160.7	84%	0.843	84%	0.842	S	S	*	*			trans	-174.2	143.8	131.2	-123.8	90.2	0	0	0	113.6
6	C	23	Very low	26.4	Very low	101 Å²	101	157.9 Å²	157.9	68%	0.682	84%	0.836	S	S	*	*			trans	-55	153.3	174.6	-173.6	0	0	0	0	116.1
7	C	25.9	Very low	26.5	Very low	131 Å²	131	157.1 Å²	157.1	89%	0.885	83%	0.832	S	S	*	*			trans	-152.9	115.7	147.3	-132.6	0	0	0	0	111.8
8	C	23	Very low	26.8	Very low	104 Å²	104	154.4 Å²	154.4	70%	0.703	82%	0.823	S	S	*	*			trans	-63.4	138.7	163.3	-58.2	0	0	0	0	111.3
9	F	25.1	Very low	26.7	Very low	202 Å²	202	152.2 Å²	152.2	89%	0.886	82%	0.818	S	S	*	*			trans	168.2	105.2	136.4	-122.9	-104.4	0	0	0	111.2
10	V	31.4	Very low	26.5	Very low	155 Å²	155	150.3 Å²	150.3	94%	0.939	82%	0.817	S	S	*	*			trans	-169	125.7	140	-169.6	0	0	0	0	104.1
11	G	27.9	Very low	26.5	Very low	57 Å²	57	150.3 Å²	150.3	59%	0.588	82%	0.816	S	S	*	*			cis	162.6	112.8	8.4	0	0	0	0	0	103.6	R13	G11-R13 PolarHBondContact O-N 3.1Å
12	N	24.6	Very low	26.4	Very low	166 Å²	166	145.4 Å²	145.4	89%	0.888	80%	0.799	S	S	*	*			trans	-69.4	112	-178.7	-160.4	2.1	0	0	0	108.8
13	R	28.6	Very low	26.4	Very low	243 Å²	243	143.3 Å²	143.3	92%	0.917	79%	0.793	S	S	*	*			trans	-117.3	102.1	164	-78.5	-168.3	-174.1	-165.4	2.9	108.1	G11 D15	G11-R13 PolarHBondContact O-N 3.1Å; R13-D15 PolarHBondContact O-N 3.24Å
14	S	28.4	Very low	26.6	Very low	108 Å²	108	138.1 Å²	138.1	76%	0.755	78%	0.784	S	S	*	*			trans	-64.4	121.1	164.4	46.2	0	0	0	0	109.6
15	D	31.1	Very low	27	Very low	128 Å²	128	131.6 Å²	131.6	68%	0.684	76%	0.763	S	S	*	*			trans	-80.6	119.6	176.7	-162	-13.8	0	0	0	110.1	R13 N17	R13-D15 PolarHBondContact O-N 3.24Å; D15-N17 VanDerWaalsContact C-N 3.3Å; D15-N17 PolarHBondContact O-N 2.79Å
16	P	27.4	Very low	27.4	Very low	115 Å²	115	127.7 Å²	127.7	75%	0.747	75%	0.746	S	S	*	*	S	Bend	trans	-83.1	17.3	-170.4	31.6	-33.7	0	0	0	115.8
17	N	28.2	Very low	28	Very low	144 Å²	144	131.8 Å²	131.8	77%	0.77	75%	0.752	S	S	*	*			trans	-126.1	51.9	-177.9	-87.8	-39.1	0	0	0	114.6	D15	D15-N17 VanDerWaalsContact C-N 3.3Å; D15-N17 PolarHBondContact O-N 2.79Å
18	V	31.1	Very low	28.4	Very low	109 Å²	109	134.3 Å²	134.3	66%	0.661	75%	0.748	S	S	*	*			trans	-111.5	105.7	168.8	-174.6	0	0	0	0	110	S20	V18-S20 PolarHBondContact O-N 2.95Å
19	P	24.8	Very low	29.9	Very low	112 Å²	112	133.7 Å²	133.7	73%	0.727	74%	0.738	S	S	*	*			trans	-65.6	123.5	172.3	-16.8	30	0	0	0	110.4	L21	P19-L21 PolarHBondContact O-N 3.39Å
20	S	24.2	Very low	31.2	Very low	114 Å²	114	131.4 Å²	131.4	80%	0.797	73%	0.728	S	S	*	*			trans	-71.6	90.1	173.9	55.8	0	0	0	0	110.7	V18 V22	V18-S20 PolarHBondContact O-N 2.95Å; S20-V22 PolarHBondContact O-N 3.46Å
21	L	25.8	Very low	32.3	Very low	151 Å²	151	127.8 Å²	127.8	79%	0.791	71%	0.709	S	S	*	*			trans	-92.2	77	166.6	-75.8	170.6	0	0	0	109.8	P19	P19-L21 PolarHBondContact O-N 3.39Å
22	V	25.3	Very low	34	Very low	141 Å²	141	131 Å²	131	86%	0.855	71%	0.705	S	S	*	*			trans	-94.1	92.9	159.6	-178.1	0	0	0	0	106.2	S20	S20-V22 PolarHBondContact O-N 3.46Å
23	T	26.6	Very low	36.1	Very low	114 Å²	114	124.4 Å²	124.4	70%	0.699	68%	0.675	S	S	*	*			trans	-97	142.2	166.8	53.7	0	0	0	0	109.2	S25	T23-S25 PolarHBondContact O-N 3.36Å
24	D	27.2	Very low	38.1	Very low	144 Å²	144	122.6 Å²	122.6	77%	0.77	67%	0.669	S	S	*	*			trans	-61.8	86.9	-169.9	-173.4	15.8	0	0	0	113.3	T26	D24-T26 PolarHBondContact OD1-OG1 2.74Å
25	S	29.1	Very low	40.3	Very low	63 Å²	63	121.7 Å²	121.7	44%	0.441	66%	0.658	S	S	.	*			trans	-98.5	-0.2	173.5	82.6	0	0	0	0	113.8	T23 K27 K28 D29	T23-S25 PolarHBondContact O-N 3.36Å; S25-K27 PolarHBondContact O-N 3.48Å; S25-K27 VanDerWaalsContact O-N 3.15Å; S25-K28 PolarHBondContact O-N 2.98Å; S25-D29 WeakPolarHBondContact CB-OD2 3.34Å; S25-D29 PolarHBondContact O-N 2.85Å; S25-D29 PolarHBondContact OG-OD2 2.99Å
26	T	36.6	Very low	42.4	Very low	80 Å²	80	117.6 Å²	117.6	49%	0.491	63%	0.633	S	S	.	*	H	α-helix	trans	-70	-22.9	-154.6	63.7	0	0	0	0	115.8	D24 K30	D24-T26 PolarHBondContact OD1-OG1 2.74Å; T26-K30 WeakPolarHBondContact O-CD 3.37Å; T26-K30 VanDerWaalsContact O-CG 3.31Å; T26-K30 WeakPolarHBondContact O-CG 3.34Å
27	K	35.2	Very low	44.8	Very low	186 Å²	186	116.1 Å²	116.1	81%	0.809	62%	0.616	S	S	*	*	H	α-helix	trans	-90.2	-39.2	179.9	-76.5	-177.2	179.6	174.4	0	113.7	S25	S25-K27 PolarHBondContact O-N 3.48Å; S25-K27 VanDerWaalsContact O-N 3.15Å
28	K	34.9	Very low	47.2	Very low	184 Å²	184	112 Å²	112	80%	0.8	60%	0.602	S	S	*	*	H	α-helix	trans	-71.9	-37.6	-178.5	-154.5	175.4	-175.6	179	0	111	S25 K30 Y32	S25-K28 PolarHBondContact O-N 2.98Å; K28-K30 PolarHBondContact O-N 3.44Å; K28-Y32 PolarHBondContact O-N 2.77Å
29	D	54.3	Low	49.5	Very low	92 Å²	92	109.6 Å²	109.6	49%	0.492	58%	0.583	S	S	.	*	H	α-helix	trans	-65.2	-35.9	177.1	-87.1	-32.5	0	0	0	113.2	S25 G33	S25-D29 WeakPolarHBondContact CB-OD2 3.34Å; S25-D29 PolarHBondContact O-N 2.85Å; S25-D29 PolarHBondContact OG-OD2 2.99Å; D29-G33 WeakPolarHBondContact O-CA 3.41Å; D29-G33 PolarHBondContact O-N 3.02Å
30	K	53.4	Low	52.1	Low	153 Å²	153	106.3 Å²	106.3	67%	0.665	56%	0.559	S	S	*	*	H	α-helix	trans	-68	-39.8	-179.7	-76.3	-179.8	-177.7	-176.7	0	112.8	T26 K28 R34	T26-K30 WeakPolarHBondContact O-CD 3.37Å; T26-K30 VanDerWaalsContact O-CG 3.31Å; T26-K30 WeakPolarHBondContact O-CG 3.34Å; K28-K30 PolarHBondContact O-N 3.44Å; K30-R34 PolarHBondContact O-N 3.48Å
31	S	54.6	Low	54.7	Low	79 Å²	79	110.5 Å²	110.5	55%	0.552	56%	0.558	S	S	*	*	H	α-helix	trans	-68.8	-48.1	177.5	178.5	0	0	0	0	111.3	G33 R34 V35	S31-G33 VanDerWaalsContact C-N 3.29Å; S31-G33 PolarHBondContact O-N 3.38Å; S31-R34 PolarHBondContact O-N 2.98Å; S31-V35 WeakPolarHBondContact O-CG2 3.43Å; S31-V35 PolarHBondContact O-N 2.91Å
32	Y	62.5	Low	57.3	Low	126 Å²	126	109 Å²	109	49%	0.494	56%	0.555	S	S	.	*	H	α-helix	trans	-59	-42.1	174.7	180	-103	0	0	0	111.5	K28 R34 V35 R36	K28-Y32 PolarHBondContact O-N 2.77Å; Y32-R34 PolarHBondContact O-N 2.9Å; Y32-V35 PolarHBondContact O-N 3.44Å; Y32-R36 WeakPolarHBondContact O-CB 3.38Å; Y32-R36 PolarHBondContact O-N 3.21Å
33	G	69.2	Low	59.9	Low	26 Å²	26	103.3 Å²	103.3	27%	0.268	52%	0.522	S	S	.	.	H	α-helix	trans	-57.8	-46.5	175.8	0	0	0	0	0	112.8	D29 S31 R36 E37	D29-G33 WeakPolarHBondContact O-CA 3.41Å; D29-G33 PolarHBondContact O-N 3.02Å; S31-G33 VanDerWaalsContact C-N 3.29Å; S31-G33 PolarHBondContact O-N 3.38Å; G33-R36 PolarHBondContact O-N 3.27Å; G33-E37 PolarHBondContact O-N 3.46Å
34	R	70.9	Confident	62.6	Low	206 Å²	206	100.9 Å²	100.9	78%	0.777	51%	0.51	S	S	*	.	H	α-helix	trans	-64.8	-45	177.3	-82.5	-178	148.8	173	-5.8	113.2	K30 S31 Y32 R36 E37 A38	K30-R34 PolarHBondContact O-N 3.48Å; S31-R34 PolarHBondContact O-N 2.98Å; Y32-R34 PolarHBondContact O-N 2.9Å; R34-R36 VanDerWaalsContact C-N 3.34Å; R34-E37 PolarHBondContact O-N 3.35Å; R34-A38 WeakPolarHBondContact O-CB 3.36Å; R34-A38 PolarHBondContact O-N 2.9Å
35	V	73.5	Confident	65.1	Low	88 Å²	88	97.2 Å²	97.2	53%	0.533	50%	0.495	S	S	.	.	H	α-helix	trans	-63.6	-43.4	177.6	174.2	0	0	0	0	110.3	S31 Y32 A38 F39	S31-V35 WeakPolarHBondContact O-CG2 3.43Å; S31-V35 PolarHBondContact O-N 2.91Å; Y32-V35 PolarHBondContact O-N 3.44Å; V35-A38 PolarHBondContact O-N 3.32Å; V35-F39 WeakPolarHBondContact O-CB 3.36Å; V35-F39 PolarHBondContact O-N 3.05Å
36	R	76.6	Confident	67.5	Low	42 Å²	42	97.2 Å²	97.2	16%	0.158	49%	0.49	C	S	.	.	H	α-helix	trans	-58.2	-49.2	174.7	173.5	177.4	173.3	-83.2	1.7	111.3	Y32 G33 R34 F39 L40 F52 T225	Y32-R36 WeakPolarHBondContact O-CB 3.38Å; Y32-R36 PolarHBondContact O-N 3.21Å; G33-R36 PolarHBondContact O-N 3.27Å; R34-R36 VanDerWaalsContact C-N 3.34Å; R36-F39 PolarHBondContact O-N 3.45Å; R36-L40 HydrophobicContact CG-CD1 3.89Å; R36-L40 HydrophobicContact CG-CG 4.38Å; R36-L40 WeakPolarHBondContact O-CB 3.24Å; R36-L40 VanDerWaalsContact O-CG 3.23Å; R36-L40 WeakPolarHBondContact O-CG 3.39Å; R36-L40 PolarHBondContact O-N 2.89Å; R36-F52 HydrophobicContact CB-CZ 4.43Å; R36-F52 HydrophobicContact CG-CE1 4.17Å; R36-F52 HydrophobicContact CG-CZ 3.86Å; R36-T225 PolarHBondContact NH1-OG1 3.09Å; R36-T225 PolarHBondContact NH2-OG1 3.14Å
37	E	76.5	Confident	69.8	Low	84 Å²	84	95.7 Å²	95.7	39%	0.393	48%	0.483	S	S	.	.	H	α-helix	trans	-62.7	-43.2	179.1	-81.3	-163.9	-169.7	0	0	112.9	G33 R34 F39 L40 R41	G33-E37 PolarHBondContact O-N 3.46Å; R34-E37 PolarHBondContact O-N 3.35Å; E37-F39 VanDerWaalsContact C-N 3.33Å; E37-F39 PolarHBondContact O-N 2.96Å; E37-L40 PolarHBondContact O-N 3.3Å; E37-R41 WeakPolarHBondContact O-CG 3.36Å; E37-R41 PolarHBondContact O-N 3.4Å; E37-R41 IonicContact OE2-NH2 3.38Å
38	A	77.8	Confident	72	Confident	57 Å²	57	87.6 Å²	87.6	47%	0.471	45%	0.448	S	S	.	.	H	α-helix	trans	-61.1	-45.4	176.3	0	0	0	0	0	111	R34 V35 L40 R41	R34-A38 WeakPolarHBondContact O-CB 3.36Å; R34-A38 PolarHBondContact O-N 2.9Å; V35-A38 PolarHBondContact O-N 3.32Å; A38-L40 PolarHBondContact O-N 3.03Å; A38-R41 PolarHBondContact O-N 2.88Å
39	F	79.7	Confident	74.3	Confident	60 Å²	60	78.9 Å²	78.9	26%	0.263	41%	0.411	S	S	.	.	H	α-helix	trans	-64.4	-40.9	179.4	-166.3	-113.2	0	0	0	112.3	V35 R36 E37 R41 V42 A43 L48 F51 F52	V35-F39 WeakPolarHBondContact O-CB 3.36Å; V35-F39 PolarHBondContact O-N 3.05Å; R36-F39 PolarHBondContact O-N 3.45Å; E37-F39 VanDerWaalsContact C-N 3.33Å; E37-F39 PolarHBondContact O-N 2.96Å; F39-R41 PolarHBondContact O-N 3.14Å; F39-V42 PolarHBondContact O-N 3.21Å; F39-A43 HydrophobicContact CD1-CB 3.93Å; F39-A43 HydrophobicContact CD2-CB 4.01Å; F39-A43 HydrophobicContact CE1-CB 3.66Å; F39-A43 HydrophobicContact CE2-CB 3.74Å; F39-A43 HydrophobicContact CG-CB 4.1Å; F39-A43 HydrophobicContact CZ-CB 3.56Å; F39-A43 WeakPolarHBondContact O-CB 3.33Å; F39-A43 PolarHBondContact O-N 3.3Å; F39-L48 HydrophobicContact CD1-CD2 3.61Å; F39-L48 HydrophobicContact CE1-CD2 3.75Å; F39-F51 HydrophobicContact CD1-CD1 4.13Å; F39-F51 HydrophobicContact CD1-CG 4.29Å; F39-F51 HydrophobicContact CE1-CB 3.61Å; F39-F51 HydrophobicContact CE1-CD1 4.03Å; F39-F51 HydrophobicContact CE1-CD2 4.34Å; F39-F51 AromaticContact CE1-CG 3.74Å; F39-F51 HydrophobicContact CE1-CG 3.74Å; F39-F51 HydrophobicContact CZ-CB 4.11Å; F39-F51 HydrophobicContact CZ-CD2 4.42Å; F39-F51 HydrophobicContact CZ-CG 4.22Å; F39-F52 AromaticContact CD1-CE2 3.95Å; F39-F52 HydrophobicContact CD1-CE2 3.95Å; F39-F52 HydrophobicContact CD1-CZ 4.25Å; F39-F52 HydrophobicContact CE1-CE2 4.44Å
40	L	79.2	Confident	75.6	Confident	42 Å²	42	81.5 Å²	81.5	22%	0.22	41%	0.414	C	S	.	.	H	α-helix	trans	-58.6	-28.5	176.1	-75.8	170.2	0	0	0	113.6	R36 E37 A38 L48 F52 F156	R36-L40 HydrophobicContact CG-CD1 3.89Å; R36-L40 HydrophobicContact CG-CG 4.38Å; R36-L40 WeakPolarHBondContact O-CB 3.24Å; R36-L40 VanDerWaalsContact O-CG 3.23Å; R36-L40 WeakPolarHBondContact O-CG 3.39Å; R36-L40 PolarHBondContact O-N 2.89Å; E37-L40 PolarHBondContact O-N 3.3Å; A38-L40 PolarHBondContact O-N 3.03Å; L40-L48 HydrophobicContact CD2-CD1 4.07Å; L40-L48 HydrophobicContact CD2-CD2 3.75Å; L40-L48 HydrophobicContact CG-CD2 4.49Å; L40-F52 HydrophobicContact CD2-CE2 4.37Å; L40-F156 HydrophobicContact CD1-CD1 4.44Å; L40-F156 HydrophobicContact CD2-CB 3.63Å; L40-F156 HydrophobicContact CD2-CD1 3.65Å; L40-F156 HydrophobicContact CD2-CD2 3.74Å; L40-F156 HydrophobicContact CD2-CE1 4.22Å; L40-F156 HydrophobicContact CD2-CE2 4.3Å; L40-F156 HydrophobicContact CD2-CG 3.37Å
41	R	79	Confident	77	Confident	203 Å²	203	79.8 Å²	79.8	77%	0.766	41%	0.406	S	S	*	.	H	α-helix	trans	-81.2	-24.3	-179.5	-67.7	175.5	-168.7	-158.1	4	113.8	E37 A38 F39	E37-R41 WeakPolarHBondContact O-CG 3.36Å; E37-R41 PolarHBondContact O-N 3.4Å; E37-R41 IonicContact OE2-NH2 3.38Å; A38-R41 PolarHBondContact O-N 2.88Å; F39-R41 PolarHBondContact O-N 3.14Å
42	V	80.7	Confident	78.4	Confident	120 Å²	120	78.3 Å²	78.3	73%	0.727	39%	0.39	S	S	*	.	H	α-helix	trans	-116.8	-22.7	-169.4	-56.8	0	0	0	0	113.8	F39	F39-V42 PolarHBondContact O-N 3.21Å
43	A	80.8	Confident	79.6	Confident	20 Å²	20	73.1 Å²	73.1	17%	0.165	37%	0.372	C	S	.	.	S	Bend	trans	-84.8	143	-174.1	0	0	0	0	0	112.1	F39 L48	F39-A43 HydrophobicContact CD1-CB 3.93Å; F39-A43 HydrophobicContact CD2-CB 4.01Å; F39-A43 HydrophobicContact CE1-CB 3.66Å; F39-A43 HydrophobicContact CE2-CB 3.74Å; F39-A43 HydrophobicContact CG-CB 4.1Å; F39-A43 HydrophobicContact CZ-CB 3.56Å; F39-A43 WeakPolarHBondContact O-CB 3.33Å; F39-A43 PolarHBondContact O-N 3.3Å; A43-L48 HydrophobicContact CB-CD2 3.84Å; A43-L48 HydrophobicContact CB-CG 3.99Å
44	S	84	Confident	80.4	Confident	64 Å²	64	79.4 Å²	79.4	45%	0.448	39%	0.392	S	S	.	.			trans	-65.5	157	168.9	67.7	0	0	0	0	111.3	D46 S47 L48	S44-D46 PolarHBondContact O-N 3.32Å; S44-S47 WeakPolarHBondContact O-CA 3.4Å; S44-S47 WeakPolarHBondContact O-CB 3.5Å; S44-S47 PolarHBondContact O-N 3.42Å; S44-S47 WeakPolarHBondContact OG-CB 3.39Å; S44-S47 PolarHBondContact OG-N 2.96Å; S44-S47 PolarHBondContact OG-OG 3.14Å; S44-L48 WeakPolarHBondContact O-CG 3.38Å; S44-L48 PolarHBondContact O-N 3.32Å
45	S	77.7	Confident	81.1	Confident	66 Å²	66	70 Å²	70	46%	0.462	36%	0.359	S	S	.	.	H	α-helix	trans	-53.2	-39.2	176	-174.4	0	0	0	0	112.7	S47 L48 C49	S45-S47 PolarHBondContact O-N 2.93Å; S45-L48 WeakPolarHBondContact O-CB 3.46Å; S45-L48 PolarHBondContact O-N 3.37Å; S45-C49 PolarHBondContact O-N 3.35Å
46	D	81.5	Confident	81.7	Confident	63 Å²	63	75.9 Å²	75.9	34%	0.337	37%	0.372	S	S	.	.	H	α-helix	trans	-65.4	-39.9	176.4	-71.7	-20.2	0	0	0	112.3	S44 L48 C49 R50 H124	S44-D46 PolarHBondContact O-N 3.32Å; D46-L48 VanDerWaalsContact C-N 3.3Å; D46-L48 PolarHBondContact O-N 2.92Å; D46-C49 PolarHBondContact O-N 3.41Å; D46-R50 WeakPolarHBondContact O-CG 3.48Å; D46-R50 PolarHBondContact O-N 3.41Å; D46-H124 IonicContact OD1-CD2 3.61Å; D46-H124 IonicContact OD1-NE2 3.17Å; D46-H124 IonicContact OD2-NE2 2.7Å
47	S	82.9	Confident	82.1	Confident	49 Å²	49	80.8 Å²	80.8	34%	0.343	40%	0.396	S	S	.	.	H	α-helix	trans	-65.5	-37	176	-58.2	0	0	0	0	110.9	S44 S45 R50 F51	S44-S47 WeakPolarHBondContact O-CA 3.4Å; S44-S47 WeakPolarHBondContact O-CB 3.5Å; S44-S47 PolarHBondContact O-N 3.42Å; S44-S47 WeakPolarHBondContact OG-CB 3.39Å; S44-S47 PolarHBondContact OG-N 2.96Å; S44-S47 PolarHBondContact OG-OG 3.14Å; S45-S47 PolarHBondContact O-N 2.93Å; S47-R50 PolarHBondContact O-N 2.89Å; S47-F51 VanDerWaalsContact O-CB 3.27Å; S47-F51 WeakPolarHBondContact O-CB 3.36Å; S47-F51 PolarHBondContact O-N 2.79Å
48	L	83	Confident	82.9	Confident	15 Å²	15	76.8 Å²	76.8	8%	0.079	38%	0.378	C	S	.	.	H	α-helix	trans	-65.2	-48.3	174.3	-65	173.6	0	0	0	112.3	F39 L40 A43 S44 S45 D46 R50 F51 F52 F156	F39-L48 HydrophobicContact CD1-CD2 3.61Å; F39-L48 HydrophobicContact CE1-CD2 3.75Å; L40-L48 HydrophobicContact CD2-CD1 4.07Å; L40-L48 HydrophobicContact CD2-CD2 3.75Å; L40-L48 HydrophobicContact CG-CD2 4.49Å; A43-L48 HydrophobicContact CB-CD2 3.84Å; A43-L48 HydrophobicContact CB-CG 3.99Å; S44-L48 WeakPolarHBondContact O-CG 3.38Å; S44-L48 PolarHBondContact O-N 3.32Å; S45-L48 WeakPolarHBondContact O-CB 3.46Å; S45-L48 PolarHBondContact O-N 3.37Å; D46-L48 VanDerWaalsContact C-N 3.3Å; D46-L48 PolarHBondContact O-N 2.92Å; L48-R50 VanDerWaalsContact C-N 3.34Å; L48-R50 PolarHBondContact O-N 3.41Å; L48-F51 PolarHBondContact O-N 2.84Å; L48-F52 HydrophobicContact CB-CD2 4.42Å; L48-F52 HydrophobicContact CD2-CD2 4.13Å; L48-F52 HydrophobicContact CD2-CE2 3.66Å; L48-F52 WeakPolarHBondContact O-CD2 3.18Å; L48-F52 PolarHBondContact O-N 2.81Å; L48-F156 HydrophobicContact CB-CE2 4.1Å; L48-F156 HydrophobicContact CD1-CD2 4.07Å; L48-F156 HydrophobicContact CD1-CE2 4.36Å
49	C	82.7	Confident	83.5	Confident	2 Å²	2	77.9 Å²	77.9	1%	0.014	37%	0.372	C	S	.	.	H	α-helix	trans	-59.6	-44.8	174.7	156.6	0	0	0	0	110.4	S45 D46 F51 C53 H122 C125	S45-C49 PolarHBondContact O-N 3.35Å; D46-C49 PolarHBondContact O-N 3.41Å; C49-F51 PolarHBondContact O-N 3.13Å; C49-C53 WeakPolarHBondContact O-CA 3.41Å; C49-C53 WeakPolarHBondContact O-CB 3.42Å; C49-C53 PolarHBondContact O-N 2.83Å; C49-H122 WeakPolarHBondContact CB-ND1 3.39Å; C49-C125 WeakPolarHBondContact CB-SG 3.37Å; C49-C125 WeakPolarHBondContact SG-CB 3.22Å; C49-C125 CovalentContact SG-SG 2.1Å; C49-C125 PolarHBondContact SG-SG 2.9Å
50	R	81.3	Confident	84.1	Confident	147 Å²	147	76.3 Å²	76.3	56%	0.555	37%	0.365	S	S	*	.	H	α-helix	trans	-62.3	-43.6	179.5	-71.2	177.8	-169.1	-178.4	7.4	112.3	D46 S47 L48 K54 H124	D46-R50 WeakPolarHBondContact O-CG 3.48Å; D46-R50 PolarHBondContact O-N 3.41Å; S47-R50 PolarHBondContact O-N 2.89Å; L48-R50 VanDerWaalsContact C-N 3.34Å; L48-R50 PolarHBondContact O-N 3.41Å; R50-K54 PolarHBondContact O-N 2.87Å; R50-H124 PolarHBondContact NH2-CE1 3.49Å; R50-H124 VanDerWaalsContact NH2-CE1 3.29Å; R50-H124 PolarHBondContact NH2-NE2 3.14Å
51	F	82.5	Confident	84.6	Confident	116 Å²	116	74.4 Å²	74.4	51%	0.509	36%	0.355	S	S	.	.	H	α-helix	trans	-71.2	-49.9	-177.3	-171.4	-96.7	0	0	0	112.6	F39 S47 L48 C49	F39-F51 HydrophobicContact CD1-CD1 4.13Å; F39-F51 HydrophobicContact CD1-CG 4.29Å; F39-F51 HydrophobicContact CE1-CB 3.61Å; F39-F51 HydrophobicContact CE1-CD1 4.03Å; F39-F51 HydrophobicContact CE1-CD2 4.34Å; F39-F51 AromaticContact CE1-CG 3.74Å; F39-F51 HydrophobicContact CE1-CG 3.74Å; F39-F51 HydrophobicContact CZ-CB 4.11Å; F39-F51 HydrophobicContact CZ-CD2 4.42Å; F39-F51 HydrophobicContact CZ-CG 4.22Å; S47-F51 VanDerWaalsContact O-CB 3.27Å; S47-F51 WeakPolarHBondContact O-CB 3.36Å; S47-F51 PolarHBondContact O-N 2.79Å; L48-F51 PolarHBondContact O-N 2.84Å; C49-F51 PolarHBondContact O-N 3.13Å
52	F	83.9	Confident	85.2	Confident	49 Å²	49	66.9 Å²	66.9	22%	0.215	33%	0.33	C	S	.	.	H	α-helix	trans	-87.3	-25.2	-172.9	-68.4	-65.2	0	0	0	114	R36 F39 L40 L48 F156	R36-F52 HydrophobicContact CB-CZ 4.43Å; R36-F52 HydrophobicContact CG-CE1 4.17Å; R36-F52 HydrophobicContact CG-CZ 3.86Å; F39-F52 AromaticContact CD1-CE2 3.95Å; F39-F52 HydrophobicContact CD1-CE2 3.95Å; F39-F52 HydrophobicContact CD1-CZ 4.25Å; F39-F52 HydrophobicContact CE1-CE2 4.44Å; L40-F52 HydrophobicContact CD2-CE2 4.37Å; L48-F52 HydrophobicContact CB-CD2 4.42Å; L48-F52 HydrophobicContact CD2-CD2 4.13Å; L48-F52 HydrophobicContact CD2-CE2 3.66Å; L48-F52 WeakPolarHBondContact O-CD2 3.18Å; L48-F52 PolarHBondContact O-N 2.81Å; F52-F156 AromaticContact CD2-CZ 3.93Å; F52-F156 HydrophobicContact CD2-CZ 3.93Å; F52-F156 HydrophobicContact CG-CZ 4.41Å
53	C	87.5	Confident	85.5	Confident	16 Å²	16	61.7 Å²	61.7	11%	0.108	30%	0.298	C	S	.	.	H	α-helix	trans	-113.2	-2.6	-172.5	-54.4	0	0	0	0	113.6	C49 G55 C58 C125	C49-C53 WeakPolarHBondContact O-CA 3.41Å; C49-C53 WeakPolarHBondContact O-CB 3.42Å; C49-C53 PolarHBondContact O-N 2.83Å; C53-G55 PolarHBondContact O-N 3.5Å; C53-C58 HydrophobicContact CB-CB 4.26Å; C53-C58 WeakPolarHBondContact O-CA 3.33Å; C53-C58 WeakPolarHBondContact O-CB 3.42Å; C53-C58 PolarHBondContact O-N 2.97Å; C53-C125 WeakPolarHBondContact CB-SG 3.49Å
54	K	86	Confident	85.9	Confident	159 Å²	159	64.9 Å²	64.9	69%	0.691	33%	0.325	S	S	*	.			trans	58.6	24.9	-178.9	-52.9	-176.2	177.7	-175.1	0	114.4	R50 R56 Q57	R50-K54 PolarHBondContact O-N 2.87Å; K54-R56 PolarHBondContact O-N 3.13Å; K54-Q57 HydrophobicContact CB-CB 4.45Å; K54-Q57 PolarHBondContact O-N 2.86Å
55	G	85.8	Confident	86.1	Confident	9 Å²	9	66.2 Å²	66.2	9%	0.093	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	55.4	-126.5	176.3	0	0	0	0	0	113.4	C53 Q57 C58 H124 C125 G126	C53-G55 PolarHBondContact O-N 3.5Å; G55-Q57 PolarHBondContact O-N 2.88Å; G55-C58 VanDerWaalsContact O-CB 3.23Å; G55-C58 WeakPolarHBondContact O-CB 3.28Å; G55-C58 PolarHBondContact O-N 2.88Å; G55-H124 CarbonylContact C-O 3.52Å; G55-H124 WeakPolarHBondContact CA-O 3.28Å; G55-C125 VanDerWaalsContact O-CA 3.32Å; G55-C125 WeakPolarHBondContact O-CA 3.01Å; G55-G126 PolarHBondContact O-N 3.18Å
56	R	85.7	Confident	86.7	Confident	211 Å²	211	63.5 Å²	63.5	80%	0.796	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-59.1	-21.8	-176.5	-69.7	-171	177.7	-171.1	-0.3	113.9	K54 C58 H124	K54-R56 PolarHBondContact O-N 3.13Å; R56-C58 VanDerWaalsContact C-N 3.29Å; R56-C58 PolarHBondContact O-N 3.28Å; R56-H124 PolarHBondContact N-O 3.39Å; R56-H124 VanDerWaalsContact N-O 3.09Å
57	Q	87.1	Confident	87.1	Confident	144 Å²	144	64 Å²	64	67%	0.673	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-92.1	20.9	175.3	-63.1	-177.8	-10.1	0	0	112.9	K54 G55 K59	K54-Q57 HydrophobicContact CB-CB 4.45Å; K54-Q57 PolarHBondContact O-N 2.86Å; G55-Q57 PolarHBondContact O-N 2.88Å; Q57-K59 PolarHBondContact O-N 3.45Å
58	C	91.4	Very high	87.5	Confident	1 Å²	1	67.6 Å²	67.6	1%	0.007	33%	0.329	C	S	.	.			trans	-59.8	113.6	175.8	-178.7	0	0	0	0	110.6	C53 G55 R56 Y60 C61 N62 C125 H186	C53-C58 HydrophobicContact CB-CB 4.26Å; C53-C58 WeakPolarHBondContact O-CA 3.33Å; C53-C58 WeakPolarHBondContact O-CB 3.42Å; C53-C58 PolarHBondContact O-N 2.97Å; G55-C58 VanDerWaalsContact O-CB 3.23Å; G55-C58 WeakPolarHBondContact O-CB 3.28Å; G55-C58 PolarHBondContact O-N 2.88Å; R56-C58 VanDerWaalsContact C-N 3.29Å; R56-C58 PolarHBondContact O-N 3.28Å; C58-Y60 PolarHBondContact O-N 2.86Å; C58-Y60 VanDerWaalsContact O-N 3.16Å; C58-C61 HydrophobicContact CB-CB 4.26Å; C58-C61 PolarHBondContact O-N 3.26Å; C58-N62 PolarHBondContact O-N 3.25Å; C58-C125 HydrophobicContact CB-CB 4.18Å; C58-H186 PolarHBondContact SG-NE2 2.71Å
59	K	90.3	Very high	87.9	Confident	80 Å²	80	73.1 Å²	73.1	35%	0.348	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	-58.5	-26.9	178.1	67	175.2	-172.1	166	0	113.5	Q57 C61 N62 L65 L66	Q57-K59 PolarHBondContact O-N 3.45Å; K59-C61 VanDerWaalsContact C-N 3.3Å; K59-N62 CarbonylContact O-C 2.98Å; K59-N62 VanDerWaalsContact O-O 3.07Å; K59-L65 HydrophobicContact CB-CB 4.05Å; K59-L66 HydrophobicContact CB-CD2 4.26Å; K59-L66 HydrophobicContact CD-CD2 4.1Å; K59-L66 HydrophobicContact CG-CD2 4.26Å; K59-L66 WeakPolarHBondContact O-CD1 3.46Å; K59-L66 WeakPolarHBondContact O-CG 3.34Å
60	Y	92.3	Very high	88.3	Confident	27 Å²	27	75.5 Å²	75.5	11%	0.106	37%	0.371	C	S	.	.	G	3₁₀ helix	trans	-81.2	-10.1	177.9	-57.1	-65.8	0	0	0	113.4	C58 Y77 A187 L189 Q221	C58-Y60 PolarHBondContact O-N 2.86Å; C58-Y60 VanDerWaalsContact O-N 3.16Å; Y60-Y77 AromaticContact CD1-CD1 3.72Å; Y60-Y77 HydrophobicContact CD1-CD1 3.72Å; Y60-Y77 HydrophobicContact CD1-CE1 4.42Å; Y60-Y77 AromaticContact CD1-CG 3.97Å; Y60-Y77 HydrophobicContact CD1-CG 3.97Å; Y60-Y77 AromaticContact CE1-CD1 3.67Å; Y60-Y77 HydrophobicContact CE1-CD1 3.67Å; Y60-Y77 AromaticContact CE1-CE1 3.92Å; Y60-Y77 HydrophobicContact CE1-CE1 3.92Å; Y60-Y77 HydrophobicContact CE1-CG 4.07Å; Y60-A187 HydrophobicContact CD1-CB 4.1Å; Y60-A187 HydrophobicContact CD2-CB 3.4Å; Y60-A187 VanDerWaalsContact CD2-CB 3.4Å; Y60-A187 HydrophobicContact CE1-CB 4.28Å; Y60-A187 HydrophobicContact CE2-CB 3.59Å; Y60-A187 HydrophobicContact CG-CB 3.66Å; Y60-L189 HydrophobicContact CE2-CD1 4.42Å; Y60-L189 WeakPolarHBondContact OH-CD1 3.46Å; Y60-Q221 PolarHBondContact OH-OE1 3.39Å
61	C	91.6	Very high	88.9	Confident	2 Å²	2	69.6 Å²	69.6	1%	0.014	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-109.5	6.6	172.6	-63.2	0	0	0	0	112.5	C58 K59 R90 S92 H186	C58-C61 HydrophobicContact CB-CB 4.26Å; C58-C61 PolarHBondContact O-N 3.26Å; K59-C61 VanDerWaalsContact C-N 3.3Å; C61-R90 PolarHBondContact SG-NE 3.29Å; C61-R90 VanDerWaalsContact SG-NE 3.39Å; C61-S92 PolarHBondContact O-OG 3.23Å; C61-S92 VanDerWaalsContact O-OG 3.13Å; C61-H186 PolarHBondContact SG-CE1 2.88Å
62	N	90.4	Very high	89.4	Confident	45 Å²	45	67.4 Å²	67.4	24%	0.241	35%	0.345	C	S	.	.			trans	-140.6	94.4	175.3	-174.4	-9.3	0	0	0	108.7	C58 K59 A64 L65 V94	C58-N62 PolarHBondContact O-N 3.25Å; K59-N62 CarbonylContact O-C 2.98Å; K59-N62 VanDerWaalsContact O-O 3.07Å; N62-A64 PolarHBondContact O-N 3.15Å; N62-A64 VanDerWaalsContact O-N 3.1Å; N62-A64 WeakPolarHBondContact OD1-CB 3.39Å; N62-A64 PolarHBondContact OD1-N 3.43Å; N62-L65 HydrophobicContact CB-CD1 3.9Å; N62-L65 HydrophobicContact CB-CG 3.99Å; N62-L65 WeakPolarHBondContact O-CB 3.38Å; N62-L65 PolarHBondContact O-N 3.13Å; N62-V94 HydrophobicContact CB-CG1 4.24Å
63	P	87.1	Confident	89.8	Confident	10 Å²	10	65.8 Å²	65.8	7%	0.065	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-57.3	-24	-178.3	-21.8	31.7	0	0	0	114.1	L65 L66 K71 G75 V94	P63-L65 PolarHBondContact O-N 3.24Å; P63-L66 PolarHBondContact O-N 3.41Å; P63-K71 HydrophobicContact CB-CD 4.2Å; P63-K71 PolarHBondContact O-NZ 3.29Å; P63-G75 VanDerWaalsContact CG-C 3.45Å; P63-G75 WeakPolarHBondContact CG-O 3.46Å; P63-V94 VanDerWaalsContact CD-O 3.3Å; P63-V94 WeakPolarHBondContact CD-O 3.45Å
64	A	88.7	Confident	90	Very high	88 Å²	88	68.9 Å²	68.9	73%	0.727	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-68.7	-16.7	175.8	0	0	0	0	0	113.1	N62 L66	N62-A64 PolarHBondContact O-N 3.15Å; N62-A64 VanDerWaalsContact O-N 3.1Å; N62-A64 WeakPolarHBondContact OD1-CB 3.39Å; N62-A64 PolarHBondContact OD1-N 3.43Å; A64-L66 VanDerWaalsContact C-N 3.32Å
65	L	89.5	Confident	90.1	Very high	91 Å²	91	61.4 Å²	61.4	48%	0.476	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-89.3	2	175.4	-58.4	-179.2	0	0	0	113	K59 N62 P63	K59-L65 HydrophobicContact CB-CB 4.05Å; N62-L65 HydrophobicContact CB-CD1 3.9Å; N62-L65 HydrophobicContact CB-CG 3.99Å; N62-L65 WeakPolarHBondContact O-CB 3.38Å; N62-L65 PolarHBondContact O-N 3.13Å; P63-L65 PolarHBondContact O-N 3.24Å
66	L	89.2	Confident	90.4	Very high	9 Å²	9	61.1 Å²	61.1	5%	0.047	32%	0.319	C	S	.	.	S	Bend	trans	-115.4	135.2	-178.4	-66.9	166.2	0	0	0	110.2	K59 P63 A64 K71 Y77	K59-L66 HydrophobicContact CB-CD2 4.26Å; K59-L66 HydrophobicContact CD-CD2 4.1Å; K59-L66 HydrophobicContact CG-CD2 4.26Å; K59-L66 WeakPolarHBondContact O-CD1 3.46Å; K59-L66 WeakPolarHBondContact O-CG 3.34Å; P63-L66 PolarHBondContact O-N 3.41Å; A64-L66 VanDerWaalsContact C-N 3.32Å; L66-K71 PolarHBondContact O-NZ 3.49Å; L66-Y77 HydrophobicContact CD1-CD2 4.37Å; L66-Y77 HydrophobicContact CD1-CG 4.32Å
67	P	91.3	Very high	90.8	Very high	74 Å²	74	51.5 Å²	51.5	48%	0.481	28%	0.283	S	S	.	.			trans	-63.3	153.7	171.3	28.4	-34.8	0	0	0	111.4	D69 L70	P67-D69 VanDerWaalsContact C-N 3.31Å; P67-D69 VanDerWaalsContact CB-OD1 3.24Å; P67-D69 WeakPolarHBondContact CB-OD1 3.44Å; P67-D69 WeakPolarHBondContact CG-OD1 3.28Å; P67-D69 PolarHBondContact O-N 3.41Å; P67-L70 HydrophobicContact CG-CD1 3.81Å; P67-L70 HydrophobicContact CG-CG 4Å; P67-L70 PolarHBondContact O-N 3.02Å
68	D	90.8	Very high	91.1	Very high	125 Å²	125	44.7 Å²	44.7	67%	0.668	25%	0.25	S	S	*	.	G	3₁₀ helix	trans	-68.3	-29	-169.5	-64.1	-24.1	0	0	0	113.4	L70 K71	D68-L70 PolarHBondContact O-N 3.25Å; D68-L70 VanDerWaalsContact O-N 3.12Å; D68-K71 PolarHBondContact O-N 3.3Å; D68-K71 VanDerWaalsContact OD1-CE 3.27Å; D68-K71 WeakPolarHBondContact OD1-CE 3.47Å; D68-K71 IonicContact OD1-NZ 2.85Å; D68-K71 PolarHBondContact OD1-NZ 3.38Å
69	D	91.1	Very high	91.3	Very high	131 Å²	131	45.7 Å²	45.7	70%	0.701	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-62.9	-17	175.5	67.7	-36.7	0	0	0	113.4	P67	P67-D69 VanDerWaalsContact C-N 3.31Å; P67-D69 VanDerWaalsContact CB-OD1 3.24Å; P67-D69 WeakPolarHBondContact CB-OD1 3.44Å; P67-D69 WeakPolarHBondContact CG-OD1 3.28Å; P67-D69 PolarHBondContact O-N 3.41Å
70	L	91.6	Very high	91.6	Very high	51 Å²	51	44.9 Å²	44.9	27%	0.267	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-95.1	5.5	175.5	-61.6	-172.4	0	0	0	113.8	P67 D68 Y77 S78	P67-L70 HydrophobicContact CG-CD1 3.81Å; P67-L70 HydrophobicContact CG-CG 4Å; P67-L70 PolarHBondContact O-N 3.02Å; D68-L70 PolarHBondContact O-N 3.25Å; D68-L70 VanDerWaalsContact O-N 3.12Å; L70-Y77 HydrophobicContact CB-CD2 3.85Å; L70-Y77 HydrophobicContact CB-CE2 3.83Å; L70-Y77 HydrophobicContact CD1-CE2 4.18Å; L70-Y77 HydrophobicContact CD2-CE2 4.31Å; L70-Y77 HydrophobicContact CG-CE2 4.34Å; L70-Y77 VanDerWaalsContact O-CD2 3.24Å; L70-Y77 WeakPolarHBondContact O-CD2 3.47Å; L70-S78 PolarHBondContact O-N 2.96Å; L70-S78 VanDerWaalsContact O-N 3.08Å
71	K	92.5	Very high	91.8	Very high	23 Å²	23	43.6 Å²	43.6	10%	0.1	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-124.1	73.7	-177.2	-57.2	-171.5	-63.9	-106.9	0	110.4	P63 L66 D68 I73	P63-K71 HydrophobicContact CB-CD 4.2Å; P63-K71 PolarHBondContact O-NZ 3.29Å; L66-K71 PolarHBondContact O-NZ 3.49Å; D68-K71 PolarHBondContact O-N 3.3Å; D68-K71 VanDerWaalsContact OD1-CE 3.27Å; D68-K71 WeakPolarHBondContact OD1-CE 3.47Å; D68-K71 IonicContact OD1-NZ 2.85Å; D68-K71 PolarHBondContact OD1-NZ 3.38Å; K71-I73 CarbonylContact O-C 3.32Å; K71-I73 PolarHBondContact O-N 2.96Å
72	T	93.5	Very high	92	Very high	70 Å²	70	44.6 Å²	44.6	43%	0.429	25%	0.253	S	S	.	.	S	Bend	trans	-56.7	-35.2	178.4	-56.3	0	0	0	0	112.9	S78 T79 W80	T72-S78 PolarHBondContact N-O 3.14Å; T72-S78 PolarHBondContact N-OG 3.03Å; T72-S78 VanDerWaalsContact N-OG 3.14Å; T72-S78 PolarHBondContact OG1-O 3.04Å; T72-S78 VanDerWaalsContact OG1-O 3.09Å; T72-T79 WeakPolarHBondContact OG1-CA 3.27Å; T72-W80 HydrophobicContact CG2-CG 4.23Å
73	I	92.8	Very high	92.3	Very high	15 Å²	15	48.8 Å²	48.8	8%	0.077	28%	0.275	C	S	.	.	S	Bend	trans	-108.5	123.5	159.2	-60	-178.5	0	0	0	106.5	K71 F76 S78 L86 K104 L105 A108	K71-I73 CarbonylContact O-C 3.32Å; K71-I73 PolarHBondContact O-N 2.96Å; I73-F76 HydrophobicContact CB-CE2 4.22Å; I73-F76 HydrophobicContact CB-CZ 3.84Å; I73-F76 HydrophobicContact CD1-CZ 4.45Å; I73-F76 HydrophobicContact CG2-CE1 4.02Å; I73-F76 HydrophobicContact CG2-CZ 3.74Å; I73-S78 PolarHBondContact N-OG 2.99Å; I73-S78 PolarHBondContact O-OG 3.28Å; I73-S78 VanDerWaalsContact O-OG 3.1Å; I73-L86 HydrophobicContact CD1-CD1 4.42Å; I73-L86 HydrophobicContact CD1-CD2 3.63Å; I73-L86 HydrophobicContact CG1-CD2 4.43Å; I73-K104 HydrophobicContact CG2-CB 3.85Å; I73-L105 HydrophobicContact CD1-CD2 3.78Å; I73-A108 HydrophobicContact CD1-CB 3.58Å; I73-A108 HydrophobicContact CG1-CB 4.41Å
74	D	90.5	Very high	92.8	Very high	81 Å²	81	51.8 Å²	51.8	43%	0.433	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	146.3	178.1	177.5	49.2	0	0	0	111.7	K104	D74-K104 WeakPolarHBondContact O-CD 3.46Å; D74-K104 IonicContact OD2-NZ 2.86Å; D74-K104 PolarHBondContact OD2-NZ 2.94Å
75	G	89	Confident	93.2	Very high	2 Å²	2	47.7 Å²	47.7	2%	0.021	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	96.3	-3.9	-177.6	0	0	0	0	0	115.5	P63 T96	P63-G75 VanDerWaalsContact CG-C 3.45Å; P63-G75 WeakPolarHBondContact CG-O 3.46Å; G75-T96 WeakPolarHBondContact CA-OG1 3.34Å
76	F	91.9	Very high	93.6	Very high	4 Å²	4	43.3 Å²	43.3	2%	0.018	23%	0.234	C	C	.	.	S	Bend	trans	-166	160.8	168.5	48.2	-89.7	0	0	0	113.1	I73 S78 L86 F88 L101 L105	I73-F76 HydrophobicContact CB-CE2 4.22Å; I73-F76 HydrophobicContact CB-CZ 3.84Å; I73-F76 HydrophobicContact CD1-CZ 4.45Å; I73-F76 HydrophobicContact CG2-CE1 4.02Å; I73-F76 HydrophobicContact CG2-CZ 3.74Å; F76-S78 VanDerWaalsContact CE2-CB 3.48Å; F76-S78 PolarHBondContact O-N 3.28Å; F76-S78 VanDerWaalsContact O-N 3.1Å; F76-S78 PolarHBondContact O-OG 3.01Å; F76-L86 HydrophobicContact CE2-CD2 4.25Å; F76-F88 HydrophobicContact CD2-CB 3.69Å; F76-F88 AromaticContact CD2-CD2 3.68Å; F76-F88 HydrophobicContact CD2-CD2 3.68Å; F76-F88 HydrophobicContact CD2-CG 4.18Å; F76-F88 HydrophobicContact CE2-CB 3.62Å; F76-F88 AromaticContact CE2-CD2 3.47Å; F76-F88 HydrophobicContact CE2-CD2 3.47Å; F76-F88 VanDerWaalsContact CE2-CD2 3.47Å; F76-F88 HydrophobicContact CE2-CE2 4.43Å; F76-F88 AromaticContact CE2-CG 3.91Å; F76-F88 HydrophobicContact CE2-CG 3.91Å; F76-F88 HydrophobicContact CG-CD2 4.43Å; F76-F88 HydrophobicContact CZ-CD2 4.11Å; F76-L101 HydrophobicContact CD1-CD1 3.3Å; F76-L101 HydrophobicContact CD1-CD2 3.77Å; F76-L101 HydrophobicContact CD1-CG 3.77Å; F76-L101 HydrophobicContact CE1-CD1 3.38Å; F76-L101 HydrophobicContact CE1-CD2 3.86Å; F76-L101 HydrophobicContact CE1-CG 3.53Å; F76-L105 HydrophobicContact CE1-CD1 4.38Å; F76-L105 HydrophobicContact CE1-CG 4.43Å; F76-L105 HydrophobicContact CZ-CD1 4.22Å; F76-L105 HydrophobicContact CZ-CD2 3.82Å; F76-L105 HydrophobicContact CZ-CG 4.03Å
77	Y	93.5	Very high	94	Very high	9 Å²	9	42.9 Å²	42.9	4%	0.035	23%	0.231	C	C	.	.			trans	-60.6	112.5	172.4	-176.6	-123.2	0	0	0	110.6	Y60 L66 L70 F88 A89 A187 L189	Y60-Y77 AromaticContact CD1-CD1 3.72Å; Y60-Y77 HydrophobicContact CD1-CD1 3.72Å; Y60-Y77 HydrophobicContact CD1-CE1 4.42Å; Y60-Y77 AromaticContact CD1-CG 3.97Å; Y60-Y77 HydrophobicContact CD1-CG 3.97Å; Y60-Y77 AromaticContact CE1-CD1 3.67Å; Y60-Y77 HydrophobicContact CE1-CD1 3.67Å; Y60-Y77 AromaticContact CE1-CE1 3.92Å; Y60-Y77 HydrophobicContact CE1-CE1 3.92Å; Y60-Y77 HydrophobicContact CE1-CG 4.07Å; L66-Y77 HydrophobicContact CD1-CD2 4.37Å; L66-Y77 HydrophobicContact CD1-CG 4.32Å; L70-Y77 HydrophobicContact CB-CD2 3.85Å; L70-Y77 HydrophobicContact CB-CE2 3.83Å; L70-Y77 HydrophobicContact CD1-CE2 4.18Å; L70-Y77 HydrophobicContact CD2-CE2 4.31Å; L70-Y77 HydrophobicContact CG-CE2 4.34Å; L70-Y77 VanDerWaalsContact O-CD2 3.24Å; L70-Y77 WeakPolarHBondContact O-CD2 3.47Å; Y77-F88 CarbonylContact O-C 3.5Å; Y77-F88 VanDerWaalsContact O-CA 3.22Å; Y77-F88 WeakPolarHBondContact O-CA 3.12Å; Y77-A89 HydrophobicContact CD1-CB 4.49Å; Y77-A89 PolarHBondContact O-N 2.85Å; Y77-A187 WeakPolarHBondContact CD1-O 3.38Å; Y77-L189 HydrophobicContact CE1-CD2 3.72Å; Y77-L189 HydrophobicContact CE1-CG 4.49Å
78	S	95.1	Very high	94.2	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	147.3	-171.8	56	0	0	0	0	112.3	L70 T72 I73 F76 A87	L70-S78 PolarHBondContact O-N 2.96Å; L70-S78 VanDerWaalsContact O-N 3.08Å; T72-S78 PolarHBondContact N-O 3.14Å; T72-S78 PolarHBondContact N-OG 3.03Å; T72-S78 VanDerWaalsContact N-OG 3.14Å; T72-S78 PolarHBondContact OG1-O 3.04Å; T72-S78 VanDerWaalsContact OG1-O 3.09Å; I73-S78 PolarHBondContact N-OG 2.99Å; I73-S78 PolarHBondContact O-OG 3.28Å; I73-S78 VanDerWaalsContact O-OG 3.1Å; F76-S78 VanDerWaalsContact CE2-CB 3.48Å; F76-S78 PolarHBondContact O-N 3.28Å; F76-S78 VanDerWaalsContact O-N 3.1Å; F76-S78 PolarHBondContact O-OG 3.01Å; S78-A87 CarbonylContact C-O 3.54Å; S78-A87 WeakPolarHBondContact CA-O 3.4Å
79	T	95.4	Very high	94.4	Very high	23 Å²	23	33.4 Å²	33.4	14%	0.141	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	133.2	177	-45.1	0	0	0	0	110.4	T72 V81 A87 R218 R219	T72-T79 WeakPolarHBondContact OG1-CA 3.27Å; T79-V81 PolarHBondContact O-N 3.31Å; T79-A87 PolarHBondContact N-O 3.23Å; T79-A87 PolarHBondContact O-N 3.42Å; T79-R218 WeakPolarHBondContact CG2-O 3.16Å; T79-R219 PolarHBondContact OG1-NH1 3.3Å
80	W	96.3	Very high	94.6	Very high	62 Å²	62	27.4 Å²	27.4	24%	0.235	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	114.4	165.7	-72.2	119.5	0	0	0	109.5	T72 L86 A108 I110 K180	T72-W80 HydrophobicContact CG2-CG 4.23Å; W80-L86 HydrophobicContact CD2-CB 4.44Å; W80-L86 HydrophobicContact CD2-CD1 3.76Å; W80-L86 HydrophobicContact CE3-CB 3.88Å; W80-L86 HydrophobicContact CE3-CD1 4.07Å; W80-L86 HydrophobicContact CG-CD1 4.16Å; W80-L86 HydrophobicContact CH2-CB 4.09Å; W80-L86 HydrophobicContact CH2-CD1 4.49Å; W80-L86 HydrophobicContact CZ2-CD1 4.24Å; W80-L86 HydrophobicContact CZ3-CB 3.69Å; W80-L86 HydrophobicContact CZ3-CD1 4.42Å; W80-A108 HydrophobicContact CZ2-CB 4.19Å; W80-I110 HydrophobicContact CH2-CD1 3.6Å; W80-I110 HydrophobicContact CH2-CG1 4.44Å; W80-I110 HydrophobicContact CZ3-CD1 4.11Å; W80-K180 HydrophobicContact CH2-CB 4.07Å; W80-K180 HydrophobicContact CH2-CD 3.37Å; W80-K180 HydrophobicContact CH2-CG 4.36Å; W80-K180 HydrophobicContact CZ2-CD 4.14Å; W80-K180 HydrophobicContact CZ3-CB 4.2Å; W80-K180 HydrophobicContact CZ3-CD 3.71Å
81	V	95.7	Very high	94.7	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.131	C	C	.	.	S	Bend	trans	-86.2	-38.7	174.9	-176.7	0	0	0	0	110	T79 I85 A87 I196 Y214 V215 R218	T79-V81 PolarHBondContact O-N 3.31Å; V81-I85 PolarHBondContact N-O 3Å; V81-A87 HydrophobicContact CG2-CB 3.51Å; V81-I196 HydrophobicContact CB-CD1 4.35Å; V81-I196 HydrophobicContact CB-CG2 4.29Å; V81-I196 HydrophobicContact CG1-CG2 3.75Å; V81-I196 HydrophobicContact CG2-CD1 3.94Å; V81-Y214 HydrophobicContact CG1-CE1 4.39Å; V81-Y214 WeakPolarHBondContact O-CE1 3.44Å; V81-Y214 PolarHBondContact O-OH 3.05Å; V81-V215 HydrophobicContact CG1-CB 4.43Å; V81-V215 HydrophobicContact CG1-CG1 4.46Å; V81-V215 HydrophobicContact CG1-CG2 3.89Å; V81-R218 WeakPolarHBondContact O-CD 3.38Å; V81-R218 PolarHBondContact O-NE 3Å
82	T	95.9	Very high	94.3	Very high	23 Å²	23	24.2 Å²	24.2	14%	0.141	13%	0.129	C	C	.	.	S	Bend	trans	-125.5	179.4	164.8	70.1	0	0	0	0	108.4	D84 I85 L200 Y214	T82-D84 PolarHBondContact O-N 2.86Å; T82-D84 VanDerWaalsContact O-N 3.13Å; T82-D84 PolarHBondContact OG1-N 3.04Å; T82-I85 HydrophobicContact CG2-CD1 4.27Å; T82-I85 PolarHBondContact N-O 2.65Å; T82-I85 VanDerWaalsContact OG1-CB 3.3Å; T82-I85 WeakPolarHBondContact OG1-CB 3.29Å; T82-I85 VanDerWaalsContact OG1-CG1 3.29Å; T82-I85 WeakPolarHBondContact OG1-CG1 3.12Å; T82-I85 PolarHBondContact OG1-N 3.37Å; T82-L200 HydrophobicContact CG2-CD2 3.96Å; T82-Y214 HydrophobicContact CG2-CE1 4.01Å
83	D	96.2	Very high	93.4	Very high	133 Å²	133	23.3 Å²	23.3	71%	0.711	13%	0.128	S	C	*	.	S	Bend	trans	-60.5	-22.5	176.1	-59.9	-30.2	0	0	0	112.7	K180	D83-K180 WeakPolarHBondContact O-CD 3.32Å; D83-K180 WeakPolarHBondContact O-CE 3.4Å; D83-K180 PolarHBondContact O-NZ 2.96Å
84	D	97.8	Very high	92.7	Very high	74 Å²	74	23.8 Å²	23.8	40%	0.396	13%	0.132	S	C	.	.	S	Bend	trans	-123.2	-1.5	-173	-52.4	-52	0	0	0	114.8	T82 L175 K180 I181	T82-D84 PolarHBondContact O-N 2.86Å; T82-D84 VanDerWaalsContact O-N 3.13Å; T82-D84 PolarHBondContact OG1-N 3.04Å; D84-L175 HydrophobicContact CB-CD2 3.59Å; D84-K180 HydrophobicContact CB-CG 4.17Å; D84-K180 WeakPolarHBondContact O-CA 3.34Å; D84-K180 WeakPolarHBondContact O-CB 3.45Å; D84-I181 PolarHBondContact O-N 2.89Å
85	I	98.2	Very high	92	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.005	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	111.5	-178.4	-56.1	174.4	0	0	0	110.6	V81 T82 M171 L175 I181 V183 I196 F199	V81-I85 PolarHBondContact N-O 3Å; T82-I85 HydrophobicContact CG2-CD1 4.27Å; T82-I85 PolarHBondContact N-O 2.65Å; T82-I85 VanDerWaalsContact OG1-CB 3.3Å; T82-I85 WeakPolarHBondContact OG1-CB 3.29Å; T82-I85 VanDerWaalsContact OG1-CG1 3.29Å; T82-I85 WeakPolarHBondContact OG1-CG1 3.12Å; T82-I85 PolarHBondContact OG1-N 3.37Å; I85-M171 HydrophobicContact CD1-CE 4.48Å; I85-L175 HydrophobicContact CD1-CD1 4.18Å; I85-L175 HydrophobicContact CG1-CD1 4.21Å; I85-I181 WeakPolarHBondContact CA-O 3.43Å; I85-I181 HydrophobicContact CB-CG1 4.37Å; I85-I181 HydrophobicContact CD1-CD1 4.45Å; I85-I181 HydrophobicContact CG1-CD1 4.06Å; I85-I181 HydrophobicContact CG1-CG1 3.86Å; I85-I181 HydrophobicContact CG2-CG1 4.27Å; I85-V183 HydrophobicContact CG2-CG2 4.28Å; I85-I196 HydrophobicContact CG2-CD1 3.85Å; I85-I196 HydrophobicContact CG2-CG1 3.92Å; I85-I196 HydrophobicContact CG2-CG2 4.42Å; I85-F199 HydrophobicContact CD1-CD1 3.4Å; I85-F199 HydrophobicContact CD1-CE1 3.44Å; I85-F199 VanDerWaalsContact CD1-CE1 3.44Å; I85-F199 HydrophobicContact CD1-CG 4.33Å; I85-F199 HydrophobicContact CD1-CZ 4.39Å
86	L	97.9	Very high	91.6	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	123	174	-170.5	76.6	0	0	0	110.4	I73 F76 W80 F88 L105 I110 I181 A182 V183	I73-L86 HydrophobicContact CD1-CD1 4.42Å; I73-L86 HydrophobicContact CD1-CD2 3.63Å; I73-L86 HydrophobicContact CG1-CD2 4.43Å; F76-L86 HydrophobicContact CE2-CD2 4.25Å; W80-L86 HydrophobicContact CD2-CB 4.44Å; W80-L86 HydrophobicContact CD2-CD1 3.76Å; W80-L86 HydrophobicContact CE3-CB 3.88Å; W80-L86 HydrophobicContact CE3-CD1 4.07Å; W80-L86 HydrophobicContact CG-CD1 4.16Å; W80-L86 HydrophobicContact CH2-CB 4.09Å; W80-L86 HydrophobicContact CH2-CD1 4.49Å; W80-L86 HydrophobicContact CZ2-CD1 4.24Å; W80-L86 HydrophobicContact CZ3-CB 3.69Å; W80-L86 HydrophobicContact CZ3-CD1 4.42Å; L86-F88 HydrophobicContact CD2-CB 4.33Å; L86-F88 HydrophobicContact CD2-CG 4.43Å; L86-F88 HydrophobicContact CG-CB 4.47Å; L86-L105 HydrophobicContact CD2-CD2 3.87Å; L86-I110 HydrophobicContact CB-CD1 4.11Å; L86-I181 PolarHBondContact N-O 2.82Å; L86-A182 HydrophobicContact CB-CB 4.07Å; L86-A182 HydrophobicContact CD2-CB 4.17Å; L86-A182 CarbonylContact O-C 3.59Å; L86-A182 WeakPolarHBondContact O-CA 2.87Å; L86-V183 PolarHBondContact O-N 3.27Å
87	A	97.1	Very high	91.4	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	128.3	164.5	0	0	0	0	0	109.2	S78 T79 V81 T192 I196 R219	S78-A87 CarbonylContact C-O 3.54Å; S78-A87 WeakPolarHBondContact CA-O 3.4Å; T79-A87 PolarHBondContact N-O 3.23Å; T79-A87 PolarHBondContact O-N 3.42Å; V81-A87 HydrophobicContact CG2-CB 3.51Å; A87-T192 HydrophobicContact CB-CG2 3.68Å; A87-I196 HydrophobicContact CB-CD1 3.77Å; A87-R219 PolarHBondContact O-NH1 3.41Å; A87-R219 PolarHBondContact O-NH2 2.86Å
88	F	96.1	Very high	91.2	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	158.5	-176.8	73.5	-58.2	0	0	0	113.6	F76 Y77 L86 P91 I113 A182 V183 H184 G188	F76-F88 HydrophobicContact CD2-CB 3.69Å; F76-F88 AromaticContact CD2-CD2 3.68Å; F76-F88 HydrophobicContact CD2-CD2 3.68Å; F76-F88 HydrophobicContact CD2-CG 4.18Å; F76-F88 HydrophobicContact CE2-CB 3.62Å; F76-F88 AromaticContact CE2-CD2 3.47Å; F76-F88 HydrophobicContact CE2-CD2 3.47Å; F76-F88 VanDerWaalsContact CE2-CD2 3.47Å; F76-F88 HydrophobicContact CE2-CE2 4.43Å; F76-F88 AromaticContact CE2-CG 3.91Å; F76-F88 HydrophobicContact CE2-CG 3.91Å; F76-F88 HydrophobicContact CG-CD2 4.43Å; F76-F88 HydrophobicContact CZ-CD2 4.11Å; Y77-F88 CarbonylContact O-C 3.5Å; Y77-F88 VanDerWaalsContact O-CA 3.22Å; Y77-F88 WeakPolarHBondContact O-CA 3.12Å; L86-F88 HydrophobicContact CD2-CB 4.33Å; L86-F88 HydrophobicContact CD2-CG 4.43Å; L86-F88 HydrophobicContact CG-CB 4.47Å; F88-P91 HydrophobicContact CE2-CG 3.81Å; F88-I113 HydrophobicContact CE1-CG2 4.45Å; F88-I113 HydrophobicContact CZ-CG2 3.97Å; F88-A182 HydrophobicContact CD1-CB 3.79Å; F88-A182 HydrophobicContact CE1-CB 3.34Å; F88-A182 HydrophobicContact CZ-CB 3.93Å; F88-V183 WeakPolarHBondContact CD1-O 3.19Å; F88-V183 PolarHBondContact N-O 2.96Å; F88-V183 VanDerWaalsContact N-O 3.17Å; F88-H184 HydrophobicContact CD1-CB 3.68Å; F88-H184 HydrophobicContact CD2-CB 4.45Å; F88-H184 HydrophobicContact CE1-CB 3.52Å; F88-H184 AromaticContact CE1-CD2 3.65Å; F88-H184 AromaticContact CE1-CG 3.93Å; F88-H184 HydrophobicContact CE2-CB 4.38Å; F88-H184 HydrophobicContact CG-CB 4.12Å; F88-H184 HydrophobicContact CZ-CB 3.92Å; F88-H184 AromaticContact CZ-CD2 3.4Å; F88-H184 VanDerWaalsContact CZ-CD2 3.4Å; F88-H184 WeakPolarHBondContact CZ-CD2 3.49Å; F88-H184 AromaticContact CZ-CG 3.89Å; F88-H184 WeakPolarHBondContact O-CA 3.28Å; F88-H184 WeakPolarHBondContact O-CB 3.24Å; F88-G188 WeakPolarHBondContact O-CA 3.36Å
89	A	95	Very high	91	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-73.6	157.5	167.3	0	0	0	0	0	110.2	Y77 H186	Y77-A89 HydrophobicContact CD1-CB 4.49Å; Y77-A89 PolarHBondContact O-N 2.85Å; A89-H186 WeakPolarHBondContact CA-O 3.41Å
90	R	95	Very high	90.9	Very high	4 Å²	4	37.8 Å²	37.8	2%	0.015	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-55.1	136.6	178	71.9	-178.4	-175.3	179.7	-3.7	110.7	C61 S92 Q117 H122 C125 S135 H186	C61-R90 PolarHBondContact SG-NE 3.29Å; C61-R90 VanDerWaalsContact SG-NE 3.39Å; R90-S92 PolarHBondContact O-N 2.82Å; R90-Q117 VanDerWaalsContact CB-OE1 3.28Å; R90-H122 PolarHBondContact NH2-O 3.2Å; R90-H122 VanDerWaalsContact NH2-O 3.11Å; R90-C125 PolarHBondContact NH2-O 3.05Å; R90-S135 VanDerWaalsContact CD-OG 3.29Å; R90-S135 WeakPolarHBondContact CD-OG 3.47Å; R90-H186 WeakPolarHBondContact CD-ND1 3.24Å; R90-H186 PolarHBondContact N-O 2.92Å; R90-H186 PolarHBondContact NE-CE1 3.4Å; R90-H186 PolarHBondContact NE-ND1 3.02Å
91	P	93.3	Very high	90.7	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-51.6	137.8	166.7	-30.2	35.8	0	0	0	111.9	F88 M98 L101 S135 Y136 F141	F88-P91 HydrophobicContact CE2-CG 3.81Å; P91-M98 HydrophobicContact CB-CE 4.08Å; P91-M98 HydrophobicContact CB-SD 3.93Å; P91-L101 HydrophobicContact CB-CD2 3.61Å; P91-L101 HydrophobicContact CG-CD2 4.06Å; P91-S135 WeakPolarHBondContact O-CB 3.4Å; P91-S135 PolarHBondContact O-OG 3.07Å; P91-Y136 HydrophobicContact CB-CD1 3.66Å; P91-Y136 HydrophobicContact CB-CE1 4.14Å; P91-Y136 HydrophobicContact CB-CG 4.04Å; P91-Y136 HydrophobicContact CG-CD1 3.94Å; P91-Y136 HydrophobicContact CG-CE1 3.88Å; P91-Y136 HydrophobicContact CG-CG 4.45Å; P91-F141 HydrophobicContact CG-CE2 4.44Å; P91-F141 HydrophobicContact CG-CZ 4.01Å
92	S	84.8	Confident	90.6	Very high	7 Å²	7	35.3 Å²	35.3	5%	0.049	22%	0.215	C	C	.	.			trans	-140.8	135.8	168.8	57.3	0	0	0	0	107.6	C61 R90 V94	C61-S92 PolarHBondContact O-OG 3.23Å; C61-S92 VanDerWaalsContact O-OG 3.13Å; R90-S92 PolarHBondContact O-N 2.82Å; S92-V94 PolarHBondContact O-N 2.71Å
93	A	73.8	Confident	90.5	Very high	51 Å²	51	37.8 Å²	37.8	42%	0.421	23%	0.228	S	C	.	.	S	Bend	trans	-70.5	39.9	176	0	0	0	0	0	112.9	M98	A93-M98 HydrophobicContact CB-CG 4.11Å
94	V	78	Confident	90.5	Very high	25 Å²	25	33.5 Å²	33.5	15%	0.152	20%	0.202	C	C	.	.	S	Bend	trans	-109.6	111.7	-178.6	-179.7	0	0	0	0	107.9	N62 P63 S92 T96 Q127	N62-V94 HydrophobicContact CB-CG1 4.24Å; P63-V94 VanDerWaalsContact CD-O 3.3Å; P63-V94 WeakPolarHBondContact CD-O 3.45Å; S92-V94 PolarHBondContact O-N 2.71Å; V94-T96 PolarHBondContact O-N 3.36Å; V94-Q127 HydrophobicContact CG2-CB 4.45Å; V94-Q127 HydrophobicContact CG2-CG 3.34Å
95	G	76.4	Confident	90.3	Very high	82 Å²	82	30 Å²	30	85%	0.845	18%	0.184	S	C	*	.	S	Bend	trans	81.8	-23.4	178.6	0	0	0	0	0	114.7
96	T	80.1	Confident	90.2	Very high	10 Å²	10	31.6 Å²	31.6	6%	0.061	20%	0.2	C	C	.	.	S	Bend	trans	-135.6	128	172.2	-52.4	0	0	0	0	108.7	G75 V94 E100 L101	G75-T96 WeakPolarHBondContact CA-OG1 3.34Å; V94-T96 PolarHBondContact O-N 3.36Å; T96-E100 HydrophobicContact CG2-CB 3.99Å; T96-E100 HydrophobicContact CG2-CG 4.09Å; T96-L101 HydrophobicContact CG2-CD1 3.91Å
97	E	87.5	Confident	90	Very high	128 Å²	128	39.2 Å²	39.2	60%	0.598	23%	0.234	S	C	*	.			trans	-66.4	145.8	178	-69.7	-61	141.6	0	0	110.7	E100 L101	E97-E100 PolarHBondContact O-N 2.89Å; E97-E100 VanDerWaalsContact O-N 3.12Å; E97-L101 PolarHBondContact O-N 2.83Å
98	M	90.4	Very high	90	Very high	14 Å²	14	40.5 Å²	40.5	7%	0.069	25%	0.245	C	C	.	.	H	α-helix	trans	-55.7	-43.9	-177.3	-80	-59	-50.9	0	0	113.6	P91 A93 E100 L101 I102 Y136 L140 F141	P91-M98 HydrophobicContact CB-CE 4.08Å; P91-M98 HydrophobicContact CB-SD 3.93Å; A93-M98 HydrophobicContact CB-CG 4.11Å; M98-E100 VanDerWaalsContact C-N 3.33Å; M98-E100 PolarHBondContact O-N 3.38Å; M98-L101 HydrophobicContact CE-CD2 4.45Å; M98-L101 VanDerWaalsContact O-CB 3.27Å; M98-L101 WeakPolarHBondContact O-CB 3.23Å; M98-L101 PolarHBondContact O-N 2.96Å; M98-L101 VanDerWaalsContact O-N 3.14Å; M98-L101 HydrophobicContact SD-CD2 4.22Å; M98-I102 HydrophobicContact CE-CD1 4.27Å; M98-I102 HydrophobicContact CE-CG1 4.34Å; M98-I102 WeakPolarHBondContact O-CD1 3.4Å; M98-I102 VanDerWaalsContact O-CG1 3.23Å; M98-I102 WeakPolarHBondContact O-CG1 3.43Å; M98-I102 PolarHBondContact O-N 3.41Å; M98-Y136 HydrophobicContact CE-CG 4.35Å; M98-L140 HydrophobicContact CB-CD1 4.08Å; M98-L140 HydrophobicContact CG-CD1 4.46Å; M98-F141 HydrophobicContact CE-CE2 3.56Å; M98-F141 HydrophobicContact CE-CZ 3.64Å
99	P	91.1	Very high	90	Very high	89 Å²	89	41.7 Å²	41.7	58%	0.578	26%	0.257	S	S	*	.	H	α-helix	trans	-59.1	-40.1	176.3	-27	36.6	0	0	0	113.7	L101 I102 D103	P99-L101 VanDerWaalsContact C-N 3.32Å; P99-I102 PolarHBondContact O-N 2.79Å; P99-D103 PolarHBondContact O-N 2.83Å
100	E	92.5	Very high	90.2	Very high	91 Å²	91	41.7 Å²	41.7	43%	0.425	26%	0.257	S	S	.	.	H	α-helix	trans	-66.4	-38.4	176.5	-170.1	-168.7	151.7	0	0	110.9	T96 E97 M98 I102 D103 K104	T96-E100 HydrophobicContact CG2-CB 3.99Å; T96-E100 HydrophobicContact CG2-CG 4.09Å; E97-E100 PolarHBondContact O-N 2.89Å; E97-E100 VanDerWaalsContact O-N 3.12Å; M98-E100 VanDerWaalsContact C-N 3.33Å; M98-E100 PolarHBondContact O-N 3.38Å; E100-I102 VanDerWaalsContact C-N 3.34Å; E100-I102 PolarHBondContact O-N 2.88Å; E100-D103 PolarHBondContact O-N 2.99Å; E100-K104 WeakPolarHBondContact O-CG 3.46Å; E100-K104 PolarHBondContact O-N 2.88Å; E100-K104 WeakPolarHBondContact OE1-CE 3.27Å; E100-K104 IonicContact OE1-NZ 2.68Å; E100-K104 PolarHBondContact OE1-NZ 2.84Å
101	L	91.9	Very high	90.3	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-61.5	-43.9	175.8	-151.3	74.5	0	0	0	112.5	F76 P91 T96 E97 M98 P99 K104 L105	F76-L101 HydrophobicContact CD1-CD1 3.3Å; F76-L101 HydrophobicContact CD1-CD2 3.77Å; F76-L101 HydrophobicContact CD1-CG 3.77Å; F76-L101 HydrophobicContact CE1-CD1 3.38Å; F76-L101 HydrophobicContact CE1-CD2 3.86Å; F76-L101 HydrophobicContact CE1-CG 3.53Å; P91-L101 HydrophobicContact CB-CD2 3.61Å; P91-L101 HydrophobicContact CG-CD2 4.06Å; T96-L101 HydrophobicContact CG2-CD1 3.91Å; E97-L101 PolarHBondContact O-N 2.83Å; M98-L101 HydrophobicContact CE-CD2 4.45Å; M98-L101 VanDerWaalsContact O-CB 3.27Å; M98-L101 WeakPolarHBondContact O-CB 3.23Å; M98-L101 PolarHBondContact O-N 2.96Å; M98-L101 VanDerWaalsContact O-N 3.14Å; M98-L101 HydrophobicContact SD-CD2 4.22Å; P99-L101 VanDerWaalsContact C-N 3.32Å; L101-K104 PolarHBondContact O-N 2.89Å; L101-L105 WeakPolarHBondContact O-CG 3.48Å; L101-L105 PolarHBondContact O-N 3.14Å
102	I	93.6	Very high	90.5	Very high	10 Å²	10	47 Å²	47	5%	0.051	28%	0.281	C	S	.	.	H	α-helix	trans	-65.4	-43.6	179.4	-65.4	156.9	0	0	0	109.8	M98 P99 E100 L105 G106 L140 F141 Q144	M98-I102 HydrophobicContact CE-CD1 4.27Å; M98-I102 HydrophobicContact CE-CG1 4.34Å; M98-I102 WeakPolarHBondContact O-CD1 3.4Å; M98-I102 VanDerWaalsContact O-CG1 3.23Å; M98-I102 WeakPolarHBondContact O-CG1 3.43Å; M98-I102 PolarHBondContact O-N 3.41Å; P99-I102 PolarHBondContact O-N 2.79Å; E100-I102 VanDerWaalsContact C-N 3.34Å; E100-I102 PolarHBondContact O-N 2.88Å; I102-L105 PolarHBondContact O-N 3.24Å; I102-G106 PolarHBondContact O-N 2.9Å; I102-L140 HydrophobicContact CD1-CB 3.52Å; I102-F141 HydrophobicContact CB-CD1 4.44Å; I102-F141 HydrophobicContact CB-CE1 4.35Å; I102-F141 HydrophobicContact CG1-CD1 3.68Å; I102-F141 HydrophobicContact CG1-CE1 3.48Å; I102-F141 VanDerWaalsContact CG1-CE1 3.48Å; I102-F141 HydrophobicContact CG1-CE2 4.39Å; I102-F141 HydrophobicContact CG1-CG 4.23Å; I102-F141 HydrophobicContact CG1-CZ 3.89Å; I102-F141 HydrophobicContact CG2-CD1 4.25Å; I102-Q144 HydrophobicContact CG2-CB 3.69Å; I102-Q144 HydrophobicContact CG2-CG 3.62Å
103	D	94.3	Very high	91.1	Very high	75 Å²	75	46.7 Å²	46.7	40%	0.401	28%	0.278	S	S	.	.	H	α-helix	trans	-60.3	-45.4	174.7	174.1	71.7	0	0	0	112	P99 E100 L105 G106 K107	P99-D103 PolarHBondContact O-N 2.83Å; E100-D103 PolarHBondContact O-N 2.99Å; D103-L105 VanDerWaalsContact C-N 3.34Å; D103-L105 PolarHBondContact O-N 3.46Å; D103-G106 PolarHBondContact O-N 3.13Å; D103-K107 WeakPolarHBondContact O-CB 3.49Å; D103-K107 WeakPolarHBondContact O-CG 3.33Å; D103-K107 PolarHBondContact O-N 3.37Å; D103-K107 VanDerWaalsContact OD1-CE 3.24Å; D103-K107 WeakPolarHBondContact OD1-CE 3.35Å; D103-K107 IonicContact OD1-NZ 2.97Å; D103-K107 PolarHBondContact OD1-NZ 2.99Å; D103-K107 WeakPolarHBondContact OD2-CE 3.35Å; D103-K107 IonicContact OD2-NZ 3.89Å; D103-K107 PolarHBondContact OD2-NZ 3.29Å
104	K	94.7	Very high	92.3	Very high	42 Å²	42	44.3 Å²	44.3	18%	0.183	26%	0.258	C	S	.	.	H	α-helix	trans	-58.3	-44.8	175.4	-75.6	176.8	-178.3	168.8	0	111.9	I73 D74 E100 L101 A108	I73-K104 HydrophobicContact CG2-CB 3.85Å; D74-K104 WeakPolarHBondContact O-CD 3.46Å; D74-K104 IonicContact OD2-NZ 2.86Å; D74-K104 PolarHBondContact OD2-NZ 2.94Å; E100-K104 WeakPolarHBondContact O-CG 3.46Å; E100-K104 PolarHBondContact O-N 2.88Å; E100-K104 WeakPolarHBondContact OE1-CE 3.27Å; E100-K104 IonicContact OE1-NZ 2.68Å; E100-K104 PolarHBondContact OE1-NZ 2.84Å; L101-K104 PolarHBondContact O-N 2.89Å; K104-A108 WeakPolarHBondContact O-CB 3.3Å; K104-A108 PolarHBondContact O-N 3.48Å
105	L	95.2	Very high	93.3	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-65.3	-42.1	176.6	-78	163.4	0	0	0	112	I73 F76 L86 L101 I102 D103 A108 G109 I110 I113 F141	I73-L105 HydrophobicContact CD1-CD2 3.78Å; F76-L105 HydrophobicContact CE1-CD1 4.38Å; F76-L105 HydrophobicContact CE1-CG 4.43Å; F76-L105 HydrophobicContact CZ-CD1 4.22Å; F76-L105 HydrophobicContact CZ-CD2 3.82Å; F76-L105 HydrophobicContact CZ-CG 4.03Å; L86-L105 HydrophobicContact CD2-CD2 3.87Å; L101-L105 WeakPolarHBondContact O-CG 3.48Å; L101-L105 PolarHBondContact O-N 3.14Å; I102-L105 PolarHBondContact O-N 3.24Å; D103-L105 VanDerWaalsContact C-N 3.34Å; D103-L105 PolarHBondContact O-N 3.46Å; L105-A108 WeakPolarHBondContact O-CB 3.5Å; L105-A108 PolarHBondContact O-N 3.47Å; L105-G109 PolarHBondContact O-N 3.15Å; L105-I110 HydrophobicContact CB-CB 4.33Å; L105-I110 HydrophobicContact CB-CG1 4.43Å; L105-I110 HydrophobicContact CD2-CB 4.43Å; L105-I110 HydrophobicContact CD2-CG1 3.82Å; L105-I110 WeakPolarHBondContact O-CB 3.3Å; L105-I110 WeakPolarHBondContact O-CG1 3.29Å; L105-I110 PolarHBondContact O-N 3.32Å; L105-I113 HydrophobicContact CD1-CD1 4.37Å; L105-F141 HydrophobicContact CD1-CE1 3.62Å; L105-F141 HydrophobicContact CD1-CZ 4.25Å
106	G	94.6	Very high	94.3	Very high	35 Å²	35	39.2 Å²	39.2	36%	0.361	21%	0.211	S	C	.	.	H	α-helix	trans	-61.7	-45.9	176.2	0	0	0	0	0	112.4	I102 D103 A108 G109	I102-G106 PolarHBondContact O-N 2.9Å; D103-G106 PolarHBondContact O-N 3.13Å; G106-A108 PolarHBondContact O-N 3.38Å; G106-G109 WeakPolarHBondContact O-CA 3.26Å; G106-G109 PolarHBondContact O-N 3.02Å
107	K	95.3	Very high	95.1	Very high	160 Å²	160	39 Å²	39	70%	0.696	21%	0.209	S	C	*	.	H	α-helix	trans	-62.6	-30.8	174.3	-75.4	172.4	177.6	162.8	0	112.9	D103 G109	D103-K107 WeakPolarHBondContact O-CB 3.49Å; D103-K107 WeakPolarHBondContact O-CG 3.33Å; D103-K107 PolarHBondContact O-N 3.37Å; D103-K107 VanDerWaalsContact OD1-CE 3.24Å; D103-K107 WeakPolarHBondContact OD1-CE 3.35Å; D103-K107 IonicContact OD1-NZ 2.97Å; D103-K107 PolarHBondContact OD1-NZ 2.99Å; D103-K107 WeakPolarHBondContact OD2-CE 3.35Å; D103-K107 IonicContact OD2-NZ 3.89Å; D103-K107 PolarHBondContact OD2-NZ 3.29Å; K107-G109 PolarHBondContact O-N 2.94Å
108	A	96.1	Very high	95.5	Very high	28 Å²	28	36 Å²	36	23%	0.231	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-2.2	173.2	0	0	0	0	0	113.4	I73 W80 K104 L105 G106	I73-A108 HydrophobicContact CD1-CB 3.58Å; I73-A108 HydrophobicContact CG1-CB 4.41Å; W80-A108 HydrophobicContact CZ2-CB 4.19Å; K104-A108 WeakPolarHBondContact O-CB 3.3Å; K104-A108 PolarHBondContact O-N 3.48Å; L105-A108 WeakPolarHBondContact O-CB 3.5Å; L105-A108 PolarHBondContact O-N 3.47Å; G106-A108 PolarHBondContact O-N 3.38Å
109	G	96.8	Very high	95.7	Very high	25 Å²	25	38.3 Å²	38.3	26%	0.258	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.3	12.5	178.7	0	0	0	0	0	114.1	L105 G106 K107 K111 K180	L105-G109 PolarHBondContact O-N 3.15Å; G106-G109 WeakPolarHBondContact O-CA 3.26Å; G106-G109 PolarHBondContact O-N 3.02Å; K107-G109 PolarHBondContact O-N 2.94Å; G109-K111 PolarHBondContact O-N 3.07Å; G109-K180 WeakPolarHBondContact O-CB 3.35Å; G109-K180 PolarHBondContact O-N 2.78Å
110	I	97.9	Very high	95.8	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	127	176.8	-60.1	-63.4	0	0	0	109.5	W80 L86 L105 I113 V146 K180 A182	W80-I110 HydrophobicContact CH2-CD1 3.6Å; W80-I110 HydrophobicContact CH2-CG1 4.44Å; W80-I110 HydrophobicContact CZ3-CD1 4.11Å; L86-I110 HydrophobicContact CB-CD1 4.11Å; L105-I110 HydrophobicContact CB-CB 4.33Å; L105-I110 HydrophobicContact CB-CG1 4.43Å; L105-I110 HydrophobicContact CD2-CB 4.43Å; L105-I110 HydrophobicContact CD2-CG1 3.82Å; L105-I110 WeakPolarHBondContact O-CB 3.3Å; L105-I110 WeakPolarHBondContact O-CG1 3.29Å; L105-I110 PolarHBondContact O-N 3.32Å; I110-I113 HydrophobicContact CG2-CG1 4.19Å; I110-V146 HydrophobicContact CG2-CG1 4.25Å; I110-K180 CarbonylContact C-O 3.48Å; I110-K180 WeakPolarHBondContact CA-O 3.38Å; I110-K180 HydrophobicContact CD1-CB 3.83Å; I110-A182 HydrophobicContact CD1-CB 3.96Å; I110-A182 HydrophobicContact CG1-CB 4.39Å; I110-A182 HydrophobicContact CG2-CB 4Å
111	K	97.5	Very high	95.8	Very high	113 Å²	113	35 Å²	35	49%	0.491	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	-16.8	178	-67.4	-59	-174	-176.7	0	113.7	G109 A147 K180	G109-K111 PolarHBondContact O-N 3.07Å; K111-A147 PolarHBondContact O-N 2.93Å; K111-K180 PolarHBondContact N-O 3.23Å
112	A	98.2	Very high	95.8	Very high	3 Å²	3	35.2 Å²	35.2	3%	0.025	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	141.1	173.7	0	0	0	0	0	112.5	F114 A147 Y149 K180 I181 A182	A112-F114 HydrophobicContact CB-CE2 3.91Å; A112-A147 CarbonylContact C-O 3.57Å; A112-A147 VanDerWaalsContact CA-O 3.28Å; A112-A147 WeakPolarHBondContact CA-O 3.4Å; A112-A147 HydrophobicContact CB-CB 4.19Å; A112-Y149 HydrophobicContact CB-CD2 4.27Å; A112-Y149 HydrophobicContact CB-CE2 3.87Å; A112-K180 PolarHBondContact N-O 3.24Å; A112-I181 HydrophobicContact CB-CG2 4.06Å; A112-I181 CarbonylContact O-C 3.5Å; A112-I181 WeakPolarHBondContact O-CA 3.33Å; A112-A182 PolarHBondContact O-N 2.76Å
113	I	98.1	Very high	95.7	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	129.8	173.3	-65.1	178.7	0	0	0	109.6	F88 L105 I110 F141 V146 A147 Y149 A182	F88-I113 HydrophobicContact CE1-CG2 4.45Å; F88-I113 HydrophobicContact CZ-CG2 3.97Å; L105-I113 HydrophobicContact CD1-CD1 4.37Å; I110-I113 HydrophobicContact CG2-CG1 4.19Å; I113-F141 HydrophobicContact CD1-CB 4.48Å; I113-F141 HydrophobicContact CD1-CD1 3.22Å; I113-F141 HydrophobicContact CD1-CD2 4.25Å; I113-F141 HydrophobicContact CD1-CE1 3.29Å; I113-F141 HydrophobicContact CD1-CE2 4.29Å; I113-F141 HydrophobicContact CD1-CG 3.74Å; I113-F141 HydrophobicContact CD1-CZ 3.85Å; I113-V146 HydrophobicContact CD1-CG1 4.07Å; I113-V146 HydrophobicContact CG1-CG1 3.89Å; I113-A147 PolarHBondContact N-O 3.32Å; I113-Y149 PolarHBondContact O-N 2.78Å; I113-A182 CarbonylContact C-O 3.57Å; I113-A182 WeakPolarHBondContact CA-O 3.39Å; I113-A182 HydrophobicContact CG1-CB 4.32Å
114	F	98.5	Very high	95.5	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	104.9	175.1	-68.6	-103.6	0	0	0	109	A112 Y149 F151 I167 V170 M171 I181 A182 V183 H184	A112-F114 HydrophobicContact CB-CE2 3.91Å; F114-Y149 HydrophobicContact CD1-CD2 4.32Å; F114-Y149 HydrophobicContact CD2-CD2 4.42Å; F114-Y149 AromaticContact CE1-CD2 3.88Å; F114-Y149 HydrophobicContact CE1-CD2 3.88Å; F114-Y149 HydrophobicContact CE1-CG 4.28Å; F114-Y149 AromaticContact CE2-CD2 3.97Å; F114-Y149 HydrophobicContact CE2-CD2 3.97Å; F114-Y149 HydrophobicContact CE2-CE2 4.37Å; F114-Y149 AromaticContact CZ-CD2 3.67Å; F114-Y149 HydrophobicContact CZ-CD2 3.67Å; F114-Y149 HydrophobicContact CZ-CE2 4.01Å; F114-Y149 HydrophobicContact CZ-CG 4.49Å; F114-F151 AromaticContact CD1-CD2 3.86Å; F114-F151 HydrophobicContact CD1-CD2 3.86Å; F114-F151 HydrophobicContact CD1-CE2 4.02Å; F114-F151 HydrophobicContact CE1-CD2 4.3Å; F114-F151 AromaticContact CE1-CE2 3.98Å; F114-F151 HydrophobicContact CE1-CE2 3.98Å; F114-I167 HydrophobicContact CD1-CG2 4.31Å; F114-V170 HydrophobicContact CE1-CB 4.1Å; F114-V170 HydrophobicContact CE1-CG1 3.76Å; F114-V170 HydrophobicContact CZ-CB 4.49Å; F114-V170 HydrophobicContact CZ-CG1 3.91Å; F114-M171 HydrophobicContact CD1-CG 3.79Å; F114-M171 HydrophobicContact CD2-CG 4.29Å; F114-M171 HydrophobicContact CE1-CB 4.32Å; F114-M171 HydrophobicContact CE1-CG 3.44Å; F114-M171 VanDerWaalsContact CE1-CG 3.44Å; F114-M171 HydrophobicContact CE2-CG 3.99Å; F114-M171 HydrophobicContact CG-CG 4.22Å; F114-M171 HydrophobicContact CZ-CB 4.11Å; F114-M171 HydrophobicContact CZ-CG 3.57Å; F114-I181 HydrophobicContact CD2-CB 4.3Å; F114-I181 HydrophobicContact CD2-CD1 4.48Å; F114-I181 HydrophobicContact CE2-CB 4.03Å; F114-I181 HydrophobicContact CE2-CD1 4.16Å; F114-I181 HydrophobicContact CE2-CG2 4.06Å; F114-A182 PolarHBondContact N-O 3.39Å; F114-V183 HydrophobicContact CB-CB 4.4Å; F114-V183 HydrophobicContact CB-CG1 4.16Å; F114-V183 HydrophobicContact CB-CG2 4.16Å; F114-V183 HydrophobicContact CD2-CG2 4.48Å; F114-H184 PolarHBondContact O-N 2.72Å
115	N	98.1	Very high	95.4	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	114.6	175.4	177.6	17.2	0	0	0	110	Q117 F134 Y149 N150 F151 H184	N115-Q117 WeakPolarHBondContact OD1-CB 3.36Å; N115-Q117 VanDerWaalsContact OD1-CG 3.27Å; N115-Q117 WeakPolarHBondContact OD1-CG 3.45Å; N115-Q117 PolarHBondContact OD1-N 3.33Å; N115-F134 VanDerWaalsContact ND2-CE1 3.27Å; N115-F134 WeakPolarHBondContact ND2-CE1 3.47Å; N115-Y149 PolarHBondContact N-O 3.46Å; N115-N150 WeakPolarHBondContact CB-OD1 3.04Å; N115-N150 PolarHBondContact ND2-OD1 2.89Å; N115-F151 CarbonylContact O-C 3.53Å; N115-F151 PolarHBondContact O-N 2.59Å; N115-H184 WeakPolarHBondContact CB-NE2 3.39Å; N115-H184 PolarHBondContact OD1-CE1 3.47Å
116	L	97.7	Very high	95.1	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.2	C	C	.	.			trans	-95.4	7.3	-179	-47.8	175.4	0	0	0	112.7	F151 G152 W153 V183 H184 C185 R191	L116-F151 HydrophobicContact CD2-CB 4.31Å; L116-G152 WeakPolarHBondContact O-CA 3.09Å; L116-W153 HydrophobicContact CB-CE3 4.36Å; L116-W153 HydrophobicContact CB-CH2 4.02Å; L116-W153 HydrophobicContact CB-CZ3 3.78Å; L116-W153 HydrophobicContact CD1-CH2 3.8Å; L116-W153 HydrophobicContact CD1-CZ3 4.25Å; L116-W153 HydrophobicContact CD2-CH2 3.96Å; L116-W153 HydrophobicContact CD2-CZ3 3.61Å; L116-W153 HydrophobicContact CG-CH2 4.12Å; L116-W153 HydrophobicContact CG-CZ3 4.05Å; L116-W153 PolarHBondContact O-N 3.27Å; L116-V183 HydrophobicContact CD1-CG1 3.65Å; L116-V183 HydrophobicContact CD2-CG1 4.32Å; L116-V183 HydrophobicContact CG-CG1 4.08Å; L116-H184 WeakPolarHBondContact CB-O 3.48Å; L116-H184 VanDerWaalsContact CG-O 3.28Å; L116-H184 WeakPolarHBondContact CG-O 3.29Å; L116-H184 PolarHBondContact N-O 3.25Å; L116-C185 HydrophobicContact CB-CB 4.15Å; L116-R191 HydrophobicContact CB-CB 4.28Å; L116-R191 HydrophobicContact CD1-CB 3.95Å; L116-R191 PolarHBondContact O-NH1 3.43Å
117	Q	96.6	Very high	94.8	Very high	4 Å²	4	42 Å²	42	2%	0.019	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-84.3	145	-179.3	-55.6	-164.1	-100.9	0	0	112.1	R90 N115 E121 F134 G152 C185	R90-Q117 VanDerWaalsContact CB-OE1 3.28Å; N115-Q117 WeakPolarHBondContact OD1-CB 3.36Å; N115-Q117 VanDerWaalsContact OD1-CG 3.27Å; N115-Q117 WeakPolarHBondContact OD1-CG 3.45Å; N115-Q117 PolarHBondContact OD1-N 3.33Å; Q117-E121 HydrophobicContact CB-CG 4.1Å; Q117-E121 VanDerWaalsContact CB-OE1 3.27Å; Q117-E121 WeakPolarHBondContact CB-OE1 3.29Å; Q117-E121 WeakPolarHBondContact CG-OE1 3.41Å; Q117-E121 PolarHBondContact NE2-OE1 2.84Å; Q117-F134 HydrophobicContact CB-CE1 4.18Å; Q117-G152 VanDerWaalsContact O-CA 3.26Å; Q117-G152 WeakPolarHBondContact O-CA 3.39Å; Q117-C185 VanDerWaalsContact CG-C 3.46Å; Q117-C185 PolarHBondContact OE1-O 3.31Å
118	L	95.9	Very high	94.6	Very high	66 Å²	66	38.9 Å²	38.9	35%	0.346	21%	0.205	S	C	.	.	P	Polyproline II helix	trans	-82.4	151.7	160.6	-71.2	174.5	0	0	0	110	E121 P154	L118-E121 PolarHBondContact N-OE2 2.83Å; L118-E121 VanDerWaalsContact O-CG 3.24Å; L118-E121 WeakPolarHBondContact O-CG 3.39Å; L118-E121 PolarHBondContact O-N 3.28Å; L118-P154 HydrophobicContact CD1-CB 4.46Å; L118-P154 HydrophobicContact CD1-CG 3.9Å
119	P	94.9	Very high	94.4	Very high	63 Å²	63	39 Å²	39	41%	0.409	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	144.8	170	-24.3	33.4	0	0	0	111.8	E121 F134	P119-E121 PolarHBondContact O-N 3.2Å; P119-E121 VanDerWaalsContact O-N 3.16Å; P119-F134 HydrophobicContact CB-CZ 4.33Å; P119-F134 HydrophobicContact CG-CE1 4.49Å; P119-F134 HydrophobicContact CG-CE2 4.12Å; P119-F134 HydrophobicContact CG-CZ 3.75Å
120	F	93.6	Very high	94.3	Very high	97 Å²	97	40.2 Å²	40.2	43%	0.425	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.6	3.2	175.6	-51.9	-67.8	0	0	0	116.7	G133	F120-G133 VanDerWaalsContact CE1-CA 3.4Å; F120-G133 PolarHBondContact N-O 2.94Å
121	E	92.2	Very high	94.1	Very high	14 Å²	14	48.1 Å²	48.1	7%	0.065	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	151.8	171.5	77.3	175.8	-138.4	0	0	111.2	Q117 L118 P119 R123 R191	Q117-E121 HydrophobicContact CB-CG 4.1Å; Q117-E121 VanDerWaalsContact CB-OE1 3.27Å; Q117-E121 WeakPolarHBondContact CB-OE1 3.29Å; Q117-E121 WeakPolarHBondContact CG-OE1 3.41Å; Q117-E121 PolarHBondContact NE2-OE1 2.84Å; L118-E121 PolarHBondContact N-OE2 2.83Å; L118-E121 VanDerWaalsContact O-CG 3.24Å; L118-E121 WeakPolarHBondContact O-CG 3.39Å; L118-E121 PolarHBondContact O-N 3.28Å; P119-E121 PolarHBondContact O-N 3.2Å; P119-E121 VanDerWaalsContact O-N 3.16Å; E121-R123 PolarHBondContact O-N 3.37Å; E121-R123 VanDerWaalsContact O-N 3.13Å; E121-R191 IonicContact OE1-CZ 3.37Å; E121-R191 IonicContact OE1-NH1 3.77Å; E121-R191 PolarHBondContact OE1-NH1 3.39Å; E121-R191 IonicContact OE1-NH2 2.7Å; E121-R191 PolarHBondContact OE1-NH2 3.12Å; E121-R191 IonicContact OE2-CZ 3.89Å; E121-R191 IonicContact OE2-NH1 3.37Å; E121-R191 PolarHBondContact OE2-NH1 2.93Å; E121-R191 IonicContact OE2-NH2 3.89Å
122	H	92.5	Very high	93.9	Very high	4 Å²	4	48 Å²	48	2%	0.019	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	34.1	177.2	-69.9	-80.3	0	0	0	113.4	C49 R90 H124 C125 D155 H186	C49-H122 WeakPolarHBondContact CB-ND1 3.39Å; R90-H122 PolarHBondContact NH2-O 3.2Å; R90-H122 VanDerWaalsContact NH2-O 3.11Å; H122-H124 PolarHBondContact O-N 2.94Å; H122-C125 HydrophobicContact CB-CB 4Å; H122-C125 PolarHBondContact ND1-SG 3.47Å; H122-C125 VanDerWaalsContact ND1-SG 3.42Å; H122-C125 WeakPolarHBondContact O-CB 3.38Å; H122-C125 PolarHBondContact O-N 3.02Å; H122-D155 IonicContact CD2-OD2 3.04Å; H122-D155 IonicContact CE1-OD2 3.89Å; H122-D155 PolarHBondContact CE1-OD2 2.77Å; H122-D155 IonicContact NE2-OD2 3.84Å; H122-D155 PolarHBondContact NE2-OD2 3.03Å; H122-H186 AromaticContact CD2-CG 3.65Å; H122-H186 AromaticContact CE1-CD2 3.61Å; H122-H186 AromaticContact CE1-CG 3.86Å; H122-H186 AromaticContact CG-CD2 3.85Å; H122-H186 AromaticContact CG-CE1 3.95Å; H122-H186 AromaticContact CG-CG 3.55Å; H122-H186 AromaticContact CG-ND1 3.65Å; H122-H186 AromaticContact ND1-CD2 3.5Å; H122-H186 PolarHBondContact ND1-CD2 3.12Å; H122-H186 AromaticContact ND1-CE1 3.99Å; H122-H186 AromaticContact ND1-CG 3.71Å; H122-H186 AromaticContact ND1-NE2 3.72Å; H122-H186 AromaticContact NE2-CG 3.84Å
123	R	91.4	Very high	93.7	Very high	117 Å²	117	47.9 Å²	47.9	44%	0.442	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-17.3	-179.5	59.1	168.6	45.5	-120.8	-0.8	115.3	E121 L129	E121-R123 PolarHBondContact O-N 3.37Å; E121-R123 VanDerWaalsContact O-N 3.13Å; R123-L129 HydrophobicContact CB-CD1 3.63Å; R123-L129 HydrophobicContact CB-CG 4.26Å
124	H	90.1	Very high	93.6	Very high	59 Å²	59	49 Å²	49	27%	0.273	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-7.3	175.9	-62.3	-54.2	0	0	0	113	D46 R50 G55 R56 H122	D46-H124 IonicContact OD1-CD2 3.61Å; D46-H124 IonicContact OD1-NE2 3.17Å; D46-H124 IonicContact OD2-NE2 2.7Å; R50-H124 PolarHBondContact NH2-CE1 3.49Å; R50-H124 VanDerWaalsContact NH2-CE1 3.29Å; R50-H124 PolarHBondContact NH2-NE2 3.14Å; G55-H124 CarbonylContact C-O 3.52Å; G55-H124 WeakPolarHBondContact CA-O 3.28Å; R56-H124 PolarHBondContact N-O 3.39Å; R56-H124 VanDerWaalsContact N-O 3.09Å; H122-H124 PolarHBondContact O-N 2.94Å
125	C	91.9	Very high	93.4	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.252	C	S	.	.	S	Bend	trans	-94.2	122.4	-171.9	-70.3	0	0	0	0	109.3	C49 C53 G55 C58 R90 H122	C49-C125 WeakPolarHBondContact CB-SG 3.37Å; C49-C125 WeakPolarHBondContact SG-CB 3.22Å; C49-C125 CovalentContact SG-SG 2.1Å; C49-C125 PolarHBondContact SG-SG 2.9Å; C53-C125 WeakPolarHBondContact CB-SG 3.49Å; G55-C125 VanDerWaalsContact O-CA 3.32Å; G55-C125 WeakPolarHBondContact O-CA 3.01Å; C58-C125 HydrophobicContact CB-CB 4.18Å; R90-C125 PolarHBondContact NH2-O 3.05Å; H122-C125 HydrophobicContact CB-CB 4Å; H122-C125 PolarHBondContact ND1-SG 3.47Å; H122-C125 VanDerWaalsContact ND1-SG 3.42Å; H122-C125 WeakPolarHBondContact O-CB 3.38Å; H122-C125 PolarHBondContact O-N 3.02Å
126	G	88.6	Confident	93.2	Very high	14 Å²	14	50.2 Å²	50.2	14%	0.144	25%	0.253	C	S	.	.	S	Bend	trans	67.8	-143	-178.7	0	0	0	0	0	115	G55	G55-G126 PolarHBondContact O-N 3.18Å
127	Q	88.7	Confident	93	Very high	115 Å²	115	52.7 Å²	52.7	54%	0.537	27%	0.267	S	S	.	.	S	Bend	trans	-70.3	157.7	175.6	-68.7	-66.5	-7.8	0	0	111.8	V94	V94-Q127 HydrophobicContact CG2-CB 4.45Å; V94-Q127 HydrophobicContact CG2-CG 3.34Å
128	P	91.1	Very high	92.8	Very high	94 Å²	94	53.4 Å²	53.4	61%	0.61	27%	0.272	S	S	*	.	P	Polyproline II helix	trans	-52.1	146.6	170.5	-24.7	35	0	0	0	112.1
129	L	93.1	Very high	92.8	Very high	31 Å²	31	55.6 Å²	55.6	16%	0.162	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-72.3	156.6	173.5	-55.3	177.2	0	0	0	110.1	R123 F134	R123-L129 HydrophobicContact CB-CD1 3.63Å; R123-L129 HydrophobicContact CB-CG 4.26Å; L129-F134 CarbonylContact C-O 3.55Å; L129-F134 VanDerWaalsContact CA-O 3.31Å; L129-F134 WeakPolarHBondContact CA-O 3.49Å; L129-F134 WeakPolarHBondContact CB-O 3.1Å
130	T	93.6	Very high	92.8	Very high	49 Å²	49	55.2 Å²	55.2	30%	0.301	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-60.3	167.9	165.5	67.5	0	0	0	0	110.5	H132 G133 F134	T130-H132 PolarHBondContact O-N 3.21Å; T130-H132 PolarHBondContact OG1-N 2.79Å; T130-G133 PolarHBondContact O-N 3.44Å; T130-F134 PolarHBondContact N-O 3.17Å; T130-F134 PolarHBondContact OG1-N 3.11Å; T130-F134 PolarHBondContact OG1-O 3.47Å
131	E	94	Very high	92.8	Very high	166 Å²	166	50.6 Å²	50.6	78%	0.776	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-26	175.3	63.7	-171.3	164.2	0	0	113.3	G133	E131-G133 VanDerWaalsContact C-N 3.28Å; E131-G133 PolarHBondContact O-N 3.45Å
132	H	93.6	Very high	93	Very high	111 Å²	111	54.3 Å²	54.3	51%	0.514	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-2	175.4	-51.6	-50.5	0	0	0	113.8	T130	T130-H132 PolarHBondContact O-N 3.21Å; T130-H132 PolarHBondContact OG1-N 2.79Å
133	G	94.6	Very high	93.1	Very high	1 Å²	1	60.6 Å²	60.6	1%	0.01	30%	0.302	C	S	.	.	S	Bend	trans	84	19.7	174.4	0	0	0	0	0	115.3	F120 T130 E131	F120-G133 VanDerWaalsContact CE1-CA 3.4Å; F120-G133 PolarHBondContact N-O 2.94Å; T130-G133 PolarHBondContact O-N 3.44Å; E131-G133 VanDerWaalsContact C-N 3.28Å; E131-G133 PolarHBondContact O-N 3.45Å
134	F	95.2	Very high	93.2	Very high	22 Å²	22	61.4 Å²	61.4	10%	0.096	31%	0.311	C	S	.	.	S	Bend	trans	-115.9	166.8	172.2	-65.4	-67	0	0	0	111.3	N115 Q117 P119 L129 T130 Y136	N115-F134 VanDerWaalsContact ND2-CE1 3.27Å; N115-F134 WeakPolarHBondContact ND2-CE1 3.47Å; Q117-F134 HydrophobicContact CB-CE1 4.18Å; P119-F134 HydrophobicContact CB-CZ 4.33Å; P119-F134 HydrophobicContact CG-CE1 4.49Å; P119-F134 HydrophobicContact CG-CE2 4.12Å; P119-F134 HydrophobicContact CG-CZ 3.75Å; L129-F134 CarbonylContact C-O 3.55Å; L129-F134 VanDerWaalsContact CA-O 3.31Å; L129-F134 WeakPolarHBondContact CA-O 3.49Å; L129-F134 WeakPolarHBondContact CB-O 3.1Å; T130-F134 PolarHBondContact N-O 3.17Å; T130-F134 PolarHBondContact OG1-N 3.11Å; T130-F134 PolarHBondContact OG1-O 3.47Å; F134-Y136 VanDerWaalsContact C-N 3.27Å; F134-Y136 WeakPolarHBondContact CB-O 3.37Å
135	S	93.5	Very high	93.4	Very high	21 Å²	21	61.1 Å²	61.1	15%	0.147	32%	0.324	C	S	.	.	S	Bend	trans	-83.6	-4.8	179.2	54.2	0	0	0	0	113.9	R90 P91	R90-S135 VanDerWaalsContact CD-OG 3.29Å; R90-S135 WeakPolarHBondContact CD-OG 3.47Å; P91-S135 WeakPolarHBondContact O-CB 3.4Å; P91-S135 PolarHBondContact O-OG 3.07Å
136	Y	94	Very high	93.6	Very high	6 Å²	6	61.4 Å²	61.4	2%	0.024	33%	0.326	C	S	.	.	S	Bend	trans	-152	160.4	179	63.2	-88.7	0	0	0	108.3	P91 M98 F134 P138 F141 H148 H184	P91-Y136 HydrophobicContact CB-CD1 3.66Å; P91-Y136 HydrophobicContact CB-CE1 4.14Å; P91-Y136 HydrophobicContact CB-CG 4.04Å; P91-Y136 HydrophobicContact CG-CD1 3.94Å; P91-Y136 HydrophobicContact CG-CE1 3.88Å; P91-Y136 HydrophobicContact CG-CG 4.45Å; M98-Y136 HydrophobicContact CE-CG 4.35Å; F134-Y136 VanDerWaalsContact C-N 3.27Å; F134-Y136 WeakPolarHBondContact CB-O 3.37Å; Y136-P138 HydrophobicContact CE2-CB 4.32Å; Y136-F141 AromaticContact CD2-CD2 3.96Å; Y136-F141 HydrophobicContact CD2-CD2 3.96Å; Y136-F141 AromaticContact CD2-CE2 3.47Å; Y136-F141 HydrophobicContact CD2-CE2 3.47Å; Y136-F141 VanDerWaalsContact CD2-CE2 3.47Å; Y136-F141 AromaticContact CE2-CD2 3.84Å; Y136-F141 HydrophobicContact CE2-CD2 3.84Å; Y136-F141 AromaticContact CE2-CE2 3.51Å; Y136-F141 HydrophobicContact CE2-CE2 3.51Å; Y136-F141 HydrophobicContact CG-CE2 4.26Å; Y136-H148 AromaticContact CE2-NE2 3.51Å; Y136-H148 AromaticContact CZ-NE2 3.61Å; Y136-H148 PolarHBondContact OH-NE2 3.33Å; Y136-H184 AromaticContact CE1-CE1 3.84Å; Y136-H184 AromaticContact CE1-NE2 3.92Å; Y136-H184 AromaticContact CZ-NE2 3.71Å; Y136-H184 PolarHBondContact OH-CE1 3.17Å; Y136-H184 PolarHBondContact OH-NE2 2.89Å
137	D	93.4	Very high	94	Very high	52 Å²	52	62.4 Å²	62.4	28%	0.278	33%	0.333	S	S	.	.			trans	-85.3	117.9	170.4	-178.6	-1.5	0	0	0	109.5	E139 L140	D137-E139 PolarHBondContact O-N 2.82Å; D137-E139 WeakPolarHBondContact OD1-CB 3.44Å; D137-E139 PolarHBondContact OD1-N 3.48Å; D137-L140 HydrophobicContact CB-CD1 4.09Å; D137-L140 HydrophobicContact CB-CG 4.06Å; D137-L140 PolarHBondContact O-N 3.09Å
138	P	94	Very high	94.4	Very high	19 Å²	19	58 Å²	58	12%	0.123	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-23.4	177.8	28.1	-36.1	0	0	0	113.4	Y136 L140 F141 M142 H148	Y136-P138 HydrophobicContact CE2-CB 4.32Å; P138-L140 PolarHBondContact O-N 3.24Å; P138-F141 WeakPolarHBondContact O-CB 3.27Å; P138-F141 PolarHBondContact O-N 2.91Å; P138-F141 VanDerWaalsContact O-N 3.13Å; P138-M142 PolarHBondContact O-N 3.26Å; P138-H148 HydrophobicContact CB-CB 4.38Å
139	E	94.9	Very high	94.7	Very high	113 Å²	113	57.1 Å²	57.1	53%	0.528	30%	0.297	S	S	.	.	H	α-helix	trans	-61.5	-33.6	179.9	-63.7	-170	-179.4	0	0	112	D137 F141 M142 E143	D137-E139 PolarHBondContact O-N 2.82Å; D137-E139 WeakPolarHBondContact OD1-CB 3.44Å; D137-E139 PolarHBondContact OD1-N 3.48Å; E139-F141 PolarHBondContact O-N 3.34Å; E139-F141 VanDerWaalsContact O-N 3.14Å; E139-M142 HydrophobicContact CB-CE 4.18Å; E139-M142 HydrophobicContact CG-CE 3.68Å; E139-M142 PolarHBondContact O-N 2.99Å; E139-E143 WeakPolarHBondContact O-CG 3.47Å; E139-E143 PolarHBondContact O-N 3.45Å
140	L	94.3	Very high	94.9	Very high	54 Å²	54	59.7 Å²	59.7	28%	0.283	31%	0.311	S	S	.	.	H	α-helix	trans	-57	-33.3	176.2	-59	174.4	0	0	0	113	M98 I102 D137 P138	M98-L140 HydrophobicContact CB-CD1 4.08Å; M98-L140 HydrophobicContact CG-CD1 4.46Å; I102-L140 HydrophobicContact CD1-CB 3.52Å; D137-L140 HydrophobicContact CB-CD1 4.09Å; D137-L140 HydrophobicContact CB-CG 4.06Å; D137-L140 PolarHBondContact O-N 3.09Å; P138-L140 PolarHBondContact O-N 3.24Å
141	F	95.1	Very high	95	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-74.9	-42	174.8	-71.2	-81.5	0	0	0	111.5	P91 M98 I102 L105 I113 Y136 P138 E139 Q144 G145 V146	P91-F141 HydrophobicContact CG-CE2 4.44Å; P91-F141 HydrophobicContact CG-CZ 4.01Å; M98-F141 HydrophobicContact CE-CE2 3.56Å; M98-F141 HydrophobicContact CE-CZ 3.64Å; I102-F141 HydrophobicContact CB-CD1 4.44Å; I102-F141 HydrophobicContact CB-CE1 4.35Å; I102-F141 HydrophobicContact CG1-CD1 3.68Å; I102-F141 HydrophobicContact CG1-CE1 3.48Å; I102-F141 VanDerWaalsContact CG1-CE1 3.48Å; I102-F141 HydrophobicContact CG1-CE2 4.39Å; I102-F141 HydrophobicContact CG1-CG 4.23Å; I102-F141 HydrophobicContact CG1-CZ 3.89Å; I102-F141 HydrophobicContact CG2-CD1 4.25Å; L105-F141 HydrophobicContact CD1-CE1 3.62Å; L105-F141 HydrophobicContact CD1-CZ 4.25Å; I113-F141 HydrophobicContact CD1-CB 4.48Å; I113-F141 HydrophobicContact CD1-CD1 3.22Å; I113-F141 HydrophobicContact CD1-CD2 4.25Å; I113-F141 HydrophobicContact CD1-CE1 3.29Å; I113-F141 HydrophobicContact CD1-CE2 4.29Å; I113-F141 HydrophobicContact CD1-CG 3.74Å; I113-F141 HydrophobicContact CD1-CZ 3.85Å; Y136-F141 AromaticContact CD2-CD2 3.96Å; Y136-F141 HydrophobicContact CD2-CD2 3.96Å; Y136-F141 AromaticContact CD2-CE2 3.47Å; Y136-F141 HydrophobicContact CD2-CE2 3.47Å; Y136-F141 VanDerWaalsContact CD2-CE2 3.47Å; Y136-F141 AromaticContact CE2-CD2 3.84Å; Y136-F141 HydrophobicContact CE2-CD2 3.84Å; Y136-F141 AromaticContact CE2-CE2 3.51Å; Y136-F141 HydrophobicContact CE2-CE2 3.51Å; Y136-F141 HydrophobicContact CG-CE2 4.26Å; P138-F141 WeakPolarHBondContact O-CB 3.27Å; P138-F141 PolarHBondContact O-N 2.91Å; P138-F141 VanDerWaalsContact O-N 3.13Å; E139-F141 PolarHBondContact O-N 3.34Å; E139-F141 VanDerWaalsContact O-N 3.14Å; F141-Q144 PolarHBondContact O-N 2.96Å; F141-Q144 VanDerWaalsContact O-N 3.14Å; F141-G145 PolarHBondContact O-N 2.79Å; F141-V146 CarbonylContact C-O 3.34Å; F141-V146 HydrophobicContact CB-CB 4.17Å; F141-V146 HydrophobicContact CB-CG1 4.42Å; F141-V146 HydrophobicContact CD1-CG1 4.43Å; F141-V146 WeakPolarHBondContact O-CB 3.31Å; F141-V146 PolarHBondContact O-N 3.39Å
142	M	95.6	Very high	95.1	Very high	92 Å²	92	52.1 Å²	52.1	45%	0.453	28%	0.275	S	S	.	.	H	α-helix	trans	-66.8	-38	-177.4	-63.6	-172.6	-72.3	0	0	111.9	P138 E139 Q144 G145 V146 H148	P138-M142 PolarHBondContact O-N 3.26Å; E139-M142 HydrophobicContact CB-CE 4.18Å; E139-M142 HydrophobicContact CG-CE 3.68Å; E139-M142 PolarHBondContact O-N 2.99Å; M142-Q144 PolarHBondContact O-N 2.89Å; M142-G145 PolarHBondContact O-N 3.43Å; M142-V146 WeakPolarHBondContact CA-O 3.48Å; M142-V146 PolarHBondContact N-O 3.36Å; M142-H148 HydrophobicContact CG-CB 3.94Å; M142-H148 HydrophobicContact SD-CB 4.14Å
143	E	95.5	Very high	95.1	Very high	137 Å²	137	47.2 Å²	47.2	64%	0.64	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-27.9	173.4	-72.4	178.3	164.9	0	0	113	E139 G145	E139-E143 WeakPolarHBondContact O-CG 3.47Å; E139-E143 PolarHBondContact O-N 3.45Å; E143-G145 VanDerWaalsContact C-N 3.35Å
144	Q	93.3	Very high	94.9	Very high	133 Å²	133	50.9 Å²	50.9	62%	0.621	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	14.4	177.5	-58.7	-56.6	-47.7	0	0	112.9	I102 F141 M142 V146	I102-Q144 HydrophobicContact CG2-CB 3.69Å; I102-Q144 HydrophobicContact CG2-CG 3.62Å; F141-Q144 PolarHBondContact O-N 2.96Å; F141-Q144 VanDerWaalsContact O-N 3.14Å; M142-Q144 PolarHBondContact O-N 2.89Å; Q144-V146 VanDerWaalsContact C-N 3.31Å; Q144-V146 PolarHBondContact O-N 2.92Å
145	G	93.1	Very high	94.4	Very high	54 Å²	54	51.5 Å²	51.5	56%	0.557	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	72	22.7	178.4	0	0	0	0	0	114.1	F141 M142 E143	F141-G145 PolarHBondContact O-N 2.79Å; M142-G145 PolarHBondContact O-N 3.43Å; E143-G145 VanDerWaalsContact C-N 3.35Å
146	V	95.7	Very high	93.8	Very high	5 Å²	5	54.2 Å²	54.2	3%	0.03	29%	0.289	C	S	.	.			trans	-100.8	112.7	171.1	-178.5	0	0	0	0	108.4	I110 I113 F141 M142 Q144	I110-V146 HydrophobicContact CG2-CG1 4.25Å; I113-V146 HydrophobicContact CD1-CG1 4.07Å; I113-V146 HydrophobicContact CG1-CG1 3.89Å; F141-V146 CarbonylContact C-O 3.34Å; F141-V146 HydrophobicContact CB-CB 4.17Å; F141-V146 HydrophobicContact CB-CG1 4.42Å; F141-V146 HydrophobicContact CD1-CG1 4.43Å; F141-V146 WeakPolarHBondContact O-CB 3.31Å; F141-V146 PolarHBondContact O-N 3.39Å; M142-V146 WeakPolarHBondContact CA-O 3.48Å; M142-V146 PolarHBondContact N-O 3.36Å; Q144-V146 VanDerWaalsContact C-N 3.31Å; Q144-V146 PolarHBondContact O-N 2.92Å
147	A	97	Very high	93.3	Very high	36 Å²	36	55.2 Å²	55.2	30%	0.298	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	144.3	177.2	0	0	0	0	0	110.9	K111 A112 I113 Y149	K111-A147 PolarHBondContact O-N 2.93Å; A112-A147 CarbonylContact C-O 3.57Å; A112-A147 VanDerWaalsContact CA-O 3.28Å; A112-A147 WeakPolarHBondContact CA-O 3.4Å; A112-A147 HydrophobicContact CB-CB 4.19Å; I113-A147 PolarHBondContact N-O 3.32Å; A147-Y149 HydrophobicContact CB-CE2 4.03Å
148	H	97.3	Very high	92.7	Very high	22 Å²	22	58 Å²	58	10%	0.102	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	124.7	179.7	-165	-76.3	0	0	0	110.9	Y136 P138 M142 N150	Y136-H148 AromaticContact CE2-NE2 3.51Å; Y136-H148 AromaticContact CZ-NE2 3.61Å; Y136-H148 PolarHBondContact OH-NE2 3.33Å; P138-H148 HydrophobicContact CB-CB 4.38Å; M142-H148 HydrophobicContact CG-CB 3.94Å; M142-H148 HydrophobicContact SD-CB 4.14Å; H148-N150 PolarHBondContact CE1-OD1 3.47Å; H148-N150 VanDerWaalsContact CE1-OD1 3.23Å
149	Y	98	Very high	92.5	Very high	75 Å²	75	57.5 Å²	57.5	29%	0.294	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	118.5	-178.8	-59.9	-73.4	0	0	0	111.1	A112 I113 F114 N115 A147 F151 V170	A112-Y149 HydrophobicContact CB-CD2 4.27Å; A112-Y149 HydrophobicContact CB-CE2 3.87Å; I113-Y149 PolarHBondContact O-N 2.78Å; F114-Y149 HydrophobicContact CD1-CD2 4.32Å; F114-Y149 HydrophobicContact CD2-CD2 4.42Å; F114-Y149 AromaticContact CE1-CD2 3.88Å; F114-Y149 HydrophobicContact CE1-CD2 3.88Å; F114-Y149 HydrophobicContact CE1-CG 4.28Å; F114-Y149 AromaticContact CE2-CD2 3.97Å; F114-Y149 HydrophobicContact CE2-CD2 3.97Å; F114-Y149 HydrophobicContact CE2-CE2 4.37Å; F114-Y149 AromaticContact CZ-CD2 3.67Å; F114-Y149 HydrophobicContact CZ-CD2 3.67Å; F114-Y149 HydrophobicContact CZ-CE2 4.01Å; F114-Y149 HydrophobicContact CZ-CG 4.49Å; N115-Y149 PolarHBondContact N-O 3.46Å; A147-Y149 HydrophobicContact CB-CE2 4.03Å; Y149-F151 HydrophobicContact CD1-CE2 4.43Å; Y149-F151 HydrophobicContact CG-CE2 4.18Å; Y149-V170 HydrophobicContact CD1-CG1 4.01Å; Y149-V170 HydrophobicContact CD2-CG1 4.15Å; Y149-V170 HydrophobicContact CE1-CG1 3.82Å; Y149-V170 HydrophobicContact CE2-CG1 3.95Å; Y149-V170 HydrophobicContact CG-CG1 4.17Å
150	N	96.8	Very high	92.2	Very high	86 Å²	86	56.1 Å²	56.1	46%	0.46	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	101	174.5	-73.9	-43.2	0	0	0	111	N115 H148	N115-N150 WeakPolarHBondContact CB-OD1 3.04Å; N115-N150 PolarHBondContact ND2-OD1 2.89Å; H148-N150 PolarHBondContact CE1-OD1 3.47Å; H148-N150 VanDerWaalsContact CE1-OD1 3.23Å
151	F	97.1	Very high	91.7	Very high	45 Å²	45	54.9 Å²	54.9	20%	0.197	31%	0.306	C	S	.	.			trans	-115.3	52.5	176.7	-74.4	-68	0	0	0	111.4	F114 N115 L116 Y149 W153 I167 V170	F114-F151 AromaticContact CD1-CD2 3.86Å; F114-F151 HydrophobicContact CD1-CD2 3.86Å; F114-F151 HydrophobicContact CD1-CE2 4.02Å; F114-F151 HydrophobicContact CE1-CD2 4.3Å; F114-F151 AromaticContact CE1-CE2 3.98Å; F114-F151 HydrophobicContact CE1-CE2 3.98Å; N115-F151 CarbonylContact O-C 3.53Å; N115-F151 PolarHBondContact O-N 2.59Å; L116-F151 HydrophobicContact CD2-CB 4.31Å; Y149-F151 HydrophobicContact CD1-CE2 4.43Å; Y149-F151 HydrophobicContact CG-CE2 4.18Å; F151-W153 WeakPolarHBondContact O-CZ3 3.32Å; F151-I167 HydrophobicContact CB-CD1 3.83Å; F151-I167 HydrophobicContact CB-CG1 3.78Å; F151-I167 HydrophobicContact CD1-CD1 4.42Å; F151-I167 HydrophobicContact CD1-CG1 3.64Å; F151-I167 HydrophobicContact CD2-CG1 4.11Å; F151-I167 HydrophobicContact CD2-CG2 4.4Å; F151-I167 HydrophobicContact CE1-CG1 4.2Å; F151-I167 HydrophobicContact CG-CD1 4.23Å; F151-I167 HydrophobicContact CG-CG1 3.6Å; F151-V170 HydrophobicContact CE2-CB 4.23Å; F151-V170 HydrophobicContact CE2-CG1 4.2Å; F151-V170 HydrophobicContact CE2-CG2 4.5Å; F151-V170 HydrophobicContact CZ-CB 4.23Å; F151-V170 HydrophobicContact CZ-CG1 4.45Å; F151-V170 HydrophobicContact CZ-CG2 4.01Å
152	G	94.8	Very high	91.3	Very high	11 Å²	11	59.7 Å²	59.7	11%	0.113	33%	0.332	C	S	.	.			trans	-67.5	143.5	-174.6	0	0	0	0	0	115.6	L116 Q117 R163	L116-G152 WeakPolarHBondContact O-CA 3.09Å; Q117-G152 VanDerWaalsContact O-CA 3.26Å; Q117-G152 WeakPolarHBondContact O-CA 3.39Å; G152-R163 PolarHBondContact O-NH2 3.29Å
153	W	93.7	Very high	91.2	Very high	7 Å²	7	61.3 Å²	61.3	3%	0.027	33%	0.333	C	S	.	.			trans	-150.5	163.5	161.9	72.9	95.5	0	0	0	112	L116 F151 D155 G157 I159 I167 R191 T195	L116-W153 HydrophobicContact CB-CE3 4.36Å; L116-W153 HydrophobicContact CB-CH2 4.02Å; L116-W153 HydrophobicContact CB-CZ3 3.78Å; L116-W153 HydrophobicContact CD1-CH2 3.8Å; L116-W153 HydrophobicContact CD1-CZ3 4.25Å; L116-W153 HydrophobicContact CD2-CH2 3.96Å; L116-W153 HydrophobicContact CD2-CZ3 3.61Å; L116-W153 HydrophobicContact CG-CH2 4.12Å; L116-W153 HydrophobicContact CG-CZ3 4.05Å; L116-W153 PolarHBondContact O-N 3.27Å; F151-W153 WeakPolarHBondContact O-CZ3 3.32Å; W153-D155 PolarHBondContact O-N 3.19Å; W153-G157 PolarHBondContact NE1-O 2.96Å; W153-I159 HydrophobicContact CB-CG2 3.24Å; W153-I159 HydrophobicContact CD2-CD1 4.35Å; W153-I159 HydrophobicContact CD2-CG2 3.29Å; W153-I159 HydrophobicContact CE3-CD1 4.08Å; W153-I159 HydrophobicContact CE3-CG2 3.84Å; W153-I159 HydrophobicContact CG-CG2 3.02Å; W153-I159 HydrophobicContact CH2-CD1 4.28Å; W153-I159 HydrophobicContact CZ3-CD1 4.05Å; W153-I167 HydrophobicContact CZ3-CD1 3.81Å; W153-R191 HydrophobicContact CD2-CG 4.38Å; W153-R191 VanDerWaalsContact CE2-CD 3.49Å; W153-R191 VanDerWaalsContact CE2-CG 3.42Å; W153-R191 HydrophobicContact CH2-CB 3.89Å; W153-R191 HydrophobicContact CH2-CG 4.32Å; W153-R191 HydrophobicContact CZ2-CB 3.37Å; W153-R191 HydrophobicContact CZ2-CG 3.4Å; W153-R191 VanDerWaalsContact CZ2-CG 3.4Å; W153-R191 PolarHBondContact O-NH1 3.07Å; W153-T195 WeakPolarHBondContact CH2-OG1 3.34Å
154	P	90.5	Very high	91.1	Very high	78 Å²	78	54.8 Å²	54.8	51%	0.506	30%	0.302	S	S	.	.			trans	-54.7	135.3	-174.2	-27.4	36.3	0	0	0	113.1	L118 G157	L118-P154 HydrophobicContact CD1-CB 4.46Å; L118-P154 HydrophobicContact CD1-CG 3.9Å; P154-G157 WeakPolarHBondContact O-CA 3.22Å; P154-G157 PolarHBondContact O-N 3.48Å
155	D	85.2	Confident	91	Very high	36 Å²	36	49.1 Å²	49.1	19%	0.193	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	143.3	175.4	-158.6	31.9	0	0	0	111	H122 W153 G157 R191	H122-D155 IonicContact CD2-OD2 3.04Å; H122-D155 IonicContact CE1-OD2 3.89Å; H122-D155 PolarHBondContact CE1-OD2 2.77Å; H122-D155 IonicContact NE2-OD2 3.84Å; H122-D155 PolarHBondContact NE2-OD2 3.03Å; W153-D155 PolarHBondContact O-N 3.19Å; D155-G157 PolarHBondContact O-N 3.42Å; D155-R191 IonicContact OD1-CZ 2.65Å; D155-R191 IonicContact OD1-NE 2.79Å; D155-R191 PolarHBondContact OD1-NE 3.45Å; D155-R191 IonicContact OD1-NH2 3.42Å; D155-R191 PolarHBondContact OD1-NH2 2.99Å; D155-R191 IonicContact OD2-NH2 2.77Å
156	F	80.8	Confident	91.1	Very high	78 Å²	78	50.6 Å²	50.6	34%	0.342	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.5	2.8	-169.8	-47	-82.5	0	0	0	115.8	L40 L48 F52	L40-F156 HydrophobicContact CD1-CD1 4.44Å; L40-F156 HydrophobicContact CD2-CB 3.63Å; L40-F156 HydrophobicContact CD2-CD1 3.65Å; L40-F156 HydrophobicContact CD2-CD2 3.74Å; L40-F156 HydrophobicContact CD2-CE1 4.22Å; L40-F156 HydrophobicContact CD2-CE2 4.3Å; L40-F156 HydrophobicContact CD2-CG 3.37Å; L48-F156 HydrophobicContact CB-CE2 4.1Å; L48-F156 HydrophobicContact CD1-CD2 4.07Å; L48-F156 HydrophobicContact CD1-CE2 4.36Å; F52-F156 AromaticContact CD2-CZ 3.93Å; F52-F156 HydrophobicContact CD2-CZ 3.93Å; F52-F156 HydrophobicContact CG-CZ 4.41Å
157	G	82.8	Confident	91.1	Very high	26 Å²	26	50.5 Å²	50.5	27%	0.268	27%	0.271	S	S	.	.			trans	-88.9	169.5	176.1	0	0	0	0	0	113.9	W153 P154 D155	W153-G157 PolarHBondContact NE1-O 2.96Å; P154-G157 WeakPolarHBondContact O-CA 3.22Å; P154-G157 PolarHBondContact O-N 3.48Å; D155-G157 PolarHBondContact O-N 3.42Å
158	I	82.7	Confident	91.1	Very high	111 Å²	111	48.8 Å²	48.8	57%	0.569	26%	0.256	S	S	*	.			trans	-107	153.6	170.5	60.9	173.8	0	0	0	109.8	M194 Y230	I158-M194 HydrophobicContact CG2-CE 4.42Å; I158-Y230 HydrophobicContact CB-CD2 4.46Å
159	I	89.8	Confident	91	Very high	9 Å²	9	52.8 Å²	52.8	5%	0.046	27%	0.273	C	S	.	.			trans	-112.4	150.3	175.2	61.4	-178.8	0	0	0	111.8	W153 R163 I164 I167 Y230	W153-I159 HydrophobicContact CB-CG2 3.24Å; W153-I159 HydrophobicContact CD2-CD1 4.35Å; W153-I159 HydrophobicContact CD2-CG2 3.29Å; W153-I159 HydrophobicContact CE3-CD1 4.08Å; W153-I159 HydrophobicContact CE3-CG2 3.84Å; W153-I159 HydrophobicContact CG-CG2 3.02Å; W153-I159 HydrophobicContact CH2-CD1 4.28Å; W153-I159 HydrophobicContact CZ3-CD1 4.05Å; I159-R163 HydrophobicContact CB-CB 4.29Å; I159-R163 HydrophobicContact CD1-CB 4.16Å; I159-R163 HydrophobicContact CG1-CB 4.44Å; I159-I164 HydrophobicContact CD1-CB 3.79Å; I159-I164 HydrophobicContact CD1-CD1 3.93Å; I159-I164 HydrophobicContact CD1-CG1 4.43Å; I159-I164 HydrophobicContact CG1-CB 4.09Å; I159-I167 HydrophobicContact CD1-CD1 3.75Å; I159-Y230 WeakPolarHBondContact CG1-OH 3.27Å; I159-Y230 WeakPolarHBondContact O-CE2 3.24Å; I159-Y230 VanDerWaalsContact O-CZ 3.26Å; I159-Y230 PolarHBondContact O-OH 3.4Å
160	P	86.9	Confident	91	Very high	83 Å²	83	51 Å²	51	54%	0.539	27%	0.271	S	S	.	.			trans	-53.6	148.1	171.1	-29.1	37.9	0	0	0	113.1	N162 R163 I164	P160-N162 VanDerWaalsContact C-N 3.31Å; P160-N162 WeakPolarHBondContact CB-OD1 3.44Å; P160-N162 PolarHBondContact O-N 2.93Å; P160-R163 HydrophobicContact CB-CG 4.36Å; P160-R163 WeakPolarHBondContact O-CB 3.37Å; P160-R163 PolarHBondContact O-N 3.49Å; P160-I164 PolarHBondContact O-N 3Å
161	V	84.5	Confident	91.1	Very high	29 Å²	29	47 Å²	47	18%	0.176	25%	0.249	C	C	.	.	H	α-helix	trans	-54.6	-43.8	-177.5	172.3	0	0	0	0	112.8	R163 I164 L165 S233 L234 I237	V161-R163 PolarHBondContact O-N 3.25Å; V161-I164 WeakPolarHBondContact O-CG2 3.15Å; V161-I164 PolarHBondContact O-N 3.45Å; V161-L165 HydrophobicContact CG1-CD1 3.76Å; V161-L165 HydrophobicContact CG1-CG 4.35Å; V161-L165 VanDerWaalsContact O-CG 3.28Å; V161-L165 WeakPolarHBondContact O-CG 3.19Å; V161-L165 PolarHBondContact O-N 3.22Å; V161-S233 WeakPolarHBondContact CG2-OG 3.27Å; V161-L234 HydrophobicContact CB-CD2 3.64Å; V161-L234 HydrophobicContact CG1-CD2 3.26Å; V161-L234 HydrophobicContact CG2-CD2 3.45Å; V161-L234 VanDerWaalsContact CG2-CD2 3.45Å; V161-I237 HydrophobicContact CG1-CD1 3.39Å
162	N	87.2	Confident	91.1	Very high	100 Å²	100	47 Å²	47	54%	0.535	25%	0.249	S	C	.	.	H	α-helix	trans	-61.3	-32.6	177.5	64	-31.6	0	0	0	112.9	P160 N166	P160-N162 VanDerWaalsContact C-N 3.31Å; P160-N162 WeakPolarHBondContact CB-OD1 3.44Å; P160-N162 PolarHBondContact O-N 2.93Å; N162-N166 VanDerWaalsContact O-CG 3.29Å; N162-N166 PolarHBondContact O-N 3.21Å; N162-N166 VanDerWaalsContact O-N 3.15Å; N162-N166 PolarHBondContact O-OD1 2.85Å
163	R	92.9	Very high	91.3	Very high	127 Å²	127	51.7 Å²	51.7	48%	0.479	27%	0.268	S	S	.	.	H	α-helix	trans	-71.1	-44.6	177.9	-69.2	-87	-76.4	-167.6	-1.8	110.9	G152 I159 P160 V161 L165 N166 I167	G152-R163 PolarHBondContact O-NH2 3.29Å; I159-R163 HydrophobicContact CB-CB 4.29Å; I159-R163 HydrophobicContact CD1-CB 4.16Å; I159-R163 HydrophobicContact CG1-CB 4.44Å; P160-R163 HydrophobicContact CB-CG 4.36Å; P160-R163 WeakPolarHBondContact O-CB 3.37Å; P160-R163 PolarHBondContact O-N 3.49Å; V161-R163 PolarHBondContact O-N 3.25Å; R163-L165 VanDerWaalsContact C-N 3.29Å; R163-L165 PolarHBondContact O-N 2.91Å; R163-N166 PolarHBondContact O-N 2.86Å; R163-I167 WeakPolarHBondContact O-CG1 3.1Å; R163-I167 PolarHBondContact O-N 3.2Å
164	I	92.4	Very high	91.4	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-64.6	-36.8	176.5	-167.2	64.1	0	0	0	111.5	I159 P160 V161 N166 I167 V168 T195 C198 Y230 L234	I159-I164 HydrophobicContact CD1-CB 3.79Å; I159-I164 HydrophobicContact CD1-CD1 3.93Å; I159-I164 HydrophobicContact CD1-CG1 4.43Å; I159-I164 HydrophobicContact CG1-CB 4.09Å; P160-I164 PolarHBondContact O-N 3Å; V161-I164 WeakPolarHBondContact O-CG2 3.15Å; V161-I164 PolarHBondContact O-N 3.45Å; I164-N166 VanDerWaalsContact C-N 3.33Å; I164-N166 PolarHBondContact O-N 3.33Å; I164-I167 HydrophobicContact CD1-CD1 4.22Å; I164-I167 WeakPolarHBondContact O-CB 2.86Å; I164-I167 PolarHBondContact O-N 2.77Å; I164-I167 VanDerWaalsContact O-N 3.13Å; I164-V168 HydrophobicContact CG1-CG1 4.38Å; I164-V168 PolarHBondContact O-N 3.21Å; I164-T195 HydrophobicContact CD1-CG2 4.46Å; I164-C198 HydrophobicContact CD1-CB 4.19Å; I164-C198 HydrophobicContact CG1-CB 3.7Å; I164-Y230 WeakPolarHBondContact CB-OH 3.28Å; I164-Y230 HydrophobicContact CG2-CE1 4.49Å; I164-Y230 VanDerWaalsContact CG2-OH 3.28Å; I164-Y230 WeakPolarHBondContact CG2-OH 3.36Å; I164-L234 HydrophobicContact CG2-CD1 4.23Å; I164-L234 HydrophobicContact CG2-CD2 3.65Å
165	L	91.7	Very high	91.8	Very high	13 Å²	13	49.7 Å²	49.7	7%	0.068	26%	0.255	C	S	.	.	H	α-helix	trans	-61.3	-39.8	176.2	-73.6	167.1	0	0	0	112.6	V161 R163 I167 V168 K169 W202 I237 F238	V161-L165 HydrophobicContact CG1-CD1 3.76Å; V161-L165 HydrophobicContact CG1-CG 4.35Å; V161-L165 VanDerWaalsContact O-CG 3.28Å; V161-L165 WeakPolarHBondContact O-CG 3.19Å; V161-L165 PolarHBondContact O-N 3.22Å; R163-L165 VanDerWaalsContact C-N 3.29Å; R163-L165 PolarHBondContact O-N 2.91Å; L165-I167 VanDerWaalsContact C-N 3.33Å; L165-V168 HydrophobicContact CD2-CG2 4.5Å; L165-V168 WeakPolarHBondContact O-CG2 3.35Å; L165-K169 WeakPolarHBondContact O-CB 3.45Å; L165-K169 VanDerWaalsContact O-CG 3.24Å; L165-K169 WeakPolarHBondContact O-CG 3.19Å; L165-K169 PolarHBondContact O-N 3.13Å; L165-W202 HydrophobicContact CD2-CE3 4.04Å; L165-W202 HydrophobicContact CD2-CZ3 4.06Å; L165-I237 HydrophobicContact CD1-CB 4.09Å; L165-I237 HydrophobicContact CD1-CD1 3.98Å; L165-I237 HydrophobicContact CD1-CG2 3.34Å; L165-I237 HydrophobicContact CD2-CG2 4.08Å; L165-I237 HydrophobicContact CG-CG2 4.36Å; L165-F238 HydrophobicContact CD2-CD1 4.33Å; L165-F238 HydrophobicContact CD2-CE1 3.61Å; L165-F238 HydrophobicContact CD2-CZ 3.88Å
166	N	95.1	Very high	92.4	Very high	85 Å²	85	54.1 Å²	54.1	46%	0.455	27%	0.274	S	S	.	.	H	α-helix	trans	-62.2	-43.2	174.2	-69.7	-13	0	0	0	111.3	N162 R163 I164 K169 V170	N162-N166 VanDerWaalsContact O-CG 3.29Å; N162-N166 PolarHBondContact O-N 3.21Å; N162-N166 VanDerWaalsContact O-N 3.15Å; N162-N166 PolarHBondContact O-OD1 2.85Å; R163-N166 PolarHBondContact O-N 2.86Å; I164-N166 VanDerWaalsContact C-N 3.33Å; I164-N166 PolarHBondContact O-N 3.33Å; N166-K169 PolarHBondContact O-N 3.36Å; N166-V170 WeakPolarHBondContact O-CG2 3.34Å; N166-V170 PolarHBondContact O-N 2.67Å; N166-V170 VanDerWaalsContact O-N 3.09Å
167	I	97.2	Very high	93	Very high	3 Å²	3	54.2 Å²	54.2	2%	0.015	28%	0.284	C	S	.	.	H	α-helix	trans	-61.5	-53.1	179.1	-60.2	168.8	0	0	0	110.3	F114 F151 W153 I159 R163 I164 L165 K169 V170 M171 T195	F114-I167 HydrophobicContact CD1-CG2 4.31Å; F151-I167 HydrophobicContact CB-CD1 3.83Å; F151-I167 HydrophobicContact CB-CG1 3.78Å; F151-I167 HydrophobicContact CD1-CD1 4.42Å; F151-I167 HydrophobicContact CD1-CG1 3.64Å; F151-I167 HydrophobicContact CD2-CG1 4.11Å; F151-I167 HydrophobicContact CD2-CG2 4.4Å; F151-I167 HydrophobicContact CE1-CG1 4.2Å; F151-I167 HydrophobicContact CG-CD1 4.23Å; F151-I167 HydrophobicContact CG-CG1 3.6Å; W153-I167 HydrophobicContact CZ3-CD1 3.81Å; I159-I167 HydrophobicContact CD1-CD1 3.75Å; R163-I167 WeakPolarHBondContact O-CG1 3.1Å; R163-I167 PolarHBondContact O-N 3.2Å; I164-I167 HydrophobicContact CD1-CD1 4.22Å; I164-I167 WeakPolarHBondContact O-CB 2.86Å; I164-I167 PolarHBondContact O-N 2.77Å; I164-I167 VanDerWaalsContact O-N 3.13Å; L165-I167 VanDerWaalsContact C-N 3.33Å; I167-K169 VanDerWaalsContact C-N 3.28Å; I167-K169 PolarHBondContact O-N 3.47Å; I167-V170 PolarHBondContact O-N 3.19Å; I167-V170 VanDerWaalsContact O-N 3.14Å; I167-M171 HydrophobicContact CG2-CG 4.34Å; I167-M171 HydrophobicContact CG2-SD 3.94Å; I167-M171 WeakPolarHBondContact O-CG 3.44Å; I167-M171 PolarHBondContact O-N 3.1Å; I167-T195 HydrophobicContact CG2-CG2 3.69Å
168	V	96	Very high	93.4	Very high	0 Å²	0	55 Å²	55	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-66.3	-29.9	-176.2	-57.5	0	0	0	0	112.5	I164 L165 Q172 C198 F199 W202	I164-V168 HydrophobicContact CG1-CG1 4.38Å; I164-V168 PolarHBondContact O-N 3.21Å; L165-V168 HydrophobicContact CD2-CG2 4.5Å; L165-V168 WeakPolarHBondContact O-CG2 3.35Å; V168-Q172 WeakPolarHBondContact O-CB 3.32Å; V168-Q172 PolarHBondContact O-N 3.08Å; V168-C198 HydrophobicContact CG1-CB 3.99Å; V168-F199 HydrophobicContact CB-CB 4.45Å; V168-F199 HydrophobicContact CB-CD2 4.29Å; V168-F199 HydrophobicContact CG1-CB 4.06Å; V168-W202 HydrophobicContact CB-CB 4.32Å; V168-W202 HydrophobicContact CB-CG 4.28Å; V168-W202 HydrophobicContact CG2-CB 4.03Å; V168-W202 HydrophobicContact CG2-CD2 4Å; V168-W202 HydrophobicContact CG2-CG 3.79Å
169	K	96.2	Very high	93.9	Very high	106 Å²	106	51.4 Å²	51.4	46%	0.461	28%	0.283	S	S	.	.	H	α-helix	trans	-66.2	-43.8	172.2	-78	176	177.6	-176.5	0	112	L165 N166 I167 Q172 H173 W202	L165-K169 WeakPolarHBondContact O-CB 3.45Å; L165-K169 VanDerWaalsContact O-CG 3.24Å; L165-K169 WeakPolarHBondContact O-CG 3.19Å; L165-K169 PolarHBondContact O-N 3.13Å; N166-K169 PolarHBondContact O-N 3.36Å; I167-K169 VanDerWaalsContact C-N 3.28Å; I167-K169 PolarHBondContact O-N 3.47Å; K169-Q172 PolarHBondContact O-N 3.09Å; K169-H173 PolarHBondContact O-N 2.71Å; K169-W202 HydrophobicContact CD-CH2 4.35Å; K169-W202 HydrophobicContact CD-CZ2 4.25Å; K169-W202 HydrophobicContact CG-CH2 4.06Å; K169-W202 HydrophobicContact CG-CZ2 3.52Å
170	V	97.9	Very high	94.4	Very high	39 Å²	39	53.9 Å²	53.9	24%	0.236	29%	0.294	C	S	.	.	H	α-helix	trans	-68.6	-37.2	176.8	177.7	0	0	0	0	111.1	F114 Y149 F151 N166 I167 H173 S174	F114-V170 HydrophobicContact CE1-CB 4.1Å; F114-V170 HydrophobicContact CE1-CG1 3.76Å; F114-V170 HydrophobicContact CZ-CB 4.49Å; F114-V170 HydrophobicContact CZ-CG1 3.91Å; Y149-V170 HydrophobicContact CD1-CG1 4.01Å; Y149-V170 HydrophobicContact CD2-CG1 4.15Å; Y149-V170 HydrophobicContact CE1-CG1 3.82Å; Y149-V170 HydrophobicContact CE2-CG1 3.95Å; Y149-V170 HydrophobicContact CG-CG1 4.17Å; F151-V170 HydrophobicContact CE2-CB 4.23Å; F151-V170 HydrophobicContact CE2-CG1 4.2Å; F151-V170 HydrophobicContact CE2-CG2 4.5Å; F151-V170 HydrophobicContact CZ-CB 4.23Å; F151-V170 HydrophobicContact CZ-CG1 4.45Å; F151-V170 HydrophobicContact CZ-CG2 4.01Å; N166-V170 WeakPolarHBondContact O-CG2 3.34Å; N166-V170 PolarHBondContact O-N 2.67Å; N166-V170 VanDerWaalsContact O-N 3.09Å; I167-V170 PolarHBondContact O-N 3.19Å; I167-V170 VanDerWaalsContact O-N 3.14Å; V170-H173 PolarHBondContact O-N 3.14Å; V170-S174 WeakPolarHBondContact O-CB 3.39Å; V170-S174 PolarHBondContact O-N 3.1Å; V170-S174 PolarHBondContact O-OG 2.83Å
171	M	98.4	Very high	94.9	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-59.7	-47.5	171.3	-69.4	173.4	68.1	0	0	111.7	I85 F114 I167 H173 S174 L175 I181 V183 T195 F199	I85-M171 HydrophobicContact CD1-CE 4.48Å; F114-M171 HydrophobicContact CD1-CG 3.79Å; F114-M171 HydrophobicContact CD2-CG 4.29Å; F114-M171 HydrophobicContact CE1-CB 4.32Å; F114-M171 HydrophobicContact CE1-CG 3.44Å; F114-M171 VanDerWaalsContact CE1-CG 3.44Å; F114-M171 HydrophobicContact CE2-CG 3.99Å; F114-M171 HydrophobicContact CG-CG 4.22Å; F114-M171 HydrophobicContact CZ-CB 4.11Å; F114-M171 HydrophobicContact CZ-CG 3.57Å; I167-M171 HydrophobicContact CG2-CG 4.34Å; I167-M171 HydrophobicContact CG2-SD 3.94Å; I167-M171 WeakPolarHBondContact O-CG 3.44Å; I167-M171 PolarHBondContact O-N 3.1Å; M171-H173 PolarHBondContact O-N 3.11Å; M171-S174 PolarHBondContact O-N 3.21Å; M171-L175 WeakPolarHBondContact O-CG 3.21Å; M171-L175 PolarHBondContact O-N 3.13Å; M171-I181 HydrophobicContact CB-CD1 3.81Å; M171-I181 HydrophobicContact CE-CD1 3.55Å; M171-I181 HydrophobicContact CG-CD1 3.9Å; M171-V183 HydrophobicContact CE-CG2 3.9Å; M171-T195 HydrophobicContact CE-CG2 4.25Å; M171-T195 HydrophobicContact SD-CG2 3.44Å; M171-T195 WeakPolarHBondContact SD-CG2 3.38Å; M171-F199 HydrophobicContact CB-CD2 3.77Å; M171-F199 HydrophobicContact CB-CE2 4.02Å; M171-F199 HydrophobicContact CE-CB 3.77Å; M171-F199 HydrophobicContact CE-CD1 4.43Å; M171-F199 HydrophobicContact CE-CD2 4.08Å; M171-F199 HydrophobicContact CE-CG 3.8Å; M171-F199 HydrophobicContact SD-CB 4.22Å; M171-F199 HydrophobicContact SD-CD2 4.39Å; M171-F199 HydrophobicContact SD-CG 4.49Å
172	Q	97.5	Very high	95.6	Very high	45 Å²	45	48.6 Å²	48.6	21%	0.21	26%	0.26	C	S	.	.	H	α-helix	trans	-57.2	-50.9	177.4	-177.4	67.2	31.5	0	0	110.7	V168 K169 S174 L175 E176 F199	V168-Q172 WeakPolarHBondContact O-CB 3.32Å; V168-Q172 PolarHBondContact O-N 3.08Å; K169-Q172 PolarHBondContact O-N 3.09Å; Q172-S174 VanDerWaalsContact C-N 3.32Å; Q172-S174 PolarHBondContact O-N 2.91Å; Q172-L175 PolarHBondContact O-N 2.85Å; Q172-E176 HydrophobicContact CG-CG 4.46Å; Q172-E176 WeakPolarHBondContact CG-OE1 3.48Å; Q172-E176 PolarHBondContact NE2-OE1 3.13Å; Q172-E176 WeakPolarHBondContact O-CG 3.21Å; Q172-E176 PolarHBondContact O-N 3.18Å; Q172-F199 HydrophobicContact CB-CE2 4.02Å
173	H	97.3	Very high	96.1	Very high	110 Å²	110	43.8 Å²	43.8	51%	0.509	23%	0.234	S	C	.	.	H	α-helix	trans	-61.5	-39.4	179.1	-179.8	62.4	0	0	0	112.8	K169 V170 M171 L175 E176 S177	K169-H173 PolarHBondContact O-N 2.71Å; V170-H173 PolarHBondContact O-N 3.14Å; M171-H173 PolarHBondContact O-N 3.11Å; H173-L175 VanDerWaalsContact C-N 3.32Å; H173-L175 PolarHBondContact O-N 3.39Å; H173-E176 PolarHBondContact O-N 3.49Å; H173-S177 WeakPolarHBondContact O-CB 3.42Å; H173-S177 PolarHBondContact O-N 3.16Å; H173-S177 PolarHBondContact O-OG 2.7Å
174	S	97.4	Very high	96.3	Very high	11 Å²	11	37.8 Å²	37.8	8%	0.077	21%	0.212	C	C	.	.	H	α-helix	trans	-63.9	-38.4	177.9	-59.3	0	0	0	0	111.8	V170 M171 Q172	V170-S174 WeakPolarHBondContact O-CB 3.39Å; V170-S174 PolarHBondContact O-N 3.1Å; V170-S174 PolarHBondContact O-OG 2.83Å; M171-S174 PolarHBondContact O-N 3.21Å; Q172-S174 VanDerWaalsContact C-N 3.32Å; Q172-S174 PolarHBondContact O-N 2.91Å
175	L	97.9	Very high	96.4	Very high	32 Å²	32	38 Å²	38	17%	0.168	21%	0.213	C	C	.	.	H	α-helix	trans	-71.9	-41	175.7	-72.3	165.9	0	0	0	112	D84 I85 M171 Q172 H173 S177 G178 I181 F199	D84-L175 HydrophobicContact CB-CD2 3.59Å; I85-L175 HydrophobicContact CD1-CD1 4.18Å; I85-L175 HydrophobicContact CG1-CD1 4.21Å; M171-L175 WeakPolarHBondContact O-CG 3.21Å; M171-L175 PolarHBondContact O-N 3.13Å; Q172-L175 PolarHBondContact O-N 2.85Å; H173-L175 VanDerWaalsContact C-N 3.32Å; H173-L175 PolarHBondContact O-N 3.39Å; L175-S177 VanDerWaalsContact C-N 3.26Å; L175-S177 PolarHBondContact O-N 2.8Å; L175-G178 PolarHBondContact O-N 3.17Å; L175-G178 VanDerWaalsContact O-N 3.1Å; L175-I181 HydrophobicContact CD1-CD1 3.92Å; L175-I181 HydrophobicContact CD1-CG1 4.44Å; L175-I181 HydrophobicContact CD2-CD1 4.41Å; L175-I181 HydrophobicContact CD2-CG1 4.08Å; L175-I181 HydrophobicContact CD2-CG2 3.99Å; L175-I181 HydrophobicContact CG-CD1 4.05Å; L175-I181 HydrophobicContact CG-CG1 4.25Å; L175-I181 HydrophobicContact CG-CG2 4.01Å; L175-F199 HydrophobicContact CD1-CE1 3.85Å; L175-F199 HydrophobicContact CD1-CE2 4Å; L175-F199 HydrophobicContact CD1-CZ 3.34Å
176	E	97.2	Very high	96.6	Very high	129 Å²	129	37.5 Å²	37.5	60%	0.603	21%	0.21	S	C	*	.	H	α-helix	trans	-65.3	-29.5	176.9	-74	170	174.6	0	0	113	Q172 H173 G178	Q172-E176 HydrophobicContact CG-CG 4.46Å; Q172-E176 WeakPolarHBondContact CG-OE1 3.48Å; Q172-E176 PolarHBondContact NE2-OE1 3.13Å; Q172-E176 WeakPolarHBondContact O-CG 3.21Å; Q172-E176 PolarHBondContact O-N 3.18Å; H173-E176 PolarHBondContact O-N 3.49Å; E176-G178 PolarHBondContact O-N 3.4Å
177	S	94.3	Very high	96.5	Very high	80 Å²	80	34.1 Å²	34.1	56%	0.559	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-4.3	175.1	-58	0	0	0	0	113.3	H173 L175	H173-S177 WeakPolarHBondContact O-CB 3.42Å; H173-S177 PolarHBondContact O-N 3.16Å; H173-S177 PolarHBondContact O-OG 2.7Å; L175-S177 VanDerWaalsContact C-N 3.26Å; L175-S177 PolarHBondContact O-N 2.8Å
178	G	90.3	Very high	96.3	Very high	42 Å²	42	34 Å²	34	43%	0.433	19%	0.193	S	C	.	.	S	Bend	trans	92.3	146	178.8	0	0	0	0	0	113.3	L175 E176	L175-G178 PolarHBondContact O-N 3.17Å; L175-G178 VanDerWaalsContact O-N 3.1Å; E176-G178 PolarHBondContact O-N 3.4Å
179	G	94.9	Very high	96.1	Very high	37 Å²	37	35.1 Å²	35.1	38%	0.381	20%	0.2	S	C	.	.	S	Bend	trans	91.9	-167.5	-174.7	0	0	0	0	0	112.5
180	K	98.4	Very high	95.8	Very high	60 Å²	60	31.3 Å²	31.3	26%	0.261	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	160.3	-171.9	-57.8	-171.2	-178.4	-169	0	110.9	W80 D83 D84 G109 I110 K111 A112	W80-K180 HydrophobicContact CH2-CB 4.07Å; W80-K180 HydrophobicContact CH2-CD 3.37Å; W80-K180 HydrophobicContact CH2-CG 4.36Å; W80-K180 HydrophobicContact CZ2-CD 4.14Å; W80-K180 HydrophobicContact CZ3-CB 4.2Å; W80-K180 HydrophobicContact CZ3-CD 3.71Å; D83-K180 WeakPolarHBondContact O-CD 3.32Å; D83-K180 WeakPolarHBondContact O-CE 3.4Å; D83-K180 PolarHBondContact O-NZ 2.96Å; D84-K180 HydrophobicContact CB-CG 4.17Å; D84-K180 WeakPolarHBondContact O-CA 3.34Å; D84-K180 WeakPolarHBondContact O-CB 3.45Å; G109-K180 WeakPolarHBondContact O-CB 3.35Å; G109-K180 PolarHBondContact O-N 2.78Å; I110-K180 CarbonylContact C-O 3.48Å; I110-K180 WeakPolarHBondContact CA-O 3.38Å; I110-K180 HydrophobicContact CD1-CB 3.83Å; K111-K180 PolarHBondContact N-O 3.23Å; A112-K180 PolarHBondContact N-O 3.24Å
181	I	98.6	Very high	95.6	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	149.9	178.2	69.1	175.5	0	0	0	111.1	D84 I85 L86 A112 F114 M171 L175	D84-I181 PolarHBondContact O-N 2.89Å; I85-I181 WeakPolarHBondContact CA-O 3.43Å; I85-I181 HydrophobicContact CB-CG1 4.37Å; I85-I181 HydrophobicContact CD1-CD1 4.45Å; I85-I181 HydrophobicContact CG1-CD1 4.06Å; I85-I181 HydrophobicContact CG1-CG1 3.86Å; I85-I181 HydrophobicContact CG2-CG1 4.27Å; L86-I181 PolarHBondContact N-O 2.82Å; A112-I181 HydrophobicContact CB-CG2 4.06Å; A112-I181 CarbonylContact O-C 3.5Å; A112-I181 WeakPolarHBondContact O-CA 3.33Å; F114-I181 HydrophobicContact CD2-CB 4.3Å; F114-I181 HydrophobicContact CD2-CD1 4.48Å; F114-I181 HydrophobicContact CE2-CB 4.03Å; F114-I181 HydrophobicContact CE2-CD1 4.16Å; F114-I181 HydrophobicContact CE2-CG2 4.06Å; M171-I181 HydrophobicContact CB-CD1 3.81Å; M171-I181 HydrophobicContact CE-CD1 3.55Å; M171-I181 HydrophobicContact CG-CD1 3.9Å; L175-I181 HydrophobicContact CD1-CD1 3.92Å; L175-I181 HydrophobicContact CD1-CG1 4.44Å; L175-I181 HydrophobicContact CD2-CD1 4.41Å; L175-I181 HydrophobicContact CD2-CG1 4.08Å; L175-I181 HydrophobicContact CD2-CG2 3.99Å; L175-I181 HydrophobicContact CG-CD1 4.05Å; L175-I181 HydrophobicContact CG-CG1 4.25Å; L175-I181 HydrophobicContact CG-CG2 4.01Å
182	A	98.3	Very high	95.4	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	134.7	172.8	0	0	0	0	0	109.9	L86 F88 I110 A112 I113 F114	L86-A182 HydrophobicContact CB-CB 4.07Å; L86-A182 HydrophobicContact CD2-CB 4.17Å; L86-A182 CarbonylContact O-C 3.59Å; L86-A182 WeakPolarHBondContact O-CA 2.87Å; F88-A182 HydrophobicContact CD1-CB 3.79Å; F88-A182 HydrophobicContact CE1-CB 3.34Å; F88-A182 HydrophobicContact CZ-CB 3.93Å; I110-A182 HydrophobicContact CD1-CB 3.96Å; I110-A182 HydrophobicContact CG1-CB 4.39Å; I110-A182 HydrophobicContact CG2-CB 4Å; A112-A182 PolarHBondContact O-N 2.76Å; I113-A182 CarbonylContact C-O 3.57Å; I113-A182 WeakPolarHBondContact CA-O 3.39Å; I113-A182 HydrophobicContact CG1-CB 4.32Å; F114-A182 PolarHBondContact N-O 3.39Å
183	V	98.3	Very high	95.2	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	126.3	-178.4	-171.9	0	0	0	0	109.4	I85 L86 F88 F114 L116 M171 T192 T195 I196	I85-V183 HydrophobicContact CG2-CG2 4.28Å; L86-V183 PolarHBondContact O-N 3.27Å; F88-V183 WeakPolarHBondContact CD1-O 3.19Å; F88-V183 PolarHBondContact N-O 2.96Å; F88-V183 VanDerWaalsContact N-O 3.17Å; F114-V183 HydrophobicContact CB-CB 4.4Å; F114-V183 HydrophobicContact CB-CG1 4.16Å; F114-V183 HydrophobicContact CB-CG2 4.16Å; F114-V183 HydrophobicContact CD2-CG2 4.48Å; L116-V183 HydrophobicContact CD1-CG1 3.65Å; L116-V183 HydrophobicContact CD2-CG1 4.32Å; L116-V183 HydrophobicContact CG-CG1 4.08Å; M171-V183 HydrophobicContact CE-CG2 3.9Å; V183-T192 HydrophobicContact CB-CG2 4.13Å; V183-T192 HydrophobicContact CG1-CG2 4.08Å; V183-T192 WeakPolarHBondContact O-CG2 3.36Å; V183-T195 HydrophobicContact CG1-CG2 4.29Å; V183-I196 HydrophobicContact CB-CD1 4.49Å; V183-I196 HydrophobicContact CG2-CG1 4.43Å
184	H	97.2	Very high	94.9	Very high	0 Å²	0	23 Å²	23	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	153.1	176	77	94.3	0	0	0	113.1	F88 F114 N115 L116 Y136 T192	F88-H184 HydrophobicContact CD1-CB 3.68Å; F88-H184 HydrophobicContact CD2-CB 4.45Å; F88-H184 HydrophobicContact CE1-CB 3.52Å; F88-H184 AromaticContact CE1-CD2 3.65Å; F88-H184 AromaticContact CE1-CG 3.93Å; F88-H184 HydrophobicContact CE2-CB 4.38Å; F88-H184 HydrophobicContact CG-CB 4.12Å; F88-H184 HydrophobicContact CZ-CB 3.92Å; F88-H184 AromaticContact CZ-CD2 3.4Å; F88-H184 VanDerWaalsContact CZ-CD2 3.4Å; F88-H184 WeakPolarHBondContact CZ-CD2 3.49Å; F88-H184 AromaticContact CZ-CG 3.89Å; F88-H184 WeakPolarHBondContact O-CA 3.28Å; F88-H184 WeakPolarHBondContact O-CB 3.24Å; F114-H184 PolarHBondContact O-N 2.72Å; N115-H184 WeakPolarHBondContact CB-NE2 3.39Å; N115-H184 PolarHBondContact OD1-CE1 3.47Å; L116-H184 WeakPolarHBondContact CB-O 3.48Å; L116-H184 VanDerWaalsContact CG-O 3.28Å; L116-H184 WeakPolarHBondContact CG-O 3.29Å; L116-H184 PolarHBondContact N-O 3.25Å; Y136-H184 AromaticContact CE1-CE1 3.84Å; Y136-H184 AromaticContact CE1-NE2 3.92Å; Y136-H184 AromaticContact CZ-NE2 3.71Å; Y136-H184 PolarHBondContact OH-CE1 3.17Å; Y136-H184 PolarHBondContact OH-NE2 2.89Å; H184-T192 WeakPolarHBondContact CA-OG1 3.28Å
185	C	95	Very high	94.8	Very high	4 Å²	4	22.4 Å²	22.4	3%	0.027	15%	0.146	C	C	.	.	S	Bend	trans	-114.6	-131.4	157.9	62.6	0	0	0	0	107.6	L116 Q117 G188 R191 T192	L116-C185 HydrophobicContact CB-CB 4.15Å; Q117-C185 VanDerWaalsContact CG-C 3.46Å; Q117-C185 PolarHBondContact OE1-O 3.31Å; C185-G188 PolarHBondContact SG-N 3.25Å; C185-G188 VanDerWaalsContact SG-N 3.4Å; C185-R191 HydrophobicContact CB-CB 3.8Å; C185-T192 PolarHBondContact N-OG1 3.2Å; C185-T192 VanDerWaalsContact N-OG1 3.09Å
186	H	94.9	Very high	94.7	Very high	3 Å²	3	20.9 Å²	20.9	1%	0.014	14%	0.138	C	C	.	.	S	Bend	trans	-73.4	-70.1	168.1	-179.1	62.6	0	0	0	112.1	C58 C61 A89 R90 H122	C58-H186 PolarHBondContact SG-NE2 2.71Å; C61-H186 PolarHBondContact SG-CE1 2.88Å; A89-H186 WeakPolarHBondContact CA-O 3.41Å; R90-H186 WeakPolarHBondContact CD-ND1 3.24Å; R90-H186 PolarHBondContact N-O 2.92Å; R90-H186 PolarHBondContact NE-CE1 3.4Å; R90-H186 PolarHBondContact NE-ND1 3.02Å; H122-H186 AromaticContact CD2-CG 3.65Å; H122-H186 AromaticContact CE1-CD2 3.61Å; H122-H186 AromaticContact CE1-CG 3.86Å; H122-H186 AromaticContact CG-CD2 3.85Å; H122-H186 AromaticContact CG-CE1 3.95Å; H122-H186 AromaticContact CG-CG 3.55Å; H122-H186 AromaticContact CG-ND1 3.65Å; H122-H186 AromaticContact ND1-CD2 3.5Å; H122-H186 PolarHBondContact ND1-CD2 3.12Å; H122-H186 AromaticContact ND1-CE1 3.99Å; H122-H186 AromaticContact ND1-CG 3.71Å; H122-H186 AromaticContact ND1-NE2 3.72Å; H122-H186 AromaticContact NE2-CG 3.84Å
187	A	93.2	Very high	94.5	Very high	14 Å²	14	14.8 Å²	14.8	12%	0.116	11%	0.109	C	C	.	.	S	Bend	trans	-86.8	-8.7	-178.5	0	0	0	0	0	113.8	Y60 Y77 L189	Y60-A187 HydrophobicContact CD1-CB 4.1Å; Y60-A187 HydrophobicContact CD2-CB 3.4Å; Y60-A187 VanDerWaalsContact CD2-CB 3.4Å; Y60-A187 HydrophobicContact CE1-CB 4.28Å; Y60-A187 HydrophobicContact CE2-CB 3.59Å; Y60-A187 HydrophobicContact CG-CB 3.66Å; Y77-A187 WeakPolarHBondContact CD1-O 3.38Å; A187-L189 HydrophobicContact CB-CB 4.49Å; A187-L189 HydrophobicContact CB-CD1 4.08Å; A187-L189 HydrophobicContact CB-CG 3.98Å
188	G	94.1	Very high	94.5	Very high	0 Å²	0	11 Å²	11	0%	0	8%	0.083	C	C	.	.	S	Bend	trans	70	31.7	-173.9	0	0	0	0	0	113.8	F88 C185 T192 R219	F88-G188 WeakPolarHBondContact O-CA 3.36Å; C185-G188 PolarHBondContact SG-N 3.25Å; C185-G188 VanDerWaalsContact SG-N 3.4Å; G188-T192 WeakPolarHBondContact CA-OG1 3.41Å; G188-R219 PolarHBondContact O-NE 2.97Å; G188-R219 PolarHBondContact O-NH2 2.93Å; G188-R219 VanDerWaalsContact O-NH2 3.13Å
189	L	90.8	Very high	94.7	Very high	25 Å²	25	9.5 Å²	9.5	13%	0.131	6%	0.064	C	C	.	.	S	Bend	trans	-113.6	-73.2	-173.3	-64.5	-178.1	0	0	0	112.8	Y60 Y77 A187 G193 R219 Q221	Y60-L189 HydrophobicContact CE2-CD1 4.42Å; Y60-L189 WeakPolarHBondContact OH-CD1 3.46Å; Y77-L189 HydrophobicContact CE1-CD2 3.72Å; Y77-L189 HydrophobicContact CE1-CG 4.49Å; A187-L189 HydrophobicContact CB-CB 4.49Å; A187-L189 HydrophobicContact CB-CD1 4.08Å; A187-L189 HydrophobicContact CB-CG 3.98Å; L189-G193 WeakPolarHBondContact O-CA 3.46Å; L189-G193 PolarHBondContact O-N 3.03Å; L189-R219 HydrophobicContact CD2-CG 4.46Å; L189-Q221 HydrophobicContact CD1-CB 3.98Å; L189-Q221 HydrophobicContact CD2-CB 3.66Å; L189-Q221 HydrophobicContact CG-CB 4.45Å
190	G	89.8	Confident	94.7	Very high	26 Å²	26	7.9 Å²	7.9	27%	0.268	5%	0.047	S	C	.	.	H	α-helix	trans	-71	-73	-172.6	0	0	0	0	0	112.9	T192 G193 M194 V224	G190-T192 VanDerWaalsContact C-N 3.32Å; G190-T192 PolarHBondContact O-N 2.74Å; G190-G193 PolarHBondContact O-N 3.43Å; G190-M194 WeakPolarHBondContact O-CB 3.24Å; G190-M194 PolarHBondContact O-N 2.62Å; G190-V224 WeakPolarHBondContact O-CG2 3.19Å
191	R	93.6	Very high	94.4	Very high	7 Å²	7	5.7 Å²	5.7	3%	0.026	4%	0.038	C	C	.	.	H	α-helix	trans	-55.8	-46	180	-68.5	-179.4	-84.6	168.5	4.4	112.2	L116 E121 W153 D155 C185 M194 T195	L116-R191 HydrophobicContact CB-CB 4.28Å; L116-R191 HydrophobicContact CD1-CB 3.95Å; L116-R191 PolarHBondContact O-NH1 3.43Å; E121-R191 IonicContact OE1-CZ 3.37Å; E121-R191 IonicContact OE1-NH1 3.77Å; E121-R191 PolarHBondContact OE1-NH1 3.39Å; E121-R191 IonicContact OE1-NH2 2.7Å; E121-R191 PolarHBondContact OE1-NH2 3.12Å; E121-R191 IonicContact OE2-CZ 3.89Å; E121-R191 IonicContact OE2-NH1 3.37Å; E121-R191 PolarHBondContact OE2-NH1 2.93Å; E121-R191 IonicContact OE2-NH2 3.89Å; W153-R191 HydrophobicContact CD2-CG 4.38Å; W153-R191 VanDerWaalsContact CE2-CD 3.49Å; W153-R191 VanDerWaalsContact CE2-CG 3.42Å; W153-R191 HydrophobicContact CH2-CB 3.89Å; W153-R191 HydrophobicContact CH2-CG 4.32Å; W153-R191 HydrophobicContact CZ2-CB 3.37Å; W153-R191 HydrophobicContact CZ2-CG 3.4Å; W153-R191 VanDerWaalsContact CZ2-CG 3.4Å; W153-R191 PolarHBondContact O-NH1 3.07Å; D155-R191 IonicContact OD1-CZ 2.65Å; D155-R191 IonicContact OD1-NE 2.79Å; D155-R191 PolarHBondContact OD1-NE 3.45Å; D155-R191 IonicContact OD1-NH2 3.42Å; D155-R191 PolarHBondContact OD1-NH2 2.99Å; D155-R191 IonicContact OD2-NH2 2.77Å; C185-R191 HydrophobicContact CB-CB 3.8Å; R191-M194 PolarHBondContact O-N 2.85Å; R191-T195 PolarHBondContact O-N 2.97Å; R191-T195 PolarHBondContact O-OG1 3.35Å; R191-T195 VanDerWaalsContact O-OG1 3.13Å
192	T	95.2	Very high	94.1	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-58.4	-50	175.4	-58.3	0	0	0	0	112.5	A87 V183 H184 C185 G188 G190 M194 T195 I196	A87-T192 HydrophobicContact CB-CG2 3.68Å; V183-T192 HydrophobicContact CB-CG2 4.13Å; V183-T192 HydrophobicContact CG1-CG2 4.08Å; V183-T192 WeakPolarHBondContact O-CG2 3.36Å; H184-T192 WeakPolarHBondContact CA-OG1 3.28Å; C185-T192 PolarHBondContact N-OG1 3.2Å; C185-T192 VanDerWaalsContact N-OG1 3.09Å; G188-T192 WeakPolarHBondContact CA-OG1 3.41Å; G190-T192 VanDerWaalsContact C-N 3.32Å; G190-T192 PolarHBondContact O-N 2.74Å; T192-M194 VanDerWaalsContact C-N 3.35Å; T192-M194 PolarHBondContact O-N 2.68Å; T192-T195 PolarHBondContact O-N 3.1Å; T192-I196 HydrophobicContact CG2-CD1 3.82Å; T192-I196 VanDerWaalsContact O-CG1 3.3Å; T192-I196 WeakPolarHBondContact O-CG1 3.33Å; T192-I196 PolarHBondContact O-N 2.68Å
193	G	93.1	Very high	93.9	Very high	2 Å²	2	9 Å²	9	2%	0.021	6%	0.056	C	C	.	.	H	α-helix	trans	-61	-43.9	177.9	0	0	0	0	0	112	L189 G190 T195 I196 C197	L189-G193 WeakPolarHBondContact O-CA 3.46Å; L189-G193 PolarHBondContact O-N 3.03Å; G190-G193 PolarHBondContact O-N 3.43Å; G193-T195 PolarHBondContact O-N 3.19Å; G193-I196 PolarHBondContact O-N 2.81Å; G193-C197 WeakPolarHBondContact O-CB 3.49Å; G193-C197 PolarHBondContact O-N 3.12Å; G193-C197 PolarHBondContact O-SG 3.36Å
194	M	91.6	Very high	93.6	Very high	9 Å²	9	15.7 Å²	15.7	4%	0.044	9%	0.085	C	C	.	.	H	α-helix	trans	-58.5	-48.6	176.7	-176.6	-174.9	-78.1	0	0	111.4	I158 G190 R191 T192 C197 C198 V224 Y230	I158-M194 HydrophobicContact CG2-CE 4.42Å; G190-M194 WeakPolarHBondContact O-CB 3.24Å; G190-M194 PolarHBondContact O-N 2.62Å; R191-M194 PolarHBondContact O-N 2.85Å; T192-M194 VanDerWaalsContact C-N 3.35Å; T192-M194 PolarHBondContact O-N 2.68Å; M194-C197 PolarHBondContact O-N 2.98Å; M194-C198 PolarHBondContact O-N 3.26Å; M194-C198 PolarHBondContact O-SG 3.2Å; M194-V224 HydrophobicContact CB-CG1 3.9Å; M194-V224 HydrophobicContact CB-CG2 3.94Å; M194-V224 HydrophobicContact CE-CG1 3.25Å; M194-V224 HydrophobicContact CG-CG1 4.14Å; M194-Y230 HydrophobicContact CE-CD1 4.2Å; M194-Y230 HydrophobicContact CG-CD1 4.31Å; M194-Y230 HydrophobicContact CG-CE1 4.26Å; M194-Y230 HydrophobicContact SD-CD1 3.91Å; M194-Y230 HydrophobicContact SD-CE1 3.76Å
195	T	94.8	Very high	93.3	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-61.6	-45.4	179.3	-64.3	0	0	0	0	112.3	W153 I164 I167 M171 V183 R191 T192 G193 C198 F199	W153-T195 WeakPolarHBondContact CH2-OG1 3.34Å; I164-T195 HydrophobicContact CD1-CG2 4.46Å; I167-T195 HydrophobicContact CG2-CG2 3.69Å; M171-T195 HydrophobicContact CE-CG2 4.25Å; M171-T195 HydrophobicContact SD-CG2 3.44Å; M171-T195 WeakPolarHBondContact SD-CG2 3.38Å; V183-T195 HydrophobicContact CG1-CG2 4.29Å; R191-T195 PolarHBondContact O-N 2.97Å; R191-T195 PolarHBondContact O-OG1 3.35Å; R191-T195 VanDerWaalsContact O-OG1 3.13Å; T192-T195 PolarHBondContact O-N 3.1Å; G193-T195 PolarHBondContact O-N 3.19Å; T195-C198 PolarHBondContact O-N 3.18Å; T195-F199 WeakPolarHBondContact O-CB 3.42Å; T195-F199 PolarHBondContact O-N 3.31Å
196	I	95.9	Very high	93.1	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-66.5	-41	179.9	-63.4	170.8	0	0	0	110.6	V81 I85 A87 V183 T192 G193 C198 F199 L200 V215	V81-I196 HydrophobicContact CB-CD1 4.35Å; V81-I196 HydrophobicContact CB-CG2 4.29Å; V81-I196 HydrophobicContact CG1-CG2 3.75Å; V81-I196 HydrophobicContact CG2-CD1 3.94Å; I85-I196 HydrophobicContact CG2-CD1 3.85Å; I85-I196 HydrophobicContact CG2-CG1 3.92Å; I85-I196 HydrophobicContact CG2-CG2 4.42Å; A87-I196 HydrophobicContact CB-CD1 3.77Å; V183-I196 HydrophobicContact CB-CD1 4.49Å; V183-I196 HydrophobicContact CG2-CG1 4.43Å; T192-I196 HydrophobicContact CG2-CD1 3.82Å; T192-I196 VanDerWaalsContact O-CG1 3.3Å; T192-I196 WeakPolarHBondContact O-CG1 3.33Å; T192-I196 PolarHBondContact O-N 2.68Å; G193-I196 PolarHBondContact O-N 2.81Å; I196-C198 PolarHBondContact O-N 3.39Å; I196-F199 WeakPolarHBondContact O-CB 3.46Å; I196-F199 PolarHBondContact O-N 3.28Å; I196-L200 HydrophobicContact CG2-CD1 4.13Å; I196-L200 HydrophobicContact CG2-CG 4.43Å; I196-L200 WeakPolarHBondContact O-CG 3.3Å; I196-L200 PolarHBondContact O-N 3.16Å; I196-V215 HydrophobicContact CG2-CG2 4.02Å
197	C	93.5	Very high	92.8	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.007	15%	0.148	C	C	.	.	H	α-helix	trans	-58.9	-48.3	173.2	-71.6	0	0	0	0	111.7	G193 M194 F199 L200 I201 A211 V215 F227	G193-C197 WeakPolarHBondContact O-CB 3.49Å; G193-C197 PolarHBondContact O-N 3.12Å; G193-C197 PolarHBondContact O-SG 3.36Å; M194-C197 PolarHBondContact O-N 2.98Å; C197-F199 PolarHBondContact O-N 3.04Å; C197-L200 PolarHBondContact O-N 3.21Å; C197-L200 VanDerWaalsContact O-N 3.14Å; C197-I201 VanDerWaalsContact O-CG1 3.29Å; C197-I201 WeakPolarHBondContact O-CG1 3.27Å; C197-I201 PolarHBondContact O-N 2.1Å; C197-A211 HydrophobicContact CB-CB 4.16Å; C197-V215 VanDerWaalsContact SG-CG2 3.56Å; C197-F227 HydrophobicContact CB-CE1 4.5Å; C197-F227 HydrophobicContact CB-CE2 3.43Å; C197-F227 VanDerWaalsContact CB-CE2 3.43Å; C197-F227 HydrophobicContact CB-CZ 3.37Å
198	C	93.2	Very high	92.6	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-61.2	-36.2	178.5	-64.5	0	0	0	0	111.8	I164 V168 M194 T195 I196 I201 W202	I164-C198 HydrophobicContact CD1-CB 4.19Å; I164-C198 HydrophobicContact CG1-CB 3.7Å; V168-C198 HydrophobicContact CG1-CB 3.99Å; M194-C198 PolarHBondContact O-N 3.26Å; M194-C198 PolarHBondContact O-SG 3.2Å; T195-C198 PolarHBondContact O-N 3.18Å; I196-C198 PolarHBondContact O-N 3.39Å; C198-I201 PolarHBondContact O-N 2.94Å; C198-W202 WeakPolarHBondContact O-CB 3.41Å; C198-W202 PolarHBondContact O-N 3.42Å
199	F	95.4	Very high	92.3	Very high	10 Å²	10	29.5 Å²	29.5	4%	0.044	17%	0.168	C	C	.	.	H	α-helix	trans	-64.8	-43.5	174.2	175.5	-94.7	0	0	0	112.2	I85 V168 M171 Q172 L175 T195 I196 C197 I201 W202 S203	I85-F199 HydrophobicContact CD1-CD1 3.4Å; I85-F199 HydrophobicContact CD1-CE1 3.44Å; I85-F199 VanDerWaalsContact CD1-CE1 3.44Å; I85-F199 HydrophobicContact CD1-CG 4.33Å; I85-F199 HydrophobicContact CD1-CZ 4.39Å; V168-F199 HydrophobicContact CB-CB 4.45Å; V168-F199 HydrophobicContact CB-CD2 4.29Å; V168-F199 HydrophobicContact CG1-CB 4.06Å; M171-F199 HydrophobicContact CB-CD2 3.77Å; M171-F199 HydrophobicContact CB-CE2 4.02Å; M171-F199 HydrophobicContact CE-CB 3.77Å; M171-F199 HydrophobicContact CE-CD1 4.43Å; M171-F199 HydrophobicContact CE-CD2 4.08Å; M171-F199 HydrophobicContact CE-CG 3.8Å; M171-F199 HydrophobicContact SD-CB 4.22Å; M171-F199 HydrophobicContact SD-CD2 4.39Å; M171-F199 HydrophobicContact SD-CG 4.49Å; Q172-F199 HydrophobicContact CB-CE2 4.02Å; L175-F199 HydrophobicContact CD1-CE1 3.85Å; L175-F199 HydrophobicContact CD1-CE2 4Å; L175-F199 HydrophobicContact CD1-CZ 3.34Å; T195-F199 WeakPolarHBondContact O-CB 3.42Å; T195-F199 PolarHBondContact O-N 3.31Å; I196-F199 WeakPolarHBondContact O-CB 3.46Å; I196-F199 PolarHBondContact O-N 3.28Å; C197-F199 PolarHBondContact O-N 3.04Å; F199-I201 VanDerWaalsContact C-N 3.31Å; F199-I201 PolarHBondContact O-N 3.32Å; F199-W202 PolarHBondContact O-N 2.96Å; F199-S203 WeakPolarHBondContact CE1-OG 3.31Å; F199-S203 VanDerWaalsContact O-CB 3.28Å; F199-S203 WeakPolarHBondContact O-CB 3.47Å; F199-S203 PolarHBondContact O-N 3.34Å; F199-S203 PolarHBondContact O-OG 3.37Å
200	L	94.5	Very high	92.4	Very high	4 Å²	4	32.9 Å²	32.9	2%	0.021	18%	0.183	C	C	.	.	H	α-helix	trans	-63.3	-39	178	-69.4	168	0	0	0	111.5	T82 I196 C197 K204 W206 A211 Y214 V215	T82-L200 HydrophobicContact CG2-CD2 3.96Å; I196-L200 HydrophobicContact CG2-CD1 4.13Å; I196-L200 HydrophobicContact CG2-CG 4.43Å; I196-L200 WeakPolarHBondContact O-CG 3.3Å; I196-L200 PolarHBondContact O-N 3.16Å; C197-L200 PolarHBondContact O-N 3.21Å; C197-L200 VanDerWaalsContact O-N 3.14Å; L200-K204 WeakPolarHBondContact O-CA 3.39Å; L200-K204 VanDerWaalsContact O-CB 3.27Å; L200-K204 WeakPolarHBondContact O-CB 3.24Å; L200-K204 PolarHBondContact O-N 2.95Å; L200-W206 HydrophobicContact CB-CE3 3.96Å; L200-W206 HydrophobicContact CB-CZ3 4.32Å; L200-W206 HydrophobicContact CD1-CE3 4.28Å; L200-W206 HydrophobicContact CD1-CZ3 3.91Å; L200-W206 HydrophobicContact CD2-CH2 4.48Å; L200-W206 HydrophobicContact CD2-CZ3 4.14Å; L200-W206 HydrophobicContact CG-CE3 4.48Å; L200-W206 HydrophobicContact CG-CZ3 4.35Å; L200-A211 HydrophobicContact CB-CB 4.26Å; L200-Y214 HydrophobicContact CD1-CD1 3.88Å; L200-Y214 HydrophobicContact CD1-CE1 4.39Å; L200-V215 HydrophobicContact CD1-CG2 3.8Å
201	I	92.4	Very high	92.5	Very high	14 Å²	14	31.7 Å²	31.7	7%	0.072	17%	0.17	C	C	.	.	H	α-helix	trans	-63.1	-49.4	173.5	-62.8	171.1	0	0	0	110.3	C197 C198 F199 S203 G205 W206 A211 F227 V231 F238	C197-I201 VanDerWaalsContact O-CG1 3.29Å; C197-I201 WeakPolarHBondContact O-CG1 3.27Å; C197-I201 PolarHBondContact O-N 2.1Å; C198-I201 PolarHBondContact O-N 2.94Å; F199-I201 VanDerWaalsContact C-N 3.31Å; F199-I201 PolarHBondContact O-N 3.32Å; I201-S203 PolarHBondContact O-N 3.5Å; I201-G205 VanDerWaalsContact O-CA 3.29Å; I201-G205 WeakPolarHBondContact O-CA 3.32Å; I201-G205 PolarHBondContact O-N 3.01Å; I201-W206 WeakPolarHBondContact CG1-O 3.32Å; I201-A211 HydrophobicContact CD1-CB 4.18Å; I201-A211 HydrophobicContact CG1-CB 3.8Å; I201-F227 HydrophobicContact CD1-CZ 4.39Å; I201-V231 HydrophobicContact CD1-CB 4.46Å; I201-V231 HydrophobicContact CD1-CG1 3.29Å; I201-V231 HydrophobicContact CD1-CG2 4.35Å; I201-F238 HydrophobicContact CG2-CB 4.44Å; I201-F238 HydrophobicContact CG2-CD1 4.44Å; I201-F238 HydrophobicContact CG2-CD2 3.8Å; I201-F238 HydrophobicContact CG2-CE2 4.1Å; I201-F238 HydrophobicContact CG2-CG 4Å
202	W	92.5	Very high	92.3	Very high	35 Å²	35	31.5 Å²	31.5	13%	0.133	17%	0.17	C	C	.	.	H	α-helix	trans	-60.5	-39.9	178.7	175.2	-103.1	0	0	0	114.5	L165 V168 K169 C198 F199 F238 K241	L165-W202 HydrophobicContact CD2-CE3 4.04Å; L165-W202 HydrophobicContact CD2-CZ3 4.06Å; V168-W202 HydrophobicContact CB-CB 4.32Å; V168-W202 HydrophobicContact CB-CG 4.28Å; V168-W202 HydrophobicContact CG2-CB 4.03Å; V168-W202 HydrophobicContact CG2-CD2 4Å; V168-W202 HydrophobicContact CG2-CG 3.79Å; K169-W202 HydrophobicContact CD-CH2 4.35Å; K169-W202 HydrophobicContact CD-CZ2 4.25Å; K169-W202 HydrophobicContact CG-CH2 4.06Å; K169-W202 HydrophobicContact CG-CZ2 3.52Å; C198-W202 WeakPolarHBondContact O-CB 3.41Å; C198-W202 PolarHBondContact O-N 3.42Å; F199-W202 PolarHBondContact O-N 2.96Å; W202-F238 HydrophobicContact CB-CD1 3.99Å; W202-F238 HydrophobicContact CB-CE1 3.48Å; W202-F238 VanDerWaalsContact CB-CE1 3.48Å; W202-F238 HydrophobicContact CB-CZ 4.35Å; W202-F238 HydrophobicContact CD2-CD1 4.31Å; W202-F238 HydrophobicContact CD2-CE1 4Å; W202-F238 AromaticContact CE3-CD1 3.52Å; W202-F238 HydrophobicContact CE3-CD1 3.52Å; W202-F238 AromaticContact CE3-CE1 3.44Å; W202-F238 HydrophobicContact CE3-CE1 3.44Å; W202-F238 VanDerWaalsContact CE3-CE1 3.44Å; W202-F238 HydrophobicContact CG-CE1 4.08Å; W202-F238 HydrophobicContact CZ3-CD1 4.41Å; W202-F238 HydrophobicContact CZ3-CE1 4.46Å; W202-K241 VanDerWaalsContact CD2-NZ 3.33Å; W202-K241 HydrophobicContact CE3-CD 4.44Å; W202-K241 HydrophobicContact CH2-CD 4.28Å; W202-K241 HydrophobicContact CH2-CG 4.35Å; W202-K241 HydrophobicContact CZ2-CD 4.44Å; W202-K241 HydrophobicContact CZ3-CD 4.28Å; W202-K241 VanDerWaalsContact CZ3-CE 3.46Å; W202-K241 HydrophobicContact CZ3-CG 4.33Å; W202-K241 VanDerWaalsContact NE1-NZ 3.14Å; W202-K241 PolarHBondContact O-NZ 3.28Å
203	S	93.8	Very high	92.1	Very high	36 Å²	36	35.5 Å²	35.5	25%	0.252	19%	0.189	S	C	.	.	H	α-helix	trans	-96.1	-30.9	-168.9	61.6	0	0	0	0	113.3	F199 I201	F199-S203 WeakPolarHBondContact CE1-OG 3.31Å; F199-S203 VanDerWaalsContact O-CB 3.28Å; F199-S203 WeakPolarHBondContact O-CB 3.47Å; F199-S203 PolarHBondContact O-N 3.34Å; F199-S203 PolarHBondContact O-OG 3.37Å; I201-S203 PolarHBondContact O-N 3.5Å
204	K	92.1	Very high	92.1	Very high	140 Å²	140	38.1 Å²	38.1	61%	0.609	20%	0.198	S	C	*	.	H	α-helix	trans	-112.4	-7.5	-177.2	-55.5	-63.9	-174.6	-179.2	0	113.7	L200 W206	L200-K204 WeakPolarHBondContact O-CA 3.39Å; L200-K204 VanDerWaalsContact O-CB 3.27Å; L200-K204 WeakPolarHBondContact O-CB 3.24Å; L200-K204 PolarHBondContact O-N 2.95Å; K204-W206 VanDerWaalsContact CB-CD1 3.43Å; K204-W206 HydrophobicContact CB-CD2 4.13Å; K204-W206 HydrophobicContact CB-CG 3.87Å; K204-W206 PolarHBondContact O-N 3.32Å
205	G	90	Very high	92.2	Very high	67 Å²	67	37.7 Å²	37.7	69%	0.691	20%	0.196	S	C	*	.			trans	66.6	24.6	-175.1	0	0	0	0	0	113.1	I201	I201-G205 VanDerWaalsContact O-CA 3.29Å; I201-G205 WeakPolarHBondContact O-CA 3.32Å; I201-G205 PolarHBondContact O-N 3.01Å
206	W	91.1	Very high	92	Very high	72 Å²	72	42.5 Å²	42.5	27%	0.273	21%	0.214	S	C	.	.			trans	-70	151.3	179.7	-72.7	2.2	0	0	0	111.7	L200 I201 K204 E210 A211 Y214	L200-W206 HydrophobicContact CB-CE3 3.96Å; L200-W206 HydrophobicContact CB-CZ3 4.32Å; L200-W206 HydrophobicContact CD1-CE3 4.28Å; L200-W206 HydrophobicContact CD1-CZ3 3.91Å; L200-W206 HydrophobicContact CD2-CH2 4.48Å; L200-W206 HydrophobicContact CD2-CZ3 4.14Å; L200-W206 HydrophobicContact CG-CE3 4.48Å; L200-W206 HydrophobicContact CG-CZ3 4.35Å; I201-W206 WeakPolarHBondContact CG1-O 3.32Å; K204-W206 VanDerWaalsContact CB-CD1 3.43Å; K204-W206 HydrophobicContact CB-CD2 4.13Å; K204-W206 HydrophobicContact CB-CG 3.87Å; K204-W206 PolarHBondContact O-N 3.32Å; W206-E210 HydrophobicContact CB-CB 4.15Å; W206-E210 HydrophobicContact CD2-CB 4.46Å; W206-E210 HydrophobicContact CE3-CB 4.45Å; W206-E210 HydrophobicContact CG-CB 4.37Å; W206-A211 HydrophobicContact CE3-CB 4.36Å; W206-Y214 HydrophobicContact CH2-CD1 4.09Å; W206-Y214 AromaticContact CH2-CD2 3.46Å; W206-Y214 HydrophobicContact CH2-CD2 3.46Å; W206-Y214 VanDerWaalsContact CH2-CD2 3.46Å; W206-Y214 HydrophobicContact CH2-CE1 4.32Å; W206-Y214 AromaticContact CH2-CE2 3.73Å; W206-Y214 HydrophobicContact CH2-CE2 3.73Å; W206-Y214 AromaticContact CH2-CG 3.66Å; W206-Y214 HydrophobicContact CH2-CG 3.66Å; W206-Y214 AromaticContact CZ3-CD1 3.8Å; W206-Y214 HydrophobicContact CZ3-CD1 3.8Å; W206-Y214 AromaticContact CZ3-CD2 3.74Å; W206-Y214 HydrophobicContact CZ3-CD2 3.74Å; W206-Y214 HydrophobicContact CZ3-CE1 4.41Å; W206-Y214 HydrophobicContact CZ3-CE2 4.36Å; W206-Y214 AromaticContact CZ3-CG 3.42Å; W206-Y214 HydrophobicContact CZ3-CG 3.42Å; W206-Y214 VanDerWaalsContact CZ3-CG 3.42Å
207	T	89.3	Confident	91.7	Very high	67 Å²	67	49.3 Å²	49.3	41%	0.411	24%	0.244	S	C	.	.			trans	-67.9	158.7	167.7	64.5	0	0	0	0	110.9	Q209 E210 A211	T207-Q209 PolarHBondContact O-N 2.96Å; T207-E210 WeakPolarHBondContact CB-OE2 3.46Å; T207-E210 WeakPolarHBondContact CG2-OE2 3.46Å; T207-E210 PolarHBondContact N-OE2 3.2Å; T207-E210 PolarHBondContact O-N 3.24Å; T207-E210 WeakPolarHBondContact OG1-CB 3.33Å; T207-E210 VanDerWaalsContact OG1-CD 3.24Å; T207-E210 WeakPolarHBondContact OG1-CG 3.38Å; T207-E210 PolarHBondContact OG1-N 2.82Å; T207-E210 PolarHBondContact OG1-OE2 2.97Å; T207-A211 PolarHBondContact O-N 3.49Å
208	P	88.2	Confident	91.5	Very high	17 Å²	17	54.5 Å²	54.5	11%	0.11	26%	0.263	C	S	.	.	H	α-helix	trans	-55.8	-38.3	174.5	-22.7	32.2	0	0	0	112.5	L212 F227 Y228 V231	P208-L212 VanDerWaalsContact O-CB 3.32Å; P208-L212 WeakPolarHBondContact O-CB 3.39Å; P208-L212 PolarHBondContact O-N 3.09Å; P208-F227 HydrophobicContact CB-CE1 4.07Å; P208-F227 WeakPolarHBondContact O-CE1 3.46Å; P208-Y228 HydrophobicContact CB-CD1 4.08Å; P208-Y228 HydrophobicContact CB-CE1 4.35Å; P208-V231 HydrophobicContact CB-CB 4.3Å; P208-V231 HydrophobicContact CB-CG1 3.88Å; P208-V231 HydrophobicContact CG-CB 4.33Å; P208-V231 HydrophobicContact CG-CG1 3.6Å
209	Q	88	Confident	91.2	Very high	88 Å²	88	54.7 Å²	54.7	41%	0.411	26%	0.264	S	S	.	.	H	α-helix	trans	-60.9	-52.8	177.5	-173.6	77.3	10.8	0	0	111.3	T207 A211 L212 E213 Y228	T207-Q209 PolarHBondContact O-N 2.96Å; Q209-A211 PolarHBondContact O-N 3.5Å; Q209-L212 PolarHBondContact O-N 3.05Å; Q209-E213 PolarHBondContact NE2-OE1 3.23Å; Q209-E213 WeakPolarHBondContact O-CB 3.45Å; Q209-E213 WeakPolarHBondContact O-CG 3.27Å; Q209-E213 PolarHBondContact O-N 2.7Å; Q209-Y228 HydrophobicContact CB-CE1 4.49Å; Q209-Y228 VanDerWaalsContact OE1-CE1 3.32Å; Q209-Y228 VanDerWaalsContact OE1-CZ 3.32Å; Q209-Y228 PolarHBondContact OE1-OH 3.41Å
210	E	91.9	Very high	90	Very high	96 Å²	96	62.2 Å²	62.2	45%	0.449	30%	0.299	S	S	.	.	H	α-helix	trans	-60.4	-45.8	-178.8	-72.9	163.1	144.2	0	0	111.5	W206 T207 L212 Y214	W206-E210 HydrophobicContact CB-CB 4.15Å; W206-E210 HydrophobicContact CD2-CB 4.46Å; W206-E210 HydrophobicContact CE3-CB 4.45Å; W206-E210 HydrophobicContact CG-CB 4.37Å; T207-E210 WeakPolarHBondContact CB-OE2 3.46Å; T207-E210 WeakPolarHBondContact CG2-OE2 3.46Å; T207-E210 PolarHBondContact N-OE2 3.2Å; T207-E210 PolarHBondContact O-N 3.24Å; T207-E210 WeakPolarHBondContact OG1-CB 3.33Å; T207-E210 VanDerWaalsContact OG1-CD 3.24Å; T207-E210 WeakPolarHBondContact OG1-CG 3.38Å; T207-E210 PolarHBondContact OG1-N 2.82Å; T207-E210 PolarHBondContact OG1-OE2 2.97Å; E210-L212 PolarHBondContact O-N 3.27Å; E210-Y214 WeakPolarHBondContact O-CB 3.23Å; E210-Y214 PolarHBondContact O-N 3.32Å
211	A	92	Very high	88.8	Confident	0 Å²	0	65.9 Å²	65.9	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-60.6	-47.1	177.5	0	0	0	0	0	111.8	C197 L200 I201 W206 T207 Q209 Y214 V215	C197-A211 HydrophobicContact CB-CB 4.16Å; L200-A211 HydrophobicContact CB-CB 4.26Å; I201-A211 HydrophobicContact CD1-CB 4.18Å; I201-A211 HydrophobicContact CG1-CB 3.8Å; W206-A211 HydrophobicContact CE3-CB 4.36Å; T207-A211 PolarHBondContact O-N 3.49Å; Q209-A211 PolarHBondContact O-N 3.5Å; A211-Y214 PolarHBondContact O-N 2.9Å; A211-V215 WeakPolarHBondContact O-CG2 3.34Å; A211-V215 PolarHBondContact O-N 3.01Å
212	L	89.8	Confident	87.5	Confident	3 Å²	3	65.2 Å²	65.2	2%	0.016	31%	0.313	C	S	.	.	H	α-helix	trans	-66.3	-44.3	-178.9	-173.9	62.8	0	0	0	112.3	P208 Q209 E210 Y214 V215 R216 F227 Y228	P208-L212 VanDerWaalsContact O-CB 3.32Å; P208-L212 WeakPolarHBondContact O-CB 3.39Å; P208-L212 PolarHBondContact O-N 3.09Å; Q209-L212 PolarHBondContact O-N 3.05Å; E210-L212 PolarHBondContact O-N 3.27Å; L212-Y214 VanDerWaalsContact C-N 3.34Å; L212-V215 PolarHBondContact O-N 3.29Å; L212-R216 HydrophobicContact CD1-CG 4.27Å; L212-R216 HydrophobicContact CG-CG 4.48Å; L212-R216 WeakPolarHBondContact O-CB 3.14Å; L212-R216 WeakPolarHBondContact O-CG 3.19Å; L212-R216 PolarHBondContact O-N 2.92Å; L212-F227 HydrophobicContact CB-CD1 4.16Å; L212-F227 HydrophobicContact CB-CE1 3.86Å; L212-F227 HydrophobicContact CD1-CD1 4.18Å; L212-F227 HydrophobicContact CD1-CE1 4.43Å; L212-F227 HydrophobicContact CD1-CG 4.49Å; L212-F227 HydrophobicContact CD2-CD1 3.92Å; L212-F227 HydrophobicContact CD2-CE1 4.45Å; L212-F227 HydrophobicContact CG-CD1 4.32Å; L212-F227 HydrophobicContact CG-CE1 4.48Å; L212-Y228 HydrophobicContact CD2-CE2 3.62Å
213	E	91	Very high	86	Confident	85 Å²	85	67.4 Å²	67.4	40%	0.397	33%	0.33	S	S	.	.	H	α-helix	trans	-61.8	-43.5	176.8	-75.5	-177.6	-170.9	0	0	111.5	Q209 R216 K217	Q209-E213 PolarHBondContact NE2-OE1 3.23Å; Q209-E213 WeakPolarHBondContact O-CB 3.45Å; Q209-E213 WeakPolarHBondContact O-CG 3.27Å; Q209-E213 PolarHBondContact O-N 2.7Å; E213-R216 PolarHBondContact O-N 3.42Å; E213-K217 WeakPolarHBondContact O-CB 3.06Å; E213-K217 VanDerWaalsContact O-CG 3.28Å; E213-K217 WeakPolarHBondContact O-CG 3.33Å; E213-K217 PolarHBondContact O-N 3.35Å
214	Y	93.5	Very high	84.4	Confident	56 Å²	56	66.3 Å²	66.3	22%	0.22	32%	0.322	C	S	.	.	H	α-helix	trans	-62.2	-46.4	178.9	-176.3	-89	0	0	0	112.2	V81 T82 L200 W206 E210 A211 L212 R218	V81-Y214 HydrophobicContact CG1-CE1 4.39Å; V81-Y214 WeakPolarHBondContact O-CE1 3.44Å; V81-Y214 PolarHBondContact O-OH 3.05Å; T82-Y214 HydrophobicContact CG2-CE1 4.01Å; L200-Y214 HydrophobicContact CD1-CD1 3.88Å; L200-Y214 HydrophobicContact CD1-CE1 4.39Å; W206-Y214 HydrophobicContact CH2-CD1 4.09Å; W206-Y214 AromaticContact CH2-CD2 3.46Å; W206-Y214 HydrophobicContact CH2-CD2 3.46Å; W206-Y214 VanDerWaalsContact CH2-CD2 3.46Å; W206-Y214 HydrophobicContact CH2-CE1 4.32Å; W206-Y214 AromaticContact CH2-CE2 3.73Å; W206-Y214 HydrophobicContact CH2-CE2 3.73Å; W206-Y214 AromaticContact CH2-CG 3.66Å; W206-Y214 HydrophobicContact CH2-CG 3.66Å; W206-Y214 AromaticContact CZ3-CD1 3.8Å; W206-Y214 HydrophobicContact CZ3-CD1 3.8Å; W206-Y214 AromaticContact CZ3-CD2 3.74Å; W206-Y214 HydrophobicContact CZ3-CD2 3.74Å; W206-Y214 HydrophobicContact CZ3-CE1 4.41Å; W206-Y214 HydrophobicContact CZ3-CE2 4.36Å; W206-Y214 AromaticContact CZ3-CG 3.42Å; W206-Y214 HydrophobicContact CZ3-CG 3.42Å; W206-Y214 VanDerWaalsContact CZ3-CG 3.42Å; E210-Y214 WeakPolarHBondContact O-CB 3.23Å; E210-Y214 PolarHBondContact O-N 3.32Å; A211-Y214 PolarHBondContact O-N 2.9Å; L212-Y214 VanDerWaalsContact C-N 3.34Å; Y214-R218 VanDerWaalsContact CE2-CZ 3.49Å; Y214-R218 VanDerWaalsContact CZ-NH1 3.34Å; Y214-R218 PolarHBondContact OH-NH2 3.46Å
215	V	93.1	Very high	83.1	Confident	1 Å²	1	62.4 Å²	62.4	1%	0.006	31%	0.31	C	S	.	.	H	α-helix	trans	-65.6	-44.5	178	173.3	0	0	0	0	110.9	V81 I196 C197 L200 A211 L212 K217 R218 R219 A222	V81-V215 HydrophobicContact CG1-CB 4.43Å; V81-V215 HydrophobicContact CG1-CG1 4.46Å; V81-V215 HydrophobicContact CG1-CG2 3.89Å; I196-V215 HydrophobicContact CG2-CG2 4.02Å; C197-V215 VanDerWaalsContact SG-CG2 3.56Å; L200-V215 HydrophobicContact CD1-CG2 3.8Å; A211-V215 WeakPolarHBondContact O-CG2 3.34Å; A211-V215 PolarHBondContact O-N 3.01Å; L212-V215 PolarHBondContact O-N 3.29Å; V215-K217 PolarHBondContact O-N 3.2Å; V215-R218 PolarHBondContact O-N 3.3Å; V215-R219 PolarHBondContact O-N 3.45Å; V215-A222 HydrophobicContact CG1-CB 3.92Å
216	R	90.2	Very high	82.1	Confident	101 Å²	101	63.4 Å²	63.4	38%	0.381	30%	0.299	S	S	.	.	H	α-helix	trans	-66.7	-34.7	180	-77.2	-179.8	173	167.1	0.3	113.4	L212 E213 R218 R219 Q220 A222	L212-R216 HydrophobicContact CD1-CG 4.27Å; L212-R216 HydrophobicContact CG-CG 4.48Å; L212-R216 WeakPolarHBondContact O-CB 3.14Å; L212-R216 WeakPolarHBondContact O-CG 3.19Å; L212-R216 PolarHBondContact O-N 2.92Å; E213-R216 PolarHBondContact O-N 3.42Å; R216-R218 PolarHBondContact O-N 3.49Å; R216-R219 CarbonylContact O-C 3.58Å; R216-R219 VanDerWaalsContact O-C 3.32Å; R216-R219 PolarHBondContact O-N 3.45Å; R216-Q220 WeakPolarHBondContact O-CA 3.23Å; R216-Q220 PolarHBondContact O-N 2.95Å; R216-Q220 VanDerWaalsContact O-N 3.12Å; R216-A222 PolarHBondContact NE-O 2.83Å
217	K	90.9	Very high	81.3	Confident	142 Å²	142	60.1 Å²	60.1	62%	0.617	29%	0.287	S	S	*	.	H	α-helix	trans	-58.8	-36	175.7	-81.8	175.5	-179.6	175.9	0	112.1	E213 V215	E213-K217 WeakPolarHBondContact O-CB 3.06Å; E213-K217 VanDerWaalsContact O-CG 3.28Å; E213-K217 WeakPolarHBondContact O-CG 3.33Å; E213-K217 PolarHBondContact O-N 3.35Å; V215-K217 PolarHBondContact O-N 3.2Å
218	R	89.5	Confident	80.7	Confident	110 Å²	110	61.2 Å²	61.2	42%	0.415	28%	0.284	S	S	.	.	H	α-helix	trans	-91	-31.4	178.8	-71.6	169.5	175.3	70.7	2.3	112.9	T79 V81 Y214 V215 R216	T79-R218 WeakPolarHBondContact CG2-O 3.16Å; V81-R218 WeakPolarHBondContact O-CD 3.38Å; V81-R218 PolarHBondContact O-NE 3Å; Y214-R218 VanDerWaalsContact CE2-CZ 3.49Å; Y214-R218 VanDerWaalsContact CZ-NH1 3.34Å; Y214-R218 PolarHBondContact OH-NH2 3.46Å; V215-R218 PolarHBondContact O-N 3.3Å; R216-R218 PolarHBondContact O-N 3.49Å
219	R	86.3	Confident	80.1	Confident	4 Å²	4	65.6 Å²	65.6	2%	0.015	31%	0.307	C	S	.	.			trans	-134.6	79.1	-176.8	-158.1	167.3	-179.4	89.7	-11.7	109.5	T79 A87 G188 L189 V215 R216 Q221 A222	T79-R219 PolarHBondContact OG1-NH1 3.3Å; A87-R219 PolarHBondContact O-NH1 3.41Å; A87-R219 PolarHBondContact O-NH2 2.86Å; G188-R219 PolarHBondContact O-NE 2.97Å; G188-R219 PolarHBondContact O-NH2 2.93Å; G188-R219 VanDerWaalsContact O-NH2 3.13Å; L189-R219 HydrophobicContact CD2-CG 4.46Å; V215-R219 PolarHBondContact O-N 3.45Å; R216-R219 CarbonylContact O-C 3.58Å; R216-R219 VanDerWaalsContact O-C 3.32Å; R216-R219 PolarHBondContact O-N 3.45Å; R219-Q221 PolarHBondContact O-N 3.5Å; R219-A222 VanDerWaalsContact O-CB 3.24Å; R219-A222 WeakPolarHBondContact O-CB 3.27Å; R219-A222 PolarHBondContact O-N 2.93Å
220	Q	70	Confident	79.8	Confident	169 Å²	169	62.1 Å²	62.1	79%	0.79	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-27.5	-171.2	-66.6	178.7	-2.6	0	0	114.1	R216 A222	R216-Q220 WeakPolarHBondContact O-CA 3.23Å; R216-Q220 PolarHBondContact O-N 2.95Å; R216-Q220 VanDerWaalsContact O-N 3.12Å; Q220-A222 VanDerWaalsContact C-N 3.34Å
221	Q	70	Confident	79.1	Confident	80 Å²	80	57.6 Å²	57.6	37%	0.374	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	5.8	-179.4	-63	-179.5	6	0	0	114	Y60 L189 R219 V223	Y60-Q221 PolarHBondContact OH-OE1 3.39Å; L189-Q221 HydrophobicContact CD1-CB 3.98Å; L189-Q221 HydrophobicContact CD2-CB 3.66Å; L189-Q221 HydrophobicContact CG-CB 4.45Å; R219-Q221 PolarHBondContact O-N 3.5Å; Q221-V223 VanDerWaalsContact C-N 3.28Å; Q221-V223 PolarHBondContact O-N 2.93Å
222	A	65.2	Low	78.4	Confident	1 Å²	1	62.2 Å²	62.2	1%	0.008	29%	0.291	C	S	.	.			trans	-67.3	87.5	173.1	0	0	0	0	0	110	V215 R216 R219 Q220	V215-A222 HydrophobicContact CG1-CB 3.92Å; R216-A222 PolarHBondContact NE-O 2.83Å; R219-A222 VanDerWaalsContact O-CB 3.24Å; R219-A222 WeakPolarHBondContact O-CB 3.27Å; R219-A222 PolarHBondContact O-N 2.93Å; Q220-A222 VanDerWaalsContact C-N 3.34Å
223	V	60.5	Low	77.7	Confident	81 Å²	81	64.9 Å²	64.9	49%	0.491	31%	0.31	S	S	.	.			trans	-100.3	104.2	177.6	-178	0	0	0	0	108.6	Q221	Q221-V223 VanDerWaalsContact C-N 3.28Å; Q221-V223 PolarHBondContact O-N 2.93Å
224	V	60.9	Low	76.8	Confident	13 Å²	13	60.9 Å²	60.9	8%	0.079	29%	0.291	C	S	.	.			trans	-105.7	108.9	169.1	-171.5	0	0	0	0	107.6	G190 M194 F227	G190-V224 WeakPolarHBondContact O-CG2 3.19Å; M194-V224 HydrophobicContact CB-CG1 3.9Å; M194-V224 HydrophobicContact CB-CG2 3.94Å; M194-V224 HydrophobicContact CE-CG1 3.25Å; M194-V224 HydrophobicContact CG-CG1 4.14Å; V224-F227 HydrophobicContact CB-CB 3.9Å; V224-F227 HydrophobicContact CB-CD2 4.22Å; V224-F227 HydrophobicContact CB-CG 4.35Å; V224-F227 HydrophobicContact CG1-CB 3.74Å; V224-F227 HydrophobicContact CG1-CD2 3.88Å; V224-F227 HydrophobicContact CG1-CG 4.24Å
225	T	63.5	Low	75.8	Confident	57 Å²	57	64.4 Å²	64.4	35%	0.35	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	139.2	173.6	-49	0	0	0	0	108.4	R36 F227	R36-T225 PolarHBondContact NH1-OG1 3.09Å; R36-T225 PolarHBondContact NH2-OG1 3.14Å; T225-F227 PolarHBondContact O-N 3.34Å
226	D	68.5	Low	74.7	Confident	88 Å²	88	68.6 Å²	68.6	47%	0.471	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.6	23.8	177.7	-149.8	27.6	0	0	0	115.9	Y228 N229 Y230	D226-Y228 PolarHBondContact O-N 3.2Å; D226-N229 PolarHBondContact O-N 3.19Å; D226-N229 VanDerWaalsContact OD1-CB 3.31Å; D226-N229 WeakPolarHBondContact OD1-CB 3.41Å; D226-N229 PolarHBondContact OD1-ND2 2.91Å; D226-Y230 WeakPolarHBondContact O-CB 3.5Å; D226-Y230 PolarHBondContact O-N 3.23Å
227	F	75.9	Confident	73.7	Confident	3 Å²	3	67.3 Å²	67.3	1%	0.013	33%	0.331	C	S	.	.	H	α-helix	trans	-57	-45.8	-176	177.5	-105.7	0	0	0	113.5	C197 I201 P208 L212 V224 T225 Y230 V231	C197-F227 HydrophobicContact CB-CE1 4.5Å; C197-F227 HydrophobicContact CB-CE2 3.43Å; C197-F227 VanDerWaalsContact CB-CE2 3.43Å; C197-F227 HydrophobicContact CB-CZ 3.37Å; I201-F227 HydrophobicContact CD1-CZ 4.39Å; P208-F227 HydrophobicContact CB-CE1 4.07Å; P208-F227 WeakPolarHBondContact O-CE1 3.46Å; L212-F227 HydrophobicContact CB-CD1 4.16Å; L212-F227 HydrophobicContact CB-CE1 3.86Å; L212-F227 HydrophobicContact CD1-CD1 4.18Å; L212-F227 HydrophobicContact CD1-CE1 4.43Å; L212-F227 HydrophobicContact CD1-CG 4.49Å; L212-F227 HydrophobicContact CD2-CD1 3.92Å; L212-F227 HydrophobicContact CD2-CE1 4.45Å; L212-F227 HydrophobicContact CG-CD1 4.32Å; L212-F227 HydrophobicContact CG-CE1 4.48Å; V224-F227 HydrophobicContact CB-CB 3.9Å; V224-F227 HydrophobicContact CB-CD2 4.22Å; V224-F227 HydrophobicContact CB-CG 4.35Å; V224-F227 HydrophobicContact CG1-CB 3.74Å; V224-F227 HydrophobicContact CG1-CD2 3.88Å; V224-F227 HydrophobicContact CG1-CG 4.24Å; T225-F227 PolarHBondContact O-N 3.34Å; F227-Y230 PolarHBondContact O-N 3.5Å; F227-V231 HydrophobicContact CD1-CG2 4.43Å; F227-V231 HydrophobicContact CD2-CG2 3.76Å; F227-V231 HydrophobicContact CE1-CG2 4.02Å; F227-V231 HydrophobicContact CE2-CG2 3.28Å; F227-V231 HydrophobicContact CG-CG2 4.32Å; F227-V231 HydrophobicContact CZ-CB 4.37Å; F227-V231 HydrophobicContact CZ-CG2 3.43Å; F227-V231 VanDerWaalsContact CZ-CG2 3.43Å; F227-V231 WeakPolarHBondContact O-CB 3.15Å; F227-V231 WeakPolarHBondContact O-CG2 3.4Å; F227-V231 PolarHBondContact O-N 2.95Å
228	Y	75	Confident	72.6	Confident	90 Å²	90	61.5 Å²	61.5	35%	0.353	31%	0.306	S	S	.	.	H	α-helix	trans	-63.9	-48.2	-176.9	-69.1	-85.8	0	0	0	111.4	P208 Q209 L212 D226 Y230 V231 E232	P208-Y228 HydrophobicContact CB-CD1 4.08Å; P208-Y228 HydrophobicContact CB-CE1 4.35Å; Q209-Y228 HydrophobicContact CB-CE1 4.49Å; Q209-Y228 VanDerWaalsContact OE1-CE1 3.32Å; Q209-Y228 VanDerWaalsContact OE1-CZ 3.32Å; Q209-Y228 PolarHBondContact OE1-OH 3.41Å; L212-Y228 HydrophobicContact CD2-CE2 3.62Å; D226-Y228 PolarHBondContact O-N 3.2Å; Y228-Y230 VanDerWaalsContact C-N 3.27Å; Y228-Y230 PolarHBondContact O-N 3.49Å; Y228-V231 PolarHBondContact O-N 2.89Å; Y228-E232 WeakPolarHBondContact O-CB 3.35Å; Y228-E232 WeakPolarHBondContact O-CG 3.5Å; Y228-E232 PolarHBondContact O-N 2.85Å
229	N	76.7	Confident	71.6	Confident	110 Å²	110	60.8 Å²	60.8	59%	0.588	31%	0.31	S	S	*	.	H	α-helix	trans	-62	-39.4	177.8	-68.2	-24.7	0	0	0	111.5	D226 S233	D226-N229 PolarHBondContact O-N 3.19Å; D226-N229 VanDerWaalsContact OD1-CB 3.31Å; D226-N229 WeakPolarHBondContact OD1-CB 3.41Å; D226-N229 PolarHBondContact OD1-ND2 2.91Å; N229-S233 PolarHBondContact O-N 3.39Å
230	Y	81.4	Confident	70.3	Confident	14 Å²	14	66.1 Å²	66.1	6%	0.055	34%	0.343	C	S	.	.	H	α-helix	trans	-61.6	-48.9	175.2	-178.7	-110.5	0	0	0	112	I158 I159 I164 M194 D226 F227 Y228 S233 L234	I158-Y230 HydrophobicContact CB-CD2 4.46Å; I159-Y230 WeakPolarHBondContact CG1-OH 3.27Å; I159-Y230 WeakPolarHBondContact O-CE2 3.24Å; I159-Y230 VanDerWaalsContact O-CZ 3.26Å; I159-Y230 PolarHBondContact O-OH 3.4Å; I164-Y230 WeakPolarHBondContact CB-OH 3.28Å; I164-Y230 HydrophobicContact CG2-CE1 4.49Å; I164-Y230 VanDerWaalsContact CG2-OH 3.28Å; I164-Y230 WeakPolarHBondContact CG2-OH 3.36Å; M194-Y230 HydrophobicContact CE-CD1 4.2Å; M194-Y230 HydrophobicContact CG-CD1 4.31Å; M194-Y230 HydrophobicContact CG-CE1 4.26Å; M194-Y230 HydrophobicContact SD-CD1 3.91Å; M194-Y230 HydrophobicContact SD-CE1 3.76Å; D226-Y230 WeakPolarHBondContact O-CB 3.5Å; D226-Y230 PolarHBondContact O-N 3.23Å; F227-Y230 PolarHBondContact O-N 3.5Å; Y228-Y230 VanDerWaalsContact C-N 3.27Å; Y228-Y230 PolarHBondContact O-N 3.49Å; Y230-S233 WeakPolarHBondContact O-CB 3.43Å; Y230-S233 PolarHBondContact O-N 2.93Å; Y230-S233 PolarHBondContact O-OG 3.33Å; Y230-L234 HydrophobicContact CD1-CD1 4.25Å; Y230-L234 HydrophobicContact CE1-CD1 3.93Å
231	V	77.3	Confident	69.6	Low	2 Å²	2	66.2 Å²	66.2	1%	0.012	34%	0.341	C	S	.	.	H	α-helix	trans	-75.4	-32	-175.6	175.9	0	0	0	0	113.1	I201 P208 F227 Y228 S233 L234 R235	I201-V231 HydrophobicContact CD1-CB 4.46Å; I201-V231 HydrophobicContact CD1-CG1 3.29Å; I201-V231 HydrophobicContact CD1-CG2 4.35Å; P208-V231 HydrophobicContact CB-CB 4.3Å; P208-V231 HydrophobicContact CB-CG1 3.88Å; P208-V231 HydrophobicContact CG-CB 4.33Å; P208-V231 HydrophobicContact CG-CG1 3.6Å; F227-V231 HydrophobicContact CD1-CG2 4.43Å; F227-V231 HydrophobicContact CD2-CG2 3.76Å; F227-V231 HydrophobicContact CE1-CG2 4.02Å; F227-V231 HydrophobicContact CE2-CG2 3.28Å; F227-V231 HydrophobicContact CG-CG2 4.32Å; F227-V231 HydrophobicContact CZ-CB 4.37Å; F227-V231 HydrophobicContact CZ-CG2 3.43Å; F227-V231 VanDerWaalsContact CZ-CG2 3.43Å; F227-V231 WeakPolarHBondContact O-CB 3.15Å; F227-V231 WeakPolarHBondContact O-CG2 3.4Å; F227-V231 PolarHBondContact O-N 2.95Å; Y228-V231 PolarHBondContact O-N 2.89Å; V231-S233 PolarHBondContact O-N 3.35Å; V231-L234 HydrophobicContact CB-CD1 4.29Å; V231-L234 HydrophobicContact CG1-CD1 4.35Å; V231-L234 HydrophobicContact CG2-CD1 4.02Å; V231-L234 WeakPolarHBondContact O-CA 3.19Å; V231-L234 WeakPolarHBondContact O-CB 3.42Å; V231-L234 PolarHBondContact O-N 3.44Å; V231-R235 PolarHBondContact O-N 2.93Å
232	E	76.5	Confident	69.6	Low	97 Å²	97	65.6 Å²	65.6	45%	0.453	34%	0.339	S	S	.	.	H	α-helix	trans	-58.4	-33.7	170.6	-76.3	-57.9	140	0	0	111.2	Y228 L234 R235	Y228-E232 WeakPolarHBondContact O-CB 3.35Å; Y228-E232 WeakPolarHBondContact O-CG 3.5Å; Y228-E232 PolarHBondContact O-N 2.85Å; E232-L234 PolarHBondContact O-N 3.47Å; E232-R235 PolarHBondContact O-N 2.82Å; E232-R235 WeakPolarHBondContact OE2-CD 3.47Å
233	S	75.5	Confident	69.8	Low	59 Å²	59	68.9 Å²	68.9	41%	0.413	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-16.9	172.4	84.5	0	0	0	0	113.9	V161 N229 Y230 V231	V161-S233 WeakPolarHBondContact CG2-OG 3.27Å; N229-S233 PolarHBondContact O-N 3.39Å; Y230-S233 WeakPolarHBondContact O-CB 3.43Å; Y230-S233 PolarHBondContact O-N 2.93Å; Y230-S233 PolarHBondContact O-OG 3.33Å; V231-S233 PolarHBondContact O-N 3.35Å
234	L	72.6	Confident	70.4	Confident	0 Å²	0	68.3 Å²	68.3	0%	0	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-21.7	179.9	-50	172.3	0	0	0	113	V161 I164 Y230 V231 E232 P236 I237 F238	V161-L234 HydrophobicContact CB-CD2 3.64Å; V161-L234 HydrophobicContact CG1-CD2 3.26Å; V161-L234 HydrophobicContact CG2-CD2 3.45Å; V161-L234 VanDerWaalsContact CG2-CD2 3.45Å; I164-L234 HydrophobicContact CG2-CD1 4.23Å; I164-L234 HydrophobicContact CG2-CD2 3.65Å; Y230-L234 HydrophobicContact CD1-CD1 4.25Å; Y230-L234 HydrophobicContact CE1-CD1 3.93Å; V231-L234 HydrophobicContact CB-CD1 4.29Å; V231-L234 HydrophobicContact CG1-CD1 4.35Å; V231-L234 HydrophobicContact CG2-CD1 4.02Å; V231-L234 WeakPolarHBondContact O-CA 3.19Å; V231-L234 WeakPolarHBondContact O-CB 3.42Å; V231-L234 PolarHBondContact O-N 3.44Å; E232-L234 PolarHBondContact O-N 3.47Å; L234-P236 VanDerWaalsContact C-CD 3.46Å; L234-I237 PolarHBondContact O-N 3.39Å; L234-F238 HydrophobicContact CB-CD2 3.34Å; L234-F238 HydrophobicContact CB-CE2 3.18Å; L234-F238 HydrophobicContact CB-CZ 4.29Å; L234-F238 HydrophobicContact CD1-CE2 3.55Å; L234-F238 HydrophobicContact CD1-CZ 4.25Å; L234-F238 HydrophobicContact CD2-CE2 4.47Å; L234-F238 HydrophobicContact CG-CD2 4.47Å; L234-F238 HydrophobicContact CG-CE2 3.87Å; L234-F238 WeakPolarHBondContact O-CD2 3.47Å; L234-F238 PolarHBondContact O-N 3.31Å
235	R	71.8	Confident	70.9	Confident	130 Å²	130	71.5 Å²	71.5	49%	0.491	37%	0.365	S	S	.	.	H	α-helix	trans	-48.5	-48.1	-176.2	-100.4	-162.7	66.5	160.1	-0.2	114.4	V231 E232 I237 F238 D239	V231-R235 PolarHBondContact O-N 2.93Å; E232-R235 PolarHBondContact O-N 2.82Å; E232-R235 WeakPolarHBondContact OE2-CD 3.47Å; R235-I237 PolarHBondContact O-N 3.2Å; R235-F238 PolarHBondContact O-N 3.47Å; R235-F238 VanDerWaalsContact O-N 3.14Å; R235-D239 IonicContact CZ-OD2 3.57Å; R235-D239 IonicContact NE-OD2 2.85Å; R235-D239 PolarHBondContact NE-OD2 3.03Å; R235-D239 IonicContact NH2-OD2 3.2Å; R235-D239 PolarHBondContact NH2-OD2 3.23Å; R235-D239 WeakPolarHBondContact O-CB 3.45Å; R235-D239 PolarHBondContact O-N 3.44Å
236	P	69.5	Low	71.4	Confident	90 Å²	90	72.4 Å²	72.4	58%	0.584	37%	0.366	S	S	*	.	H	α-helix	trans	-58.2	-26.4	-178.3	-24.9	34.4	0	0	0	113.8	L234 T240	L234-P236 VanDerWaalsContact C-CD 3.46Å; P236-T240 WeakPolarHBondContact O-CG2 3.31Å; P236-T240 PolarHBondContact O-OG1 3.06Å
237	I	69.3	Low	71.6	Confident	74 Å²	74	71.4 Å²	71.4	38%	0.379	36%	0.359	S	S	.	.	H	α-helix	trans	-96	-29.4	-178.2	-59.3	161.1	0	0	0	111.4	V161 L165 L234 R235 T240	V161-I237 HydrophobicContact CG1-CD1 3.39Å; L165-I237 HydrophobicContact CD1-CB 4.09Å; L165-I237 HydrophobicContact CD1-CD1 3.98Å; L165-I237 HydrophobicContact CD1-CG2 3.34Å; L165-I237 HydrophobicContact CD2-CG2 4.08Å; L165-I237 HydrophobicContact CG-CG2 4.36Å; L234-I237 PolarHBondContact O-N 3.39Å; R235-I237 PolarHBondContact O-N 3.2Å; I237-T240 PolarHBondContact O-OG1 2.79Å
238	F	68.7	Low	71.3	Confident	20 Å²	20	76.3 Å²	76.3	9%	0.088	38%	0.384	C	S	.	.	H	α-helix	trans	-73.3	-33.8	172.8	-73.9	-56.7	0	0	0	112.7	L165 I201 W202 L234 R235 T240	L165-F238 HydrophobicContact CD2-CD1 4.33Å; L165-F238 HydrophobicContact CD2-CE1 3.61Å; L165-F238 HydrophobicContact CD2-CZ 3.88Å; I201-F238 HydrophobicContact CG2-CB 4.44Å; I201-F238 HydrophobicContact CG2-CD1 4.44Å; I201-F238 HydrophobicContact CG2-CD2 3.8Å; I201-F238 HydrophobicContact CG2-CE2 4.1Å; I201-F238 HydrophobicContact CG2-CG 4Å; W202-F238 HydrophobicContact CB-CD1 3.99Å; W202-F238 HydrophobicContact CB-CE1 3.48Å; W202-F238 VanDerWaalsContact CB-CE1 3.48Å; W202-F238 HydrophobicContact CB-CZ 4.35Å; W202-F238 HydrophobicContact CD2-CD1 4.31Å; W202-F238 HydrophobicContact CD2-CE1 4Å; W202-F238 AromaticContact CE3-CD1 3.52Å; W202-F238 HydrophobicContact CE3-CD1 3.52Å; W202-F238 AromaticContact CE3-CE1 3.44Å; W202-F238 HydrophobicContact CE3-CE1 3.44Å; W202-F238 VanDerWaalsContact CE3-CE1 3.44Å; W202-F238 HydrophobicContact CG-CE1 4.08Å; W202-F238 HydrophobicContact CZ3-CD1 4.41Å; W202-F238 HydrophobicContact CZ3-CE1 4.46Å; L234-F238 HydrophobicContact CB-CD2 3.34Å; L234-F238 HydrophobicContact CB-CE2 3.18Å; L234-F238 HydrophobicContact CB-CZ 4.29Å; L234-F238 HydrophobicContact CD1-CE2 3.55Å; L234-F238 HydrophobicContact CD1-CZ 4.25Å; L234-F238 HydrophobicContact CD2-CE2 4.47Å; L234-F238 HydrophobicContact CG-CD2 4.47Å; L234-F238 HydrophobicContact CG-CE2 3.87Å; L234-F238 WeakPolarHBondContact O-CD2 3.47Å; L234-F238 PolarHBondContact O-N 3.31Å; R235-F238 PolarHBondContact O-N 3.47Å; R235-F238 VanDerWaalsContact O-N 3.14Å; F238-T240 PolarHBondContact O-N 3.15Å
239	D	67.6	Low	71	Confident	95 Å²	95	75.2 Å²	75.2	51%	0.508	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-2.9	-177.3	-66.1	-11.9	0	0	0	113.4	R235	R235-D239 IonicContact CZ-OD2 3.57Å; R235-D239 IonicContact NE-OD2 2.85Å; R235-D239 PolarHBondContact NE-OD2 3.03Å; R235-D239 IonicContact NH2-OD2 3.2Å; R235-D239 PolarHBondContact NH2-OD2 3.23Å; R235-D239 WeakPolarHBondContact O-CB 3.45Å; R235-D239 PolarHBondContact O-N 3.44Å
240	T	59.9	Low	70.5	Confident	115 Å²	115	72.3 Å²	72.3	71%	0.706	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.2	8.9	-176.9	43.4	0	0	0	0	114.9	P236 I237 F238	P236-T240 WeakPolarHBondContact O-CG2 3.31Å; P236-T240 PolarHBondContact O-OG1 3.06Å; I237-T240 PolarHBondContact O-OG1 2.79Å; F238-T240 PolarHBondContact O-N 3.15Å
241	K	56	Low	69.5	Low	172 Å²	172	77.6 Å²	77.6	75%	0.748	40%	0.398	S	S	*	.			trans	-79.8	0	170.9	-96.6	-166.6	-178.7	177.7	0	112.3	W202	W202-K241 VanDerWaalsContact CD2-NZ 3.33Å; W202-K241 HydrophobicContact CE3-CD 4.44Å; W202-K241 HydrophobicContact CH2-CD 4.28Å; W202-K241 HydrophobicContact CH2-CG 4.35Å; W202-K241 HydrophobicContact CZ2-CD 4.44Å; W202-K241 HydrophobicContact CZ3-CD 4.28Å; W202-K241 VanDerWaalsContact CZ3-CE 3.46Å; W202-K241 HydrophobicContact CZ3-CG 4.33Å; W202-K241 VanDerWaalsContact NE1-NZ 3.14Å; W202-K241 PolarHBondContact O-NZ 3.28Å

Retrieved 241 of 241 residues in 517.5 ms (Link to these results)

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