A0A3Q0KK61_SCHMA Loading...

DNL-type domain-containing protein

AlphaFold DB (A0A5K4EKJ0), UniProt , Accession A0A3Q0KK61, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 212 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	46.9	Very low	48.8	Very low	237 Å²	237	123.5 Å²	123.5	100%	1.167	63%	0.63	S	S	*	*				0	-0.1	0	-83.9	-176.5	155.4	0	0	115.3
2	Q	46.6	Very low	49	Very low	165 Å²	165	129.6 Å²	129.6	77%	0.771	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.6	-19.3	-178	-69.8	-110.5	-32.9	0	0	115.4	K4 S5	Q2-K4 PolarHBondContact O-N 3.4Å; Q2-K4 VanDerWaalsContact O-N 3.16Å; Q2-S5 PolarHBondContact O-N 2.86Å; Q2-S5 PolarHBondContact O-OG 3.24Å
3	L	45.7	Very low	49.1	Very low	155 Å²	155	132.9 Å²	132.9	81%	0.812	64%	0.642	S	S	*	*	H	α-helix	trans	-64	-20.9	-177.6	-86.5	146.7	0	0	0	114.7
4	K	48.4	Very low	48.6	Very low	176 Å²	176	131.7 Å²	131.7	77%	0.765	63%	0.629	S	S	*	*	H	α-helix	trans	-76.7	-24.2	-179.2	-70.1	-173.6	178	-176.6	0	113.7	Q2 S7 T8	Q2-K4 PolarHBondContact O-N 3.4Å; Q2-K4 VanDerWaalsContact O-N 3.16Å; K4-S7 PolarHBondContact O-OG 3.05Å; K4-T8 PolarHBondContact O-OG1 3.41Å
5	S	52.6	Low	48.7	Very low	64 Å²	64	126.2 Å²	126.2	45%	0.448	61%	0.607	S	S	.	*	H	α-helix	trans	-82.3	-36.3	-177.5	69.6	0	0	0	0	112.7	Q2 S7 T8 Q9	Q2-S5 PolarHBondContact O-N 2.86Å; Q2-S5 PolarHBondContact O-OG 3.24Å; S5-S7 VanDerWaalsContact C-N 3.32Å; S5-S7 PolarHBondContact O-N 3.04Å; S5-T8 PolarHBondContact O-N 3.38Å; S5-T8 PolarHBondContact O-OG1 3.47Å; S5-Q9 WeakPolarHBondContact O-CG 3.48Å; S5-Q9 PolarHBondContact O-N 2.91Å
6	L	47.3	Very low	48.7	Very low	113 Å²	113	121.4 Å²	121.4	59%	0.592	59%	0.591	S	S	*	*	H	α-helix	trans	-64.6	-37.1	177	-80.9	163	0	0	0	111.8	T8 Q9 L10	L6-T8 VanDerWaalsContact C-N 3.32Å; L6-T8 PolarHBondContact O-N 2.65Å; L6-Q9 PolarHBondContact O-N 3.39Å; L6-L10 WeakPolarHBondContact O-CB 3.42Å; L6-L10 WeakPolarHBondContact O-CG 3.4Å; L6-L10 PolarHBondContact O-N 3.27Å
7	S	48.6	Very low	48.7	Very low	74 Å²	74	117.7 Å²	117.7	52%	0.517	58%	0.58	S	S	.	*	H	α-helix	trans	-66.7	-34	175.5	66.1	0	0	0	0	112.4	K4 S5 Y11	K4-S7 PolarHBondContact O-OG 3.05Å; S5-S7 VanDerWaalsContact C-N 3.32Å; S5-S7 PolarHBondContact O-N 3.04Å; S7-Y11 VanDerWaalsContact O-CB 3.28Å; S7-Y11 WeakPolarHBondContact O-CB 3.35Å; S7-Y11 PolarHBondContact O-N 2.86Å
8	T	53.8	Low	48.3	Very low	78 Å²	78	116.5 Å²	116.5	48%	0.479	57%	0.571	S	S	.	*	H	α-helix	trans	-74.3	-36.7	177.3	-2.8	0	0	0	0	112.5	K4 S5 L6 Y11 R12	K4-T8 PolarHBondContact O-OG1 3.41Å; S5-T8 PolarHBondContact O-N 3.38Å; S5-T8 PolarHBondContact O-OG1 3.47Å; L6-T8 VanDerWaalsContact C-N 3.32Å; L6-T8 PolarHBondContact O-N 2.65Å; T8-Y11 WeakPolarHBondContact O-CB 3.37Å; T8-Y11 PolarHBondContact O-N 3.29Å; T8-R12 PolarHBondContact O-N 3.27Å; T8-R12 VanDerWaalsContact O-N 3.1Å
9	Q	51.3	Low	48.1	Very low	143 Å²	143	117.2 Å²	117.2	67%	0.668	58%	0.577	S	S	*	*	H	α-helix	trans	-63.6	-49.8	174.6	-73.7	-102.2	10.1	0	0	111.2	S5 L6 Y11 R12 Y13	S5-Q9 WeakPolarHBondContact O-CG 3.48Å; S5-Q9 PolarHBondContact O-N 2.91Å; L6-Q9 PolarHBondContact O-N 3.39Å; Q9-Y11 PolarHBondContact O-N 3.04Å; Q9-R12 PolarHBondContact O-N 3.37Å; Q9-Y13 PolarHBondContact O-N 2.84Å
10	L	47.4	Very low	47.5	Very low	82 Å²	82	121.5 Å²	121.5	43%	0.429	59%	0.586	S	S	.	*	H	α-helix	trans	-60.4	-36.7	175.9	-70.9	172.6	0	0	0	111.5	L6 Y13 Y14	L6-L10 WeakPolarHBondContact O-CB 3.42Å; L6-L10 WeakPolarHBondContact O-CG 3.4Å; L6-L10 PolarHBondContact O-N 3.27Å; L10-Y13 PolarHBondContact O-N 3.31Å; L10-Y14 WeakPolarHBondContact O-CD2 3.33Å; L10-Y14 PolarHBondContact O-N 3.14Å
11	Y	48.1	Very low	47.2	Very low	71 Å²	71	123.8 Å²	123.8	28%	0.278	59%	0.594	S	S	.	*	H	α-helix	trans	-62.2	-46.1	176.2	-178.3	-112.8	0	0	0	113.1	S7 T8 Q9 Y13 Y14 T15 I202 K203	S7-Y11 VanDerWaalsContact O-CB 3.28Å; S7-Y11 WeakPolarHBondContact O-CB 3.35Å; S7-Y11 PolarHBondContact O-N 2.86Å; T8-Y11 WeakPolarHBondContact O-CB 3.37Å; T8-Y11 PolarHBondContact O-N 3.29Å; Q9-Y11 PolarHBondContact O-N 3.04Å; Y11-Y13 VanDerWaalsContact C-N 3.29Å; Y11-Y13 PolarHBondContact O-N 3.28Å; Y11-Y14 PolarHBondContact O-N 3.44Å; Y11-T15 HydrophobicContact CD1-CG2 4.35Å; Y11-T15 HydrophobicContact CD2-CG2 4.19Å; Y11-T15 HydrophobicContact CE1-CG2 3.87Å; Y11-T15 HydrophobicContact CE2-CG2 3.59Å; Y11-T15 VanDerWaalsContact CZ-CG2 3.46Å; Y11-T15 WeakPolarHBondContact O-CG2 3.33Å; Y11-T15 PolarHBondContact O-N 2.87Å; Y11-T15 PolarHBondContact O-OG1 3.12Å; Y11-I202 HydrophobicContact CD2-CG2 4.27Å; Y11-I202 HydrophobicContact CE2-CG2 3.16Å; Y11-I202 WeakPolarHBondContact OH-CG2 3.47Å; Y11-K203 WeakPolarHBondContact OH-CG 3.44Å
12	R	50.8	Low	47.1	Very low	197 Å²	197	119.7 Å²	119.7	74%	0.743	57%	0.57	S	S	*	*	H	α-helix	trans	-59.3	-41.1	176.9	-76.5	-174.7	175.6	-167.5	-0.8	111.8	T8 Q9 Y14 T15 S16	T8-R12 PolarHBondContact O-N 3.27Å; T8-R12 VanDerWaalsContact O-N 3.1Å; Q9-R12 PolarHBondContact O-N 3.37Å; R12-Y14 PolarHBondContact O-N 3.42Å; R12-T15 PolarHBondContact O-N 3.17Å; R12-T15 PolarHBondContact O-OG1 2.83Å; R12-S16 PolarHBondContact O-N 3.49Å; R12-S16 PolarHBondContact O-OG 3.22Å
13	Y	50.6	Low	47.1	Very low	173 Å²	173	116 Å²	116	68%	0.678	56%	0.562	S	S	*	*	H	α-helix	trans	-67.7	-33.7	178.7	-148.1	-89	0	0	0	113.2	Q9 L10 Y11 S16 S17	Q9-Y13 PolarHBondContact O-N 2.84Å; L10-Y13 PolarHBondContact O-N 3.31Å; Y11-Y13 VanDerWaalsContact C-N 3.29Å; Y11-Y13 PolarHBondContact O-N 3.28Å; Y13-S16 PolarHBondContact O-OG 2.95Å; Y13-S17 WeakPolarHBondContact O-CB 3.27Å; Y13-S17 PolarHBondContact O-N 3.27Å; Y13-S17 VanDerWaalsContact O-N 3.14Å; Y13-S17 PolarHBondContact O-OG 2.91Å
14	Y	42.5	Very low	46.8	Very low	116 Å²	116	115.3 Å²	115.3	46%	0.455	56%	0.559	S	S	.	*	H	α-helix	trans	-74.2	-40.3	175.2	-97.6	-82.8	0	0	0	112.5	L10 Y11 R12 S16 S17 F18 H172	L10-Y14 WeakPolarHBondContact O-CD2 3.33Å; L10-Y14 PolarHBondContact O-N 3.14Å; Y11-Y14 PolarHBondContact O-N 3.44Å; R12-Y14 PolarHBondContact O-N 3.42Å; Y14-S16 VanDerWaalsContact C-N 3.3Å; Y14-S16 PolarHBondContact O-N 3.46Å; Y14-S17 PolarHBondContact O-N 3.17Å; Y14-F18 WeakPolarHBondContact O-CB 3.44Å; Y14-F18 PolarHBondContact O-N 3.19Å; Y14-H172 AromaticContact CD1-CE1 3.62Å; Y14-H172 AromaticContact CD1-NE2 3.6Å; Y14-H172 AromaticContact CE1-CE1 3.21Å; Y14-H172 WeakPolarHBondContact CE1-CE1 3.45Å; Y14-H172 AromaticContact CE1-NE2 3.43Å; Y14-H172 WeakPolarHBondContact CE1-NE2 3.32Å; Y14-H172 AromaticContact CE2-NE2 3.98Å; Y14-H172 AromaticContact CG-NE2 3.95Å; Y14-H172 AromaticContact CZ-CE1 3.7Å; Y14-H172 AromaticContact CZ-NE2 3.61Å
15	T	50	Low	46.2	Very low	49 Å²	49	112.1 Å²	112.1	30%	0.301	56%	0.558	S	S	.	*	H	α-helix	trans	-64.2	-35	178.4	59.1	0	0	0	0	112.5	Y11 R12 L19	Y11-T15 HydrophobicContact CD1-CG2 4.35Å; Y11-T15 HydrophobicContact CD2-CG2 4.19Å; Y11-T15 HydrophobicContact CE1-CG2 3.87Å; Y11-T15 HydrophobicContact CE2-CG2 3.59Å; Y11-T15 VanDerWaalsContact CZ-CG2 3.46Å; Y11-T15 WeakPolarHBondContact O-CG2 3.33Å; Y11-T15 PolarHBondContact O-N 2.87Å; Y11-T15 PolarHBondContact O-OG1 3.12Å; R12-T15 PolarHBondContact O-N 3.17Å; R12-T15 PolarHBondContact O-OG1 2.83Å; T15-L19 WeakPolarHBondContact O-CB 3.41Å; T15-L19 WeakPolarHBondContact O-CD1 3.43Å; T15-L19 WeakPolarHBondContact O-CG 3.28Å; T15-L19 PolarHBondContact O-N 3.15Å
16	S	47.9	Very low	45.3	Very low	50 Å²	50	114.5 Å²	114.5	35%	0.35	57%	0.572	S	S	.	*	H	α-helix	trans	-70.6	-47.1	172.9	58.6	0	0	0	0	111.2	R12 Y13 Y14 F18 W20	R12-S16 PolarHBondContact O-N 3.49Å; R12-S16 PolarHBondContact O-OG 3.22Å; Y13-S16 PolarHBondContact O-OG 2.95Å; Y14-S16 VanDerWaalsContact C-N 3.3Å; Y14-S16 PolarHBondContact O-N 3.46Å; S16-F18 VanDerWaalsContact C-N 3.34Å; S16-F18 PolarHBondContact O-N 3.46Å; S16-W20 PolarHBondContact O-N 3.23Å
17	S	49.5	Very low	44.9	Very low	58 Å²	58	114.6 Å²	114.6	41%	0.406	58%	0.582	S	S	.	*	H	α-helix	trans	-66.7	-32.5	-177.5	-59.5	0	0	0	0	113.7	Y13 Y14	Y13-S17 WeakPolarHBondContact O-CB 3.27Å; Y13-S17 PolarHBondContact O-N 3.27Å; Y13-S17 VanDerWaalsContact O-N 3.14Å; Y13-S17 PolarHBondContact O-OG 2.91Å; Y14-S17 PolarHBondContact O-N 3.17Å
18	F	41.7	Very low	44.4	Very low	96 Å²	96	122 Å²	122	42%	0.421	60%	0.599	S	S	.	*	H	α-helix	trans	-78.5	-45.7	179	-132.4	-110.4	0	0	0	111.2	Y14 S16 W20 K21 F22 L176	Y14-F18 WeakPolarHBondContact O-CB 3.44Å; Y14-F18 PolarHBondContact O-N 3.19Å; S16-F18 VanDerWaalsContact C-N 3.34Å; S16-F18 PolarHBondContact O-N 3.46Å; F18-W20 PolarHBondContact O-N 3.46Å; F18-K21 PolarHBondContact O-N 3.22Å; F18-K21 VanDerWaalsContact O-N 3.1Å; F18-F22 AromaticContact CD1-CD2 3.99Å; F18-F22 HydrophobicContact CD1-CD2 3.99Å; F18-F22 AromaticContact CD1-CE2 3.4Å; F18-F22 HydrophobicContact CD1-CE2 3.4Å; F18-F22 HydrophobicContact CD1-CZ 4.38Å; F18-F22 HydrophobicContact CE1-CD2 4.26Å; F18-F22 AromaticContact CE1-CE2 3.26Å; F18-F22 HydrophobicContact CE1-CE2 3.26Å; F18-F22 AromaticContact CE1-CZ 3.83Å; F18-F22 HydrophobicContact CE1-CZ 3.83Å; F18-F22 HydrophobicContact CG-CE2 4.17Å; F18-F22 AromaticContact CZ-CE2 3.91Å; F18-F22 HydrophobicContact CZ-CE2 3.91Å; F18-F22 HydrophobicContact CZ-CZ 4.32Å; F18-F22 VanDerWaalsContact O-CD2 3.3Å; F18-F22 WeakPolarHBondContact O-CD2 3.05Å; F18-F22 PolarHBondContact O-N 3.49Å; F18-L176 HydrophobicContact CE1-CD2 4.4Å; F18-L176 HydrophobicContact CE2-CD2 4.13Å; F18-L176 HydrophobicContact CZ-CD2 3.59Å
19	L	43.4	Very low	43.4	Very low	130 Å²	130	123.7 Å²	123.7	68%	0.681	61%	0.612	S	S	*	*	H	α-helix	trans	-61.1	-33.3	-179.8	-80.3	165	0	0	0	112.5	T15 K21	T15-L19 WeakPolarHBondContact O-CB 3.41Å; T15-L19 WeakPolarHBondContact O-CD1 3.43Å; T15-L19 WeakPolarHBondContact O-CG 3.28Å; T15-L19 PolarHBondContact O-N 3.15Å; L19-K21 VanDerWaalsContact C-N 3.32Å; L19-K21 PolarHBondContact O-N 3.25Å
20	W	36	Very low	42.4	Very low	202 Å²	202	125.2 Å²	125.2	77%	0.765	62%	0.624	S	S	*	*	H	α-helix	trans	-77	-18.7	-179.2	-69.7	44.7	0	0	0	113.1	S16 F18 S23	S16-W20 PolarHBondContact O-N 3.23Å; F18-W20 PolarHBondContact O-N 3.46Å; W20-S23 PolarHBondContact O-OG 3.1Å
21	K	42.3	Very low	42	Very low	170 Å²	170	130.5 Å²	130.5	74%	0.739	64%	0.639	S	S	*	*	H	α-helix	trans	-91	-14.5	-179.1	-129.5	157.6	-173.6	171.3	0	113.8	F18 L19	F18-K21 PolarHBondContact O-N 3.22Å; F18-K21 VanDerWaalsContact O-N 3.1Å; L19-K21 VanDerWaalsContact C-N 3.32Å; L19-K21 PolarHBondContact O-N 3.25Å
22	F	45.3	Very low	41.2	Very low	151 Å²	151	132.3 Å²	132.3	66%	0.662	66%	0.663	S	S	*	*	H	α-helix	trans	-92.5	-17.3	174.2	-76.4	-84	0	0	0	113.9	F18	F18-F22 AromaticContact CD1-CD2 3.99Å; F18-F22 HydrophobicContact CD1-CD2 3.99Å; F18-F22 AromaticContact CD1-CE2 3.4Å; F18-F22 HydrophobicContact CD1-CE2 3.4Å; F18-F22 HydrophobicContact CD1-CZ 4.38Å; F18-F22 HydrophobicContact CE1-CD2 4.26Å; F18-F22 AromaticContact CE1-CE2 3.26Å; F18-F22 HydrophobicContact CE1-CE2 3.26Å; F18-F22 AromaticContact CE1-CZ 3.83Å; F18-F22 HydrophobicContact CE1-CZ 3.83Å; F18-F22 HydrophobicContact CG-CE2 4.17Å; F18-F22 AromaticContact CZ-CE2 3.91Å; F18-F22 HydrophobicContact CZ-CE2 3.91Å; F18-F22 HydrophobicContact CZ-CZ 4.32Å; F18-F22 VanDerWaalsContact O-CD2 3.3Å; F18-F22 WeakPolarHBondContact O-CD2 3.05Å; F18-F22 PolarHBondContact O-N 3.49Å
23	S	45.3	Very low	40.4	Very low	88 Å²	88	131.7 Å²	131.7	62%	0.615	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.9	-15.7	179.1	51.9	0	0	0	0	114.5	W20	W20-S23 PolarHBondContact O-OG 3.1Å
24	N	39.7	Very low	39.9	Very low	141 Å²	141	128.6 Å²	128.6	75%	0.754	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.7	21.4	-173.4	-82	-29.7	0	0	0	114.9	P26	N24-P26 WeakPolarHBondContact O-CD 3.16Å
25	C	35.7	Very low	39.7	Very low	109 Å²	109	128.3 Å²	128.3	74%	0.736	68%	0.679	S	S	*	*			trans	-94.8	111.4	173.3	-120.9	0	0	0	0	110.3	S27	C25-S27 PolarHBondContact O-N 3.47Å
26	P	34.3	Very low	39.3	Very low	113 Å²	113	134.3 Å²	134.3	73%	0.734	71%	0.708	S	S	*	*			trans	-62.8	131.3	177.4	25.6	-32.1	0	0	0	110.1	N24	N24-P26 WeakPolarHBondContact O-CD 3.16Å
27	S	38.7	Very low	38.7	Very low	115 Å²	115	137.7 Å²	137.7	80%	0.804	73%	0.726	S	S	*	*	S	Bend	trans	-51.8	136.3	162.5	29.7	0	0	0	0	109.6	C25	C25-S27 PolarHBondContact O-N 3.47Å
28	R	37.7	Very low	38.2	Very low	231 Å²	231	144.9 Å²	144.9	87%	0.872	75%	0.745	S	S	*	*			trans	103.8	67.1	172.4	-157.1	-178.7	-65.2	-119.6	-0.1	116.1
29	C	32.7	Very low	37.9	Very low	113 Å²	113	150.4 Å²	150.4	76%	0.764	76%	0.762	S	S	*	*			trans	-132.4	95.7	147	-76.3	0	0	0	0	108.5	Y31	C29-Y31 HydrophobicContact CB-CD2 4.47Å; C29-Y31 HydrophobicContact CB-CE2 4.45Å; C29-Y31 PolarHBondContact O-N 3.43Å; C29-Y31 VanDerWaalsContact O-N 3.14Å
30	L	31.7	Very low	37.7	Very low	174 Å²	174	150.3 Å²	150.3	91%	0.911	77%	0.767	S	S	*	*			trans	-70.8	98.4	171.4	-68.9	167.5	0	0	0	108.4
31	Y	38.2	Very low	37.7	Very low	193 Å²	193	148.7 Å²	148.7	76%	0.757	77%	0.772	S	S	*	*			trans	-88.9	101.7	161.2	-84.8	-81.2	0	0	0	108.2	C29 F33	C29-Y31 HydrophobicContact CB-CD2 4.47Å; C29-Y31 HydrophobicContact CB-CE2 4.45Å; C29-Y31 PolarHBondContact O-N 3.43Å; C29-Y31 VanDerWaalsContact O-N 3.14Å; Y31-F33 PolarHBondContact O-N 2.97Å
32	S	30.5	Very low	37.5	Very low	110 Å²	110	148 Å²	148	77%	0.769	78%	0.776	S	S	*	*			trans	-64.3	111.8	167	-174.4	0	0	0	0	108.8
33	F	35.6	Very low	37.1	Very low	183 Å²	183	145.1 Å²	145.1	80%	0.803	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-85.9	119.9	161.8	-70.8	-83.8	0	0	0	106.9	Y31	Y31-F33 PolarHBondContact O-N 2.97Å
34	P	38.5	Very low	36.5	Very low	109 Å²	109	148.8 Å²	148.8	71%	0.708	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-68.5	137.1	172.8	28.2	-30.7	0	0	0	109
35	P	39.2	Very low	36.6	Very low	110 Å²	110	148.8 Å²	148.8	71%	0.714	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-69.5	136.8	176.2	29.2	-31.7	0	0	0	109.7	T37	P35-T37 PolarHBondContact O-N 3.05Å; P35-T37 VanDerWaalsContact O-N 3.15Å
36	I	40.5	Very low	36.5	Very low	175 Å²	175	149.5 Å²	149.5	90%	0.897	79%	0.787	S	S	*	*			trans	-71.2	104.2	171.6	-66.5	163.8	0	0	0	107.7
37	T	35.7	Very low	37.1	Very low	120 Å²	120	152 Å²	152	74%	0.736	79%	0.793	S	S	*	*			trans	-130.9	107.4	166.7	43	0	0	0	0	111.6	P35	P35-T37 PolarHBondContact O-N 3.05Å; P35-T37 VanDerWaalsContact O-N 3.15Å
38	R	38.6	Very low	37.5	Very low	210 Å²	210	153.5 Å²	153.5	79%	0.792	79%	0.787	S	S	*	*			trans	24.1	134.6	142.4	-93.1	-177.8	175.1	-157.1	-1.4	121.1
39	R	37.1	Very low	37.3	Very low	211 Å²	211	148.5 Å²	148.5	80%	0.796	79%	0.785	S	S	*	*			trans	78.5	102.2	149.6	-65.5	-179.9	-172.2	-173.5	3.4	117
40	V	37.8	Very low	37.7	Very low	128 Å²	128	154 Å²	154	78%	0.776	79%	0.789	S	S	*	*			trans	-135.1	114.7	138	-177.7	0	0	0	0	107.7	L42	V40-L42 HydrophobicContact CG1-CD1 3.69Å
41	L	36	Very low	38	Very low	168 Å²	168	155.2 Å²	155.2	88%	0.88	79%	0.788	S	S	*	*			trans	-68	134.8	160.7	-78	152.6	0	0	0	107.5
42	L	38	Very low	38	Very low	157 Å²	157	156.1 Å²	156.1	82%	0.822	80%	0.795	S	S	*	*			trans	-149	138.7	150.2	-94.4	131.5	0	0	0	110.2	V40	V40-L42 HydrophobicContact CG1-CD1 3.69Å
43	S	38.2	Very low	38.2	Very low	89 Å²	89	160.3 Å²	160.3	62%	0.622	80%	0.8	S	S	*	*			trans	-57.6	142	-168.5	50.5	0	0	0	0	114.8	N45	S43-N45 PolarHBondContact O-N 3.21Å
44	L	33	Very low	38.1	Very low	166 Å²	166	156.1 Å²	156.1	87%	0.869	79%	0.792	S	S	*	*			trans	-60.8	118.1	156.8	-74.3	86.8	0	0	0	108.9
45	N	40.8	Very low	38.1	Very low	141 Å²	141	155.8 Å²	155.8	75%	0.754	79%	0.793	S	S	*	*			trans	-123.2	105.5	154.5	-83.4	-16.4	0	0	0	109.1	S43 I47	S43-N45 PolarHBondContact O-N 3.21Å; N45-I47 PolarHBondContact O-N 3.34Å
46	T	34.8	Very low	38	Very low	123 Å²	123	157 Å²	157	76%	0.755	79%	0.793	S	S	*	*			trans	-28.6	115.2	157.7	-54.7	0	0	0	0	113.9
47	I	45.2	Very low	38	Very low	166 Å²	166	155.9 Å²	155.9	85%	0.851	80%	0.795	S	S	*	*			trans	-134.9	120.7	157.2	-58.6	-179.1	0	0	0	108.3	N45	N45-I47 PolarHBondContact O-N 3.34Å
48	Q	48.1	Very low	38.4	Very low	146 Å²	146	156 Å²	156	68%	0.682	80%	0.795	S	S	*	*			trans	-73.9	147.6	-166.8	-58.5	175	-19.1	0	0	112.9	R50	Q48-R50 PolarHBondContact O-N 3.13Å
49	P	34	Very low	38.4	Very low	127 Å²	127	152.1 Å²	152.1	83%	0.825	80%	0.795	S	S	*	*			trans	-85	106.3	164.6	32.7	-26	0	0	0	108.8	K51	P49-K51 PolarHBondContact O-N 3.39Å
50	R	41.1	Very low	38.6	Very low	227 Å²	227	148 Å²	148	86%	0.857	79%	0.788	S	S	*	*			trans	-82.1	112.6	167.3	-93.6	-172.4	167.2	-147.4	-3	110	Q48	Q48-R50 PolarHBondContact O-N 3.13Å
51	K	37.2	Very low	39	Very low	201 Å²	201	148 Å²	148	87%	0.874	78%	0.784	S	S	*	*			trans	-55.5	134.8	163.8	-55.2	170.1	-178.7	177.7	0	110	P49	P49-K51 PolarHBondContact O-N 3.39Å
52	K	38.1	Very low	39.4	Very low	211 Å²	211	148 Å²	148	92%	0.917	78%	0.779	S	S	*	*			trans	-144.1	123.7	148.9	-95	-173.7	179.5	-176.5	0	109.5
53	F	35.7	Very low	39.1	Very low	198 Å²	198	145.6 Å²	145.6	87%	0.868	78%	0.775	S	S	*	*			trans	-91.1	169.2	-176.9	-163.9	-101.4	0	0	0	110.1
54	C	32.9	Very low	39.1	Very low	95 Å²	95	148 Å²	148	64%	0.642	79%	0.787	S	S	*	*			trans	-55.3	160.8	-166.8	-50.1	0	0	0	0	118.2
55	S	38.6	Very low	39.4	Very low	103 Å²	103	148 Å²	148	72%	0.72	79%	0.787	S	S	*	*			trans	-157.2	112.9	139.8	-88.4	0	0	0	0	107.9
56	D	37.1	Very low	39.6	Very low	134 Å²	134	146.8 Å²	146.8	72%	0.717	79%	0.786	S	S	*	*				86.3	109.3	88.3	-64.9	-39.5	0	0	0	112.7
57	T	41.1	Very low	39.7	Very low	152 Å²	152	147.4 Å²	147.4	93%	0.933	79%	0.789	S	S	*	*				-155.8	121.7	128.8	-20.3	0	0	0	0	111.3
58	V	42.3	Very low	39.2	Very low	123 Å²	123	143.6 Å²	143.6	75%	0.745	78%	0.783	S	S	*	*			trans	-84.5	138	177.4	170.4	0	0	0	0	109.7
59	T	40.3	Very low	38.7	Very low	128 Å²	128	142.7 Å²	142.7	79%	0.785	79%	0.788	S	S	*	*			trans	168.3	137.4	143.1	23.2	0	0	0	0	107.2
60	N	40.3	Very low	38.8	Very low	124 Å²	124	142.1 Å²	142.1	66%	0.663	78%	0.782	S	S	*	*			cis	-165.7	145.3	3.7	-157.1	-80.3	0	0	0	105
61	L	46.3	Very low	38.7	Very low	129 Å²	129	136 Å²	136	68%	0.675	77%	0.774	S	S	*	*			trans	20.6	134.4	150.9	-73.9	63.3	0	0	0	118.8
62	Q	43.5	Very low	38.8	Very low	169 Å²	169	133.5 Å²	133.5	79%	0.79	77%	0.77	S	S	*	*			cis	-173.4	147.3	44.4	-120.4	147.6	-27.7	0	0	109.5
63	S	33.5	Very low	38.8	Very low	105 Å²	105	131.6 Å²	131.6	73%	0.734	77%	0.77	S	S	*	*			trans	-60	136.8	170.6	43.6	0	0	0	0	114.9
64	T	38.1	Very low	39.3	Very low	141 Å²	141	127.4 Å²	127.4	87%	0.865	77%	0.765	S	S	*	*			trans	-170.3	121.6	138.6	9.1	0	0	0	0	111.2
65	L	39	Very low	39.4	Very low	165 Å²	165	132 Å²	132	86%	0.864	78%	0.778	S	S	*	*			trans	-77.5	144.9	164.4	-80.9	144.6	0	0	0	109.7
66	P	45.5	Very low	39.5	Very low	116 Å²	116	133.3 Å²	133.3	75%	0.753	78%	0.776	S	S	*	*			trans	-123.9	116.8	140.6	30.2	-16.4	0	0	0	108.5
67	V	36.5	Very low	39.7	Very low	135 Å²	135	131 Å²	131	82%	0.818	77%	0.77	S	S	*	*				54.6	129.5	76.7	-179.6	0	0	0	0	113.6
68	A	35.1	Very low	40	Very low	87 Å²	87	131 Å²	131	72%	0.719	76%	0.764	S	S	*	*			trans	-61	148.1	-169.4	0	0	0	0	0	117.5
69	T	37.6	Very low	40.7	Very low	126 Å²	126	131.9 Å²	131.9	77%	0.773	77%	0.765	S	S	*	*			trans	-170	103.4	147.6	9.8	0	0	0	0	107.2
70	T	35.1	Very low	41.3	Very low	115 Å²	115	130 Å²	130	71%	0.706	75%	0.747	S	S	*	*				48.6	126.7	98.9	58	0	0	0	0	115.8
71	S	39.2	Very low	41.9	Very low	99 Å²	99	130 Å²	130	69%	0.692	75%	0.747	S	S	*	*			trans	59.1	121.7	160.7	53.5	0	0	0	0	115.2
72	D	38.9	Very low	42.5	Very low	149 Å²	149	130.2 Å²	130.2	80%	0.797	75%	0.745	S	S	*	*				-154.4	139.5	79.8	-73.3	-35.8	0	0	0	113.4
73	N	37.5	Very low	43.4	Very low	171 Å²	171	128.4 Å²	128.4	91%	0.914	74%	0.739	S	S	*	*			trans	-69.1	123.6	165.3	-59.2	-45.1	0	0	0	108.6
74	S	46.2	Very low	45.2	Very low	109 Å²	109	130.3 Å²	130.3	76%	0.762	73%	0.734	S	S	*	*			trans	-157.5	135.8	155.3	43.7	0	0	0	0	111.5	L76	S74-L76 PolarHBondContact O-N 3.2Å
75	E	36.8	Very low	47.3	Very low	193 Å²	193	125.1 Å²	125.1	90%	0.902	71%	0.709	S	S	*	*			trans	-61.9	118.9	-172.2	-67.2	153.1	147.9	0	0	112.4
76	L	39.4	Very low	49.6	Very low	130 Å²	130	121.8 Å²	121.8	68%	0.681	69%	0.687	S	S	*	*			trans	-138.7	97.5	165.7	-84	170.1	0	0	0	110.7	S74 Q80	S74-L76 PolarHBondContact O-N 3.2Å; L76-Q80 PolarHBondContact O-NE2 3.45Å
77	S	42.5	Very low	51.6	Low	86 Å²	86	119.6 Å²	119.6	60%	0.601	67%	0.668	S	S	*	*			trans	55.3	133.4	145.8	53.7	0	0	0	0	121.1	D79 Q80	S77-D79 PolarHBondContact O-N 2.87Å; S77-Q80 PolarHBondContact O-N 2.92Å
78	D	46.9	Very low	54.3	Low	152 Å²	152	118.6 Å²	118.6	81%	0.813	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.3	11.3	-163.1	-145.5	4.3	0	0	0	116.8
79	D	56.1	Low	57	Low	141 Å²	141	116.1 Å²	116.1	75%	0.754	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.4	-11	176.9	-64.8	-42	0	0	0	112.9	S77 N81	S77-D79 PolarHBondContact O-N 2.87Å; D79-N81 VanDerWaalsContact C-N 3.34Å; D79-N81 PolarHBondContact O-N 3.16Å
80	Q	53.6	Low	59.8	Low	89 Å²	89	114.3 Å²	114.3	42%	0.416	61%	0.607	S	S	.	*	T	Hydrogen-bonded Turn	trans	-82.9	-6.2	-173.3	-60	-170.2	8.7	0	0	114.5	L76 S77 K84	L76-Q80 PolarHBondContact O-NE2 3.45Å; S77-Q80 PolarHBondContact O-N 2.92Å; Q80-K84 WeakPolarHBondContact O-CG 3.38Å
81	N	53.2	Low	62.6	Low	124 Å²	124	110.1 Å²	110.1	66%	0.663	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.8	-20.8	-177.8	-115.6	-6.2	0	0	0	113.4	D79	D79-N81 VanDerWaalsContact C-N 3.34Å; D79-N81 PolarHBondContact O-N 3.16Å
82	E	57.5	Low	65.3	Low	133 Å²	133	109.7 Å²	109.7	62%	0.621	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.4	-35.1	176.1	-164.5	179	160.5	0	0	112	K86	E82-K86 IonicContact OE1-NZ 2.65Å; E82-K86 PolarHBondContact OE1-NZ 3.43Å
83	I	63.5	Low	68.1	Low	131 Å²	131	102.7 Å²	102.7	67%	0.672	54%	0.535	S	S	*	.	G	3₁₀ helix	trans	-74.3	-35.3	-178.3	-57.8	173.7	0	0	0	111	G85 K86	I83-G85 PolarHBondContact O-N 3.48Å; I83-K86 PolarHBondContact O-N 2.96Å; I83-K86 VanDerWaalsContact O-N 3.13Å
84	K	70.8	Confident	70.8	Confident	145 Å²	145	104.6 Å²	104.6	63%	0.63	54%	0.535	S	S	*	.	G	3₁₀ helix	trans	-60.4	-19.1	-178.9	-74	175.8	-176	176.3	0	114.1	Q80	Q80-K84 WeakPolarHBondContact O-CG 3.38Å
85	G	82.5	Confident	73.1	Confident	32 Å²	32	106.9 Å²	106.9	33%	0.33	53%	0.531	S	S	.	.	G	3₁₀ helix	trans	-97.6	-10.5	-180	0	0	0	0	0	115.8	I83 S105 K106	I83-G85 PolarHBondContact O-N 3.48Å; G85-S105 CarbonylContact O-C 3.53Å; G85-S105 VanDerWaalsContact O-CA 3.29Å; G85-S105 WeakPolarHBondContact O-CA 3.18Å; G85-S105 PolarHBondContact O-OG 2.87Å; G85-K106 PolarHBondContact O-N 2.92Å
86	K	86.3	Confident	75.9	Confident	94 Å²	94	99.9 Å²	99.9	41%	0.409	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	141.2	-172.4	-65.8	177	178.5	177.3	0	111	E82 I83 F104	E82-K86 IonicContact OE1-NZ 2.65Å; E82-K86 PolarHBondContact OE1-NZ 3.43Å; I83-K86 PolarHBondContact O-N 2.96Å; I83-K86 VanDerWaalsContact O-N 3.13Å; K86-F104 CarbonylContact C-O 3.5Å; K86-F104 WeakPolarHBondContact CA-O 3.38Å
87	M	89.4	Confident	78.6	Confident	70 Å²	70	97.4 Å²	97.4	35%	0.345	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	150.9	175	-73.7	-75.1	-164.5	0	0	108.4	Y103 F104 K106	M87-Y103 CarbonylContact O-C 3.23Å; M87-Y103 VanDerWaalsContact O-CA 3.27Å; M87-Y103 WeakPolarHBondContact O-CA 3.34Å; M87-F104 HydrophobicContact CB-CD1 4.49Å; M87-F104 HydrophobicContact CB-CD2 4.01Å; M87-F104 HydrophobicContact CB-CE1 4.1Å; M87-F104 HydrophobicContact CB-CE2 3.62Å; M87-F104 HydrophobicContact CB-CG 4.42Å; M87-F104 HydrophobicContact CB-CZ 3.68Å; M87-F104 HydrophobicContact CG-CE2 4.29Å; M87-F104 PolarHBondContact N-O 3.42Å; M87-F104 PolarHBondContact O-N 3.39Å; M87-K106 HydrophobicContact CE-CB 4.15Å; M87-K106 HydrophobicContact CE-CD 3.76Å; M87-K106 HydrophobicContact CE-CG 3.62Å; M87-K106 HydrophobicContact CG-CB 3.86Å; M87-K106 HydrophobicContact CG-CG 4.36Å
88	Y	91.5	Very high	81.2	Confident	114 Å²	114	95.9 Å²	95.9	45%	0.447	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	137.4	175.3	174.9	-101.3	0	0	0	109.7	E90 S101 Y103	Y88-E90 HydrophobicContact CE1-CB 4.02Å; Y88-S101 WeakPolarHBondContact OH-CB 3.47Å; Y88-Y103 HydrophobicContact CD2-CD1 4.1Å; Y88-Y103 HydrophobicContact CD2-CD2 4.44Å; Y88-Y103 AromaticContact CD2-CE1 3.63Å; Y88-Y103 HydrophobicContact CD2-CE1 3.63Å; Y88-Y103 AromaticContact CD2-CE2 3.99Å; Y88-Y103 HydrophobicContact CD2-CE2 3.99Å; Y88-Y103 HydrophobicContact CD2-CG 4.49Å; Y88-Y103 AromaticContact CD2-CZ 3.56Å; Y88-Y103 HydrophobicContact CE2-CE2 4.4Å; Y88-Y103 HydrophobicContact CG-CE1 4.14Å
89	I	93.4	Very high	83.6	Confident	36 Å²	36	96.4 Å²	96.4	19%	0.185	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	142	169	-170.7	167.7	0	0	0	110	S101 K102 F104 I127	I89-S101 VanDerWaalsContact O-CA 3.29Å; I89-S101 WeakPolarHBondContact O-CA 3.28Å; I89-K102 HydrophobicContact CG2-CB 4.41Å; I89-K102 PolarHBondContact N-O 3.39Å; I89-K102 PolarHBondContact O-N 2.96Å; I89-F104 HydrophobicContact CB-CD1 4.48Å; I89-F104 HydrophobicContact CB-CE1 3.49Å; I89-F104 VanDerWaalsContact CB-CE1 3.49Å; I89-F104 HydrophobicContact CB-CZ 4.13Å; I89-F104 HydrophobicContact CG2-CD1 3.88Å; I89-F104 HydrophobicContact CG2-CE1 3.33Å; I89-F104 HydrophobicContact CG2-CZ 4.3Å; I89-I127 HydrophobicContact CD1-CD1 4.17Å; I89-I127 HydrophobicContact CD1-CG1 4.42Å; I89-I127 HydrophobicContact CD1-CG2 3.78Å
90	E	95.1	Very high	85.3	Confident	87 Å²	87	89.9 Å²	89.9	41%	0.407	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	125.7	167.4	-167.9	167.3	-156.4	0	0	108.7	Y88 R99	Y88-E90 HydrophobicContact CE1-CB 4.02Å; E90-R99 VanDerWaalsContact CD-CZ 3.49Å; E90-R99 HydrophobicContact CG-CG 4.08Å; E90-R99 IonicContact OE1-CZ 3.19Å; E90-R99 IonicContact OE1-NE 2.66Å; E90-R99 PolarHBondContact OE1-NE 3.07Å; E90-R99 IonicContact OE1-NH2 3.04Å; E90-R99 PolarHBondContact OE1-NH2 2.8Å; E90-R99 IonicContact OE2-CZ 3.59Å; E90-R99 IonicContact OE2-NE 3.65Å; E90-R99 IonicContact OE2-NH2 2.73Å; E90-R99 PolarHBondContact OE2-NH2 3.23Å
91	F	94.6	Very high	87.2	Confident	27 Å²	27	88.3 Å²	88.3	12%	0.118	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	151.8	-174.5	73.8	-74.8	0	0	0	110.7	R99 S100 K102 I116 C118 H125	F91-R99 WeakPolarHBondContact O-CA 3.43Å; F91-S100 WeakPolarHBondContact CD1-O 3.18Å; F91-S100 VanDerWaalsContact CE1-CB 3.49Å; F91-S100 WeakPolarHBondContact CE1-O 3.03Å; F91-S100 PolarHBondContact N-O 3.36Å; F91-S100 PolarHBondContact O-N 3.43Å; F91-K102 HydrophobicContact CE1-CG 4.47Å; F91-I116 HydrophobicContact CD1-CD1 3.36Å; F91-I116 HydrophobicContact CD2-CD1 4.04Å; F91-I116 HydrophobicContact CE1-CD1 3.08Å; F91-I116 HydrophobicContact CE1-CG1 4.14Å; F91-I116 HydrophobicContact CE2-CD1 3.78Å; F91-I116 HydrophobicContact CE2-CG1 4.42Å; F91-I116 HydrophobicContact CG-CD1 3.85Å; F91-I116 HydrophobicContact CZ-CD1 3.29Å; F91-I116 HydrophobicContact CZ-CG1 3.95Å; F91-C118 HydrophobicContact CE2-CB 4.37Å; F91-C118 HydrophobicContact CZ-CB 4.32Å; F91-H125 AromaticContact CE2-CD2 3.95Å
92	T	96.4	Very high	89.1	Confident	90 Å²	90	85.1 Å²	85.1	55%	0.552	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.9	122.4	173.3	-55.4	0	0	0	0	109.2	K94	T92-K94 PolarHBondContact O-N 2.96Å
93	C	96	Very high	90.6	Very high	2 Å²	2	85.1 Å²	85.1	1%	0.014	42%	0.419	C	S	.	.			trans	-66.1	124.9	179	179.3	0	0	0	0	111.3	K95 A97 T98 C118 C121 H125	C93-K95 PolarHBondContact O-N 2.71Å; C93-K95 PolarHBondContact SG-N 2.98Å; C93-K95 VanDerWaalsContact SG-N 3.38Å; C93-A97 WeakPolarHBondContact O-CA 3.3Å; C93-A97 PolarHBondContact O-N 3.5Å; C93-T98 WeakPolarHBondContact CB-O 3.44Å; C93-T98 PolarHBondContact N-O 3.45Å; C93-C118 HydrophobicContact CB-CB 4.24Å; C93-C118 WeakPolarHBondContact CB-SG 3.45Å; C93-C121 PolarHBondContact SG-SG 2.79Å; C93-H125 PolarHBondContact SG-CE1 2.97Å; C93-H125 PolarHBondContact SG-NE2 3.29Å
94	K	95	Very high	91.8	Very high	211 Å²	211	79.3 Å²	79.3	92%	0.917	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-21.6	177.1	-64.8	-173.8	179.4	-177.4	0	114.3	T92	T92-K94 PolarHBondContact O-N 2.96Å
95	K	94.5	Very high	92.6	Very high	157 Å²	157	74.6 Å²	74.6	68%	0.683	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-45.4	-177.2	-65.2	-174.2	-176.7	172.9	0	113.1	C93	C93-K95 PolarHBondContact O-N 2.71Å; C93-K95 PolarHBondContact SG-N 2.98Å; C93-K95 VanDerWaalsContact SG-N 3.38Å
96	C	96.6	Very high	92.9	Very high	47 Å²	47	77.2 Å²	77.2	32%	0.318	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.2	3	-175.4	62.3	0	0	0	0	114.2	T98 C118 C121	C96-T98 PolarHBondContact O-N 2.92Å; C96-T98 PolarHBondContact O-OG1 2.95Å; C96-T98 PolarHBondContact SG-OG1 2.85Å; C96-C118 VanDerWaalsContact SG-SG 3.64Å; C96-C121 HydrophobicContact CB-CB 3.92Å; C96-C121 PolarHBondContact SG-N 3.37Å; C96-C121 VanDerWaalsContact SG-SG 3.65Å
97	A	96.2	Very high	92.9	Very high	77 Å²	77	76.6 Å²	76.6	64%	0.636	38%	0.377	S	S	*	.			trans	57.1	8	-176.4	0	0	0	0	0	115.5	C93 R99	C93-A97 WeakPolarHBondContact O-CA 3.3Å; C93-A97 PolarHBondContact O-N 3.5Å; A97-R99 PolarHBondContact O-N 3.21Å
98	T	96.7	Very high	92.7	Very high	54 Å²	54	73.3 Å²	73.3	33%	0.331	36%	0.361	S	S	.	.			trans	-71.8	128.9	176.5	-46.8	0	0	0	0	110.2	C93 C96	C93-T98 WeakPolarHBondContact CB-O 3.44Å; C93-T98 PolarHBondContact N-O 3.45Å; C96-T98 PolarHBondContact O-N 2.92Å; C96-T98 PolarHBondContact O-OG1 2.95Å; C96-T98 PolarHBondContact SG-OG1 2.85Å
99	R	96.2	Very high	92.7	Very high	164 Å²	164	73.2 Å²	73.2	62%	0.619	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.4	128.4	170.2	-172.6	172.6	174.6	167.4	-0.9	108.8	E90 F91 A97	E90-R99 VanDerWaalsContact CD-CZ 3.49Å; E90-R99 HydrophobicContact CG-CG 4.08Å; E90-R99 IonicContact OE1-CZ 3.19Å; E90-R99 IonicContact OE1-NE 2.66Å; E90-R99 PolarHBondContact OE1-NE 3.07Å; E90-R99 IonicContact OE1-NH2 3.04Å; E90-R99 PolarHBondContact OE1-NH2 2.8Å; E90-R99 IonicContact OE2-CZ 3.59Å; E90-R99 IonicContact OE2-NE 3.65Å; E90-R99 IonicContact OE2-NH2 2.73Å; E90-R99 PolarHBondContact OE2-NH2 3.23Å; F91-R99 WeakPolarHBondContact O-CA 3.43Å; A97-R99 PolarHBondContact O-N 3.21Å
100	S	92.9	Very high	92.5	Very high	4 Å²	4	75.9 Å²	75.9	3%	0.028	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	144	179.6	-68	0	0	0	0	109.6	F91 D119	F91-S100 WeakPolarHBondContact CD1-O 3.18Å; F91-S100 VanDerWaalsContact CE1-CB 3.49Å; F91-S100 WeakPolarHBondContact CE1-O 3.03Å; F91-S100 PolarHBondContact N-O 3.36Å; F91-S100 PolarHBondContact O-N 3.43Å; S100-D119 WeakPolarHBondContact CB-OD2 3.39Å; S100-D119 PolarHBondContact OG-N 3.39Å; S100-D119 PolarHBondContact OG-OD2 3.06Å
101	S	93.6	Very high	92.2	Very high	56 Å²	56	78.7 Å²	78.7	39%	0.392	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	139.8	175.8	55.7	0	0	0	0	110.2	Y88 I89	Y88-S101 WeakPolarHBondContact OH-CB 3.47Å; I89-S101 VanDerWaalsContact O-CA 3.29Å; I89-S101 WeakPolarHBondContact O-CA 3.28Å
102	K	91.8	Very high	91.6	Very high	56 Å²	56	77.5 Å²	77.5	24%	0.243	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	150.4	-178.4	-61.6	-64.7	169.2	-156.8	0	110.9	I89 F91 D119	I89-K102 HydrophobicContact CG2-CB 4.41Å; I89-K102 PolarHBondContact N-O 3.39Å; I89-K102 PolarHBondContact O-N 2.96Å; F91-K102 HydrophobicContact CE1-CG 4.47Å; K102-D119 WeakPolarHBondContact CE-OD1 3.4Å; K102-D119 WeakPolarHBondContact CE-OD2 3.42Å; K102-D119 IonicContact NZ-OD1 2.71Å; K102-D119 PolarHBondContact NZ-OD1 2.96Å; K102-D119 IonicContact NZ-OD2 2.95Å; K102-D119 PolarHBondContact NZ-OD2 3.24Å
103	Y	89.6	Confident	91.1	Very high	134 Å²	134	73.3 Å²	73.3	53%	0.525	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	151.4	168.8	-68.4	-86.2	0	0	0	110.7	M87 Y88	M87-Y103 CarbonylContact O-C 3.23Å; M87-Y103 VanDerWaalsContact O-CA 3.27Å; M87-Y103 WeakPolarHBondContact O-CA 3.34Å; Y88-Y103 HydrophobicContact CD2-CD1 4.1Å; Y88-Y103 HydrophobicContact CD2-CD2 4.44Å; Y88-Y103 AromaticContact CD2-CE1 3.63Å; Y88-Y103 HydrophobicContact CD2-CE1 3.63Å; Y88-Y103 AromaticContact CD2-CE2 3.99Å; Y88-Y103 HydrophobicContact CD2-CE2 3.99Å; Y88-Y103 HydrophobicContact CD2-CG 4.49Å; Y88-Y103 AromaticContact CD2-CZ 3.56Å; Y88-Y103 HydrophobicContact CE2-CE2 4.4Å; Y88-Y103 HydrophobicContact CG-CE1 4.14Å
104	F	88.8	Confident	90.7	Very high	9 Å²	9	73.2 Å²	73.2	4%	0.039	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	159.2	177	54.7	-79.4	0	0	0	112.7	K86 M87 I89 K106 Y109 V114 C158	K86-F104 CarbonylContact C-O 3.5Å; K86-F104 WeakPolarHBondContact CA-O 3.38Å; M87-F104 HydrophobicContact CB-CD1 4.49Å; M87-F104 HydrophobicContact CB-CD2 4.01Å; M87-F104 HydrophobicContact CB-CE1 4.1Å; M87-F104 HydrophobicContact CB-CE2 3.62Å; M87-F104 HydrophobicContact CB-CG 4.42Å; M87-F104 HydrophobicContact CB-CZ 3.68Å; M87-F104 HydrophobicContact CG-CE2 4.29Å; M87-F104 PolarHBondContact N-O 3.42Å; M87-F104 PolarHBondContact O-N 3.39Å; I89-F104 HydrophobicContact CB-CD1 4.48Å; I89-F104 HydrophobicContact CB-CE1 3.49Å; I89-F104 VanDerWaalsContact CB-CE1 3.49Å; I89-F104 HydrophobicContact CB-CZ 4.13Å; I89-F104 HydrophobicContact CG2-CD1 3.88Å; I89-F104 HydrophobicContact CG2-CE1 3.33Å; I89-F104 HydrophobicContact CG2-CZ 4.3Å; F104-K106 PolarHBondContact O-N 3.48Å; F104-Y109 AromaticContact CE2-CD2 3.68Å; F104-Y109 HydrophobicContact CE2-CD2 3.68Å; F104-Y109 AromaticContact CE2-CG 3.91Å; F104-Y109 HydrophobicContact CE2-CG 3.91Å; F104-Y109 HydrophobicContact CZ-CD2 4.24Å; F104-V114 HydrophobicContact CD2-CG1 4.3Å; F104-V114 HydrophobicContact CD2-CG2 4.43Å; F104-V114 HydrophobicContact CG-CG1 4.39Å; F104-C158 HydrophobicContact CB-CB 3.38Å; F104-C158 WeakPolarHBondContact CB-SG 3.3Å; F104-C158 HydrophobicContact CG-CB 4.38Å
105	S	86.7	Confident	90.4	Very high	45 Å²	45	65.3 Å²	65.3	32%	0.315	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	133.6	178.3	-178	0	0	0	0	112	G85 L107 A108 Y109	G85-S105 CarbonylContact O-C 3.53Å; G85-S105 VanDerWaalsContact O-CA 3.29Å; G85-S105 WeakPolarHBondContact O-CA 3.18Å; G85-S105 PolarHBondContact O-OG 2.87Å; S105-L107 PolarHBondContact O-N 3.35Å; S105-L107 PolarHBondContact OG-N 3.14Å; S105-A108 WeakPolarHBondContact O-CB 3.35Å; S105-A108 PolarHBondContact O-N 3.42Å; S105-Y109 PolarHBondContact O-N 3.11Å
106	K	88.9	Confident	90.1	Very high	88 Å²	88	58 Å²	58	38%	0.383	29%	0.288	S	S	.	.	H	α-helix	trans	-51.1	-42.5	169.4	179	173.5	-177.9	175.7	0	111.7	G85 M87 F104 A108 Y109 E110	G85-K106 PolarHBondContact O-N 2.92Å; M87-K106 HydrophobicContact CE-CB 4.15Å; M87-K106 HydrophobicContact CE-CD 3.76Å; M87-K106 HydrophobicContact CE-CG 3.62Å; M87-K106 HydrophobicContact CG-CB 3.86Å; M87-K106 HydrophobicContact CG-CG 4.36Å; F104-K106 PolarHBondContact O-N 3.48Å; K106-A108 VanDerWaalsContact C-N 3.27Å; K106-A108 PolarHBondContact O-N 3.26Å; K106-Y109 PolarHBondContact O-N 2.89Å; K106-E110 WeakPolarHBondContact CE-OE1 3.42Å; K106-E110 HydrophobicContact CG-CG 4.4Å; K106-E110 IonicContact NZ-OE1 3.92Å; K106-E110 PolarHBondContact O-N 3.29Å
107	L	86.9	Confident	89.7	Confident	81 Å²	81	59.9 Å²	59.9	42%	0.424	29%	0.288	S	S	.	.	H	α-helix	trans	-63.9	-30.3	178.8	-67.2	176.5	0	0	0	113.3	S105 K111	S105-L107 PolarHBondContact O-N 3.35Å; S105-L107 PolarHBondContact OG-N 3.14Å; L107-K111 PolarHBondContact O-N 2.81Å
108	A	86.3	Confident	89.6	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-71.3	-37.8	177.2	0	0	0	0	0	111	S105 K106 G112 V114 K160	S105-A108 WeakPolarHBondContact O-CB 3.35Å; S105-A108 PolarHBondContact O-N 3.42Å; K106-A108 VanDerWaalsContact C-N 3.27Å; K106-A108 PolarHBondContact O-N 3.26Å; A108-G112 CarbonylContact O-C 3.58Å; A108-G112 VanDerWaalsContact O-C 3.23Å; A108-G112 WeakPolarHBondContact O-CA 3.14Å; A108-G112 PolarHBondContact O-N 3.3Å; A108-V114 VanDerWaalsContact C-CG2 3.46Å; A108-V114 HydrophobicContact CB-CG2 3.9Å; A108-V114 WeakPolarHBondContact O-CG2 3.32Å; A108-K160 HydrophobicContact CB-CB 4.16Å; A108-K160 HydrophobicContact CB-CG 4.44Å
109	Y	90.5	Very high	89.3	Confident	112 Å²	112	58.1 Å²	58.1	44%	0.439	27%	0.266	S	S	.	.	H	α-helix	trans	-70.5	-38.9	176.8	-172.9	-95.5	0	0	0	113.2	F104 S105 K106 I127 A128 N130	F104-Y109 AromaticContact CE2-CD2 3.68Å; F104-Y109 HydrophobicContact CE2-CD2 3.68Å; F104-Y109 AromaticContact CE2-CG 3.91Å; F104-Y109 HydrophobicContact CE2-CG 3.91Å; F104-Y109 HydrophobicContact CZ-CD2 4.24Å; S105-Y109 PolarHBondContact O-N 3.11Å; K106-Y109 PolarHBondContact O-N 2.89Å; Y109-I127 HydrophobicContact CD2-CG2 4.39Å; Y109-I127 HydrophobicContact CE2-CG2 4.13Å; Y109-A128 HydrophobicContact CD2-CB 3.87Å; Y109-A128 HydrophobicContact CE2-CB 4.15Å; Y109-N130 PolarHBondContact O-ND2 2.65Å
110	E	90.3	Very high	89.2	Confident	92 Å²	92	52.2 Å²	52.2	43%	0.43	26%	0.257	S	S	.	.	H	α-helix	trans	-81.8	-37.8	-177.4	-70.7	177.4	174.1	0	0	113.7	K106 N130	K106-E110 WeakPolarHBondContact CE-OE1 3.42Å; K106-E110 HydrophobicContact CG-CG 4.4Å; K106-E110 IonicContact NZ-OE1 3.92Å; K106-E110 PolarHBondContact O-N 3.29Å; E110-N130 PolarHBondContact O-ND2 2.93Å
111	K	86.8	Confident	89.2	Confident	146 Å²	146	54.3 Å²	54.3	64%	0.635	27%	0.271	S	S	*	.	H	α-helix	trans	-121.9	-2.1	-170.2	-63.3	-178.8	-180	176.1	0	114.2	L107 L131	L107-K111 PolarHBondContact O-N 2.81Å; K111-L131 WeakPolarHBondContact O-CD2 3.37Å
112	G	83.9	Confident	89	Confident	2 Å²	2	58.3 Å²	58.3	2%	0.021	28%	0.283	C	S	.	.	S	Bend	trans	-130	-155.8	-168.4	0	0	0	0	0	113.8	A108 N130	A108-G112 CarbonylContact O-C 3.58Å; A108-G112 VanDerWaalsContact O-C 3.23Å; A108-G112 WeakPolarHBondContact O-CA 3.14Å; A108-G112 PolarHBondContact O-N 3.3Å; G112-N130 PolarHBondContact O-N 3.01Å; G112-N130 VanDerWaalsContact O-N 3.07Å
113	I	85.5	Confident	88.7	Confident	3 Å²	3	56.6 Å²	56.6	2%	0.015	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	136.5	172.6	-60.9	157.9	0	0	0	106.4	I115 L126 A128 L131 W133 V159 V161	I113-I115 HydrophobicContact CG2-CD1 4.21Å; I113-I115 HydrophobicContact CG2-CG1 3.98Å; I113-L126 HydrophobicContact CG2-CD1 3.59Å; I113-A128 CarbonylContact C-O 3.55Å; I113-A128 VanDerWaalsContact CA-O 3.27Å; I113-A128 WeakPolarHBondContact CA-O 3.34Å; I113-L131 HydrophobicContact CD1-CB 4.04Å; I113-L131 HydrophobicContact CD1-CD1 3.88Å; I113-L131 HydrophobicContact CD1-CG 4.38Å; I113-L131 HydrophobicContact CG1-CB 4Å; I113-L131 HydrophobicContact CG1-CD1 3.98Å; I113-L131 HydrophobicContact CG1-CG 4.14Å; I113-W133 HydrophobicContact CD1-CB 3.47Å; I113-W133 VanDerWaalsContact CD1-CB 3.47Å; I113-W133 HydrophobicContact CD1-CD2 3.85Å; I113-W133 HydrophobicContact CD1-CE3 3.9Å; I113-W133 HydrophobicContact CD1-CG 3.67Å; I113-W133 HydrophobicContact CG1-CB 4.13Å; I113-V159 VanDerWaalsContact O-O 3.07Å; I113-V161 HydrophobicContact CD1-CB 4.36Å
114	V	87.1	Confident	88.7	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	112.7	178.5	178.7	0	0	0	0	108.2	F104 A108 I116 I127 A128 C158	F104-V114 HydrophobicContact CD2-CG1 4.3Å; F104-V114 HydrophobicContact CD2-CG2 4.43Å; F104-V114 HydrophobicContact CG-CG1 4.39Å; A108-V114 VanDerWaalsContact C-CG2 3.46Å; A108-V114 HydrophobicContact CB-CG2 3.9Å; A108-V114 WeakPolarHBondContact O-CG2 3.32Å; V114-I116 HydrophobicContact CG1-CG2 4.37Å; V114-I127 HydrophobicContact CB-CB 4.13Å; V114-I127 HydrophobicContact CG1-CB 3.86Å; V114-I127 HydrophobicContact CG1-CG1 4.31Å; V114-I127 HydrophobicContact CG1-CG2 4.36Å; V114-I127 PolarHBondContact O-N 3.24Å; V114-A128 HydrophobicContact CB-CB 4.07Å; V114-A128 HydrophobicContact CG2-CB 4.06Å; V114-A128 PolarHBondContact N-O 3.46Å; V114-C158 HydrophobicContact CG1-CB 3.8Å; V114-C158 WeakPolarHBondContact CG1-SG 3.49Å
115	I	89.4	Confident	88.7	Confident	44 Å²	44	54.4 Å²	54.4	23%	0.226	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	124.7	174.8	-58.7	169.1	0	0	0	107.8	I113 L124 H125 L126 I149	I113-I115 HydrophobicContact CG2-CD1 4.21Å; I113-I115 HydrophobicContact CG2-CG1 3.98Å; I115-L124 HydrophobicContact CG2-CB 3.76Å; I115-L124 HydrophobicContact CG2-CD1 4.35Å; I115-L124 HydrophobicContact CG2-CD2 4.04Å; I115-L124 HydrophobicContact CG2-CG 4.25Å; I115-H125 WeakPolarHBondContact CA-O 3.29Å; I115-L126 HydrophobicContact CG1-CD1 3.89Å; I115-I149 HydrophobicContact CD1-CD1 4.4Å
116	I	87.7	Confident	88.8	Confident	5 Å²	5	55.6 Å²	55.6	3%	0.026	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	148.9	177	62.3	-179.8	0	0	0	111	F91 V114 L124 H125 I127 C158	F91-I116 HydrophobicContact CD1-CD1 3.36Å; F91-I116 HydrophobicContact CD2-CD1 4.04Å; F91-I116 HydrophobicContact CE1-CD1 3.08Å; F91-I116 HydrophobicContact CE1-CG1 4.14Å; F91-I116 HydrophobicContact CE2-CD1 3.78Å; F91-I116 HydrophobicContact CE2-CG1 4.42Å; F91-I116 HydrophobicContact CG-CD1 3.85Å; F91-I116 HydrophobicContact CZ-CD1 3.29Å; F91-I116 HydrophobicContact CZ-CG1 3.95Å; V114-I116 HydrophobicContact CG1-CG2 4.37Å; I116-L124 CarbonylContact O-C 3.55Å; I116-L124 WeakPolarHBondContact O-CA 3.46Å; I116-H125 HydrophobicContact CG1-CB 3.9Å; I116-H125 PolarHBondContact N-O 3.1Å; I116-H125 PolarHBondContact O-N 3.05Å; I116-I127 HydrophobicContact CD1-CD1 3.49Å; I116-I127 VanDerWaalsContact CD1-CD1 3.49Å; I116-I127 HydrophobicContact CD1-CG1 3.55Å; I116-I127 HydrophobicContact CG1-CD1 3.97Å; I116-I127 HydrophobicContact CG1-CG1 3.74Å; I116-I127 HydrophobicContact CG2-CG1 4.12Å; I116-C158 WeakPolarHBondContact CG2-SG 3.07Å
117	R	88.8	Confident	88.9	Confident	86 Å²	86	53.9 Å²	53.9	33%	0.325	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	129.5	170.8	-166.7	179.4	-63.4	176.5	5.7	109	Q122 L124 I149	R117-Q122 WeakPolarHBondContact CG-O 3.28Å; R117-L124 HydrophobicContact CB-CD2 4.05Å; R117-L124 HydrophobicContact CG-CD2 4.28Å; R117-I149 PolarHBondContact NH2-O 3.09Å
118	C	92.4	Very high	89.1	Confident	1 Å²	1	50.5 Å²	50.5	1%	0.007	26%	0.255	C	S	.	.			trans	-72.8	138.1	171.2	173.3	0	0	0	0	110.8	F91 C93 C96 G120 Q122 S123 H125	F91-C118 HydrophobicContact CE2-CB 4.37Å; F91-C118 HydrophobicContact CZ-CB 4.32Å; C93-C118 HydrophobicContact CB-CB 4.24Å; C93-C118 WeakPolarHBondContact CB-SG 3.45Å; C96-C118 VanDerWaalsContact SG-SG 3.64Å; C118-G120 VanDerWaalsContact C-N 3.34Å; C118-G120 PolarHBondContact SG-N 2.85Å; C118-G120 VanDerWaalsContact SG-N 3.36Å; C118-Q122 WeakPolarHBondContact O-CA 3.45Å; C118-Q122 PolarHBondContact O-N 3.26Å; C118-S123 PolarHBondContact N-O 3.32Å; C118-H125 WeakPolarHBondContact CB-NE2 3.47Å
119	D	91.4	Very high	89.2	Confident	92 Å²	92	52.2 Å²	52.2	49%	0.492	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-25.3	-179.6	-61.1	-45.4	0	0	0	113.2	S100 K102	S100-D119 WeakPolarHBondContact CB-OD2 3.39Å; S100-D119 PolarHBondContact OG-N 3.39Å; S100-D119 PolarHBondContact OG-OD2 3.06Å; K102-D119 WeakPolarHBondContact CE-OD1 3.4Å; K102-D119 WeakPolarHBondContact CE-OD2 3.42Å; K102-D119 IonicContact NZ-OD1 2.71Å; K102-D119 PolarHBondContact NZ-OD1 2.96Å; K102-D119 IonicContact NZ-OD2 2.95Å; K102-D119 PolarHBondContact NZ-OD2 3.24Å
120	G	93.5	Very high	89.1	Confident	41 Å²	41	51 Å²	51	42%	0.423	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-67.4	177.9	0	0	0	0	0	113.2	C118	C118-G120 VanDerWaalsContact C-N 3.34Å; C118-G120 PolarHBondContact SG-N 2.85Å; C118-G120 VanDerWaalsContact SG-N 3.36Å
121	C	93.1	Very high	88.7	Confident	48 Å²	48	48.6 Å²	48.6	32%	0.324	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-1	-175	62.8	0	0	0	0	115	C93 C96 S123	C93-C121 PolarHBondContact SG-SG 2.79Å; C96-C121 HydrophobicContact CB-CB 3.92Å; C96-C121 PolarHBondContact SG-N 3.37Å; C96-C121 VanDerWaalsContact SG-SG 3.65Å; C121-S123 PolarHBondContact O-N 3.47Å; C121-S123 VanDerWaalsContact SG-CB 3.56Å; C121-S123 PolarHBondContact SG-OG 3.06Å
122	Q	88.7	Confident	88.4	Confident	140 Å²	140	42.3 Å²	42.3	65%	0.654	23%	0.231	S	C	*	.			trans	55.8	11.6	-173.9	-58.4	-171	-9.8	0	0	115.2	R117 C118	R117-Q122 WeakPolarHBondContact CG-O 3.28Å; C118-Q122 WeakPolarHBondContact O-CA 3.45Å; C118-Q122 PolarHBondContact O-N 3.26Å
123	S	87.2	Confident	88	Confident	19 Å²	19	43.6 Å²	43.6	13%	0.133	24%	0.236	C	C	.	.			trans	-78.2	146.7	-179.9	93.4	0	0	0	0	111	C118 C121 H125	C118-S123 PolarHBondContact N-O 3.32Å; C121-S123 PolarHBondContact O-N 3.47Å; C121-S123 VanDerWaalsContact SG-CB 3.56Å; C121-S123 PolarHBondContact SG-OG 3.06Å; S123-H125 PolarHBondContact O-CD2 3.01Å; S123-H125 VanDerWaalsContact O-CD2 3.24Å; S123-H125 PolarHBondContact OG-CE1 3.11Å; S123-H125 PolarHBondContact OG-NE2 3.37Å; S123-H125 VanDerWaalsContact OG-NE2 3.08Å
124	L	88.4	Confident	87.4	Confident	64 Å²	64	48.5 Å²	48.5	34%	0.335	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	129.2	178	-62.8	176.9	0	0	0	109.9	I115 I116 R117 I149	I115-L124 HydrophobicContact CG2-CB 3.76Å; I115-L124 HydrophobicContact CG2-CD1 4.35Å; I115-L124 HydrophobicContact CG2-CD2 4.04Å; I115-L124 HydrophobicContact CG2-CG 4.25Å; I116-L124 CarbonylContact O-C 3.55Å; I116-L124 WeakPolarHBondContact O-CA 3.46Å; R117-L124 HydrophobicContact CB-CD2 4.05Å; R117-L124 HydrophobicContact CG-CD2 4.28Å; L124-I149 HydrophobicContact CD1-CD1 4.18Å; L124-I149 HydrophobicContact CD1-CG2 4.05Å; L124-I149 HydrophobicContact CD2-CG2 4.08Å
125	H	88.5	Confident	86.9	Confident	34 Å²	34	57 Å²	57	16%	0.157	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	129.7	175.9	-60.8	-82.5	0	0	0	109.1	F91 C93 I115 I116 C118 S123	F91-H125 AromaticContact CE2-CD2 3.95Å; C93-H125 PolarHBondContact SG-CE1 2.97Å; C93-H125 PolarHBondContact SG-NE2 3.29Å; I115-H125 WeakPolarHBondContact CA-O 3.29Å; I116-H125 HydrophobicContact CG1-CB 3.9Å; I116-H125 PolarHBondContact N-O 3.1Å; I116-H125 PolarHBondContact O-N 3.05Å; C118-H125 WeakPolarHBondContact CB-NE2 3.47Å; S123-H125 PolarHBondContact O-CD2 3.01Å; S123-H125 VanDerWaalsContact O-CD2 3.24Å; S123-H125 PolarHBondContact OG-CE1 3.11Å; S123-H125 PolarHBondContact OG-NE2 3.37Å; S123-H125 VanDerWaalsContact OG-NE2 3.08Å
126	L	89.8	Confident	86.1	Confident	70 Å²	70	59.8 Å²	59.8	37%	0.366	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	129.4	171.8	-178.7	75.2	0	0	0	109.3	I113 I115 A128 D129 I134	I113-L126 HydrophobicContact CG2-CD1 3.59Å; I115-L126 HydrophobicContact CG1-CD1 3.89Å; L126-A128 WeakPolarHBondContact CD1-O 3.21Å; L126-D129 HydrophobicContact CD1-CB 4.31Å; L126-D129 HydrophobicContact CD2-CB 3.77Å; L126-D129 HydrophobicContact CG-CB 4.48Å; L126-I134 HydrophobicContact CD2-CD1 3.15Å; L126-I134 HydrophobicContact CD2-CG1 3.91Å
127	I	91.6	Very high	85.1	Confident	52 Å²	52	67.2 Å²	67.2	27%	0.267	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	-44.6	178.1	-59.3	-53.6	0	0	0	111.8	I89 Y109 V114 I116	I89-I127 HydrophobicContact CD1-CD1 4.17Å; I89-I127 HydrophobicContact CD1-CG1 4.42Å; I89-I127 HydrophobicContact CD1-CG2 3.78Å; Y109-I127 HydrophobicContact CD2-CG2 4.39Å; Y109-I127 HydrophobicContact CE2-CG2 4.13Å; V114-I127 HydrophobicContact CB-CB 4.13Å; V114-I127 HydrophobicContact CG1-CB 3.86Å; V114-I127 HydrophobicContact CG1-CG1 4.31Å; V114-I127 HydrophobicContact CG1-CG2 4.36Å; V114-I127 PolarHBondContact O-N 3.24Å; I116-I127 HydrophobicContact CD1-CD1 3.49Å; I116-I127 VanDerWaalsContact CD1-CD1 3.49Å; I116-I127 HydrophobicContact CD1-CG1 3.55Å; I116-I127 HydrophobicContact CG1-CD1 3.97Å; I116-I127 HydrophobicContact CG1-CG1 3.74Å; I116-I127 HydrophobicContact CG2-CG1 4.12Å
128	A	90.2	Very high	83.9	Confident	10 Å²	10	66.6 Å²	66.6	8%	0.083	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	139	178.7	0	0	0	0	0	110	Y109 I113 V114 L126	Y109-A128 HydrophobicContact CD2-CB 3.87Å; Y109-A128 HydrophobicContact CE2-CB 4.15Å; I113-A128 CarbonylContact C-O 3.55Å; I113-A128 VanDerWaalsContact CA-O 3.27Å; I113-A128 WeakPolarHBondContact CA-O 3.34Å; V114-A128 HydrophobicContact CB-CB 4.07Å; V114-A128 HydrophobicContact CG2-CB 4.06Å; V114-A128 PolarHBondContact N-O 3.46Å; L126-A128 WeakPolarHBondContact CD1-O 3.21Å
129	D	88.8	Confident	82.5	Confident	35 Å²	35	74.1 Å²	74.1	19%	0.187	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	85.1	172.8	176.2	19.2	0	0	0	109.4	L126 L131 G132 W133 I134	L126-D129 HydrophobicContact CD1-CB 4.31Å; L126-D129 HydrophobicContact CD2-CB 3.77Å; L126-D129 HydrophobicContact CG-CB 4.48Å; D129-L131 VanDerWaalsContact C-N 3.34Å; D129-L131 PolarHBondContact OD1-N 3.43Å; D129-G132 PolarHBondContact OD1-N 3.2Å; D129-G132 VanDerWaalsContact OD1-N 3.07Å; D129-W133 VanDerWaalsContact CG-N 3.34Å; D129-W133 VanDerWaalsContact OD1-CB 3.29Å; D129-W133 WeakPolarHBondContact OD1-CB 3.43Å; D129-W133 PolarHBondContact OD1-N 3.46Å; D129-W133 PolarHBondContact OD2-N 3.29Å; D129-I134 PolarHBondContact OD2-N 3.21Å
130	N	87.5	Confident	80.9	Confident	88 Å²	88	75.1 Å²	75.1	47%	0.471	38%	0.379	S	S	.	.	S	Bend	trans	-92.7	-2.4	178.6	-58.8	-9.5	0	0	0	111.9	Y109 E110 G112	Y109-N130 PolarHBondContact O-ND2 2.65Å; E110-N130 PolarHBondContact O-ND2 2.93Å; G112-N130 PolarHBondContact O-N 3.01Å; G112-N130 VanDerWaalsContact O-N 3.07Å
131	L	82.7	Confident	79.4	Confident	41 Å²	41	74 Å²	74	22%	0.215	36%	0.364	C	S	.	.	S	Bend	trans	-97.5	-5.4	-179.3	-65	-176.9	0	0	0	113.3	K111 I113 D129 W133 V161	K111-L131 WeakPolarHBondContact O-CD2 3.37Å; I113-L131 HydrophobicContact CD1-CB 4.04Å; I113-L131 HydrophobicContact CD1-CD1 3.88Å; I113-L131 HydrophobicContact CD1-CG 4.38Å; I113-L131 HydrophobicContact CG1-CB 4Å; I113-L131 HydrophobicContact CG1-CD1 3.98Å; I113-L131 HydrophobicContact CG1-CG 4.14Å; D129-L131 VanDerWaalsContact C-N 3.34Å; D129-L131 PolarHBondContact OD1-N 3.43Å; L131-W133 VanDerWaalsContact C-N 3.34Å; L131-V161 WeakPolarHBondContact CD1-O 3.31Å
132	G	81.2	Confident	77.7	Confident	13 Å²	13	74.4 Å²	74.4	13%	0.134	37%	0.365	C	S	.	.			trans	77.3	21.5	-177.1	0	0	0	0	0	113.1	D129 I134 K135 D136	D129-G132 PolarHBondContact OD1-N 3.2Å; D129-G132 VanDerWaalsContact OD1-N 3.07Å; G132-I134 VanDerWaalsContact C-N 3.28Å; G132-I134 PolarHBondContact O-N 3.16Å; G132-K135 PolarHBondContact O-N 3.45Å; G132-K135 VanDerWaalsContact O-N 3.09Å; G132-D136 WeakPolarHBondContact O-CB 3.2Å; G132-D136 PolarHBondContact O-N 3.22Å
133	W	73.7	Confident	76.1	Confident	30 Å²	30	74 Å²	74	11%	0.114	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-41.9	-175.6	-171.3	-100.6	0	0	0	113.3	I113 D129 L131 H138 V141 V142 F145 H166	I113-W133 HydrophobicContact CD1-CB 3.47Å; I113-W133 VanDerWaalsContact CD1-CB 3.47Å; I113-W133 HydrophobicContact CD1-CD2 3.85Å; I113-W133 HydrophobicContact CD1-CE3 3.9Å; I113-W133 HydrophobicContact CD1-CG 3.67Å; I113-W133 HydrophobicContact CG1-CB 4.13Å; D129-W133 VanDerWaalsContact CG-N 3.34Å; D129-W133 VanDerWaalsContact OD1-CB 3.29Å; D129-W133 WeakPolarHBondContact OD1-CB 3.43Å; D129-W133 PolarHBondContact OD1-N 3.46Å; D129-W133 PolarHBondContact OD2-N 3.29Å; L131-W133 VanDerWaalsContact C-N 3.34Å; W133-H138 HydrophobicContact CH2-CB 4.47Å; W133-H138 HydrophobicContact CZ3-CB 4.41Å; W133-V141 HydrophobicContact CH2-CB 3.79Å; W133-V141 HydrophobicContact CH2-CG1 4.06Å; W133-V141 HydrophobicContact CH2-CG2 4.44Å; W133-V141 HydrophobicContact CZ2-CB 3.86Å; W133-V141 HydrophobicContact CZ2-CG1 4.36Å; W133-V142 HydrophobicContact CZ2-CG2 4.44Å; W133-F145 HydrophobicContact CH2-CD2 4.04Å; W133-F145 AromaticContact CH2-CE2 3.47Å; W133-F145 HydrophobicContact CH2-CE2 3.47Å; W133-F145 VanDerWaalsContact CH2-CE2 3.47Å; W133-F145 HydrophobicContact CH2-CZ 4.39Å; W133-F145 AromaticContact CZ2-CD2 3.69Å; W133-F145 HydrophobicContact CZ2-CD2 3.69Å; W133-F145 AromaticContact CZ2-CE2 3.63Å; W133-F145 HydrophobicContact CZ2-CE2 3.63Å; W133-F145 HydrophobicContact CZ3-CE2 4.47Å; W133-H166 AromaticContact CH2-CE1 3.13Å; W133-H166 WeakPolarHBondContact CH2-CE1 3.23Å; W133-H166 AromaticContact CH2-ND1 3.69Å; W133-H166 AromaticContact CZ3-CE1 3.02Å; W133-H166 WeakPolarHBondContact CZ3-CE1 3.48Å; W133-H166 AromaticContact CZ3-ND1 3.61Å; W133-H166 AromaticContact CZ3-NE2 3.53Å
134	I	73.9	Confident	74.7	Confident	105 Å²	105	75 Å²	75	54%	0.538	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-40.9	176.5	-66.1	-167.2	0	0	0	111.1	L126 D129 G132 D136 K137	L126-I134 HydrophobicContact CD2-CD1 3.15Å; L126-I134 HydrophobicContact CD2-CG1 3.91Å; D129-I134 PolarHBondContact OD2-N 3.21Å; G132-I134 VanDerWaalsContact C-N 3.28Å; G132-I134 PolarHBondContact O-N 3.16Å; I134-D136 PolarHBondContact O-N 3Å; I134-K137 PolarHBondContact O-N 3.33Å
135	K	75.9	Confident	73.3	Confident	180 Å²	180	73.1 Å²	73.1	78%	0.783	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-42	-173.7	-64.4	-176.2	-177.8	179.9	0	112.1	G132 K137	G132-K135 PolarHBondContact O-N 3.45Å; G132-K135 VanDerWaalsContact O-N 3.09Å; K135-K137 PolarHBondContact O-N 2.79Å
136	D	72.8	Confident	71.5	Confident	101 Å²	101	74 Å²	74	54%	0.54	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	11	-175.5	-63.3	-17.4	0	0	0	113	G132 I134 H138	G132-D136 WeakPolarHBondContact O-CB 3.2Å; G132-D136 PolarHBondContact O-N 3.22Å; I134-D136 PolarHBondContact O-N 3Å; D136-H138 PolarHBondContact O-N 3.37Å
137	K	67.1	Low	69.7	Low	162 Å²	162	77.9 Å²	77.9	70%	0.704	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	25.2	-176.8	-59.1	176.5	-177.1	174.4	0	113.2	I134 K135 W139	I134-K137 PolarHBondContact O-N 3.33Å; K135-K137 PolarHBondContact O-N 2.79Å; K137-W139 PolarHBondContact O-N 3.29Å
138	H	64	Low	68	Low	72 Å²	72	78.1 Å²	78.1	33%	0.333	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	12	176.9	-124.1	-83.2	0	0	0	112.8	W133 D136 L140 V141	W133-H138 HydrophobicContact CH2-CB 4.47Å; W133-H138 HydrophobicContact CZ3-CB 4.41Å; D136-H138 PolarHBondContact O-N 3.37Å; H138-L140 PolarHBondContact O-N 3.5Å; H138-L140 VanDerWaalsContact O-N 3.09Å; H138-V141 VanDerWaalsContact CE1-CG2 3.49Å; H138-V141 WeakPolarHBondContact CE1-CG2 3.23Å; H138-V141 WeakPolarHBondContact ND1-CG2 3.07Å; H138-V141 WeakPolarHBondContact O-CB 3.47Å; H138-V141 PolarHBondContact O-N 3.26Å
139	W	61.7	Low	66.5	Low	159 Å²	159	78.8 Å²	78.8	60%	0.602	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-25	177.8	73.4	-91.2	0	0	0	113.3	K137 V141 V142	K137-W139 PolarHBondContact O-N 3.29Å; W139-V141 PolarHBondContact O-N 3.42Å; W139-V141 VanDerWaalsContact O-N 3.15Å; W139-V142 WeakPolarHBondContact O-CB 3.38Å; W139-V142 WeakPolarHBondContact O-CG2 2.87Å; W139-V142 PolarHBondContact O-N 3.39Å
140	L	59.7	Low	64.7	Low	113 Å²	113	80.7 Å²	80.7	59%	0.592	41%	0.405	S	S	*	.	H	α-helix	trans	-55.6	-31	172.7	-68	172.9	0	0	0	112.2	H138 V142	H138-L140 PolarHBondContact O-N 3.5Å; H138-L140 VanDerWaalsContact O-N 3.09Å; L140-V142 VanDerWaalsContact C-N 3.31Å
141	V	60.4	Low	62.9	Low	19 Å²	19	83 Å²	83	12%	0.115	42%	0.417	C	S	.	.	H	α-helix	trans	-80.2	-16.3	178.8	-162.9	0	0	0	0	111.4	W133 H138 W139 L143 S144 F145	W133-V141 HydrophobicContact CH2-CB 3.79Å; W133-V141 HydrophobicContact CH2-CG1 4.06Å; W133-V141 HydrophobicContact CH2-CG2 4.44Å; W133-V141 HydrophobicContact CZ2-CB 3.86Å; W133-V141 HydrophobicContact CZ2-CG1 4.36Å; H138-V141 VanDerWaalsContact CE1-CG2 3.49Å; H138-V141 WeakPolarHBondContact CE1-CG2 3.23Å; H138-V141 WeakPolarHBondContact ND1-CG2 3.07Å; H138-V141 WeakPolarHBondContact O-CB 3.47Å; H138-V141 PolarHBondContact O-N 3.26Å; W139-V141 PolarHBondContact O-N 3.42Å; W139-V141 VanDerWaalsContact O-N 3.15Å; V141-L143 PolarHBondContact O-N 2.7Å; V141-S144 CarbonylContact O-C 3.55Å; V141-S144 WeakPolarHBondContact O-CA 3.4Å; V141-S144 VanDerWaalsContact O-CB 3.31Å; V141-S144 WeakPolarHBondContact O-CB 3.37Å; V141-S144 PolarHBondContact O-N 2.97Å; V141-F145 HydrophobicContact CB-CD2 4.28Å; V141-F145 HydrophobicContact CB-CE2 4.23Å; V141-F145 HydrophobicContact CG1-CD2 3.67Å; V141-F145 HydrophobicContact CG1-CE2 3.38Å; V141-F145 HydrophobicContact CG1-CZ 4.49Å; V141-F145 VanDerWaalsContact O-CD2 3.23Å; V141-F145 WeakPolarHBondContact O-CD2 3.46Å; V141-F145 PolarHBondContact O-N 3.21Å
142	V	58.9	Low	61.4	Low	56 Å²	56	87.9 Å²	87.9	34%	0.339	43%	0.434	S	S	.	.	H	α-helix	trans	-60.7	-33.1	176.3	179.9	0	0	0	0	111.1	W133 W139 L140 S144 F145 C146	W133-V142 HydrophobicContact CZ2-CG2 4.44Å; W139-V142 WeakPolarHBondContact O-CB 3.38Å; W139-V142 WeakPolarHBondContact O-CG2 2.87Å; W139-V142 PolarHBondContact O-N 3.39Å; L140-V142 VanDerWaalsContact C-N 3.31Å; V142-S144 VanDerWaalsContact C-N 3.3Å; V142-S144 PolarHBondContact O-N 3.15Å; V142-F145 CarbonylContact O-C 3.55Å; V142-F145 PolarHBondContact O-N 3.24Å; V142-C146 PolarHBondContact O-N 2.79Å; V142-C146 PolarHBondContact O-SG 3.05Å
143	L	54.8	Low	59.9	Low	131 Å²	131	97.9 Å²	97.9	69%	0.686	47%	0.467	S	S	*	.	H	α-helix	trans	-63.2	-38	172.8	-67.4	175.5	0	0	0	112.1	V141	V141-L143 PolarHBondContact O-N 2.7Å
144	S	56.3	Low	58.4	Low	41 Å²	41	106.1 Å²	106.1	29%	0.287	50%	0.504	S	S	.	.	H	α-helix	trans	-69.3	-40.6	174.3	-58.6	0	0	0	0	110.8	V141 V142 C146 K147 V148	V141-S144 CarbonylContact O-C 3.55Å; V141-S144 WeakPolarHBondContact O-CA 3.4Å; V141-S144 VanDerWaalsContact O-CB 3.31Å; V141-S144 WeakPolarHBondContact O-CB 3.37Å; V141-S144 PolarHBondContact O-N 2.97Å; V142-S144 VanDerWaalsContact C-N 3.3Å; V142-S144 PolarHBondContact O-N 3.15Å; S144-C146 PolarHBondContact O-N 2.96Å; S144-K147 PolarHBondContact O-N 3.26Å; S144-V148 PolarHBondContact O-N 2.85Å
145	F	60.2	Low	56.9	Low	24 Å²	24	106.7 Å²	106.7	11%	0.105	51%	0.507	C	S	.	.	H	α-helix	trans	-68.4	-31.9	176.7	-81.4	-73.6	0	0	0	113.2	W133 V141 V142 K147 V148 I149 V161 H166	W133-F145 HydrophobicContact CH2-CD2 4.04Å; W133-F145 AromaticContact CH2-CE2 3.47Å; W133-F145 HydrophobicContact CH2-CE2 3.47Å; W133-F145 VanDerWaalsContact CH2-CE2 3.47Å; W133-F145 HydrophobicContact CH2-CZ 4.39Å; W133-F145 AromaticContact CZ2-CD2 3.69Å; W133-F145 HydrophobicContact CZ2-CD2 3.69Å; W133-F145 AromaticContact CZ2-CE2 3.63Å; W133-F145 HydrophobicContact CZ2-CE2 3.63Å; W133-F145 HydrophobicContact CZ3-CE2 4.47Å; V141-F145 HydrophobicContact CB-CD2 4.28Å; V141-F145 HydrophobicContact CB-CE2 4.23Å; V141-F145 HydrophobicContact CG1-CD2 3.67Å; V141-F145 HydrophobicContact CG1-CE2 3.38Å; V141-F145 HydrophobicContact CG1-CZ 4.49Å; V141-F145 VanDerWaalsContact O-CD2 3.23Å; V141-F145 WeakPolarHBondContact O-CD2 3.46Å; V141-F145 PolarHBondContact O-N 3.21Å; V142-F145 CarbonylContact O-C 3.55Å; V142-F145 PolarHBondContact O-N 3.24Å; F145-K147 PolarHBondContact O-N 3.46Å; F145-K147 VanDerWaalsContact O-N 3.15Å; F145-V148 HydrophobicContact CD1-CB 4.35Å; F145-V148 CarbonylContact O-C 3.55Å; F145-V148 WeakPolarHBondContact O-CA 3.3Å; F145-V148 PolarHBondContact O-N 2.88Å; F145-I149 HydrophobicContact CB-CD1 3.91Å; F145-I149 HydrophobicContact CB-CG1 4.4Å; F145-I149 VanDerWaalsContact O-CB 3.3Å; F145-I149 WeakPolarHBondContact O-CB 3.34Å; F145-I149 WeakPolarHBondContact O-CG1 3.5Å; F145-I149 PolarHBondContact O-N 2.92Å; F145-V161 HydrophobicContact CE1-CG1 4.48Å; F145-V161 HydrophobicContact CZ-CG1 4.32Å; F145-H166 AromaticContact CE2-CE1 3.43Å; F145-H166 VanDerWaalsContact CE2-CE1 3.43Å; F145-H166 WeakPolarHBondContact CE2-CE1 3.41Å; F145-H166 AromaticContact CZ-CE1 3.31Å; F145-H166 WeakPolarHBondContact CZ-CE1 3.49Å; F145-H166 AromaticContact CZ-NE2 3.98Å
146	C	50.4	Low	55.7	Low	51 Å²	51	106 Å²	106	35%	0.345	51%	0.507	S	S	.	.	H	α-helix	trans	-54.7	-36.5	174.4	-82.8	0	0	0	0	111	V142 S144 T150	V142-C146 PolarHBondContact O-N 2.79Å; V142-C146 PolarHBondContact O-SG 3.05Å; S144-C146 PolarHBondContact O-N 2.96Å; C146-T150 VanDerWaalsContact O-CB 3.23Å; C146-T150 WeakPolarHBondContact O-CB 3.2Å; C146-T150 WeakPolarHBondContact O-CG2 3.22Å; C146-T150 PolarHBondContact O-N 3.08Å; C146-T150 PolarHBondContact O-OG1 3.39Å
147	K	52	Low	54.7	Low	153 Å²	153	105.2 Å²	105.2	67%	0.665	50%	0.503	S	S	*	.	H	α-helix	trans	-74.4	-32.1	176.6	-155.7	146.5	-176.7	166	0	113.2	S144 F145 T150	S144-K147 PolarHBondContact O-N 3.26Å; F145-K147 PolarHBondContact O-N 3.46Å; F145-K147 VanDerWaalsContact O-N 3.15Å; K147-T150 WeakPolarHBondContact CA-OG1 3.13Å; K147-T150 PolarHBondContact O-OG1 3.36Å
148	V	56.3	Low	54.1	Low	57 Å²	57	98.2 Å²	98.2	35%	0.345	47%	0.474	S	S	.	.	H	α-helix	trans	-70.7	-51.4	173.5	178.4	0	0	0	0	110.4	S144 F145 T150 N151 Y152	S144-V148 PolarHBondContact O-N 2.85Å; F145-V148 HydrophobicContact CD1-CB 4.35Å; F145-V148 CarbonylContact O-C 3.55Å; F145-V148 WeakPolarHBondContact O-CA 3.3Å; F145-V148 PolarHBondContact O-N 2.88Å; V148-T150 VanDerWaalsContact C-N 3.33Å; V148-T150 PolarHBondContact O-N 3.15Å; V148-N151 PolarHBondContact O-N 3.26Å; V148-Y152 HydrophobicContact CG1-CD2 4.46Å; V148-Y152 HydrophobicContact CG1-CE2 3.85Å; V148-Y152 WeakPolarHBondContact O-CD2 3.47Å
149	I	58.3	Low	53.8	Low	23 Å²	23	97.7 Å²	97.7	12%	0.118	48%	0.475	C	S	.	.	H	α-helix	trans	-65.3	-32.1	-178.5	-63.9	168	0	0	0	111.8	I115 R117 L124 F145 N151	I115-I149 HydrophobicContact CD1-CD1 4.4Å; R117-I149 PolarHBondContact NH2-O 3.09Å; L124-I149 HydrophobicContact CD1-CD1 4.18Å; L124-I149 HydrophobicContact CD1-CG2 4.05Å; L124-I149 HydrophobicContact CD2-CG2 4.08Å; F145-I149 HydrophobicContact CB-CD1 3.91Å; F145-I149 HydrophobicContact CB-CG1 4.4Å; F145-I149 VanDerWaalsContact O-CB 3.3Å; F145-I149 WeakPolarHBondContact O-CB 3.34Å; F145-I149 WeakPolarHBondContact O-CG1 3.5Å; F145-I149 PolarHBondContact O-N 2.92Å; I149-N151 VanDerWaalsContact C-N 3.33Å
150	T	51.8	Low	53.6	Low	76 Å²	76	95.3 Å²	95.3	47%	0.466	47%	0.469	S	S	.	.	H	α-helix	trans	-75.8	-18.7	177.5	50	0	0	0	0	113.8	C146 K147 V148	C146-T150 VanDerWaalsContact O-CB 3.23Å; C146-T150 WeakPolarHBondContact O-CB 3.2Å; C146-T150 WeakPolarHBondContact O-CG2 3.22Å; C146-T150 PolarHBondContact O-N 3.08Å; C146-T150 PolarHBondContact O-OG1 3.39Å; K147-T150 WeakPolarHBondContact CA-OG1 3.13Å; K147-T150 PolarHBondContact O-OG1 3.36Å; V148-T150 VanDerWaalsContact C-N 3.33Å; V148-T150 PolarHBondContact O-N 3.15Å
151	N	48.4	Very low	53.7	Low	136 Å²	136	90.6 Å²	90.6	73%	0.727	45%	0.446	S	S	*	.	H	α-helix	trans	-80.7	-30.1	177.1	-156.5	-55.8	0	0	0	112.3	V148 I149 R153	V148-N151 PolarHBondContact O-N 3.26Å; I149-N151 VanDerWaalsContact C-N 3.33Å; N151-R153 PolarHBondContact O-N 2.92Å
152	Y	52.1	Low	53.4	Low	144 Å²	144	93.7 Å²	93.7	57%	0.565	46%	0.461	S	S	*	.			trans	-74.4	71	170.3	-63.7	-82.6	0	0	0	110.2	V148 K154	V148-Y152 HydrophobicContact CG1-CD2 4.46Å; V148-Y152 HydrophobicContact CG1-CE2 3.85Å; V148-Y152 WeakPolarHBondContact O-CD2 3.47Å; Y152-K154 VanDerWaalsContact C-N 3.27Å; Y152-K154 PolarHBondContact O-N 3.49Å
153	R	49.2	Very low	53.3	Low	223 Å²	223	97.4 Å²	97.4	84%	0.842	47%	0.473	S	S	*	.			trans	-76.2	-5.7	-174.2	-106.1	-179.1	-165.7	-169.5	2.1	114.5	N151	N151-R153 PolarHBondContact O-N 2.92Å
154	K	41.7	Very low	53.1	Low	202 Å²	202	100.1 Å²	100.1	88%	0.878	48%	0.479	S	S	*	.	S	Bend	trans	-160.1	57	-172.6	-152.7	177.2	-173.4	-179.1	0	113.7	Y152	Y152-K154 VanDerWaalsContact C-N 3.27Å; Y152-K154 PolarHBondContact O-N 3.49Å
155	L	42.6	Very low	52.7	Low	117 Å²	117	100.5 Å²	100.5	61%	0.613	48%	0.482	S	S	*	.			trans	-135.7	129.7	163.3	-88.7	155	0	0	0	107.7	D157	L155-D157 PolarHBondContact O-N 3.49Å
156	E	50.3	Low	52.1	Low	165 Å²	165	100.5 Å²	100.5	77%	0.771	48%	0.482	S	S	*	.			trans	-72.3	22.2	-176	-55.9	175	-168.4	0	0	111.5
157	D	52.8	Low	51.8	Low	86 Å²	86	106.2 Å²	106.2	46%	0.46	50%	0.503	S	S	.	.	B	Isolated β-bridge	trans	-119	125.3	-161.5	-66	-37.1	0	0	0	110.8	L155 V159	L155-D157 PolarHBondContact O-N 3.49Å; D157-V159 PolarHBondContact O-N 2.9Å
158	C	53.4	Low	51.4	Low	14 Å²	14	107.9 Å²	107.9	10%	0.095	51%	0.507	C	S	.	.			trans	-55.5	128.5	162	-71.2	0	0	0	0	110.6	F104 V114 I116 K160	F104-C158 HydrophobicContact CB-CB 3.38Å; F104-C158 WeakPolarHBondContact CB-SG 3.3Å; F104-C158 HydrophobicContact CG-CB 4.38Å; V114-C158 HydrophobicContact CG1-CB 3.8Å; V114-C158 WeakPolarHBondContact CG1-SG 3.49Å; I116-C158 WeakPolarHBondContact CG2-SG 3.07Å; C158-K160 PolarHBondContact O-N 3.44Å
159	V	59.1	Low	51.2	Low	61 Å²	61	108.7 Å²	108.7	37%	0.37	51%	0.509	S	S	.	.			trans	-74.3	110.7	-178.2	-178.6	0	0	0	0	109.3	I113 D157 V161	I113-V159 VanDerWaalsContact O-O 3.07Å; D157-V159 PolarHBondContact O-N 2.9Å; V159-V161 HydrophobicContact CG1-CG2 4Å; V159-V161 PolarHBondContact O-N 3.5Å; V159-V161 VanDerWaalsContact O-N 3.12Å
160	K	57.8	Low	50.9	Low	109 Å²	109	110.5 Å²	110.5	47%	0.474	52%	0.519	S	S	.	.			trans	-70.5	103	167.1	-177	-179.9	-179.2	177.9	0	109.2	A108 C158	A108-K160 HydrophobicContact CB-CB 4.16Å; A108-K160 HydrophobicContact CB-CG 4.44Å; C158-K160 PolarHBondContact O-N 3.44Å
161	V	60.8	Low	51.2	Low	15 Å²	15	113.4 Å²	113.4	9%	0.091	53%	0.53	C	S	.	.			trans	-88.6	117.7	168.2	-174.6	0	0	0	0	108	I113 L131 F145 V159 H166	I113-V161 HydrophobicContact CD1-CB 4.36Å; L131-V161 WeakPolarHBondContact CD1-O 3.31Å; F145-V161 HydrophobicContact CE1-CG1 4.48Å; F145-V161 HydrophobicContact CZ-CG1 4.32Å; V159-V161 HydrophobicContact CG1-CG2 4Å; V159-V161 PolarHBondContact O-N 3.5Å; V159-V161 VanDerWaalsContact O-N 3.12Å; V161-H166 VanDerWaalsContact CG1-NE2 3.28Å; V161-H166 WeakPolarHBondContact CG1-NE2 3.13Å
162	N	53.8	Low	51.5	Low	84 Å²	84	110.4 Å²	110.4	45%	0.449	51%	0.511	S	S	.	.			trans	-100.3	135.3	174.8	-173	-23.9	0	0	0	109.1	K164 S165	N162-K164 PolarHBondContact O-N 3.44Å; N162-K164 PolarHBondContact OD1-N 2.95Å; N162-S165 PolarHBondContact O-N 2.95Å; N162-S165 PolarHBondContact O-OG 3.27Å
163	K	56.8	Low	51.7	Low	134 Å²	134	105.1 Å²	105.1	58%	0.583	50%	0.495	S	S	*	.	G	3₁₀ helix	trans	-50.1	-25.6	179.6	-157.3	164.2	-175.7	161.9	0	113.5	S165 H166	K163-S165 VanDerWaalsContact C-N 3.31Å; K163-S165 PolarHBondContact O-N 2.78Å; K163-H166 PolarHBondContact O-N 3.02Å
164	K	50.7	Low	52.2	Low	187 Å²	187	99.1 Å²	99.1	81%	0.813	48%	0.48	S	S	*	.	G	3₁₀ helix	trans	-64.5	-22.3	176.6	-71.7	-170.4	178.3	-177.6	0	115.4	N162 H166	N162-K164 PolarHBondContact O-N 3.44Å; N162-K164 PolarHBondContact OD1-N 2.95Å; K164-H166 VanDerWaalsContact C-N 3.35Å; K164-H166 PolarHBondContact O-N 2.71Å
165	S	48.4	Very low	53.1	Low	50 Å²	50	94.2 Å²	94.2	35%	0.35	46%	0.456	S	S	.	.	G	3₁₀ helix	trans	-80.3	-12.2	-179.3	55.7	0	0	0	0	114.3	N162 K163	N162-S165 PolarHBondContact O-N 2.95Å; N162-S165 PolarHBondContact O-OG 3.27Å; K163-S165 VanDerWaalsContact C-N 3.31Å; K163-S165 PolarHBondContact O-N 2.78Å
166	H	46.7	Very low	54	Low	24 Å²	24	91.9 Å²	91.9	11%	0.111	44%	0.444	C	S	.	.	H	α-helix	trans	-79.3	-24.5	-171.2	-71.8	-87.7	0	0	0	115	W133 F145 V161 K163 K164 Y168 N170	W133-H166 AromaticContact CH2-CE1 3.13Å; W133-H166 WeakPolarHBondContact CH2-CE1 3.23Å; W133-H166 AromaticContact CH2-ND1 3.69Å; W133-H166 AromaticContact CZ3-CE1 3.02Å; W133-H166 WeakPolarHBondContact CZ3-CE1 3.48Å; W133-H166 AromaticContact CZ3-ND1 3.61Å; W133-H166 AromaticContact CZ3-NE2 3.53Å; F145-H166 AromaticContact CE2-CE1 3.43Å; F145-H166 VanDerWaalsContact CE2-CE1 3.43Å; F145-H166 WeakPolarHBondContact CE2-CE1 3.41Å; F145-H166 AromaticContact CZ-CE1 3.31Å; F145-H166 WeakPolarHBondContact CZ-CE1 3.49Å; F145-H166 AromaticContact CZ-NE2 3.98Å; V161-H166 VanDerWaalsContact CG1-NE2 3.28Å; V161-H166 WeakPolarHBondContact CG1-NE2 3.13Å; K163-H166 PolarHBondContact O-N 3.02Å; K164-H166 VanDerWaalsContact C-N 3.35Å; K164-H166 PolarHBondContact O-N 2.71Å; H166-Y168 VanDerWaalsContact C-N 3.33Å; H166-Y168 PolarHBondContact O-N 3Å; H166-N170 PolarHBondContact O-N 2.94Å; H166-N170 PolarHBondContact O-ND2 3.25Å
167	H	44.4	Very low	54.7	Low	170 Å²	170	87.8 Å²	87.8	79%	0.787	43%	0.43	S	S	*	.	H	α-helix	trans	-70.9	-29.5	-178.1	-115.1	-73.5	0	0	0	113.2
168	Y	45.1	Very low	55.2	Low	189 Å²	189	90.6 Å²	90.6	74%	0.741	44%	0.438	S	S	*	.	H	α-helix	trans	-87.1	-28.9	176.8	-97.4	-92.8	0	0	0	113.3	H166	H166-Y168 VanDerWaalsContact C-N 3.33Å; H166-Y168 PolarHBondContact O-N 3Å
169	L	51.1	Low	55.7	Low	73 Å²	73	91.1 Å²	91.1	38%	0.382	44%	0.441	S	S	.	.	H	α-helix	trans	-77	-27.4	-179.5	-92.2	151.7	0	0	0	113.3	C173	L169-C173 HydrophobicContact CD2-CB 4.42Å; L169-C173 WeakPolarHBondContact O-CA 3.31Å; L169-C173 WeakPolarHBondContact O-CB 3.38Å; L169-C173 PolarHBondContact O-N 3.2Å
170	N	52	Low	56.2	Low	61 Å²	61	93.3 Å²	93.3	33%	0.326	45%	0.446	S	S	.	.	H	α-helix	trans	-65.4	-53.1	-177.8	-91.4	-38.7	0	0	0	112.8	H166 L174	H166-N170 PolarHBondContact O-N 2.94Å; H166-N170 PolarHBondContact O-ND2 3.25Å; N170-L174 WeakPolarHBondContact O-CB 3.45Å; N170-L174 VanDerWaalsContact O-CD1 3.3Å; N170-L174 WeakPolarHBondContact O-CD1 3.28Å; N170-L174 WeakPolarHBondContact O-CG 3.19Å; N170-L174 PolarHBondContact O-N 3.32Å
171	I	58.2	Low	56.6	Low	137 Å²	137	94.3 Å²	94.3	70%	0.703	45%	0.45	S	S	*	.	H	α-helix	trans	-71.6	-43.2	-175.3	-63.6	171.7	0	0	0	111.4	Y175	I171-Y175 WeakPolarHBondContact O-CB 3.02Å; I171-Y175 PolarHBondContact O-N 3.18Å; I171-Y175 VanDerWaalsContact O-N 3.11Å
172	H	54.9	Low	56.8	Low	73 Å²	73	95.8 Å²	95.8	34%	0.338	46%	0.462	S	S	.	.	H	α-helix	trans	-73.3	-35.6	-176.2	-143.3	-87.4	0	0	0	112.3	Y14 L176	Y14-H172 AromaticContact CD1-CE1 3.62Å; Y14-H172 AromaticContact CD1-NE2 3.6Å; Y14-H172 AromaticContact CE1-CE1 3.21Å; Y14-H172 WeakPolarHBondContact CE1-CE1 3.45Å; Y14-H172 AromaticContact CE1-NE2 3.43Å; Y14-H172 WeakPolarHBondContact CE1-NE2 3.32Å; Y14-H172 AromaticContact CE2-NE2 3.98Å; Y14-H172 AromaticContact CG-NE2 3.95Å; Y14-H172 AromaticContact CZ-CE1 3.7Å; Y14-H172 AromaticContact CZ-NE2 3.61Å; H172-L176 WeakPolarHBondContact O-CB 3.13Å; H172-L176 VanDerWaalsContact O-CG 3.29Å; H172-L176 WeakPolarHBondContact O-CG 3.37Å; H172-L176 PolarHBondContact O-N 2.91Å; H172-L176 VanDerWaalsContact O-N 3.11Å
173	C	56	Low	57.4	Low	33 Å²	33	95.4 Å²	95.4	22%	0.223	46%	0.456	C	S	.	.	H	α-helix	trans	-76.6	-39.8	177.3	-154.7	0	0	0	0	111.4	L169 Y175 L176 V177	L169-C173 HydrophobicContact CD2-CB 4.42Å; L169-C173 WeakPolarHBondContact O-CA 3.31Å; L169-C173 WeakPolarHBondContact O-CB 3.38Å; L169-C173 PolarHBondContact O-N 3.2Å; C173-Y175 VanDerWaalsContact C-N 3.3Å; C173-Y175 PolarHBondContact O-N 3.47Å; C173-L176 PolarHBondContact O-N 3.03Å; C173-V177 WeakPolarHBondContact O-CB 3.35Å; C173-V177 WeakPolarHBondContact O-CG2 3.43Å; C173-V177 PolarHBondContact O-N 3.37Å
174	L	59.1	Low	58	Low	98 Å²	98	94.8 Å²	94.8	51%	0.513	46%	0.455	S	S	.	.	H	α-helix	trans	-57.4	-43.6	172.4	-91.5	149.1	0	0	0	111.5	N170 V177 F178	N170-L174 WeakPolarHBondContact O-CB 3.45Å; N170-L174 VanDerWaalsContact O-CD1 3.3Å; N170-L174 WeakPolarHBondContact O-CD1 3.28Å; N170-L174 WeakPolarHBondContact O-CG 3.19Å; N170-L174 PolarHBondContact O-N 3.32Å; L174-V177 PolarHBondContact O-N 3.38Å; L174-F178 HydrophobicContact CD2-CD2 4.46Å; L174-F178 HydrophobicContact CD2-CE2 4.44Å; L174-F178 WeakPolarHBondContact O-CB 3.49Å; L174-F178 PolarHBondContact O-N 3.24Å
175	Y	61	Low	59	Low	99 Å²	99	90.9 Å²	90.9	39%	0.388	44%	0.443	S	S	.	.	H	α-helix	trans	-66.2	-41.9	178.7	-151.4	-87.6	0	0	0	112.4	I171 C173 T179 I202	I171-Y175 WeakPolarHBondContact O-CB 3.02Å; I171-Y175 PolarHBondContact O-N 3.18Å; I171-Y175 VanDerWaalsContact O-N 3.11Å; C173-Y175 VanDerWaalsContact C-N 3.3Å; C173-Y175 PolarHBondContact O-N 3.47Å; Y175-T179 HydrophobicContact CD1-CG2 3.84Å; Y175-T179 HydrophobicContact CE1-CG2 3.67Å; Y175-T179 WeakPolarHBondContact O-CB 3.39Å; Y175-T179 VanDerWaalsContact O-CG2 3.28Å; Y175-T179 WeakPolarHBondContact O-CG2 3.41Å; Y175-T179 PolarHBondContact O-N 3.27Å; Y175-T179 PolarHBondContact O-OG1 3.4Å; Y175-I202 HydrophobicContact CE1-CD1 3.81Å; Y175-I202 HydrophobicContact CE1-CG1 3.46Å; Y175-I202 VanDerWaalsContact CE1-CG1 3.46Å; Y175-I202 WeakPolarHBondContact OH-CG1 3.2Å
176	L	62.3	Low	59.9	Low	68 Å²	68	89.3 Å²	89.3	36%	0.356	43%	0.433	S	S	.	.	H	α-helix	trans	-67.1	-38	176.2	-74.5	172.4	0	0	0	112.4	F18 H172 C173 T179 F180	F18-L176 HydrophobicContact CE1-CD2 4.4Å; F18-L176 HydrophobicContact CE2-CD2 4.13Å; F18-L176 HydrophobicContact CZ-CD2 3.59Å; H172-L176 WeakPolarHBondContact O-CB 3.13Å; H172-L176 VanDerWaalsContact O-CG 3.29Å; H172-L176 WeakPolarHBondContact O-CG 3.37Å; H172-L176 PolarHBondContact O-N 2.91Å; H172-L176 VanDerWaalsContact O-N 3.11Å; C173-L176 PolarHBondContact O-N 3.03Å; L176-T179 WeakPolarHBondContact CA-OG1 3.46Å; L176-T179 PolarHBondContact O-OG1 3.44Å; L176-T179 VanDerWaalsContact O-OG1 3.07Å; L176-F180 WeakPolarHBondContact O-CB 3.14Å; L176-F180 PolarHBondContact O-N 3.49Å
177	V	64.4	Low	61.2	Low	79 Å²	79	91.2 Å²	91.2	48%	0.479	45%	0.448	S	S	.	.	H	α-helix	trans	-68.1	-45.8	176.3	172.7	0	0	0	0	110.6	C173 L174 T179 F180 F181	C173-V177 WeakPolarHBondContact O-CB 3.35Å; C173-V177 WeakPolarHBondContact O-CG2 3.43Å; C173-V177 PolarHBondContact O-N 3.37Å; L174-V177 PolarHBondContact O-N 3.38Å; V177-T179 PolarHBondContact O-N 3.34Å; V177-F180 PolarHBondContact O-N 3.32Å; V177-F181 WeakPolarHBondContact O-CB 3.27Å; V177-F181 PolarHBondContact O-N 2.91Å
178	F	63.6	Low	62.5	Low	145 Å²	145	88.6 Å²	88.6	64%	0.636	45%	0.446	S	S	*	.	H	α-helix	trans	-61.6	-45	177.3	-105.8	-82.4	0	0	0	112.3	L174 S182	L174-F178 HydrophobicContact CD2-CD2 4.46Å; L174-F178 HydrophobicContact CD2-CE2 4.44Å; L174-F178 WeakPolarHBondContact O-CB 3.49Å; L174-F178 PolarHBondContact O-N 3.24Å; F178-S182 WeakPolarHBondContact O-CB 3.29Å; F178-S182 PolarHBondContact O-N 3.18Å; F178-S182 PolarHBondContact O-OG 3.29Å
179	T	63.8	Low	64.2	Low	24 Å²	24	85.5 Å²	85.5	15%	0.147	44%	0.442	C	S	.	.	H	α-helix	trans	-65.5	-46.9	178.2	50.5	0	0	0	0	111.1	Y175 L176 V177 F181 S182 F183 I198	Y175-T179 HydrophobicContact CD1-CG2 3.84Å; Y175-T179 HydrophobicContact CE1-CG2 3.67Å; Y175-T179 WeakPolarHBondContact O-CB 3.39Å; Y175-T179 VanDerWaalsContact O-CG2 3.28Å; Y175-T179 WeakPolarHBondContact O-CG2 3.41Å; Y175-T179 PolarHBondContact O-N 3.27Å; Y175-T179 PolarHBondContact O-OG1 3.4Å; L176-T179 WeakPolarHBondContact CA-OG1 3.46Å; L176-T179 PolarHBondContact O-OG1 3.44Å; L176-T179 VanDerWaalsContact O-OG1 3.07Å; V177-T179 PolarHBondContact O-N 3.34Å; T179-F181 PolarHBondContact O-N 2.86Å; T179-S182 PolarHBondContact O-N 2.94Å; T179-F183 VanDerWaalsContact O-CD2 3.28Å; T179-F183 WeakPolarHBondContact O-CD2 3.44Å; T179-F183 PolarHBondContact O-N 2.96Å; T179-I198 HydrophobicContact CG2-CD1 4.15Å; T179-I198 HydrophobicContact CG2-CG1 4.41Å; T179-I198 HydrophobicContact CG2-CG2 3.62Å
180	F	68.5	Low	65.4	Low	107 Å²	107	88.2 Å²	88.2	47%	0.469	45%	0.451	S	S	.	.	H	α-helix	trans	-60.4	-44.6	178.2	-170.2	-101.9	0	0	0	112.6	L176 V177 S182 F183 Q184	L176-F180 WeakPolarHBondContact O-CB 3.14Å; L176-F180 PolarHBondContact O-N 3.49Å; V177-F180 PolarHBondContact O-N 3.32Å; F180-S182 VanDerWaalsContact C-N 3.34Å; F180-S182 PolarHBondContact O-N 3Å; F180-F183 PolarHBondContact O-N 2.89Å; F180-Q184 HydrophobicContact CD1-CG 4.2Å; F180-Q184 HydrophobicContact CE1-CG 3.93Å; F180-Q184 HydrophobicContact CZ-CG 4.19Å; F180-Q184 WeakPolarHBondContact O-CG 3.15Å; F180-Q184 PolarHBondContact O-N 3.3Å
181	F	66.2	Low	66.5	Low	130 Å²	130	88.6 Å²	88.6	57%	0.57	45%	0.452	S	S	*	.	H	α-helix	trans	-67.1	-35.8	178.1	-157.9	-101.9	0	0	0	112.2	V177 T179 F183 Q184 N185	V177-F181 WeakPolarHBondContact O-CB 3.27Å; V177-F181 PolarHBondContact O-N 2.91Å; T179-F181 PolarHBondContact O-N 2.86Å; F181-F183 VanDerWaalsContact C-N 3.33Å; F181-Q184 PolarHBondContact O-N 2.95Å; F181-N185 WeakPolarHBondContact CD1-ND2 3.27Å; F181-N185 WeakPolarHBondContact CE1-ND2 3.39Å; F181-N185 WeakPolarHBondContact CZ-ND2 3.29Å; F181-N185 PolarHBondContact O-N 3.25Å; F181-N185 PolarHBondContact O-ND2 3.12Å
182	S	66.1	Low	67.4	Low	47 Å²	47	85.8 Å²	85.8	33%	0.329	45%	0.445	S	S	.	.	H	α-helix	trans	-64.7	-38.9	173.3	-56.1	0	0	0	0	111.4	F178 T179 F180 A186 L194	F178-S182 WeakPolarHBondContact O-CB 3.29Å; F178-S182 PolarHBondContact O-N 3.18Å; F178-S182 PolarHBondContact O-OG 3.29Å; T179-S182 PolarHBondContact O-N 2.94Å; F180-S182 VanDerWaalsContact C-N 3.34Å; F180-S182 PolarHBondContact O-N 3Å; S182-A186 WeakPolarHBondContact O-CB 3.46Å; S182-A186 PolarHBondContact O-N 2.84Å; S182-A186 VanDerWaalsContact O-N 3.17Å; S182-L194 VanDerWaalsContact C-CD2 3.46Å; S182-L194 WeakPolarHBondContact O-CD2 3.39Å
183	F	66.4	Low	68.5	Low	75 Å²	75	85.4 Å²	85.4	33%	0.329	45%	0.445	S	S	.	.	H	α-helix	trans	-69.5	-39.8	176.2	-91.3	-80.1	0	0	0	112.9	T179 F180 F181 N185 A186 I191 L194 I198	T179-F183 VanDerWaalsContact O-CD2 3.28Å; T179-F183 WeakPolarHBondContact O-CD2 3.44Å; T179-F183 PolarHBondContact O-N 2.96Å; F180-F183 PolarHBondContact O-N 2.89Å; F181-F183 VanDerWaalsContact C-N 3.33Å; F183-N185 VanDerWaalsContact C-N 3.32Å; F183-N185 PolarHBondContact O-N 2.87Å; F183-A186 PolarHBondContact O-N 2.84Å; F183-I191 HydrophobicContact CD1-CG2 3.84Å; F183-I191 HydrophobicContact CE1-CG2 3.68Å; F183-L194 HydrophobicContact CD1-CD2 4.26Å; F183-L194 HydrophobicContact CD2-CD2 4.18Å; F183-L194 HydrophobicContact CE2-CD2 4.48Å; F183-L194 HydrophobicContact CG-CD2 4.07Å; F183-I198 HydrophobicContact CD2-CD1 3.93Å; F183-I198 HydrophobicContact CE2-CD1 3.52Å; F183-I198 HydrophobicContact CZ-CD1 4.36Å
184	Q	69.3	Low	69.5	Low	122 Å²	122	86.1 Å²	86.1	57%	0.57	45%	0.446	S	S	*	.	H	α-helix	trans	-68.4	-29.1	179.5	-75.6	-174.3	-49.7	0	0	113.6	F180 F181	F180-Q184 HydrophobicContact CD1-CG 4.2Å; F180-Q184 HydrophobicContact CE1-CG 3.93Å; F180-Q184 HydrophobicContact CZ-CG 4.19Å; F180-Q184 WeakPolarHBondContact O-CG 3.15Å; F180-Q184 PolarHBondContact O-N 3.3Å; F181-Q184 PolarHBondContact O-N 2.95Å
185	N	71.8	Confident	70.3	Confident	104 Å²	104	83.9 Å²	83.9	56%	0.556	44%	0.439	S	S	*	.	H	α-helix	trans	-98.6	-2.7	-179.9	-64.2	-59.8	0	0	0	113.7	F181 F183	F181-N185 WeakPolarHBondContact CD1-ND2 3.27Å; F181-N185 WeakPolarHBondContact CE1-ND2 3.39Å; F181-N185 WeakPolarHBondContact CZ-ND2 3.29Å; F181-N185 PolarHBondContact O-N 3.25Å; F181-N185 PolarHBondContact O-ND2 3.12Å; F183-N185 VanDerWaalsContact C-N 3.32Å; F183-N185 PolarHBondContact O-N 2.87Å
186	A	66.8	Low	71.1	Confident	18 Å²	18	85 Å²	85	15%	0.149	45%	0.447	C	S	.	.	S	Bend	trans	-75.2	133.9	178.7	0	0	0	0	0	110.6	S182 F183 I191 L194	S182-A186 WeakPolarHBondContact O-CB 3.46Å; S182-A186 PolarHBondContact O-N 2.84Å; S182-A186 VanDerWaalsContact O-N 3.17Å; F183-A186 PolarHBondContact O-N 2.84Å; A186-I191 HydrophobicContact CB-CG1 4.22Å; A186-L194 HydrophobicContact CB-CD2 4.04Å
187	P	74.4	Confident	71.8	Confident	63 Å²	63	82.5 Å²	82.5	41%	0.409	44%	0.435	S	S	.	.			trans	-62	146.1	171.7	29	-34.7	0	0	0	109.2	N189 K190	P187-N189 WeakPolarHBondContact CB-OD1 3.17Å; P187-N189 PolarHBondContact O-N 3.05Å; P187-K190 HydrophobicContact CG-CB 4Å; P187-K190 HydrophobicContact CG-CD 3.84Å; P187-K190 HydrophobicContact CG-CG 3.93Å; P187-K190 PolarHBondContact O-N 2.85Å
188	P	72	Confident	72.4	Confident	115 Å²	115	80 Å²	80	75%	0.747	42%	0.419	S	S	*	.	G	3₁₀ helix	trans	-58.2	-30.1	-167.8	20.6	-32.5	0	0	0	113.4	K190	P188-K190 VanDerWaalsContact C-N 3.3Å; P188-K190 PolarHBondContact O-N 3.09Å
189	N	79.1	Confident	72.9	Confident	125 Å²	125	75.3 Å²	75.3	67%	0.668	41%	0.407	S	S	*	.	G	3₁₀ helix	trans	-74	-11.4	176.9	62.1	-15.9	0	0	0	114.8	P187	P187-N189 WeakPolarHBondContact CB-OD1 3.17Å; P187-N189 PolarHBondContact O-N 3.05Å
190	K	77.7	Confident	73.5	Confident	129 Å²	129	78.7 Å²	78.7	56%	0.561	42%	0.42	S	S	*	.	G	3₁₀ helix	trans	-110	-1.4	-179.9	-66.2	-171.6	-178.8	-177.5	0	114.1	P187 P188 S192 L193 L194	P187-K190 HydrophobicContact CG-CB 4Å; P187-K190 HydrophobicContact CG-CD 3.84Å; P187-K190 HydrophobicContact CG-CG 3.93Å; P187-K190 PolarHBondContact O-N 2.85Å; P188-K190 VanDerWaalsContact C-N 3.3Å; P188-K190 PolarHBondContact O-N 3.09Å; K190-S192 PolarHBondContact O-N 2.89Å; K190-L193 PolarHBondContact O-N 3.45Å; K190-L194 WeakPolarHBondContact O-CB 3.47Å; K190-L194 PolarHBondContact O-N 3.3Å
191	I	75.7	Confident	73.7	Confident	69 Å²	69	81.9 Å²	81.9	35%	0.354	43%	0.429	S	S	.	.	H	α-helix	trans	-60.6	-43.8	-175.9	-67	177.4	0	0	0	112	F183 A186 L193 L194 S195	F183-I191 HydrophobicContact CD1-CG2 3.84Å; F183-I191 HydrophobicContact CE1-CG2 3.68Å; A186-I191 HydrophobicContact CB-CG1 4.22Å; I191-L193 VanDerWaalsContact C-N 3.35Å; I191-L193 PolarHBondContact O-N 3.33Å; I191-L194 PolarHBondContact O-N 2.93Å; I191-S195 WeakPolarHBondContact O-CB 3.29Å; I191-S195 PolarHBondContact O-N 3.07Å
192	S	75.9	Confident	73.8	Confident	78 Å²	78	79 Å²	79	55%	0.545	42%	0.419	S	S	.	.	H	α-helix	trans	-61.8	-44.1	177.8	57.4	0	0	0	0	111.5	K190 S195 Q196	K190-S192 PolarHBondContact O-N 2.89Å; S192-S195 PolarHBondContact O-N 3.49Å; S192-S195 PolarHBondContact O-OG 3.5Å; S192-Q196 PolarHBondContact O-N 2.65Å
193	L	78.8	Confident	74.2	Confident	66 Å²	66	83.5 Å²	83.5	35%	0.346	43%	0.432	S	S	.	.	H	α-helix	trans	-68.8	-39	180	-151.2	148.2	0	0	0	111.3	K190 I191 Q196 C197 H209	K190-L193 PolarHBondContact O-N 3.45Å; I191-L193 VanDerWaalsContact C-N 3.35Å; I191-L193 PolarHBondContact O-N 3.33Å; L193-Q196 PolarHBondContact O-N 3.34Å; L193-C197 WeakPolarHBondContact O-CB 3.44Å; L193-C197 PolarHBondContact O-N 2.69Å; L193-H209 HydrophobicContact CD2-CB 3.82Å
194	L	77	Confident	74.4	Confident	48 Å²	48	83 Å²	83	25%	0.251	45%	0.448	S	S	.	.	H	α-helix	trans	-62.4	-43.1	172.8	-165.6	87.8	0	0	0	111.2	S182 F183 A186 K190 I191 Q196 C197 I198	S182-L194 VanDerWaalsContact C-CD2 3.46Å; S182-L194 WeakPolarHBondContact O-CD2 3.39Å; F183-L194 HydrophobicContact CD1-CD2 4.26Å; F183-L194 HydrophobicContact CD2-CD2 4.18Å; F183-L194 HydrophobicContact CE2-CD2 4.48Å; F183-L194 HydrophobicContact CG-CD2 4.07Å; A186-L194 HydrophobicContact CB-CD2 4.04Å; K190-L194 WeakPolarHBondContact O-CB 3.47Å; K190-L194 PolarHBondContact O-N 3.3Å; I191-L194 PolarHBondContact O-N 2.93Å; L194-Q196 VanDerWaalsContact C-N 3.32Å; L194-Q196 PolarHBondContact O-N 3.17Å; L194-C197 PolarHBondContact O-N 3.44Å; L194-I198 HydrophobicContact CD2-CD1 3.93Å; L194-I198 HydrophobicContact CG-CD1 3.89Å; L194-I198 HydrophobicContact CG-CG1 4.49Å; L194-I198 WeakPolarHBondContact O-CB 3.29Å; L194-I198 VanDerWaalsContact O-CG1 3.27Å; L194-I198 WeakPolarHBondContact O-CG1 3.46Å; L194-I198 PolarHBondContact O-N 2.91Å
195	S	75.2	Confident	74.6	Confident	50 Å²	50	81.5 Å²	81.5	35%	0.35	44%	0.444	S	S	.	.	H	α-helix	trans	-60.5	-41.6	176.7	82.1	0	0	0	0	112	I191 S192 A199	I191-S195 WeakPolarHBondContact O-CB 3.29Å; I191-S195 PolarHBondContact O-N 3.07Å; S192-S195 PolarHBondContact O-N 3.49Å; S192-S195 PolarHBondContact O-OG 3.5Å; S195-A199 WeakPolarHBondContact O-CB 3.38Å; S195-A199 PolarHBondContact O-N 2.99Å
196	Q	78.3	Confident	74.5	Confident	122 Å²	122	82 Å²	82	57%	0.57	45%	0.453	S	S	*	.	H	α-helix	trans	-68.9	-40.7	176.1	-75.3	-179.6	-3.5	0	0	112	S192 L193 L194 A199 K200	S192-Q196 PolarHBondContact O-N 2.65Å; L193-Q196 PolarHBondContact O-N 3.34Å; L194-Q196 VanDerWaalsContact C-N 3.32Å; L194-Q196 PolarHBondContact O-N 3.17Å; Q196-A199 PolarHBondContact O-N 3.26Å; Q196-K200 WeakPolarHBondContact O-CB 3.19Å; Q196-K200 WeakPolarHBondContact O-CG 3.44Å; Q196-K200 PolarHBondContact O-N 2.99Å
197	C	77.2	Confident	74.3	Confident	16 Å²	16	82.1 Å²	82.1	11%	0.108	45%	0.453	C	S	.	.	H	α-helix	trans	-64.9	-41.4	176	-80.8	0	0	0	0	111.8	L193 L194 K200 R201 C207	L193-C197 WeakPolarHBondContact O-CB 3.44Å; L193-C197 PolarHBondContact O-N 2.69Å; L194-C197 PolarHBondContact O-N 3.44Å; C197-K200 PolarHBondContact O-N 3.35Å; C197-R201 WeakPolarHBondContact O-CB 3.27Å; C197-R201 PolarHBondContact O-N 2.73Å; C197-C207 HydrophobicContact CB-CB 4.49Å; C197-C207 PolarHBondContact O-SG 3.36Å
198	I	75.8	Confident	73.8	Confident	28 Å²	28	87 Å²	87	14%	0.144	47%	0.474	C	S	.	.	H	α-helix	trans	-62.6	-50.2	173.6	-70	165.6	0	0	0	109	T179 F183 L194 K200 R201 I202	T179-I198 HydrophobicContact CG2-CD1 4.15Å; T179-I198 HydrophobicContact CG2-CG1 4.41Å; T179-I198 HydrophobicContact CG2-CG2 3.62Å; F183-I198 HydrophobicContact CD2-CD1 3.93Å; F183-I198 HydrophobicContact CE2-CD1 3.52Å; F183-I198 HydrophobicContact CZ-CD1 4.36Å; L194-I198 HydrophobicContact CD2-CD1 3.93Å; L194-I198 HydrophobicContact CG-CD1 3.89Å; L194-I198 HydrophobicContact CG-CG1 4.49Å; L194-I198 WeakPolarHBondContact O-CB 3.29Å; L194-I198 VanDerWaalsContact O-CG1 3.27Å; L194-I198 WeakPolarHBondContact O-CG1 3.46Å; L194-I198 PolarHBondContact O-N 2.91Å; I198-K200 VanDerWaalsContact C-N 3.31Å; I198-K200 PolarHBondContact O-N 3.07Å; I198-R201 PolarHBondContact O-N 2.66Å; I198-R201 VanDerWaalsContact O-N 3.16Å; I198-I202 HydrophobicContact CG2-CD1 3.67Å; I198-I202 HydrophobicContact CG2-CG1 4.18Å; I198-I202 WeakPolarHBondContact O-CG1 3.4Å; I198-I202 PolarHBondContact O-N 3.04Å
199	A	74.5	Confident	73.5	Confident	46 Å²	46	88.2 Å²	88.2	38%	0.38	47%	0.47	S	S	.	.	H	α-helix	trans	-58.9	-37.8	178.6	0	0	0	0	0	113.5	S195 Q196 K203	S195-A199 WeakPolarHBondContact O-CB 3.38Å; S195-A199 PolarHBondContact O-N 2.99Å; Q196-A199 PolarHBondContact O-N 3.26Å; A199-K203 WeakPolarHBondContact O-CG 2.82Å; A199-K203 PolarHBondContact O-N 3.42Å
200	K	76.9	Confident	72.4	Confident	94 Å²	94	85 Å²	85	41%	0.409	46%	0.457	S	S	.	.	H	α-helix	trans	-69	-44.1	174.5	-79.4	-176.2	180	-178.2	0	112.1	Q196 C197 I198 I202 K203 G204 N205 C207	Q196-K200 WeakPolarHBondContact O-CB 3.19Å; Q196-K200 WeakPolarHBondContact O-CG 3.44Å; Q196-K200 PolarHBondContact O-N 2.99Å; C197-K200 PolarHBondContact O-N 3.35Å; I198-K200 VanDerWaalsContact C-N 3.31Å; I198-K200 PolarHBondContact O-N 3.07Å; K200-I202 VanDerWaalsContact C-N 3.34Å; K200-I202 PolarHBondContact O-N 3.04Å; K200-K203 CarbonylContact O-C 3.57Å; K200-K203 PolarHBondContact O-N 2.91Å; K200-K203 VanDerWaalsContact O-N 3.13Å; K200-G204 PolarHBondContact O-N 3.02Å; K200-N205 CarbonylContact C-O 3.54Å; K200-N205 HydrophobicContact CB-CB 4.42Å; K200-N205 PolarHBondContact O-N 2.78Å; K200-C207 VanDerWaalsContact CB-SG 3.58Å
201	R	71.9	Confident	71	Confident	175 Å²	175	85.2 Å²	85.2	66%	0.66	47%	0.469	S	S	*	.	H	α-helix	trans	-59.5	-42.8	174.3	-105.5	-176.4	-176.6	163.4	3	112.1	C197 I198 K203 G204	C197-R201 WeakPolarHBondContact O-CB 3.27Å; C197-R201 PolarHBondContact O-N 2.73Å; I198-R201 PolarHBondContact O-N 2.66Å; I198-R201 VanDerWaalsContact O-N 3.16Å; R201-K203 VanDerWaalsContact C-N 3.26Å; R201-K203 PolarHBondContact O-N 3.13Å; R201-G204 PolarHBondContact O-N 3.06Å
202	I	68.4	Low	69.1	Low	70 Å²	70	92.1 Å²	92.1	36%	0.359	51%	0.514	S	S	.	.	H	α-helix	trans	-61.1	-38.5	177.1	-62.5	168.2	0	0	0	110.4	Y11 Y175 I198 K200 G204	Y11-I202 HydrophobicContact CD2-CG2 4.27Å; Y11-I202 HydrophobicContact CE2-CG2 3.16Å; Y11-I202 WeakPolarHBondContact OH-CG2 3.47Å; Y175-I202 HydrophobicContact CE1-CD1 3.81Å; Y175-I202 HydrophobicContact CE1-CG1 3.46Å; Y175-I202 VanDerWaalsContact CE1-CG1 3.46Å; Y175-I202 WeakPolarHBondContact OH-CG1 3.2Å; I198-I202 HydrophobicContact CG2-CD1 3.67Å; I198-I202 HydrophobicContact CG2-CG1 4.18Å; I198-I202 WeakPolarHBondContact O-CG1 3.4Å; I198-I202 PolarHBondContact O-N 3.04Å; K200-I202 VanDerWaalsContact C-N 3.34Å; K200-I202 PolarHBondContact O-N 3.04Å; I202-G204 PolarHBondContact O-N 3.01Å
203	K	74.1	Confident	68.8	Low	140 Å²	140	92.9 Å²	92.9	61%	0.609	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-0.5	176.2	-70.4	-179.5	179.9	-179.1	0	114.4	Y11 A199 K200 R201 N205	Y11-K203 WeakPolarHBondContact OH-CG 3.44Å; A199-K203 WeakPolarHBondContact O-CG 2.82Å; A199-K203 PolarHBondContact O-N 3.42Å; K200-K203 CarbonylContact O-C 3.57Å; K200-K203 PolarHBondContact O-N 2.91Å; K200-K203 VanDerWaalsContact O-N 3.13Å; R201-K203 VanDerWaalsContact C-N 3.26Å; R201-K203 PolarHBondContact O-N 3.13Å; K203-N205 PolarHBondContact O-N 2.76Å
204	G	71.7	Confident	68.3	Low	65 Å²	65	94.3 Å²	94.3	67%	0.67	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.2	10.6	-176.1	0	0	0	0	0	114.6	K200 R201 I202	K200-G204 PolarHBondContact O-N 3.02Å; R201-G204 PolarHBondContact O-N 3.06Å; I202-G204 PolarHBondContact O-N 3.01Å
205	N	73.9	Confident	67.8	Low	90 Å²	90	96.8 Å²	96.8	48%	0.481	54%	0.536	S	S	.	.			trans	-89	139	-179.8	-69.4	-17.9	0	0	0	110.5	K200 K203 C207	K200-N205 CarbonylContact C-O 3.54Å; K200-N205 HydrophobicContact CB-CB 4.42Å; K200-N205 PolarHBondContact O-N 2.78Å; K203-N205 PolarHBondContact O-N 2.76Å; N205-C207 PolarHBondContact O-N 3.41Å
206	P	69.8	Low	67.4	Low	115 Å²	115	99.6 Å²	99.6	75%	0.747	55%	0.547	S	S	*	.			trans	-63.9	134.5	175.5	25.1	-32	0	0	0	111.2
207	C	61.8	Low	66.7	Low	20 Å²	20	98.2 Å²	98.2	14%	0.135	55%	0.546	C	S	.	.			trans	-89	104.5	174.1	-58.7	0	0	0	0	109	C197 K200 N205 H209 C210	C197-C207 HydrophobicContact CB-CB 4.49Å; C197-C207 PolarHBondContact O-SG 3.36Å; K200-C207 VanDerWaalsContact CB-SG 3.58Å; N205-C207 PolarHBondContact O-N 3.41Å; C207-H209 PolarHBondContact O-N 3.49Å; C207-C210 HydrophobicContact CB-CB 4.14Å; C207-C210 PolarHBondContact O-N 2.91Å; C207-C210 VanDerWaalsContact O-N 3.12Å
208	L	64.4	Low	66	Low	166 Å²	166	103.7 Å²	103.7	87%	0.869	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.9	-17.4	176.1	-79.9	144.4	0	0	0	114.2
209	H	64.6	Low	65.3	Low	140 Å²	140	109.1 Å²	109.1	65%	0.648	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.9	-5.9	179.6	-94.1	-71.7	0	0	0	115.1	L193 C207	L193-H209 HydrophobicContact CD2-CB 3.82Å; C207-H209 PolarHBondContact O-N 3.49Å
210	C	56.1	Low	64.6	Low	59 Å²	59	113.9 Å²	113.9	40%	0.399	62%	0.623	S	S	.	*			trans	-102.8	78.9	178	-65.8	0	0	0	0	109	C207	C207-C210 HydrophobicContact CB-CB 4.14Å; C207-C210 PolarHBondContact O-N 2.91Å; C207-C210 VanDerWaalsContact O-N 3.12Å
211	T	48.1	Very low	63.5	Low	132 Å²	132	115.6 Å²	115.6	81%	0.81	64%	0.641	S	S	*	*			trans	-65	128.6	148.7	41.4	0	0	0	0	107
212	V	37.5	Very low	62.8	Low	215 Å²	215	110.2 Å²	110.2	100%	1.303	64%	0.639	S	S	*	*			trans	-45.6	0	-176.7	-179.2	0	0	0	0	112

Retrieved 212 of 212 residues in 139.5 ms (Link to these results)

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