A0A5K4FFR0_SCHMA Loading...

EGF-like domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FFR0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 331 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	22.3	Very low	27.3	Very low	215 Å²	215	121.2 Å²	121.2	100%	1.059	63%	0.63	S	S	*	*				0	-32.3	0	-94	175	82.8	0	0	114.8	I3 A4	M1-I3 PolarHBondContact O-N 3.31Å; M1-A4 PolarHBondContact O-N 2.77Å
2	C	25.4	Very low	28.2	Very low	106 Å²	106	118.3 Å²	118.3	72%	0.716	61%	0.609	S	S	*	*	H	α-helix	trans	-66.6	-25.2	-175.3	-61	0	0	0	0	116.2	A4	C2-A4 VanDerWaalsContact C-N 3.33Å; C2-A4 PolarHBondContact O-N 2.91Å
3	I	26.1	Very low	28.3	Very low	139 Å²	139	113.5 Å²	113.5	71%	0.713	61%	0.607	S	S	*	*	H	α-helix	trans	-70.4	-30.6	-179	-59.8	174.5	0	0	0	111.6	M1	M1-I3 PolarHBondContact O-N 3.31Å
4	A	24.1	Very low	28.6	Very low	71 Å²	71	117.9 Å²	117.9	59%	0.587	62%	0.619	S	S	*	*	H	α-helix	trans	-76.3	-28.7	-178.5	0	0	0	0	0	113.5	M1 C2 Y7	M1-A4 PolarHBondContact O-N 2.77Å; C2-A4 VanDerWaalsContact C-N 3.33Å; C2-A4 PolarHBondContact O-N 2.91Å; A4-Y7 PolarHBondContact O-N 2.79Å
5	I	26.3	Very low	28.6	Very low	111 Å²	111	121.9 Å²	121.9	57%	0.569	63%	0.629	S	S	*	*	H	α-helix	trans	-73.5	-37.6	179.7	-61.2	176.5	0	0	0	110.6	Y7 R8 T9	I5-Y7 PolarHBondContact O-N 3.26Å; I5-R8 PolarHBondContact O-N 3.38Å; I5-R8 VanDerWaalsContact O-N 3.15Å; I5-T9 PolarHBondContact O-N 2.94Å; I5-T9 PolarHBondContact O-OG1 3.29Å
6	L	29.3	Very low	28.5	Very low	89 Å²	89	121.1 Å²	121.1	47%	0.466	64%	0.637	S	S	.	*	H	α-helix	trans	-60.7	-29.6	176.6	-113.8	140.5	0	0	0	112.9	I10 T138	L6-I10 HydrophobicContact CD2-CD1 3.97Å; L6-T138 HydrophobicContact CD2-CG2 3.97Å
7	Y	26.4	Very low	28.6	Very low	170 Å²	170	120.2 Å²	120.2	67%	0.667	64%	0.638	S	S	*	*	H	α-helix	trans	-74.2	-29.2	178	-124	-84.2	0	0	0	113.4	A4 I5	A4-Y7 PolarHBondContact O-N 2.79Å; I5-Y7 PolarHBondContact O-N 3.26Å
8	R	25.5	Very low	28.9	Very low	226 Å²	226	123 Å²	123	85%	0.853	65%	0.653	S	S	*	*	H	α-helix	trans	-79.4	-33.2	-179.5	-82.5	-165.2	177.3	-167	0.5	113.1	I5	I5-R8 PolarHBondContact O-N 3.38Å; I5-R8 VanDerWaalsContact O-N 3.15Å
9	T	31.9	Very low	29	Very low	73 Å²	73	125.3 Å²	125.3	45%	0.448	66%	0.66	S	S	.	*	H	α-helix	trans	-82.1	-18.5	-178.9	28.4	0	0	0	0	113.9	I5 L29	I5-T9 PolarHBondContact O-N 2.94Å; I5-T9 PolarHBondContact O-OG1 3.29Å; T9-L29 HydrophobicContact CG2-CD2 4.18Å
10	I	33.6	Very low	29.2	Very low	42 Å²	42	119.8 Å²	119.8	22%	0.215	63%	0.633	C	S	.	*			trans	-121	77.1	178.8	-34.6	176.4	0	0	0	109.7	L6 F12	L6-I10 HydrophobicContact CD2-CD1 3.97Å; I10-F12 HydrophobicContact CB-CD2 4.21Å; I10-F12 HydrophobicContact CB-CE2 3.66Å; I10-F12 HydrophobicContact CB-CZ 4.1Å; I10-F12 HydrophobicContact CG2-CD1 4.27Å; I10-F12 HydrophobicContact CG2-CD2 3.78Å; I10-F12 HydrophobicContact CG2-CE1 3.71Å; I10-F12 HydrophobicContact CG2-CE2 3.16Å; I10-F12 HydrophobicContact CG2-CG 4.31Å; I10-F12 HydrophobicContact CG2-CZ 3.13Å; I10-F12 VanDerWaalsContact O-CD2 3.32Å; I10-F12 WeakPolarHBondContact O-CD2 3.37Å; I10-F12 PolarHBondContact O-N 3.01Å; I10-F12 VanDerWaalsContact O-N 3.08Å
11	S	29.4	Very low	29.5	Very low	91 Å²	91	119.9 Å²	119.9	64%	0.636	63%	0.634	S	S	*	*			trans	-71.4	98.4	169.6	-69.4	0	0	0	0	109.2
12	F	37.9	Very low	30.5	Very low	86 Å²	86	114.5 Å²	114.5	38%	0.377	61%	0.607	S	S	.	*			trans	-86.2	117.7	170.8	-64.9	-79.8	0	0	0	109.7	I10 F14 M134	I10-F12 HydrophobicContact CB-CD2 4.21Å; I10-F12 HydrophobicContact CB-CE2 3.66Å; I10-F12 HydrophobicContact CB-CZ 4.1Å; I10-F12 HydrophobicContact CG2-CD1 4.27Å; I10-F12 HydrophobicContact CG2-CD2 3.78Å; I10-F12 HydrophobicContact CG2-CE1 3.71Å; I10-F12 HydrophobicContact CG2-CE2 3.16Å; I10-F12 HydrophobicContact CG2-CG 4.31Å; I10-F12 HydrophobicContact CG2-CZ 3.13Å; I10-F12 VanDerWaalsContact O-CD2 3.32Å; I10-F12 WeakPolarHBondContact O-CD2 3.37Å; I10-F12 PolarHBondContact O-N 3.01Å; I10-F12 VanDerWaalsContact O-N 3.08Å; F12-F14 HydrophobicContact CB-CD2 4.48Å; F12-F14 HydrophobicContact CB-CE2 4.31Å; F12-M134 HydrophobicContact CE1-CE 4.07Å; F12-M134 HydrophobicContact CE1-SD 4.09Å; F12-M134 HydrophobicContact CZ-CE 3.48Å; F12-M134 VanDerWaalsContact CZ-CE 3.48Å; F12-M134 HydrophobicContact CZ-SD 4.03Å
13	G	30.3	Very low	31.3	Very low	57 Å²	57	111.9 Å²	111.9	59%	0.588	58%	0.582	S	S	*	*			trans	-89	100.5	167.2	0	0	0	0	0	110	K15	G13-K15 PolarHBondContact O-N 3.17Å
14	F	32.2	Very low	32.2	Very low	175 Å²	175	107.1 Å²	107.1	77%	0.768	56%	0.556	S	S	*	*			trans	-76.8	98.2	163.7	-76.2	-86.1	0	0	0	107.9	F12	F12-F14 HydrophobicContact CB-CD2 4.48Å; F12-F14 HydrophobicContact CB-CE2 4.31Å
15	K	27.7	Very low	33.1	Very low	177 Å²	177	106.8 Å²	106.8	77%	0.77	54%	0.54	S	S	*	.			trans	-97.5	111	167	-101.2	-175.9	174.2	-178.2	0	108.2	G13 T17 A20	G13-K15 PolarHBondContact O-N 3.17Å; K15-T17 PolarHBondContact O-N 3.3Å; K15-A20 WeakPolarHBondContact O-CB 3.18Å
16	S	28.3	Very low	33.9	Very low	109 Å²	109	102.8 Å²	102.8	76%	0.762	52%	0.522	S	S	*	.			trans	-75.2	102.5	176.9	62.4	0	0	0	0	110.7
17	T	28.9	Very low	34.5	Very low	107 Å²	107	103.1 Å²	103.1	66%	0.656	52%	0.524	S	S	*	.	S	Bend	trans	-144.2	129.2	156.3	46.6	0	0	0	0	104.7	K15 E19 A20	K15-T17 PolarHBondContact O-N 3.3Å; T17-E19 PolarHBondContact O-N 2.98Å; T17-A20 WeakPolarHBondContact O-CB 3.39Å; T17-A20 PolarHBondContact O-N 3.31Å
18	D	34.4	Very low	35.5	Very low	170 Å²	170	96.6 Å²	96.6	91%	0.909	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-41.5	-13.9	-158.5	-65.6	-42.8	0	0	0	119.6
19	E	31.3	Very low	36.4	Very low	166 Å²	166	88.9 Å²	88.9	78%	0.776	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-18	171	-70.7	-172.4	150.3	0	0	114.5	T17 Y23	T17-E19 PolarHBondContact O-N 2.98Å; E19-Y23 WeakPolarHBondContact O-CD2 3.34Å
20	A	33.5	Very low	37	Very low	16 Å²	16	89.4 Å²	89.4	13%	0.132	47%	0.47	C	S	.	.	G	3₁₀ helix	trans	-77.1	-23.1	-171.2	0	0	0	0	0	114	K15 T17 E22 Y23	K15-A20 WeakPolarHBondContact O-CB 3.18Å; T17-A20 WeakPolarHBondContact O-CB 3.39Å; T17-A20 PolarHBondContact O-N 3.31Å; A20-E22 PolarHBondContact O-N 3.31Å; A20-Y23 PolarHBondContact O-N 3Å; A20-Y23 VanDerWaalsContact O-N 3.15Å
21	D	35.5	Very low	37.6	Very low	122 Å²	122	95.2 Å²	95.2	65%	0.652	50%	0.502	S	S	*	.	G	3₁₀ helix	trans	-65.5	-20.5	-176.4	-78.4	-16.2	0	0	0	113.2
22	E	43.7	Very low	38.7	Very low	102 Å²	102	91.4 Å²	91.4	48%	0.477	47%	0.474	S	S	.	.	G	3₁₀ helix	trans	-83.5	-13	179.1	-65.4	-168.2	154.4	0	0	113.6	A20 K231	A20-E22 PolarHBondContact O-N 3.31Å; E22-K231 IonicContact OE1-NZ 3.95Å; E22-K231 WeakPolarHBondContact OE2-CD 3.32Å; E22-K231 WeakPolarHBondContact OE2-CE 3.12Å; E22-K231 IonicContact OE2-NZ 3.99Å; E22-K231 PolarHBondContact OE2-NZ 3.17Å
23	Y	41	Very low	39.4	Very low	50 Å²	50	90.1 Å²	90.1	20%	0.196	47%	0.474	C	S	.	.			trans	-123.2	126.3	-159.5	-80	-69.9	0	0	0	113.5	E19 A20 S229 F230 K231	E19-Y23 WeakPolarHBondContact O-CD2 3.34Å; A20-Y23 PolarHBondContact O-N 3Å; A20-Y23 VanDerWaalsContact O-N 3.15Å; Y23-S229 WeakPolarHBondContact CD1-OG 3.38Å; Y23-S229 VanDerWaalsContact CE1-OG 3.3Å; Y23-S229 WeakPolarHBondContact CE1-OG 3.44Å; Y23-F230 VanDerWaalsContact CD1-C 3.48Å; Y23-F230 WeakPolarHBondContact CD1-O 3.46Å; Y23-K231 HydrophobicContact CD1-CB 4.2Å; Y23-K231 HydrophobicContact CE1-CB 3.44Å; Y23-K231 VanDerWaalsContact CE1-CB 3.44Å; Y23-K231 HydrophobicContact CE2-CB 4.41Å; Y23-K231 HydrophobicContact CE2-CD 4.23Å; Y23-K231 VanDerWaalsContact OH-CD 3.22Å; Y23-K231 WeakPolarHBondContact OH-CD 3.39Å
24	F	45.7	Very low	40.6	Very low	39 Å²	39	91.6 Å²	91.6	17%	0.171	47%	0.468	C	S	.	.			trans	-95	132	178	-72.7	-83.2	0	0	0	111.9	I130 S229	F24-I130 HydrophobicContact CD1-CG2 3.45Å; F24-I130 VanDerWaalsContact CD1-CG2 3.45Å; F24-I130 HydrophobicContact CD2-CB 4.14Å; F24-I130 HydrophobicContact CD2-CD1 4Å; F24-I130 HydrophobicContact CD2-CG1 3.57Å; F24-I130 HydrophobicContact CD2-CG2 3.66Å; F24-I130 HydrophobicContact CE1-CB 4.27Å; F24-I130 HydrophobicContact CE1-CG2 3.02Å; F24-I130 HydrophobicContact CE2-CB 3.75Å; F24-I130 HydrophobicContact CE2-CD1 3.05Å; F24-I130 HydrophobicContact CE2-CG1 3.11Å; F24-I130 HydrophobicContact CE2-CG2 3.33Å; F24-I130 HydrophobicContact CG-CG2 3.78Å; F24-I130 HydrophobicContact CZ-CB 3.83Å; F24-I130 HydrophobicContact CZ-CD1 3.45Å; F24-I130 VanDerWaalsContact CZ-CD1 3.45Å; F24-I130 HydrophobicContact CZ-CG1 3.68Å; F24-I130 HydrophobicContact CZ-CG2 3.01Å; F24-S229 WeakPolarHBondContact O-CA 3.42Å
25	Y	42.9	Very low	41.7	Very low	64 Å²	64	89.3 Å²	89.3	25%	0.251	46%	0.46	S	S	.	.			trans	-111.2	134.2	179.7	-53	-59.1	0	0	0	110.9	L227 Q228	Y25-L227 HydrophobicContact CD1-CD1 3.45Å; Y25-L227 VanDerWaalsContact CD1-CD1 3.45Å; Y25-L227 HydrophobicContact CD1-CD2 3.43Å; Y25-L227 VanDerWaalsContact CD1-CD2 3.43Å; Y25-L227 HydrophobicContact CD1-CG 3.25Å; Y25-L227 HydrophobicContact CD2-CD1 4.44Å; Y25-L227 HydrophobicContact CE1-CD1 3.99Å; Y25-L227 HydrophobicContact CE1-CD2 3.11Å; Y25-L227 HydrophobicContact CE1-CG 3.57Å; Y25-L227 HydrophobicContact CG-CD1 3.67Å; Y25-L227 HydrophobicContact CG-CD2 4.36Å; Y25-L227 HydrophobicContact CG-CG 4.02Å; Y25-Q228 WeakPolarHBondContact CD1-O 3.3Å
26	S	43.5	Very low	43	Very low	27 Å²	27	83.3 Å²	83.3	19%	0.189	43%	0.432	C	S	.	.			trans	-134	125.8	177.4	-66.9	0	0	0	0	110.6	P176	S26-P176 WeakPolarHBondContact OG-CG 3.3Å
27	N	41.2	Very low	44.1	Very low	97 Å²	97	79.7 Å²	79.7	52%	0.519	40%	0.404	S	S	.	.			trans	-84.9	142.3	175.8	-71.2	-22.4	0	0	0	110.5
28	I	47.1	Very low	45.3	Very low	32 Å²	32	76.1 Å²	76.1	16%	0.164	38%	0.378	C	S	.	.			trans	-72.5	133.5	179.5	-51.3	171.6	0	0	0	108.9	Y30 A178	I28-Y30 HydrophobicContact CB-CE2 4.34Å; I28-Y30 WeakPolarHBondContact O-CD2 3.44Å; I28-Y30 PolarHBondContact O-N 3.38Å; I28-A178 HydrophobicContact CB-CB 4.43Å; I28-A178 HydrophobicContact CD1-CB 3.25Å; I28-A178 HydrophobicContact CG1-CB 3.5Å; I28-A178 VanDerWaalsContact CG1-CB 3.5Å; I28-A178 HydrophobicContact CG2-CB 4.09Å
29	L	44.9	Very low	46	Very low	65 Å²	65	71 Å²	71	34%	0.34	35%	0.35	S	S	.	.			trans	-78.3	102.7	164.3	-64	170.8	0	0	0	108.3	T9 D31 I32	T9-L29 HydrophobicContact CG2-CD2 4.18Å; L29-D31 PolarHBondContact O-N 2.71Å; L29-I32 HydrophobicContact CB-CD1 3.81Å; L29-I32 HydrophobicContact CB-CG1 3.94Å; L29-I32 HydrophobicContact CD1-CD1 4.41Å; L29-I32 WeakPolarHBondContact O-CG1 3.07Å
30	Y	44.7	Very low	46.9	Very low	84 Å²	84	65.8 Å²	65.8	33%	0.329	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-19.6	-178.1	-67.4	-83.3	0	0	0	113.6	I28 I32 Q37 L224 V225	I28-Y30 HydrophobicContact CB-CE2 4.34Å; I28-Y30 WeakPolarHBondContact O-CD2 3.44Å; I28-Y30 PolarHBondContact O-N 3.38Å; Y30-I32 PolarHBondContact O-N 3.45Å; Y30-Q37 PolarHBondContact O-NE2 3.11Å; Y30-L224 HydrophobicContact CE1-CB 3.98Å; Y30-L224 PolarHBondContact OH-O 2.9Å; Y30-V225 HydrophobicContact CE2-CG2 4.44Å; Y30-V225 WeakPolarHBondContact OH-CG2 3.12Å; Y30-V225 PolarHBondContact OH-N 3.1Å
31	D	45.7	Very low	47.6	Very low	164 Å²	164	67 Å²	67	88%	0.877	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	8	-175	-59.2	-30.2	0	0	0	114.2	L29	L29-D31 PolarHBondContact O-N 2.71Å
32	I	52.8	Low	48.1	Very low	10 Å²	10	61.5 Å²	61.5	5%	0.051	30%	0.299	C	S	.	.	S	Bend	trans	-76.8	138.3	178.6	-60.8	179.7	0	0	0	109.7	L29 Y30 I34 Y36 Q37 M40 L165	L29-I32 HydrophobicContact CB-CD1 3.81Å; L29-I32 HydrophobicContact CB-CG1 3.94Å; L29-I32 HydrophobicContact CD1-CD1 4.41Å; L29-I32 WeakPolarHBondContact O-CG1 3.07Å; Y30-I32 PolarHBondContact O-N 3.45Å; I32-I34 PolarHBondContact O-N 3.15Å; I32-Y36 HydrophobicContact CG2-CD2 4.29Å; I32-Y36 HydrophobicContact CG2-CG 4.47Å; I32-Q37 HydrophobicContact CB-CG 4.42Å; I32-Q37 WeakPolarHBondContact O-CG 3.29Å; I32-Q37 PolarHBondContact O-NE2 3.5Å; I32-M40 HydrophobicContact CD1-CE 3.98Å; I32-M40 HydrophobicContact CD1-SD 3.33Å; I32-M40 WeakPolarHBondContact CD1-SD 3.47Å; I32-L165 HydrophobicContact CD1-CD2 3.52Å; I32-L165 HydrophobicContact CG1-CD2 3.7Å
33	P	52.2	Low	48.2	Very low	59 Å²	59	56.8 Å²	56.8	38%	0.383	28%	0.279	S	S	.	.			trans	-55	139.4	176.1	-24.2	31.7	0	0	0	113	Q35 Y36 Q37	P33-Q35 HydrophobicContact CB-CG 4.35Å; P33-Q35 PolarHBondContact O-N 3.24Å; P33-Y36 HydrophobicContact CB-CD2 3.78Å; P33-Y36 HydrophobicContact CB-CE2 4.01Å; P33-Y36 HydrophobicContact CG-CD2 4Å; P33-Y36 HydrophobicContact CG-CE2 4.08Å; P33-Y36 PolarHBondContact O-N 3.47Å; P33-Q37 PolarHBondContact O-N 2.74Å
34	I	55.7	Low	48.1	Very low	89 Å²	89	55.4 Å²	55.4	46%	0.456	27%	0.273	S	S	.	.	H	α-helix	trans	-54.6	-33.7	-169.4	-162.5	162.6	0	0	0	114.3	I32 Y36 Q37 P185	I32-I34 PolarHBondContact O-N 3.15Å; I34-Y36 PolarHBondContact O-N 3.41Å; I34-Q37 WeakPolarHBondContact O-CB 3.32Å; I34-Q37 PolarHBondContact O-N 2.85Å; I34-Q37 VanDerWaalsContact O-N 3.16Å; I34-P185 WeakPolarHBondContact CD1-O 3.41Å
35	Q	56	Low	47.7	Very low	127 Å²	127	55.7 Å²	55.7	59%	0.593	28%	0.28	S	S	*	.	H	α-helix	trans	-60.5	-28.6	176.9	66.6	-145.3	31.6	0	0	113.7	P33	P33-Q35 HydrophobicContact CB-CG 4.35Å; P33-Q35 PolarHBondContact O-N 3.24Å
36	Y	54.2	Low	47.4	Very low	50 Å²	50	57.1 Å²	57.1	20%	0.196	30%	0.297	C	S	.	.	H	α-helix	trans	-93.8	-24	177	-52.1	-67.4	0	0	0	112.1	I32 P33 I34 Y38 L39 M40	I32-Y36 HydrophobicContact CG2-CD2 4.29Å; I32-Y36 HydrophobicContact CG2-CG 4.47Å; P33-Y36 HydrophobicContact CB-CD2 3.78Å; P33-Y36 HydrophobicContact CB-CE2 4.01Å; P33-Y36 HydrophobicContact CG-CD2 4Å; P33-Y36 HydrophobicContact CG-CE2 4.08Å; P33-Y36 PolarHBondContact O-N 3.47Å; I34-Y36 PolarHBondContact O-N 3.41Å; Y36-Y38 PolarHBondContact O-N 3.17Å; Y36-L39 PolarHBondContact O-N 3.04Å; Y36-M40 PolarHBondContact O-N 3.45Å
37	Q	51.9	Low	46.7	Very low	33 Å²	33	58.8 Å²	58.8	15%	0.154	32%	0.318	C	S	.	.	H	α-helix	trans	-58.7	-35.5	178.8	-65.8	-172.4	16.5	0	0	111.9	Y30 I32 P33 I34 M40 R41	Y30-Q37 PolarHBondContact O-NE2 3.11Å; I32-Q37 HydrophobicContact CB-CG 4.42Å; I32-Q37 WeakPolarHBondContact O-CG 3.29Å; I32-Q37 PolarHBondContact O-NE2 3.5Å; P33-Q37 PolarHBondContact O-N 2.74Å; I34-Q37 WeakPolarHBondContact O-CB 3.32Å; I34-Q37 PolarHBondContact O-N 2.85Å; I34-Q37 VanDerWaalsContact O-N 3.16Å; Q37-M40 PolarHBondContact O-N 2.89Å; Q37-R41 VanDerWaalsContact O-CB 3.25Å; Q37-R41 WeakPolarHBondContact O-CB 3.41Å; Q37-R41 WeakPolarHBondContact O-CD 3.41Å; Q37-R41 WeakPolarHBondContact O-CG 3.41Å; Q37-R41 PolarHBondContact O-N 3.16Å; Q37-R41 VanDerWaalsContact OE1-CZ 3.3Å
38	Y	53.1	Low	46.2	Very low	32 Å²	32	58.9 Å²	58.9	13%	0.125	32%	0.316	C	S	.	.	H	α-helix	trans	-60.1	-52.5	179.1	-175.1	-112	0	0	0	112.3	Y36 M40 R41 A42 F187 H191 E194	Y36-Y38 PolarHBondContact O-N 3.17Å; Y38-M40 VanDerWaalsContact C-N 3.32Å; Y38-M40 PolarHBondContact O-N 3.25Å; Y38-R41 PolarHBondContact O-N 3.26Å; Y38-R41 VanDerWaalsContact O-N 3.14Å; Y38-A42 HydrophobicContact CD2-CB 4.27Å; Y38-A42 HydrophobicContact CE1-CB 4.41Å; Y38-A42 HydrophobicContact CE2-CB 3.92Å; Y38-A42 WeakPolarHBondContact O-CB 3.46Å; Y38-A42 PolarHBondContact O-N 3.45Å; Y38-F187 AromaticContact CD2-CD1 3.95Å; Y38-F187 HydrophobicContact CD2-CD1 3.95Å; Y38-F187 AromaticContact CD2-CE1 3.63Å; Y38-F187 HydrophobicContact CD2-CE1 3.63Å; Y38-F187 HydrophobicContact CG-CE1 4.26Å; Y38-H191 HydrophobicContact CD2-CB 4.2Å; Y38-H191 HydrophobicContact CE2-CB 3.59Å; Y38-H191 AromaticContact CE2-CD2 3.51Å; Y38-H191 AromaticContact CE2-CG 3.64Å; Y38-H191 AromaticContact CZ-CD2 3.48Å; Y38-H191 VanDerWaalsContact CZ-CD2 3.48Å; Y38-E194 PolarHBondContact OH-OE2 3.23Å
39	L	49.4	Very low	45.2	Very low	62 Å²	62	63.8 Å²	63.8	33%	0.325	34%	0.336	S	S	.	.	H	α-helix	trans	-65	-36.8	-178.2	-70.1	172.8	0	0	0	112	Y36 R41 G43 Y44	Y36-L39 PolarHBondContact O-N 3.04Å; L39-R41 VanDerWaalsContact C-N 3.33Å; L39-R41 PolarHBondContact O-N 3.23Å; L39-G43 VanDerWaalsContact O-CA 3.23Å; L39-G43 WeakPolarHBondContact O-CA 3.42Å; L39-G43 PolarHBondContact O-N 3.04Å; L39-Y44 HydrophobicContact CD1-CE1 4.47Å; L39-Y44 HydrophobicContact CD2-CD1 4.09Å; L39-Y44 HydrophobicContact CD2-CE1 3.73Å
40	M	49.5	Very low	44.5	Very low	57 Å²	57	60.9 Å²	60.9	28%	0.281	32%	0.321	S	S	.	.	H	α-helix	trans	-69.4	-28.8	175.1	-68.5	-170	87.2	0	0	113.5	I32 Y36 Q37 Y38 L141 V167 K177 A178	I32-M40 HydrophobicContact CD1-CE 3.98Å; I32-M40 HydrophobicContact CD1-SD 3.33Å; I32-M40 WeakPolarHBondContact CD1-SD 3.47Å; Y36-M40 PolarHBondContact O-N 3.45Å; Q37-M40 PolarHBondContact O-N 2.89Å; Y38-M40 VanDerWaalsContact C-N 3.32Å; Y38-M40 PolarHBondContact O-N 3.25Å; M40-L141 HydrophobicContact CE-CD2 4.47Å; M40-V167 HydrophobicContact CE-CG1 4.23Å; M40-V167 HydrophobicContact CE-CG2 4.29Å; M40-V167 HydrophobicContact CG-CB 4.44Å; M40-V167 HydrophobicContact CG-CG1 3.98Å; M40-V167 HydrophobicContact CG-CG2 4.47Å; M40-V167 HydrophobicContact SD-CB 4.34Å; M40-V167 HydrophobicContact SD-CG1 4.16Å; M40-V167 HydrophobicContact SD-CG2 3.75Å; M40-K177 WeakPolarHBondContact O-CA 3.38Å; M40-K177 VanDerWaalsContact O-CB 3.29Å; M40-K177 WeakPolarHBondContact O-CB 3.5Å; M40-A178 PolarHBondContact O-N 3.18Å; M40-A178 VanDerWaalsContact O-N 3.15Å
41	R	49.2	Very low	43.8	Very low	42 Å²	42	58.3 Å²	58.3	16%	0.158	31%	0.314	C	S	.	.	H	α-helix	trans	-87.4	-43.3	-179.6	-73.4	168.5	-177.2	-157.3	5.6	112.7	Q37 Y38 L39 A178 A180	Q37-R41 VanDerWaalsContact O-CB 3.25Å; Q37-R41 WeakPolarHBondContact O-CB 3.41Å; Q37-R41 WeakPolarHBondContact O-CD 3.41Å; Q37-R41 WeakPolarHBondContact O-CG 3.41Å; Q37-R41 PolarHBondContact O-N 3.16Å; Q37-R41 VanDerWaalsContact OE1-CZ 3.3Å; Y38-R41 PolarHBondContact O-N 3.26Å; Y38-R41 VanDerWaalsContact O-N 3.14Å; L39-R41 VanDerWaalsContact C-N 3.33Å; L39-R41 PolarHBondContact O-N 3.23Å; R41-A178 HydrophobicContact CB-CB 4.23Å; R41-A178 HydrophobicContact CG-CB 3.42Å; R41-A178 VanDerWaalsContact CG-CB 3.42Å; R41-A180 HydrophobicContact CG-CB 4.04Å
42	A	45.9	Very low	42.9	Very low	6 Å²	6	56.5 Å²	56.5	5%	0.05	30%	0.301	C	S	.	.	H	α-helix	trans	-100.3	-21.7	-171.9	0	0	0	0	0	113.3	Y38 L195 Y198	Y38-A42 HydrophobicContact CD2-CB 4.27Å; Y38-A42 HydrophobicContact CE1-CB 4.41Å; Y38-A42 HydrophobicContact CE2-CB 3.92Å; Y38-A42 WeakPolarHBondContact O-CB 3.46Å; Y38-A42 PolarHBondContact O-N 3.45Å; A42-L195 HydrophobicContact CB-CD2 3.76Å; A42-L195 HydrophobicContact CB-CG 4.48Å; A42-Y198 VanDerWaalsContact O-CE2 3.24Å; A42-Y198 WeakPolarHBondContact O-CE2 3Å; A42-Y198 PolarHBondContact O-OH 3.24Å
43	G	45.5	Very low	41.6	Very low	4 Å²	4	61.5 Å²	61.5	4%	0.041	32%	0.324	C	S	.	.			trans	67.4	-156.7	-164.3	0	0	0	0	0	113	L39	L39-G43 VanDerWaalsContact O-CA 3.23Å; L39-G43 WeakPolarHBondContact O-CA 3.42Å; L39-G43 PolarHBondContact O-N 3.04Å
44	Y	39.7	Very low	40.5	Very low	20 Å²	20	61.1 Å²	61.1	8%	0.078	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-92.5	147.7	-175.5	-62.9	-77.5	0	0	0	113.9	L39 T51 Q169 D170 R197	L39-Y44 HydrophobicContact CD1-CE1 4.47Å; L39-Y44 HydrophobicContact CD2-CD1 4.09Å; L39-Y44 HydrophobicContact CD2-CE1 3.73Å; Y44-T51 WeakPolarHBondContact O-CG2 3.35Å; Y44-Q169 HydrophobicContact CE1-CB 3.97Å; Y44-Q169 VanDerWaalsContact CE1-CD 3.5Å; Y44-Q169 HydrophobicContact CE1-CG 3.71Å; Y44-Q169 HydrophobicContact CE2-CB 4.01Å; Y44-Q169 VanDerWaalsContact CZ-CB 3.41Å; Y44-Q169 WeakPolarHBondContact OH-CA 3.45Å; Y44-Q169 WeakPolarHBondContact OH-CB 3.23Å; Y44-Q169 WeakPolarHBondContact OH-CG 3.16Å; Y44-D170 VanDerWaalsContact CE2-O 3.3Å; Y44-D170 WeakPolarHBondContact CE2-O 3.3Å; Y44-R197 PolarHBondContact O-NH1 3.11Å
45	S	36.8	Very low	39.2	Very low	45 Å²	45	58.6 Å²	58.6	32%	0.315	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-61.6	152.6	171.5	-51.8	0	0	0	0	111.1	H48	S45-H48 PolarHBondContact O-N 3.11Å; S45-H48 PolarHBondContact O-ND1 3.12Å
46	P	35.5	Very low	37.9	Very low	94 Å²	94	57.7 Å²	57.7	61%	0.61	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	148.3	178.6	-25.2	35	0	0	0	113.1	H48	P46-H48 VanDerWaalsContact C-N 3.33Å; P46-H48 PolarHBondContact O-N 3.4Å; P46-H48 PolarHBondContact O-ND1 3.46Å
47	G	29.1	Very low	36.7	Very low	62 Å²	62	59.8 Å²	59.8	64%	0.639	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.9	-0.4	-179.3	0	0	0	0	0	116
48	H	31.3	Very low	35.5	Very low	99 Å²	99	64.3 Å²	64.3	46%	0.458	34%	0.344	S	S	.	.	S	Bend	trans	-89.7	143.7	174.4	-68.9	75.8	0	0	0	110.9	S45 P46 G50 T51	S45-H48 PolarHBondContact O-N 3.11Å; S45-H48 PolarHBondContact O-ND1 3.12Å; P46-H48 VanDerWaalsContact C-N 3.33Å; P46-H48 PolarHBondContact O-N 3.4Å; P46-H48 PolarHBondContact O-ND1 3.46Å; H48-G50 PolarHBondContact O-N 3.24Å; H48-G50 VanDerWaalsContact O-N 3.11Å; H48-T51 PolarHBondContact O-N 3.49Å; H48-T51 PolarHBondContact O-OG1 2.97Å
49	F	25.9	Very low	34.3	Very low	136 Å²	136	64.6 Å²	64.6	60%	0.596	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	123.3	-175.9	-143.8	-93.6	0	0	0	110.2	I171	F49-I171 HydrophobicContact CB-CG2 4.11Å; F49-I171 HydrophobicContact CD1-CG2 3.77Å; F49-I171 HydrophobicContact CG-CG2 4.44Å; F49-I171 WeakPolarHBondContact O-CG2 3.32Å
50	G	29.9	Very low	33.3	Very low	3 Å²	3	64.6 Å²	64.6	3%	0.031	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.7	11.5	180	0	0	0	0	0	118.1	H48 I171 Q173	H48-G50 PolarHBondContact O-N 3.24Å; H48-G50 VanDerWaalsContact O-N 3.11Å; G50-I171 CarbonylContact C-O 3.48Å; G50-I171 WeakPolarHBondContact CA-O 3.46Å; G50-Q173 WeakPolarHBondContact O-CG 2.9Å
51	T	30	Very low	32.9	Very low	30 Å²	30	71.3 Å²	71.3	18%	0.184	38%	0.384	C	S	.	.	S	Bend	trans	-67.8	-21.6	147	55.5	0	0	0	0	112.7	Y44 H48 Q173	Y44-T51 WeakPolarHBondContact O-CG2 3.35Å; H48-T51 PolarHBondContact O-N 3.49Å; H48-T51 PolarHBondContact O-OG1 2.97Å; T51-Q173 VanDerWaalsContact CA-NE2 3.35Å
52	E	26.8	Very low	32	Very low	127 Å²	127	73.3 Å²	73.3	59%	0.593	41%	0.405	S	S	*	.	S	Bend	trans	-128.4	-20.5	-168.9	-70.4	171.4	-160.4	0	0	114.3
53	Q	26.5	Very low	31.7	Very low	114 Å²	114	81.1 Å²	81.1	53%	0.533	44%	0.44	S	S	.	.			trans	-117.4	90.6	-174	-64.3	-170.9	-1	0	0	111.1
54	N	29.4	Very low	31.3	Very low	51 Å²	51	81.9 Å²	81.9	27%	0.273	45%	0.447	S	S	.	.	P	Polyproline II helix	trans	-77.2	128.4	164	-84	-29.6	0	0	0	109.1	I56 H172	N54-I56 PolarHBondContact O-N 3.01Å; N54-I56 VanDerWaalsContact O-N 3.15Å; N54-H172 PolarHBondContact OD1-O 3.45Å; N54-H172 VanDerWaalsContact OD1-O 3.13Å
55	P	28.2	Very low	30.8	Very low	36 Å²	36	85.9 Å²	85.9	23%	0.234	47%	0.465	C	S	.	.	P	Polyproline II helix	trans	-66.1	116.9	175.4	26	-32.6	0	0	0	109.7	T89 F174	P55-T89 HydrophobicContact CB-CG2 4.2Å; P55-T89 HydrophobicContact CG-CG2 4.08Å; P55-F174 HydrophobicContact CG-CE2 4.01Å; P55-F174 HydrophobicContact CG-CZ 3.72Å
56	I	28.9	Very low	30.6	Very low	108 Å²	108	87 Å²	87	55%	0.554	47%	0.473	S	S	*	.	P	Polyproline II helix	trans	-76.5	119.3	168.9	-57.8	175.3	0	0	0	107.1	N54 I58	N54-I56 PolarHBondContact O-N 3.01Å; N54-I56 VanDerWaalsContact O-N 3.15Å; I56-I58 HydrophobicContact CB-CG1 4.44Å; I56-I58 HydrophobicContact CG2-CD1 4.49Å; I56-I58 HydrophobicContact CG2-CG1 3.72Å; I56-I58 PolarHBondContact O-N 3.46Å
57	I	29.5	Very low	30.3	Very low	94 Å²	94	89.1 Å²	89.1	48%	0.482	47%	0.473	S	S	.	.			trans	-82.2	103.3	170.6	-54.3	175.7	0	0	0	106.8	P59 Y93	I57-P59 WeakPolarHBondContact O-CD 3.3Å; I57-Y93 HydrophobicContact CD1-CE1 3.7Å; I57-Y93 WeakPolarHBondContact CD1-OH 3.45Å; I57-Y93 HydrophobicContact CG1-CE1 4.44Å
58	I	26.1	Very low	30.4	Very low	128 Å²	128	87.8 Å²	87.8	66%	0.656	45%	0.451	S	S	*	.			trans	-91.7	115.6	178.2	-56.6	176.9	0	0	0	108.7	I56	I56-I58 HydrophobicContact CB-CG1 4.44Å; I56-I58 HydrophobicContact CG2-CD1 4.49Å; I56-I58 HydrophobicContact CG2-CG1 3.72Å; I56-I58 PolarHBondContact O-N 3.46Å
59	P	28.2	Very low	30.4	Very low	39 Å²	39	88 Å²	88	25%	0.253	45%	0.454	S	S	.	.			trans	-72.5	143.1	169.4	28	-29.5	0	0	0	110.3	I57 L244	I57-P59 WeakPolarHBondContact O-CD 3.3Å; P59-L244 HydrophobicContact CB-CD2 4.04Å; P59-L244 HydrophobicContact CG-CB 4.15Å; P59-L244 HydrophobicContact CG-CD2 3.74Å; P59-L244 HydrophobicContact CG-CG 4.4Å
60	P	28.1	Very low	30.7	Very low	61 Å²	61	86.9 Å²	86.9	40%	0.396	45%	0.451	S	S	.	.			trans	-69.9	150.8	-172	27.4	-33	0	0	0	112.5	S62 L68	P60-S62 PolarHBondContact O-N 3.47Å; P60-L68 HydrophobicContact CG-CD1 3.43Å; P60-L68 VanDerWaalsContact CG-CD1 3.43Å; P60-L68 HydrophobicContact CG-CG 3.8Å
61	E	39.9	Very low	30.8	Very low	198 Å²	198	88.9 Å²	88.9	93%	0.925	46%	0.461	S	S	*	.	S	Bend	trans	-80.8	-2.5	-155.4	-61.2	175.9	165.6	0	0	115.8
62	S	31.9	Very low	31.1	Very low	85 Å²	85	90.7 Å²	90.7	59%	0.594	47%	0.465	S	S	*	.	S	Bend	trans	-116.3	166	-177.6	66.9	0	0	0	0	112	P60 G64 K65	P60-S62 PolarHBondContact O-N 3.47Å; S62-G64 PolarHBondContact O-N 2.9Å; S62-K65 PolarHBondContact O-N 3.39Å
63	H	38.2	Very low	31.7	Very low	169 Å²	169	88.5 Å²	88.5	78%	0.782	47%	0.468	S	S	*	.	S	Bend	trans	-53.1	-1.7	176.9	-73.1	-77.8	0	0	0	114.8	K65	H63-K65 PolarHBondContact O-N 3.07Å
64	G	37	Very low	32.9	Very low	20 Å²	20	86 Å²	86	21%	0.206	46%	0.458	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	25.1	164.1	0	0	0	0	0	116.1	S62 S66 K67 L68	S62-G64 PolarHBondContact O-N 2.9Å; G64-S66 PolarHBondContact O-N 3.29Å; G64-S66 VanDerWaalsContact O-N 3.1Å; G64-K67 PolarHBondContact O-N 3.44Å; G64-L68 PolarHBondContact O-N 3.25Å
65	K	30.6	Very low	34	Very low	105 Å²	105	85.3 Å²	85.3	46%	0.457	45%	0.454	S	S	.	.	H	α-helix	trans	-52.8	-26.6	165.3	-77.1	-169.6	-174.8	-170.5	0	112.2	S62 H63 L244	S62-K65 PolarHBondContact O-N 3.39Å; H63-K65 PolarHBondContact O-N 3.07Å; K65-L244 HydrophobicContact CD-CD2 4.09Å
66	S	32.4	Very low	35.7	Very low	68 Å²	68	89.2 Å²	89.2	48%	0.476	47%	0.473	S	S	.	.	H	α-helix	trans	-75.1	-38.3	170.4	51	0	0	0	0	113.1	G64 L68 I69 E70	G64-S66 PolarHBondContact O-N 3.29Å; G64-S66 VanDerWaalsContact O-N 3.1Å; S66-L68 PolarHBondContact O-N 2.89Å; S66-I69 WeakPolarHBondContact O-CB 3.26Å; S66-I69 PolarHBondContact O-N 2.86Å; S66-I69 VanDerWaalsContact O-N 3.11Å; S66-E70 PolarHBondContact O-N 3.26Å
67	K	29.5	Very low	36.9	Very low	139 Å²	139	88.9 Å²	88.9	60%	0.604	47%	0.469	S	S	*	.	H	α-helix	trans	-67.5	-31.1	-175.9	-110.4	-173.7	-179	-175.1	0	113.9	G64 I69 E70 L71	G64-K67 PolarHBondContact O-N 3.44Å; K67-I69 VanDerWaalsContact C-N 3.34Å; K67-E70 CarbonylContact O-C 3.49Å; K67-E70 WeakPolarHBondContact O-CB 3.24Å; K67-E70 PolarHBondContact O-N 3.35Å; K67-L71 WeakPolarHBondContact O-CB 3.4Å; K67-L71 WeakPolarHBondContact O-CG 3.45Å; K67-L71 PolarHBondContact O-N 2.87Å
68	L	29.6	Very low	37.8	Very low	33 Å²	33	85 Å²	85	17%	0.173	45%	0.449	C	S	.	.	H	α-helix	trans	-68.7	-36.6	172.6	-110.9	-172.4	0	0	0	112	P60 G64 S66 E70 L71 Y72	P60-L68 HydrophobicContact CG-CD1 3.43Å; P60-L68 VanDerWaalsContact CG-CD1 3.43Å; P60-L68 HydrophobicContact CG-CG 3.8Å; G64-L68 PolarHBondContact O-N 3.25Å; S66-L68 PolarHBondContact O-N 2.89Å; L68-E70 PolarHBondContact O-N 3.38Å; L68-L71 HydrophobicContact CD2-CB 4.18Å; L68-L71 HydrophobicContact CD2-CD1 3.94Å; L68-L71 HydrophobicContact CG-CD1 4.4Å; L68-L71 PolarHBondContact O-N 3.45Å; L68-Y72 HydrophobicContact CB-CE2 4.12Å; L68-Y72 HydrophobicContact CD1-CE2 4.42Å; L68-Y72 HydrophobicContact CD2-CE1 4.13Å; L68-Y72 HydrophobicContact CD2-CE2 4.1Å; L68-Y72 HydrophobicContact CG-CE2 4.47Å; L68-Y72 WeakPolarHBondContact O-CB 3.41Å; L68-Y72 WeakPolarHBondContact O-CD2 3.46Å; L68-Y72 PolarHBondContact O-N 3.02Å
69	I	31.6	Very low	39.2	Very low	104 Å²	104	79.8 Å²	79.8	53%	0.533	42%	0.424	S	S	.	.	H	α-helix	trans	-61.2	-39.8	172.3	-60.7	172.2	0	0	0	109.5	S66 K67 Y72 A73	S66-I69 WeakPolarHBondContact O-CB 3.26Å; S66-I69 PolarHBondContact O-N 2.86Å; S66-I69 VanDerWaalsContact O-N 3.11Å; K67-I69 VanDerWaalsContact C-N 3.34Å; I69-Y72 PolarHBondContact O-N 3.35Å; I69-A73 PolarHBondContact O-N 2.91Å
70	E	32.9	Very low	40.7	Very low	113 Å²	113	85.2 Å²	85.2	53%	0.528	44%	0.444	S	S	.	.	H	α-helix	trans	-67.8	-40	172.8	-67.8	173.1	179.2	0	0	113.1	S66 K67 L68 Y72 A73 N74	S66-E70 PolarHBondContact O-N 3.26Å; K67-E70 CarbonylContact O-C 3.49Å; K67-E70 WeakPolarHBondContact O-CB 3.24Å; K67-E70 PolarHBondContact O-N 3.35Å; L68-E70 PolarHBondContact O-N 3.38Å; E70-Y72 VanDerWaalsContact C-N 3.26Å; E70-Y72 PolarHBondContact O-N 2.76Å; E70-A73 CarbonylContact O-C 3.53Å; E70-A73 WeakPolarHBondContact O-CA 3.38Å; E70-A73 VanDerWaalsContact O-CB 3.31Å; E70-A73 WeakPolarHBondContact O-CB 3.45Å; E70-A73 PolarHBondContact O-N 3.49Å; E70-N74 PolarHBondContact O-N 3.25Å
71	L	31.3	Very low	41.7	Very low	45 Å²	45	87.4 Å²	87.4	24%	0.236	45%	0.448	C	S	.	.	H	α-helix	trans	-62.2	-35.3	172.6	-76.5	163.6	0	0	0	111	K67 L68 A73 N74 E77	K67-L71 WeakPolarHBondContact O-CB 3.4Å; K67-L71 WeakPolarHBondContact O-CG 3.45Å; K67-L71 PolarHBondContact O-N 2.87Å; L68-L71 HydrophobicContact CD2-CB 4.18Å; L68-L71 HydrophobicContact CD2-CD1 3.94Å; L68-L71 HydrophobicContact CG-CD1 4.4Å; L68-L71 PolarHBondContact O-N 3.45Å; L71-A73 VanDerWaalsContact C-N 3.3Å; L71-N74 CarbonylContact O-C 3.6Å; L71-N74 VanDerWaalsContact O-C 3.25Å; L71-N74 PolarHBondContact O-N 3.47Å; L71-E77 HydrophobicContact CD2-CB 3.39Å; L71-E77 HydrophobicContact CD2-CG 4.38Å; L71-E77 WeakPolarHBondContact CD2-OE2 3.45Å
72	Y	36.5	Very low	41.9	Very low	68 Å²	68	78.1 Å²	78.1	27%	0.267	40%	0.404	S	S	.	.	H	α-helix	trans	-70.4	-27	171.9	-62.8	-45.5	0	0	0	112.3	L68 I69 E70 F78 Y97 I101	L68-Y72 HydrophobicContact CB-CE2 4.12Å; L68-Y72 HydrophobicContact CD1-CE2 4.42Å; L68-Y72 HydrophobicContact CD2-CE1 4.13Å; L68-Y72 HydrophobicContact CD2-CE2 4.1Å; L68-Y72 HydrophobicContact CG-CE2 4.47Å; L68-Y72 WeakPolarHBondContact O-CB 3.41Å; L68-Y72 WeakPolarHBondContact O-CD2 3.46Å; L68-Y72 PolarHBondContact O-N 3.02Å; I69-Y72 PolarHBondContact O-N 3.35Å; E70-Y72 VanDerWaalsContact C-N 3.26Å; E70-Y72 PolarHBondContact O-N 2.76Å; Y72-F78 HydrophobicContact CD1-CD2 4.37Å; Y72-F78 HydrophobicContact CD1-CE2 4.34Å; Y72-F78 HydrophobicContact CE1-CD2 4.17Å; Y72-F78 HydrophobicContact CE1-CE1 4.49Å; Y72-F78 AromaticContact CE1-CE2 3.74Å; Y72-F78 HydrophobicContact CE1-CE2 3.74Å; Y72-F78 AromaticContact CE1-CZ 3.93Å; Y72-F78 HydrophobicContact CE1-CZ 3.93Å; Y72-Y97 HydrophobicContact CD1-CD2 4.45Å; Y72-Y97 HydrophobicContact CD1-CE1 4.35Å; Y72-Y97 HydrophobicContact CD1-CE2 4.26Å; Y72-Y97 HydrophobicContact CE1-CD2 4.47Å; Y72-Y97 AromaticContact CE1-CE2 3.94Å; Y72-Y97 HydrophobicContact CE1-CE2 3.94Å; Y72-I101 WeakPolarHBondContact O-CD1 3.21Å
73	A	39.8	Very low	42.9	Very low	80 Å²	80	79.1 Å²	79.1	66%	0.661	40%	0.403	S	S	*	.	H	α-helix	trans	-75.5	-33.2	170.1	0	0	0	0	0	112	I69 E70 L71	I69-A73 PolarHBondContact O-N 2.91Å; E70-A73 CarbonylContact O-C 3.53Å; E70-A73 WeakPolarHBondContact O-CA 3.38Å; E70-A73 VanDerWaalsContact O-CB 3.31Å; E70-A73 WeakPolarHBondContact O-CB 3.45Å; E70-A73 PolarHBondContact O-N 3.49Å; L71-A73 VanDerWaalsContact C-N 3.3Å
74	N	50.8	Low	43.7	Very low	61 Å²	61	75.5 Å²	75.5	33%	0.326	39%	0.393	S	S	.	.			trans	-103.1	84.1	179.1	-167.7	-10.7	0	0	0	112.2	E70 L71 N76 E77 F78	E70-N74 PolarHBondContact O-N 3.25Å; L71-N74 CarbonylContact O-C 3.6Å; L71-N74 VanDerWaalsContact O-C 3.25Å; L71-N74 PolarHBondContact O-N 3.47Å; N74-N76 PolarHBondContact O-N 2.85Å; N74-N76 PolarHBondContact OD1-N 2.83Å; N74-E77 HydrophobicContact CB-CG 4.49Å; N74-E77 PolarHBondContact ND2-OE1 3.08Å; N74-E77 PolarHBondContact O-N 3.22Å; N74-F78 PolarHBondContact O-N 3.32Å
75	I	52.5	Low	43.8	Very low	38 Å²	38	78.1 Å²	78.1	20%	0.195	40%	0.402	C	S	.	.	H	α-helix	trans	-50.9	-32.1	-176.2	-157.2	104.1	0	0	0	114.2	F78 A79 Y94 Q98 I101	I75-F78 PolarHBondContact O-N 3.41Å; I75-A79 WeakPolarHBondContact O-CB 3.39Å; I75-A79 PolarHBondContact O-N 3.39Å; I75-Y94 HydrophobicContact CD1-CE2 4.23Å; I75-Y94 HydrophobicContact CG1-CE2 3.61Å; I75-Q98 HydrophobicContact CD1-CB 4.07Å; I75-Q98 HydrophobicContact CD1-CG 3.32Å; I75-Q98 HydrophobicContact CG1-CG 3.81Å; I75-I101 HydrophobicContact CB-CD1 4.08Å; I75-I101 HydrophobicContact CD1-CD1 3.48Å; I75-I101 VanDerWaalsContact CD1-CD1 3.48Å; I75-I101 HydrophobicContact CD1-CG1 4.44Å; I75-I101 HydrophobicContact CG1-CD1 4.41Å
76	N	64.1	Low	44.4	Very low	118 Å²	118	81 Å²	81	63%	0.631	42%	0.417	S	S	*	.	H	α-helix	trans	-70.4	-38.8	-176.7	-67.4	-22.7	0	0	0	111.8	N74 K80	N74-N76 PolarHBondContact O-N 2.85Å; N74-N76 PolarHBondContact OD1-N 2.83Å; N76-K80 PolarHBondContact O-N 2.66Å; N76-K80 VanDerWaalsContact O-N 3.11Å
77	E	55.2	Low	44.6	Very low	100 Å²	100	81.1 Å²	81.1	47%	0.467	41%	0.411	S	S	.	.	H	α-helix	trans	-70.3	-39.9	177.5	-69.7	-178.7	-175.1	0	0	111.2	L71 N74 K80 F81	L71-E77 HydrophobicContact CD2-CB 3.39Å; L71-E77 HydrophobicContact CD2-CG 4.38Å; L71-E77 WeakPolarHBondContact CD2-OE2 3.45Å; N74-E77 HydrophobicContact CB-CG 4.49Å; N74-E77 PolarHBondContact ND2-OE1 3.08Å; N74-E77 PolarHBondContact O-N 3.22Å; E77-K80 PolarHBondContact O-N 3.28Å; E77-F81 PolarHBondContact O-N 2.73Å
78	F	48.8	Very low	45.3	Very low	14 Å²	14	85.6 Å²	85.6	6%	0.061	42%	0.424	C	S	.	.	H	α-helix	trans	-63.9	-41	175.6	-170.5	-121.5	0	0	0	111.9	Y72 N74 I75 K80 F81 I82 Y94 Y97	Y72-F78 HydrophobicContact CD1-CD2 4.37Å; Y72-F78 HydrophobicContact CD1-CE2 4.34Å; Y72-F78 HydrophobicContact CE1-CD2 4.17Å; Y72-F78 HydrophobicContact CE1-CE1 4.49Å; Y72-F78 AromaticContact CE1-CE2 3.74Å; Y72-F78 HydrophobicContact CE1-CE2 3.74Å; Y72-F78 AromaticContact CE1-CZ 3.93Å; Y72-F78 HydrophobicContact CE1-CZ 3.93Å; N74-F78 PolarHBondContact O-N 3.32Å; I75-F78 PolarHBondContact O-N 3.41Å; F78-K80 PolarHBondContact O-N 3.08Å; F78-F81 PolarHBondContact O-N 3.11Å; F78-I82 HydrophobicContact CD1-CD1 3.79Å; F78-I82 HydrophobicContact CE1-CD1 3.47Å; F78-I82 VanDerWaalsContact CE1-CD1 3.47Å; F78-I82 HydrophobicContact CE1-CG1 4.47Å; F78-I82 HydrophobicContact CE2-CD1 4.27Å; F78-I82 HydrophobicContact CE2-CG1 4.46Å; F78-I82 HydrophobicContact CG-CD1 4.3Å; F78-I82 HydrophobicContact CZ-CD1 3.72Å; F78-I82 HydrophobicContact CZ-CG1 4.32Å; F78-I82 VanDerWaalsContact O-CG1 3.29Å; F78-I82 WeakPolarHBondContact O-CG1 3.47Å; F78-I82 PolarHBondContact O-N 3.42Å; F78-I82 VanDerWaalsContact O-N 3.08Å; F78-Y94 AromaticContact CD1-CD2 3.74Å; F78-Y94 HydrophobicContact CD1-CD2 3.74Å; F78-Y94 HydrophobicContact CD1-CE2 4.45Å; F78-Y94 HydrophobicContact CE1-CD2 4.25Å; F78-Y97 AromaticContact CE1-CD2 3.89Å; F78-Y97 HydrophobicContact CE1-CD2 3.89Å; F78-Y97 HydrophobicContact CE1-CE2 4.44Å; F78-Y97 HydrophobicContact CZ-CD2 4.36Å; F78-Y97 HydrophobicContact CZ-CE2 4.47Å
79	A	55.5	Low	46	Very low	17 Å²	17	85.7 Å²	85.7	14%	0.14	43%	0.426	C	S	.	.	H	α-helix	trans	-58.7	-47	173.9	0	0	0	0	0	112	I75 F81 I82 N83 Y94	I75-A79 WeakPolarHBondContact O-CB 3.39Å; I75-A79 PolarHBondContact O-N 3.39Å; A79-F81 PolarHBondContact O-N 2.54Å; A79-I82 PolarHBondContact O-N 2.79Å; A79-N83 PolarHBondContact O-N 3.49Å; A79-N83 PolarHBondContact O-ND2 3.46Å; A79-Y94 HydrophobicContact CB-CD2 4.33Å; A79-Y94 HydrophobicContact CB-CE2 3.48Å; A79-Y94 VanDerWaalsContact CB-CE2 3.48Å
80	K	59.5	Low	46.7	Very low	153 Å²	153	82.1 Å²	82.1	67%	0.665	41%	0.408	S	S	*	.	H	α-helix	trans	-60	-46.9	179.4	-168.6	177.7	-178.4	-179.1	0	110.8	N76 E77 F78 I82 N83 T84	N76-K80 PolarHBondContact O-N 2.66Å; N76-K80 VanDerWaalsContact O-N 3.11Å; E77-K80 PolarHBondContact O-N 3.28Å; F78-K80 PolarHBondContact O-N 3.08Å; K80-I82 VanDerWaalsContact C-N 3.34Å; K80-I82 PolarHBondContact O-N 2.91Å; K80-N83 PolarHBondContact O-N 3.19Å; K80-T84 WeakPolarHBondContact O-CB 3.42Å; K80-T84 PolarHBondContact O-N 3.23Å; K80-T84 PolarHBondContact O-OG1 3.29Å
81	F	48.2	Very low	47.7	Very low	107 Å²	107	81.1 Å²	81.1	47%	0.469	41%	0.407	S	S	.	.	H	α-helix	trans	-58	-42.9	177.1	176.8	-95.8	0	0	0	112.9	E77 F78 A79 N85	E77-F81 PolarHBondContact O-N 2.73Å; F78-F81 PolarHBondContact O-N 3.11Å; A79-F81 PolarHBondContact O-N 2.54Å; F81-N85 WeakPolarHBondContact CD2-ND2 3.48Å; F81-N85 WeakPolarHBondContact CE2-ND2 3.33Å; F81-N85 PolarHBondContact O-N 2.71Å; F81-N85 PolarHBondContact O-ND2 3.37Å
82	I	44.7	Very low	48.7	Very low	4 Å²	4	80.7 Å²	80.7	2%	0.021	40%	0.403	C	S	.	.	H	α-helix	trans	-64.4	-47.4	178.6	-67.7	168.9	0	0	0	111.1	F78 A79 K80 T84 N85 H86 N90 Y94	F78-I82 HydrophobicContact CD1-CD1 3.79Å; F78-I82 HydrophobicContact CE1-CD1 3.47Å; F78-I82 VanDerWaalsContact CE1-CD1 3.47Å; F78-I82 HydrophobicContact CE1-CG1 4.47Å; F78-I82 HydrophobicContact CE2-CD1 4.27Å; F78-I82 HydrophobicContact CE2-CG1 4.46Å; F78-I82 HydrophobicContact CG-CD1 4.3Å; F78-I82 HydrophobicContact CZ-CD1 3.72Å; F78-I82 HydrophobicContact CZ-CG1 4.32Å; F78-I82 VanDerWaalsContact O-CG1 3.29Å; F78-I82 WeakPolarHBondContact O-CG1 3.47Å; F78-I82 PolarHBondContact O-N 3.42Å; F78-I82 VanDerWaalsContact O-N 3.08Å; A79-I82 PolarHBondContact O-N 2.79Å; K80-I82 VanDerWaalsContact C-N 3.34Å; K80-I82 PolarHBondContact O-N 2.91Å; I82-T84 VanDerWaalsContact C-N 3.35Å; I82-T84 PolarHBondContact O-N 3.1Å; I82-N85 PolarHBondContact O-N 2.93Å; I82-H86 PolarHBondContact O-N 2.87Å; I82-N90 HydrophobicContact CB-CB 4.11Å; I82-N90 HydrophobicContact CD1-CB 3.65Å; I82-N90 HydrophobicContact CG1-CB 3.57Å; I82-N90 HydrophobicContact CG2-CB 3.48Å; I82-N90 VanDerWaalsContact CG2-CB 3.48Å; I82-Y94 HydrophobicContact CD1-CD2 4.01Å; I82-Y94 HydrophobicContact CD1-CG 4.23Å
83	N	52.5	Low	49.7	Very low	105 Å²	105	78.5 Å²	78.5	56%	0.561	39%	0.394	S	S	*	.	H	α-helix	trans	-63	-42.4	-178.7	-72.2	-17.6	0	0	0	111.4	A79 K80 N85 H86	A79-N83 PolarHBondContact O-N 3.49Å; A79-N83 PolarHBondContact O-ND2 3.46Å; K80-N83 PolarHBondContact O-N 3.19Å; N83-N85 VanDerWaalsContact C-N 3.29Å; N83-N85 PolarHBondContact O-N 2.92Å; N83-H86 PolarHBondContact O-N 3.03Å
84	T	54.1	Low	50.6	Low	93 Å²	93	76.6 Å²	76.6	57%	0.571	37%	0.37	S	S	*	.	H	α-helix	trans	-64	-32.5	179.1	-57.1	0	0	0	0	112.8	K80 I82	K80-T84 WeakPolarHBondContact O-CB 3.42Å; K80-T84 PolarHBondContact O-N 3.23Å; K80-T84 PolarHBondContact O-OG1 3.29Å; I82-T84 VanDerWaalsContact C-N 3.35Å; I82-T84 PolarHBondContact O-N 3.1Å
85	N	40.7	Very low	51.2	Low	76 Å²	76	79.3 Å²	79.3	41%	0.406	38%	0.38	S	S	.	.	H	α-helix	trans	-99.9	3.5	-175.4	-65.7	-62.1	0	0	0	114.3	F81 I82 N83 I87	F81-N85 WeakPolarHBondContact CD2-ND2 3.48Å; F81-N85 WeakPolarHBondContact CE2-ND2 3.33Å; F81-N85 PolarHBondContact O-N 2.71Å; F81-N85 PolarHBondContact O-ND2 3.37Å; I82-N85 PolarHBondContact O-N 2.93Å; N83-N85 VanDerWaalsContact C-N 3.29Å; N83-N85 PolarHBondContact O-N 2.92Å; N85-I87 VanDerWaalsContact C-N 3.26Å; N85-I87 HydrophobicContact CB-CD1 3.86Å; N85-I87 HydrophobicContact CB-CG1 3.91Å; N85-I87 WeakPolarHBondContact O-CG1 3.27Å; N85-I87 PolarHBondContact O-N 3.33Å; N85-I87 VanDerWaalsContact O-N 3.15Å
86	H	41.7	Very low	51.7	Low	166 Å²	166	77.8 Å²	77.8	77%	0.769	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.1	31.4	176.4	-59.2	-68.3	0	0	0	116	I82 N83 R88	I82-H86 PolarHBondContact O-N 2.87Å; N83-H86 PolarHBondContact O-N 3.03Å; H86-R88 PolarHBondContact O-N 3.45Å
87	I	37.2	Very low	51.6	Low	69 Å²	69	74.5 Å²	74.5	35%	0.354	35%	0.35	S	S	.	.			trans	-87.5	100	-174.1	-53.4	174.8	0	0	0	110.3	N85 T89 N90	N85-I87 VanDerWaalsContact C-N 3.26Å; N85-I87 HydrophobicContact CB-CD1 3.86Å; N85-I87 HydrophobicContact CB-CG1 3.91Å; N85-I87 WeakPolarHBondContact O-CG1 3.27Å; N85-I87 PolarHBondContact O-N 3.33Å; N85-I87 VanDerWaalsContact O-N 3.15Å; I87-T89 PolarHBondContact O-N 3.44Å; I87-N90 HydrophobicContact CB-CB 4.26Å; I87-N90 WeakPolarHBondContact CB-ND2 3.47Å; I87-N90 HydrophobicContact CG2-CB 4.25Å; I87-N90 WeakPolarHBondContact CG2-ND2 3.43Å; I87-N90 VanDerWaalsContact O-CB 3.32Å; I87-N90 WeakPolarHBondContact O-CB 3.29Å; I87-N90 PolarHBondContact O-N 3.38Å
88	R	44.1	Very low	52.2	Low	233 Å²	233	72.6 Å²	72.6	88%	0.879	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-39.4	-174.8	-79.2	-177.2	174.3	-178.9	-1.3	115	H86 N90 N91	H86-R88 PolarHBondContact O-N 3.45Å; R88-N90 PolarHBondContact O-N 2.76Å; R88-N91 PolarHBondContact O-N 2.86Å
89	T	44.9	Very low	53	Low	35 Å²	35	74.2 Å²	74.2	22%	0.215	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-27.8	179.2	-14.9	0	0	0	0	112.1	P55 I87 N91 F92 Y93 H172	P55-T89 HydrophobicContact CB-CG2 4.2Å; P55-T89 HydrophobicContact CG-CG2 4.08Å; I87-T89 PolarHBondContact O-N 3.44Å; T89-N91 VanDerWaalsContact C-N 3.31Å; T89-N91 PolarHBondContact O-N 3.27Å; T89-F92 PolarHBondContact O-N 3.25Å; T89-Y93 HydrophobicContact CG2-CE2 4.21Å; T89-Y93 WeakPolarHBondContact O-CD2 3.42Å; T89-Y93 PolarHBondContact O-N 3.04Å; T89-H172 WeakPolarHBondContact CG2-NE2 3.47Å
90	N	45.4	Very low	53.5	Low	29 Å²	29	74.6 Å²	74.6	16%	0.155	35%	0.352	C	S	.	.	H	α-helix	trans	-72.7	-20.8	-173.5	-73.1	-7.7	0	0	0	113.5	I82 I87 R88 F92 Y93 Y94	I82-N90 HydrophobicContact CB-CB 4.11Å; I82-N90 HydrophobicContact CD1-CB 3.65Å; I82-N90 HydrophobicContact CG1-CB 3.57Å; I82-N90 HydrophobicContact CG2-CB 3.48Å; I82-N90 VanDerWaalsContact CG2-CB 3.48Å; I87-N90 HydrophobicContact CB-CB 4.26Å; I87-N90 WeakPolarHBondContact CB-ND2 3.47Å; I87-N90 HydrophobicContact CG2-CB 4.25Å; I87-N90 WeakPolarHBondContact CG2-ND2 3.43Å; I87-N90 VanDerWaalsContact O-CB 3.32Å; I87-N90 WeakPolarHBondContact O-CB 3.29Å; I87-N90 PolarHBondContact O-N 3.38Å; R88-N90 PolarHBondContact O-N 2.76Å; N90-F92 PolarHBondContact O-N 3.49Å; N90-Y93 PolarHBondContact O-N 2.96Å; N90-Y94 WeakPolarHBondContact O-CB 3.35Å; N90-Y94 PolarHBondContact O-N 3.44Å
91	N	53.3	Low	53.8	Low	92 Å²	92	69.2 Å²	69.2	49%	0.492	33%	0.331	S	S	.	.	H	α-helix	trans	-60.4	-35	172.8	-82.9	-12.8	0	0	0	111.7	R88 T89 K95	R88-N91 PolarHBondContact O-N 2.86Å; T89-N91 VanDerWaalsContact C-N 3.31Å; T89-N91 PolarHBondContact O-N 3.27Å; N91-K95 WeakPolarHBondContact O-CG 3.49Å; N91-K95 PolarHBondContact O-N 2.79Å
92	F	54.2	Low	54.7	Low	37 Å²	37	70.6 Å²	70.6	16%	0.162	34%	0.336	C	S	.	.	H	α-helix	trans	-74.7	-46.3	177.4	-165.7	-94.2	0	0	0	111.9	T89 N90 Y94 K95 F96 F132 Y135 Y136 A139	T89-F92 PolarHBondContact O-N 3.25Å; N90-F92 PolarHBondContact O-N 3.49Å; F92-Y94 VanDerWaalsContact C-N 3.26Å; F92-Y94 PolarHBondContact O-N 3.32Å; F92-K95 PolarHBondContact O-N 3.16Å; F92-F96 PolarHBondContact O-N 3.32Å; F92-F132 HydrophobicContact CD1-CD2 4.41Å; F92-F132 AromaticContact CD1-CE2 3.52Å; F92-F132 HydrophobicContact CD1-CE2 3.52Å; F92-F132 AromaticContact CD1-CZ 3.76Å; F92-F132 HydrophobicContact CD1-CZ 3.76Å; F92-F132 HydrophobicContact CE1-CD2 4.38Å; F92-F132 AromaticContact CE1-CE2 3.88Å; F92-F132 HydrophobicContact CE1-CE2 3.88Å; F92-F132 HydrophobicContact CE1-CZ 4.23Å; F92-Y135 HydrophobicContact CD1-CD1 4.41Å; F92-Y135 AromaticContact CE1-CD1 3.31Å; F92-Y135 HydrophobicContact CE1-CD1 3.31Å; F92-Y135 AromaticContact CE1-CE1 3.7Å; F92-Y135 HydrophobicContact CE1-CE1 3.7Å; F92-Y135 HydrophobicContact CE1-CG 4.41Å; F92-Y135 HydrophobicContact CE2-CD1 4.01Å; F92-Y135 AromaticContact CE2-CE1 3.67Å; F92-Y135 HydrophobicContact CE2-CE1 3.67Å; F92-Y135 AromaticContact CZ-CD1 3.02Å; F92-Y135 HydrophobicContact CZ-CD1 3.02Å; F92-Y135 AromaticContact CZ-CE1 3.16Å; F92-Y135 HydrophobicContact CZ-CE1 3.16Å; F92-Y135 HydrophobicContact CZ-CG 4.02Å; F92-Y136 AromaticContact CD1-CD2 3.63Å; F92-Y136 HydrophobicContact CD1-CD2 3.63Å; F92-Y136 HydrophobicContact CD1-CG 4.37Å; F92-Y136 HydrophobicContact CD2-CD2 4.28Å; F92-Y136 VanDerWaalsContact CE1-CB 3.44Å; F92-Y136 AromaticContact CE1-CD2 3.63Å; F92-Y136 HydrophobicContact CE1-CD2 3.63Å; F92-Y136 HydrophobicContact CE1-CG 4.01Å; F92-Y136 HydrophobicContact CE2-CD2 4.3Å; F92-Y136 AromaticContact CG-CD2 3.98Å; F92-Y136 HydrophobicContact CG-CD2 3.98Å; F92-Y136 HydrophobicContact CZ-CD2 4Å; F92-Y136 HydrophobicContact CZ-CG 4.41Å; F92-A139 HydrophobicContact CE2-CB 3.4Å; F92-A139 HydrophobicContact CZ-CB 3.76Å
93	Y	56.1	Low	55.8	Low	21 Å²	21	72.3 Å²	72.3	8%	0.082	35%	0.345	C	S	.	.	H	α-helix	trans	-54.7	-44.8	171.3	-78.1	-80.7	0	0	0	111.4	I57 T89 N90 K95 F96 Y97 F132	I57-Y93 HydrophobicContact CD1-CE1 3.7Å; I57-Y93 WeakPolarHBondContact CD1-OH 3.45Å; I57-Y93 HydrophobicContact CG1-CE1 4.44Å; T89-Y93 HydrophobicContact CG2-CE2 4.21Å; T89-Y93 WeakPolarHBondContact O-CD2 3.42Å; T89-Y93 PolarHBondContact O-N 3.04Å; N90-Y93 PolarHBondContact O-N 2.96Å; Y93-K95 PolarHBondContact O-N 3.45Å; Y93-F96 WeakPolarHBondContact O-CB 3.36Å; Y93-F96 PolarHBondContact O-N 3.26Å; Y93-Y97 HydrophobicContact CD1-CE2 4.28Å; Y93-Y97 WeakPolarHBondContact O-CD2 3.1Å; Y93-Y97 PolarHBondContact O-N 3.06Å; Y93-F132 AromaticContact CD1-CD2 3.83Å; Y93-F132 HydrophobicContact CD1-CD2 3.83Å; Y93-F132 AromaticContact CD1-CE2 3.36Å; Y93-F132 HydrophobicContact CD1-CE2 3.36Å; Y93-F132 AromaticContact CD1-CZ 3.91Å; Y93-F132 HydrophobicContact CD1-CZ 3.91Å; Y93-F132 HydrophobicContact CD2-CE2 4.11Å; Y93-F132 HydrophobicContact CD2-CZ 4.1Å; Y93-F132 HydrophobicContact CE1-CD1 4.32Å; Y93-F132 AromaticContact CE1-CD2 3.77Å; Y93-F132 HydrophobicContact CE1-CD2 3.77Å; Y93-F132 AromaticContact CE1-CE1 3.97Å; Y93-F132 HydrophobicContact CE1-CE1 3.97Å; Y93-F132 AromaticContact CE1-CE2 3.35Å; Y93-F132 HydrophobicContact CE1-CE2 3.35Å; Y93-F132 HydrophobicContact CE1-CG 4.23Å; Y93-F132 AromaticContact CE1-CZ 3.47Å; Y93-F132 HydrophobicContact CE1-CZ 3.47Å; Y93-F132 VanDerWaalsContact CE1-CZ 3.47Å; Y93-F132 HydrophobicContact CE2-CE1 4.46Å; Y93-F132 HydrophobicContact CE2-CE2 4.09Å; Y93-F132 AromaticContact CE2-CZ 3.67Å; Y93-F132 HydrophobicContact CE2-CZ 3.67Å; Y93-F132 AromaticContact CG-CE2 3.75Å; Y93-F132 HydrophobicContact CG-CE2 3.75Å; Y93-F132 HydrophobicContact CG-CZ 4.19Å; Y93-F132 AromaticContact CZ-CE1 3.79Å; Y93-F132 AromaticContact CZ-CE2 3.73Å; Y93-F132 AromaticContact CZ-CZ 3.33Å
94	Y	58.9	Low	56.6	Low	40 Å²	40	71.8 Å²	71.8	16%	0.157	34%	0.339	C	S	.	.	H	α-helix	trans	-58.3	-48.4	176.6	-177.9	-105.3	0	0	0	111.8	I75 F78 A79 I82 N90 F92 F96 Y97 Q98	I75-Y94 HydrophobicContact CD1-CE2 4.23Å; I75-Y94 HydrophobicContact CG1-CE2 3.61Å; F78-Y94 AromaticContact CD1-CD2 3.74Å; F78-Y94 HydrophobicContact CD1-CD2 3.74Å; F78-Y94 HydrophobicContact CD1-CE2 4.45Å; F78-Y94 HydrophobicContact CE1-CD2 4.25Å; A79-Y94 HydrophobicContact CB-CD2 4.33Å; A79-Y94 HydrophobicContact CB-CE2 3.48Å; A79-Y94 VanDerWaalsContact CB-CE2 3.48Å; I82-Y94 HydrophobicContact CD1-CD2 4.01Å; I82-Y94 HydrophobicContact CD1-CG 4.23Å; N90-Y94 WeakPolarHBondContact O-CB 3.35Å; N90-Y94 PolarHBondContact O-N 3.44Å; F92-Y94 VanDerWaalsContact C-N 3.26Å; F92-Y94 PolarHBondContact O-N 3.32Å; Y94-F96 PolarHBondContact O-N 2.91Å; Y94-Y97 PolarHBondContact O-N 2.78Å; Y94-Q98 HydrophobicContact CD1-CG 4.24Å; Y94-Q98 HydrophobicContact CE1-CG 3.91Å; Y94-Q98 HydrophobicContact CE2-CG 4.42Å; Y94-Q98 WeakPolarHBondContact O-CB 3.41Å; Y94-Q98 WeakPolarHBondContact O-CG 3.17Å; Y94-Q98 PolarHBondContact O-N 3.18Å; Y94-Q98 PolarHBondContact OH-NE2 3.49Å
95	K	63.1	Low	57.5	Low	119 Å²	119	73.4 Å²	73.4	52%	0.517	34%	0.338	S	S	.	.	H	α-helix	trans	-62.8	-40.5	175.7	-77.2	-178.5	177.9	-175	0	112.6	N91 F92 Y93 Q98 T99 Y135	N91-K95 WeakPolarHBondContact O-CG 3.49Å; N91-K95 PolarHBondContact O-N 2.79Å; F92-K95 PolarHBondContact O-N 3.16Å; Y93-K95 PolarHBondContact O-N 3.45Å; K95-Q98 PolarHBondContact O-N 3.03Å; K95-T99 WeakPolarHBondContact O-CB 3.08Å; K95-T99 PolarHBondContact O-N 2.99Å; K95-T99 PolarHBondContact O-OG1 3Å; K95-Y135 HydrophobicContact CB-CE1 4.4Å
96	F	63.4	Low	58.9	Low	6 Å²	6	73.5 Å²	73.5	3%	0.026	34%	0.338	C	S	.	.	H	α-helix	trans	-59.5	-51.6	174	177.1	-114.6	0	0	0	110.6	F92 Y93 Y94 Q98 T99 L100 T128 Q131 F132 Y135	F92-F96 PolarHBondContact O-N 3.32Å; Y93-F96 WeakPolarHBondContact O-CB 3.36Å; Y93-F96 PolarHBondContact O-N 3.26Å; Y94-F96 PolarHBondContact O-N 2.91Å; F96-Q98 PolarHBondContact O-N 2.98Å; F96-T99 WeakPolarHBondContact O-CA 3.25Å; F96-T99 VanDerWaalsContact O-CB 3.27Å; F96-T99 WeakPolarHBondContact O-CB 3.34Å; F96-T99 PolarHBondContact O-N 3.26Å; F96-L100 HydrophobicContact CD1-CD1 4.16Å; F96-L100 HydrophobicContact CE1-CD1 3.62Å; F96-L100 HydrophobicContact CE1-CG 4.23Å; F96-L100 HydrophobicContact CE2-CD2 4.13Å; F96-L100 HydrophobicContact CE2-CG 4.35Å; F96-L100 HydrophobicContact CZ-CD1 3.83Å; F96-L100 HydrophobicContact CZ-CD2 4.1Å; F96-L100 HydrophobicContact CZ-CG 4.14Å; F96-L100 WeakPolarHBondContact O-CG 3.42Å; F96-L100 PolarHBondContact O-N 3.49Å; F96-T128 HydrophobicContact CE1-CG2 4.13Å; F96-T128 HydrophobicContact CZ-CG2 4.5Å; F96-Q131 HydrophobicContact CE2-CB 4.16Å; F96-Q131 HydrophobicContact CZ-CB 3.95Å; F96-F132 HydrophobicContact CB-CD2 4.17Å; F96-F132 HydrophobicContact CD1-CB 4.22Å; F96-F132 AromaticContact CD1-CD2 3.79Å; F96-F132 HydrophobicContact CD1-CD2 3.79Å; F96-F132 HydrophobicContact CE1-CB 3.89Å; F96-F132 HydrophobicContact CE1-CD2 4.32Å; F96-F132 HydrophobicContact CE2-CB 4.47Å; F96-F132 AromaticContact CG-CD2 3.94Å; F96-F132 HydrophobicContact CG-CD2 3.94Å; F96-F132 HydrophobicContact CZ-CB 4.02Å; F96-Y135 HydrophobicContact CB-CD1 3.59Å; F96-Y135 HydrophobicContact CB-CE1 3.7Å; F96-Y135 HydrophobicContact CB-CG 4.47Å; F96-Y135 AromaticContact CD2-CD1 3.51Å; F96-Y135 HydrophobicContact CD2-CD1 3.51Å; F96-Y135 HydrophobicContact CD2-CD2 4.27Å; F96-Y135 HydrophobicContact CD2-CE1 4.28Å; F96-Y135 AromaticContact CD2-CG 3.55Å; F96-Y135 HydrophobicContact CD2-CG 3.55Å; F96-Y135 HydrophobicContact CE2-CG 4.29Å; F96-Y135 AromaticContact CG-CD1 3.97Å; F96-Y135 HydrophobicContact CG-CD1 3.97Å; F96-Y135 HydrophobicContact CG-CE1 4.5Å; F96-Y135 HydrophobicContact CG-CG 4.45Å
97	Y	62.5	Low	60.3	Low	48 Å²	48	67.6 Å²	67.6	19%	0.188	31%	0.31	C	S	.	.	H	α-helix	trans	-63	-40.5	177.6	-75.1	-62.4	0	0	0	113	Y72 F78 Y93 Y94 T99 L100 I101	Y72-Y97 HydrophobicContact CD1-CD2 4.45Å; Y72-Y97 HydrophobicContact CD1-CE1 4.35Å; Y72-Y97 HydrophobicContact CD1-CE2 4.26Å; Y72-Y97 HydrophobicContact CE1-CD2 4.47Å; Y72-Y97 AromaticContact CE1-CE2 3.94Å; Y72-Y97 HydrophobicContact CE1-CE2 3.94Å; F78-Y97 AromaticContact CE1-CD2 3.89Å; F78-Y97 HydrophobicContact CE1-CD2 3.89Å; F78-Y97 HydrophobicContact CE1-CE2 4.44Å; F78-Y97 HydrophobicContact CZ-CD2 4.36Å; F78-Y97 HydrophobicContact CZ-CE2 4.47Å; Y93-Y97 HydrophobicContact CD1-CE2 4.28Å; Y93-Y97 WeakPolarHBondContact O-CD2 3.1Å; Y93-Y97 PolarHBondContact O-N 3.06Å; Y94-Y97 PolarHBondContact O-N 2.78Å; Y97-T99 PolarHBondContact O-N 3.25Å; Y97-L100 HydrophobicContact CD1-CD1 4.13Å; Y97-L100 HydrophobicContact CE1-CD1 4.47Å; Y97-L100 WeakPolarHBondContact O-CB 3.44Å; Y97-L100 PolarHBondContact O-N 3.44Å; Y97-L100 VanDerWaalsContact O-N 3.1Å; Y97-I101 WeakPolarHBondContact O-CG1 3.35Å; Y97-I101 PolarHBondContact O-N 2.84Å
98	Q	66.5	Low	62.1	Low	61 Å²	61	70.6 Å²	70.6	29%	0.285	33%	0.327	S	S	.	.	H	α-helix	trans	-56	-41.2	171.2	-80.4	-170	-27.8	0	0	111.6	I75 Y94 K95 F96 K102	I75-Q98 HydrophobicContact CD1-CB 4.07Å; I75-Q98 HydrophobicContact CD1-CG 3.32Å; I75-Q98 HydrophobicContact CG1-CG 3.81Å; Y94-Q98 HydrophobicContact CD1-CG 4.24Å; Y94-Q98 HydrophobicContact CE1-CG 3.91Å; Y94-Q98 HydrophobicContact CE2-CG 4.42Å; Y94-Q98 WeakPolarHBondContact O-CB 3.41Å; Y94-Q98 WeakPolarHBondContact O-CG 3.17Å; Y94-Q98 PolarHBondContact O-N 3.18Å; Y94-Q98 PolarHBondContact OH-NE2 3.49Å; K95-Q98 PolarHBondContact O-N 3.03Å; F96-Q98 PolarHBondContact O-N 2.98Å; Q98-K102 WeakPolarHBondContact O-CB 3.42Å; Q98-K102 VanDerWaalsContact O-CG 3.3Å; Q98-K102 WeakPolarHBondContact O-CG 3.43Å; Q98-K102 PolarHBondContact O-N 3.34Å
99	T	66.4	Low	63.6	Low	48 Å²	48	67.1 Å²	67.1	29%	0.294	32%	0.32	S	S	.	.	H	α-helix	trans	-65.2	-42.4	176.7	-54	0	0	0	0	110.6	K95 F96 Y97 K102 L103 Y135	K95-T99 WeakPolarHBondContact O-CB 3.08Å; K95-T99 PolarHBondContact O-N 2.99Å; K95-T99 PolarHBondContact O-OG1 3Å; F96-T99 WeakPolarHBondContact O-CA 3.25Å; F96-T99 VanDerWaalsContact O-CB 3.27Å; F96-T99 WeakPolarHBondContact O-CB 3.34Å; F96-T99 PolarHBondContact O-N 3.26Å; Y97-T99 PolarHBondContact O-N 3.25Å; T99-K102 PolarHBondContact O-N 2.94Å; T99-L103 HydrophobicContact CG2-CD1 4.25Å; T99-L103 WeakPolarHBondContact O-CB 3.31Å; T99-L103 WeakPolarHBondContact O-CG 3.37Å; T99-L103 PolarHBondContact O-N 3.1Å; T99-Y135 HydrophobicContact CG2-CE2 4.31Å; T99-Y135 PolarHBondContact OG1-OH 3.28Å
100	L	65.5	Low	65.1	Low	24 Å²	24	66.8 Å²	66.8	13%	0.126	32%	0.318	C	S	.	.	H	α-helix	trans	-62.7	-45.2	175.6	-63.4	-171.3	0	0	0	113	F96 Y97 K102 L103 H104 P123	F96-L100 HydrophobicContact CD1-CD1 4.16Å; F96-L100 HydrophobicContact CE1-CD1 3.62Å; F96-L100 HydrophobicContact CE1-CG 4.23Å; F96-L100 HydrophobicContact CE2-CD2 4.13Å; F96-L100 HydrophobicContact CE2-CG 4.35Å; F96-L100 HydrophobicContact CZ-CD1 3.83Å; F96-L100 HydrophobicContact CZ-CD2 4.1Å; F96-L100 HydrophobicContact CZ-CG 4.14Å; F96-L100 WeakPolarHBondContact O-CG 3.42Å; F96-L100 PolarHBondContact O-N 3.49Å; Y97-L100 HydrophobicContact CD1-CD1 4.13Å; Y97-L100 HydrophobicContact CE1-CD1 4.47Å; Y97-L100 WeakPolarHBondContact O-CB 3.44Å; Y97-L100 PolarHBondContact O-N 3.44Å; Y97-L100 VanDerWaalsContact O-N 3.1Å; L100-K102 VanDerWaalsContact C-N 3.32Å; L100-K102 PolarHBondContact O-N 3.01Å; L100-L103 HydrophobicContact CD2-CD1 4.45Å; L100-L103 PolarHBondContact O-N 3.24Å; L100-H104 WeakPolarHBondContact O-CB 3.14Å; L100-H104 PolarHBondContact O-N 3.39Å; L100-P123 HydrophobicContact CD1-CG 3.57Å; L100-P123 HydrophobicContact CD2-CG 3.49Å; L100-P123 VanDerWaalsContact CD2-CG 3.49Å; L100-P123 HydrophobicContact CG-CG 4.15Å
101	I	65.3	Low	66.3	Low	41 Å²	41	73 Å²	73	21%	0.21	35%	0.346	C	S	.	.	H	α-helix	trans	-62.4	-42.6	177.1	-66.1	-178	0	0	0	110.5	Y72 I75 Y97 H104 K105	Y72-I101 WeakPolarHBondContact O-CD1 3.21Å; I75-I101 HydrophobicContact CB-CD1 4.08Å; I75-I101 HydrophobicContact CD1-CD1 3.48Å; I75-I101 VanDerWaalsContact CD1-CD1 3.48Å; I75-I101 HydrophobicContact CD1-CG1 4.44Å; I75-I101 HydrophobicContact CG1-CD1 4.41Å; Y97-I101 WeakPolarHBondContact O-CG1 3.35Å; Y97-I101 PolarHBondContact O-N 2.84Å; I101-H104 PolarHBondContact O-N 2.81Å; I101-K105 HydrophobicContact CG2-CD 4.26Å; I101-K105 HydrophobicContact CG2-CG 4.42Å; I101-K105 WeakPolarHBondContact O-CG 3.2Å; I101-K105 PolarHBondContact O-N 3.39Å
102	K	68.8	Low	67.4	Low	136 Å²	136	75.2 Å²	75.2	59%	0.591	35%	0.354	S	S	*	.	H	α-helix	trans	-61.2	-45.2	175.9	-75.4	176.4	-177.9	-178.3	0	111.4	Q98 T99 L100 H104 K105 L106	Q98-K102 WeakPolarHBondContact O-CB 3.42Å; Q98-K102 VanDerWaalsContact O-CG 3.3Å; Q98-K102 WeakPolarHBondContact O-CG 3.43Å; Q98-K102 PolarHBondContact O-N 3.34Å; T99-K102 PolarHBondContact O-N 2.94Å; L100-K102 VanDerWaalsContact C-N 3.32Å; L100-K102 PolarHBondContact O-N 3.01Å; K102-H104 VanDerWaalsContact C-N 3.3Å; K102-H104 PolarHBondContact O-N 3.36Å; K102-K105 PolarHBondContact O-N 2.84Å; K102-L106 WeakPolarHBondContact O-CB 2.95Å; K102-L106 VanDerWaalsContact O-CG 3.3Å; K102-L106 WeakPolarHBondContact O-CG 3.15Å; K102-L106 PolarHBondContact O-N 3.2Å
103	L	67.4	Low	68	Low	39 Å²	39	80.8 Å²	80.8	20%	0.204	38%	0.383	C	S	.	.	H	α-helix	trans	-60.2	-40.6	174.9	-76.8	167	0	0	0	111.8	T99 L100 L106 K107 Y118 I122	T99-L103 HydrophobicContact CG2-CD1 4.25Å; T99-L103 WeakPolarHBondContact O-CB 3.31Å; T99-L103 WeakPolarHBondContact O-CG 3.37Å; T99-L103 PolarHBondContact O-N 3.1Å; L100-L103 HydrophobicContact CD2-CD1 4.45Å; L100-L103 PolarHBondContact O-N 3.24Å; L103-L106 PolarHBondContact O-N 3.22Å; L103-K107 PolarHBondContact O-N 3.15Å; L103-Y118 HydrophobicContact CD2-CD1 4.42Å; L103-Y118 HydrophobicContact CD2-CE1 4.41Å; L103-I122 HydrophobicContact CB-CG1 4.12Å
104	H	68.9	Low	68.6	Low	94 Å²	94	83.7 Å²	83.7	44%	0.435	40%	0.4	S	S	.	.	H	α-helix	trans	-69.4	-41.2	179.1	-155.2	27.2	0	0	0	112.4	L100 I101 K102 L106 K107 L108 I122	L100-H104 WeakPolarHBondContact O-CB 3.14Å; L100-H104 PolarHBondContact O-N 3.39Å; I101-H104 PolarHBondContact O-N 2.81Å; K102-H104 VanDerWaalsContact C-N 3.3Å; K102-H104 PolarHBondContact O-N 3.36Å; H104-L106 VanDerWaalsContact C-N 3.35Å; H104-K107 WeakPolarHBondContact O-CB 2.89Å; H104-K107 PolarHBondContact O-N 2.87Å; H104-L108 WeakPolarHBondContact O-CG 3.25Å; H104-L108 PolarHBondContact O-N 3.36Å; H104-L108 VanDerWaalsContact O-N 3.07Å; H104-I122 HydrophobicContact CB-CD1 4.31Å
105	K	72.4	Confident	69	Low	128 Å²	128	84.8 Å²	84.8	56%	0.557	41%	0.406	S	S	*	.	H	α-helix	trans	-61	-43.3	172	-74.6	-177.6	178.8	-173.6	0	111.8	I101 K102 L108 Q109	I101-K105 HydrophobicContact CG2-CD 4.26Å; I101-K105 HydrophobicContact CG2-CG 4.42Å; I101-K105 WeakPolarHBondContact O-CG 3.2Å; I101-K105 PolarHBondContact O-N 3.39Å; K102-K105 PolarHBondContact O-N 2.84Å; K105-L108 PolarHBondContact O-N 3.49Å; K105-Q109 WeakPolarHBondContact O-CG 3.29Å; K105-Q109 PolarHBondContact O-N 2.94Å; K105-Q109 VanDerWaalsContact O-N 3.16Å
106	L	70.1	Confident	69.1	Low	78 Å²	78	82.4 Å²	82.4	41%	0.408	40%	0.403	S	S	.	.	H	α-helix	trans	-59.2	-50.3	174.5	-74.5	168.3	0	0	0	110.1	K102 L103 H104 L108 Q109 T110 Y118	K102-L106 WeakPolarHBondContact O-CB 2.95Å; K102-L106 VanDerWaalsContact O-CG 3.3Å; K102-L106 WeakPolarHBondContact O-CG 3.15Å; K102-L106 PolarHBondContact O-N 3.2Å; L103-L106 PolarHBondContact O-N 3.22Å; H104-L106 VanDerWaalsContact C-N 3.35Å; L106-L108 PolarHBondContact O-N 2.97Å; L106-Q109 CarbonylContact O-C 3.6Å; L106-Q109 WeakPolarHBondContact O-CA 3.13Å; L106-Q109 PolarHBondContact O-N 3.35Å; L106-T110 PolarHBondContact O-N 3.46Å; L106-T110 PolarHBondContact O-OG1 3.48Å; L106-Y118 HydrophobicContact CB-CD1 4.4Å; L106-Y118 HydrophobicContact CB-CE1 3.63Å; L106-Y118 HydrophobicContact CD1-CE1 4.43Å
107	K	72	Confident	69	Low	41 Å²	41	87.3 Å²	87.3	18%	0.178	42%	0.424	C	S	.	.	H	α-helix	trans	-51.2	-42.5	175.8	-179.6	-178.8	170.4	-165.2	0	113.1	L103 H104 Q109 T110 K115 Y118 D119 I122	L103-K107 PolarHBondContact O-N 3.15Å; H104-K107 WeakPolarHBondContact O-CB 2.89Å; H104-K107 PolarHBondContact O-N 2.87Å; K107-Q109 VanDerWaalsContact C-N 3.28Å; K107-Q109 PolarHBondContact O-N 3.11Å; K107-T110 PolarHBondContact O-N 2.95Å; K107-K115 HydrophobicContact CG-CG 4.44Å; K107-Y118 HydrophobicContact CB-CD1 4.21Å; K107-Y118 HydrophobicContact CB-CG 3.94Å; K107-Y118 HydrophobicContact CG-CG 4.41Å; K107-D119 VanDerWaalsContact CE-OD1 3.29Å; K107-D119 WeakPolarHBondContact CE-OD1 3.13Å; K107-D119 VanDerWaalsContact NZ-CG 3.3Å; K107-D119 IonicContact NZ-OD1 3.39Å; K107-D119 PolarHBondContact NZ-OD1 2.92Å; K107-D119 IonicContact NZ-OD2 4Å; K107-D119 PolarHBondContact NZ-OD2 3.34Å; K107-I122 HydrophobicContact CB-CD1 3.77Å; K107-I122 HydrophobicContact CD-CD1 3.57Å; K107-I122 HydrophobicContact CG-CD1 4.24Å
108	L	74	Confident	68.9	Low	133 Å²	133	87 Å²	87	70%	0.696	42%	0.423	S	S	*	.	H	α-helix	trans	-66.8	-29.9	178.7	-68.5	172.4	0	0	0	112.7	H104 K105 L106	H104-L108 WeakPolarHBondContact O-CG 3.25Å; H104-L108 PolarHBondContact O-N 3.36Å; H104-L108 VanDerWaalsContact O-N 3.07Å; K105-L108 PolarHBondContact O-N 3.49Å; L106-L108 PolarHBondContact O-N 2.97Å
109	Q	76.8	Confident	68.7	Low	159 Å²	159	88 Å²	88	74%	0.743	43%	0.43	S	S	*	.	H	α-helix	trans	-88.7	-20.2	179.1	-67.5	174.5	-18.4	0	0	113	K105 L106 K107	K105-Q109 WeakPolarHBondContact O-CG 3.29Å; K105-Q109 PolarHBondContact O-N 2.94Å; K105-Q109 VanDerWaalsContact O-N 3.16Å; L106-Q109 CarbonylContact O-C 3.6Å; L106-Q109 WeakPolarHBondContact O-CA 3.13Å; L106-Q109 PolarHBondContact O-N 3.35Å; K107-Q109 VanDerWaalsContact C-N 3.28Å; K107-Q109 PolarHBondContact O-N 3.11Å
110	T	76	Confident	68.2	Low	28 Å²	28	95 Å²	95	17%	0.172	45%	0.453	C	S	.	.	S	Bend	trans	-76.1	143.2	-178	-36.6	0	0	0	0	111.8	L106 K107 N114 Y118	L106-T110 PolarHBondContact O-N 3.46Å; L106-T110 PolarHBondContact O-OG1 3.48Å; K107-T110 PolarHBondContact O-N 2.95Å; T110-N114 HydrophobicContact CG2-CB 3.42Å; T110-N114 VanDerWaalsContact CG2-CB 3.42Å; T110-Y118 HydrophobicContact CG2-CD2 4.45Å; T110-Y118 HydrophobicContact CG2-CE2 3.77Å; T110-Y118 WeakPolarHBondContact OG1-CE2 3.23Å
111	H	71.7	Confident	67.6	Low	159 Å²	159	97.1 Å²	97.1	74%	0.736	46%	0.464	S	S	*	.			trans	-49.3	142.5	167.5	-89.3	-72.3	0	0	0	112.5	I113 N114 K115	H111-I113 PolarHBondContact O-N 3.5Å; H111-I113 VanDerWaalsContact O-N 3.1Å; H111-N114 PolarHBondContact O-N 3.14Å; H111-K115 PolarHBondContact O-N 2.81Å
112	E	74.5	Confident	67.4	Low	140 Å²	140	96.6 Å²	96.6	65%	0.654	46%	0.461	S	S	*	.	G	3₁₀ helix	trans	-43.8	-45.1	-179.5	-77	-101.6	125	0	0	113.6	N114 K115 P116	E112-N114 PolarHBondContact O-N 2.03Å; E112-N114 VanDerWaalsContact O-N 3.11Å; E112-K115 WeakPolarHBondContact O-CB 3.44Å; E112-K115 PolarHBondContact O-N 2.84Å; E112-K115 IonicContact OE1-NZ 2.54Å; E112-K115 PolarHBondContact OE1-NZ 2.98Å; E112-P116 WeakPolarHBondContact O-CD 3.21Å
113	I	68.6	Low	66.7	Low	153 Å²	153	91.1 Å²	91.1	79%	0.785	44%	0.439	S	S	*	.	G	3₁₀ helix	trans	-55.5	-32.9	-179.5	-69.3	169.9	0	0	0	112.5	H111	H111-I113 PolarHBondContact O-N 3.5Å; H111-I113 VanDerWaalsContact O-N 3.1Å
114	N	67	Low	65.9	Low	83 Å²	83	93.4 Å²	93.4	44%	0.444	45%	0.452	S	S	.	.	G	3₁₀ helix	trans	-95.8	-9.4	-178.3	-66.1	-30.3	0	0	0	112.7	T110 H111 E112 P116 F117 Y118	T110-N114 HydrophobicContact CG2-CB 3.42Å; T110-N114 VanDerWaalsContact CG2-CB 3.42Å; H111-N114 PolarHBondContact O-N 3.14Å; E112-N114 PolarHBondContact O-N 2.03Å; E112-N114 VanDerWaalsContact O-N 3.11Å; N114-P116 VanDerWaalsContact C-CD 3.46Å; N114-F117 VanDerWaalsContact O-CB 3.32Å; N114-F117 WeakPolarHBondContact O-CB 3.02Å; N114-F117 PolarHBondContact O-N 2.8Å; N114-F117 VanDerWaalsContact O-N 3.11Å; N114-Y118 WeakPolarHBondContact O-CD2 3.36Å; N114-Y118 PolarHBondContact O-N 3.14Å
115	K	67.3	Low	64.8	Low	63 Å²	63	98.5 Å²	98.5	27%	0.274	47%	0.467	S	S	.	.	H	α-helix	trans	-56.2	-41.5	178.4	-72.9	-178.4	-177.2	171.8	0	113.2	K107 H111 E112 F117 Y118 D119	K107-K115 HydrophobicContact CG-CG 4.44Å; H111-K115 PolarHBondContact O-N 2.81Å; E112-K115 WeakPolarHBondContact O-CB 3.44Å; E112-K115 PolarHBondContact O-N 2.84Å; E112-K115 IonicContact OE1-NZ 2.54Å; E112-K115 PolarHBondContact OE1-NZ 2.98Å; K115-F117 PolarHBondContact O-N 2.97Å; K115-Y118 PolarHBondContact O-N 3.41Å; K115-D119 PolarHBondContact O-N 3.23Å
116	P	65.9	Low	63.5	Low	69 Å²	69	96.5 Å²	96.5	45%	0.448	47%	0.469	S	S	.	.	H	α-helix	trans	-56.2	-37.4	175.8	-26.4	35	0	0	0	112.9	E112 N114 Y118 D119 Y120	E112-P116 WeakPolarHBondContact O-CD 3.21Å; N114-P116 VanDerWaalsContact C-CD 3.46Å; P116-Y118 VanDerWaalsContact C-N 3.31Å; P116-Y118 PolarHBondContact O-N 3.33Å; P116-D119 WeakPolarHBondContact O-CB 3.45Å; P116-D119 PolarHBondContact O-N 3.49Å; P116-D119 VanDerWaalsContact O-N 3.12Å; P116-Y120 WeakPolarHBondContact O-CD2 3.44Å; P116-Y120 PolarHBondContact O-N 3.3Å
117	F	60.7	Low	62.5	Low	108 Å²	108	94.8 Å²	94.8	47%	0.474	46%	0.46	S	S	.	.	H	α-helix	trans	-61.4	-41	176.5	-179.2	-96.8	0	0	0	111.8	N114 K115 Y120 L121	N114-F117 VanDerWaalsContact O-CB 3.32Å; N114-F117 WeakPolarHBondContact O-CB 3.02Å; N114-F117 PolarHBondContact O-N 2.8Å; N114-F117 VanDerWaalsContact O-N 3.11Å; K115-F117 PolarHBondContact O-N 2.97Å; F117-Y120 PolarHBondContact O-N 3.39Å; F117-L121 HydrophobicContact CD1-CD1 3.9Å; F117-L121 HydrophobicContact CE1-CD1 3.41Å; F117-L121 VanDerWaalsContact CE1-CD1 3.41Å; F117-L121 HydrophobicContact CE1-CG 4.39Å; F117-L121 HydrophobicContact CZ-CD1 3.99Å; F117-L121 PolarHBondContact O-N 2.81Å
118	Y	61.1	Low	61.7	Low	43 Å²	43	93.7 Å²	93.7	17%	0.169	46%	0.457	C	S	.	.	H	α-helix	trans	-71.5	-29.9	174.7	-73.5	-89.8	0	0	0	112.7	L103 L106 K107 T110 N114 K115 P116 Y120 L121 I122	L103-Y118 HydrophobicContact CD2-CD1 4.42Å; L103-Y118 HydrophobicContact CD2-CE1 4.41Å; L106-Y118 HydrophobicContact CB-CD1 4.4Å; L106-Y118 HydrophobicContact CB-CE1 3.63Å; L106-Y118 HydrophobicContact CD1-CE1 4.43Å; K107-Y118 HydrophobicContact CB-CD1 4.21Å; K107-Y118 HydrophobicContact CB-CG 3.94Å; K107-Y118 HydrophobicContact CG-CG 4.41Å; T110-Y118 HydrophobicContact CG2-CD2 4.45Å; T110-Y118 HydrophobicContact CG2-CE2 3.77Å; T110-Y118 WeakPolarHBondContact OG1-CE2 3.23Å; N114-Y118 WeakPolarHBondContact O-CD2 3.36Å; N114-Y118 PolarHBondContact O-N 3.14Å; K115-Y118 PolarHBondContact O-N 3.41Å; P116-Y118 VanDerWaalsContact C-N 3.31Å; P116-Y118 PolarHBondContact O-N 3.33Å; Y118-Y120 VanDerWaalsContact C-N 3.27Å; Y118-Y120 PolarHBondContact O-N 3.33Å; Y118-L121 PolarHBondContact O-N 2.98Å; Y118-L121 VanDerWaalsContact O-N 3.11Å; Y118-I122 WeakPolarHBondContact O-CB 3.49Å; Y118-I122 VanDerWaalsContact O-CG1 3.26Å; Y118-I122 WeakPolarHBondContact O-CG1 3.37Å; Y118-I122 PolarHBondContact O-N 3.25Å
119	D	61.5	Low	60.7	Low	82 Å²	82	91.1 Å²	91.1	44%	0.439	44%	0.438	S	S	.	.	H	α-helix	trans	-63.2	-32.9	175.4	-80.8	-44.7	0	0	0	113.1	K107 K115 P116	K107-D119 VanDerWaalsContact CE-OD1 3.29Å; K107-D119 WeakPolarHBondContact CE-OD1 3.13Å; K107-D119 VanDerWaalsContact NZ-CG 3.3Å; K107-D119 IonicContact NZ-OD1 3.39Å; K107-D119 PolarHBondContact NZ-OD1 2.92Å; K107-D119 IonicContact NZ-OD2 4Å; K107-D119 PolarHBondContact NZ-OD2 3.34Å; K115-D119 PolarHBondContact O-N 3.23Å; P116-D119 WeakPolarHBondContact O-CB 3.45Å; P116-D119 PolarHBondContact O-N 3.49Å; P116-D119 VanDerWaalsContact O-N 3.12Å
120	Y	56.5	Low	59.6	Low	195 Å²	195	85.2 Å²	85.2	77%	0.765	41%	0.412	S	S	*	.	H	α-helix	trans	-71.9	-31.4	171.7	-71.3	-72	0	0	0	113.1	P116 F117 Y118	P116-Y120 WeakPolarHBondContact O-CD2 3.44Å; P116-Y120 PolarHBondContact O-N 3.3Å; F117-Y120 PolarHBondContact O-N 3.39Å; Y118-Y120 VanDerWaalsContact C-N 3.27Å; Y118-Y120 PolarHBondContact O-N 3.33Å
121	L	53.8	Low	58.6	Low	68 Å²	68	85.7 Å²	85.7	36%	0.356	41%	0.412	S	S	.	.	H	α-helix	trans	-83.6	-33.6	-179	-67.1	177.4	0	0	0	113	F117 Y118 Q131	F117-L121 HydrophobicContact CD1-CD1 3.9Å; F117-L121 HydrophobicContact CE1-CD1 3.41Å; F117-L121 VanDerWaalsContact CE1-CD1 3.41Å; F117-L121 HydrophobicContact CE1-CG 4.39Å; F117-L121 HydrophobicContact CZ-CD1 3.99Å; F117-L121 PolarHBondContact O-N 2.81Å; Y118-L121 PolarHBondContact O-N 2.98Å; Y118-L121 VanDerWaalsContact O-N 3.11Å; L121-Q131 PolarHBondContact O-NE2 3.47Å; L121-Q131 PolarHBondContact O-OE1 3.34Å
122	I	59.6	Low	58.1	Low	30 Å²	30	78.7 Å²	78.7	15%	0.154	38%	0.379	C	S	.	.	S	Bend	trans	-78.8	121.5	179.9	-66.5	169.2	0	0	0	108.2	L103 H104 K107 Y118 N124	L103-I122 HydrophobicContact CB-CG1 4.12Å; H104-I122 HydrophobicContact CB-CD1 4.31Å; K107-I122 HydrophobicContact CB-CD1 3.77Å; K107-I122 HydrophobicContact CD-CD1 3.57Å; K107-I122 HydrophobicContact CG-CD1 4.24Å; Y118-I122 WeakPolarHBondContact O-CB 3.49Å; Y118-I122 VanDerWaalsContact O-CG1 3.26Å; Y118-I122 WeakPolarHBondContact O-CG1 3.37Å; Y118-I122 PolarHBondContact O-N 3.25Å; I122-N124 PolarHBondContact O-N 3.35Å
123	P	54.6	Low	57.4	Low	21 Å²	21	72.9 Å²	72.9	14%	0.136	35%	0.353	C	S	.	.			trans	-64	135.6	-176.8	18.6	-22.5	0	0	0	110.7	L100 N127 T128 Q131	L100-P123 HydrophobicContact CD1-CG 3.57Å; L100-P123 HydrophobicContact CD2-CG 3.49Å; L100-P123 VanDerWaalsContact CD2-CG 3.49Å; L100-P123 HydrophobicContact CG-CG 4.15Å; P123-N127 WeakPolarHBondContact CA-OD1 3.29Å; P123-N127 VanDerWaalsContact CB-OD1 3.25Å; P123-N127 WeakPolarHBondContact CB-OD1 3.47Å; P123-T128 HydrophobicContact CB-CG2 4.25Å; P123-T128 HydrophobicContact CG-CG2 4.37Å; P123-Q131 VanDerWaalsContact CB-CD 3.45Å; P123-Q131 HydrophobicContact CB-CG 4.25Å
124	N	50.4	Low	56.9	Low	86 Å²	86	67.2 Å²	67.2	46%	0.46	32%	0.323	S	S	.	.			trans	-83.8	175.8	161.4	65.2	24.7	0	0	0	109.4	I122 S126 N127 T128	I122-N124 PolarHBondContact O-N 3.35Å; N124-S126 VanDerWaalsContact C-N 3.26Å; N124-S126 PolarHBondContact O-N 3.08Å; N124-S126 PolarHBondContact OD1-N 3.29Å; N124-S126 PolarHBondContact OD1-OG 3.38Å; N124-N127 PolarHBondContact N-OD1 3.21Å; N124-N127 PolarHBondContact O-N 3.48Å; N124-N127 PolarHBondContact O-OD1 3.05Å; N124-N127 VanDerWaalsContact O-OD1 3.1Å; N124-N127 PolarHBondContact OD1-N 2.74Å; N124-N127 PolarHBondContact OD1-OD1 2.99Å; N124-T128 PolarHBondContact O-N 3.2Å; N124-T128 PolarHBondContact O-OG1 3.45Å
125	R	46.5	Very low	56.6	Low	202 Å²	202	66.3 Å²	66.3	76%	0.762	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-34.3	-176.2	-74.9	-176.3	178.4	172.7	0.8	112.9	K245	R125-K245 WeakPolarHBondContact O-CE 3.22Å
126	S	45.1	Very low	56.4	Low	86 Å²	86	64.2 Å²	64.2	60%	0.601	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-34.4	-177.3	39.3	0	0	0	0	112.9	N124	N124-S126 VanDerWaalsContact C-N 3.26Å; N124-S126 PolarHBondContact O-N 3.08Å; N124-S126 PolarHBondContact OD1-N 3.29Å; N124-S126 PolarHBondContact OD1-OG 3.38Å
127	N	49.6	Very low	56.2	Low	41 Å²	41	61.8 Å²	61.8	22%	0.219	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	0.9	-176	74.1	7.2	0	0	0	115.4	P123 N124 R129 I130 Q131	P123-N127 WeakPolarHBondContact CA-OD1 3.29Å; P123-N127 VanDerWaalsContact CB-OD1 3.25Å; P123-N127 WeakPolarHBondContact CB-OD1 3.47Å; N124-N127 PolarHBondContact N-OD1 3.21Å; N124-N127 PolarHBondContact O-N 3.48Å; N124-N127 PolarHBondContact O-OD1 3.05Å; N124-N127 VanDerWaalsContact O-OD1 3.1Å; N124-N127 PolarHBondContact OD1-N 2.74Å; N124-N127 PolarHBondContact OD1-OD1 2.99Å; N127-R129 VanDerWaalsContact C-N 3.3Å; N127-R129 PolarHBondContact O-N 3.5Å; N127-I130 HydrophobicContact CB-CD1 4.46Å; N127-I130 WeakPolarHBondContact O-CB 3.1Å; N127-I130 PolarHBondContact O-N 3.37Å; N127-Q131 PolarHBondContact O-N 3.3Å
128	T	55.1	Low	56.2	Low	19 Å²	19	58.5 Å²	58.5	12%	0.117	28%	0.278	C	S	.	.	H	α-helix	trans	-58.3	-41.3	-175.3	-38.6	0	0	0	0	112.9	F96 P123 N124 I130 Q131 F132 K245	F96-T128 HydrophobicContact CE1-CG2 4.13Å; F96-T128 HydrophobicContact CZ-CG2 4.5Å; P123-T128 HydrophobicContact CB-CG2 4.25Å; P123-T128 HydrophobicContact CG-CG2 4.37Å; N124-T128 PolarHBondContact O-N 3.2Å; N124-T128 PolarHBondContact O-OG1 3.45Å; T128-I130 VanDerWaalsContact C-N 3.3Å; T128-I130 PolarHBondContact O-N 3.02Å; T128-Q131 PolarHBondContact O-N 3.11Å; T128-F132 PolarHBondContact O-N 3.28Å; T128-K245 VanDerWaalsContact CB-NZ 3.31Å; T128-K245 PolarHBondContact OG1-NZ 2.76Å
129	R	52.6	Low	56.3	Low	78 Å²	78	58.8 Å²	58.8	29%	0.294	29%	0.289	S	S	.	.	H	α-helix	trans	-65.6	-39.5	-176.7	-175	170	-177.9	171.6	-0	111.1	N127 F132 I133 C232	N127-R129 VanDerWaalsContact C-N 3.3Å; N127-R129 PolarHBondContact O-N 3.5Å; R129-F132 WeakPolarHBondContact O-CB 3.11Å; R129-F132 PolarHBondContact O-N 3.48Å; R129-I133 HydrophobicContact CG-CD1 4.37Å; R129-I133 VanDerWaalsContact O-CG1 3.31Å; R129-I133 WeakPolarHBondContact O-CG1 3.39Å; R129-I133 PolarHBondContact O-N 3.48Å; R129-C232 VanDerWaalsContact CD-SG 3.54Å; R129-C232 PolarHBondContact NE-SG 2.79Å; R129-C232 VanDerWaalsContact NE-SG 3.35Å; R129-C232 PolarHBondContact NH1-SG 3.26Å
130	I	52.8	Low	56.2	Low	36 Å²	36	55.9 Å²	55.9	19%	0.185	27%	0.273	C	S	.	.	H	α-helix	trans	-63.1	-49	176	-70.6	151.8	0	0	0	110.5	F24 N127 T128 F132 I133 M134	F24-I130 HydrophobicContact CD1-CG2 3.45Å; F24-I130 VanDerWaalsContact CD1-CG2 3.45Å; F24-I130 HydrophobicContact CD2-CB 4.14Å; F24-I130 HydrophobicContact CD2-CD1 4Å; F24-I130 HydrophobicContact CD2-CG1 3.57Å; F24-I130 HydrophobicContact CD2-CG2 3.66Å; F24-I130 HydrophobicContact CE1-CB 4.27Å; F24-I130 HydrophobicContact CE1-CG2 3.02Å; F24-I130 HydrophobicContact CE2-CB 3.75Å; F24-I130 HydrophobicContact CE2-CD1 3.05Å; F24-I130 HydrophobicContact CE2-CG1 3.11Å; F24-I130 HydrophobicContact CE2-CG2 3.33Å; F24-I130 HydrophobicContact CG-CG2 3.78Å; F24-I130 HydrophobicContact CZ-CB 3.83Å; F24-I130 HydrophobicContact CZ-CD1 3.45Å; F24-I130 VanDerWaalsContact CZ-CD1 3.45Å; F24-I130 HydrophobicContact CZ-CG1 3.68Å; F24-I130 HydrophobicContact CZ-CG2 3.01Å; N127-I130 HydrophobicContact CB-CD1 4.46Å; N127-I130 WeakPolarHBondContact O-CB 3.1Å; N127-I130 PolarHBondContact O-N 3.37Å; T128-I130 VanDerWaalsContact C-N 3.3Å; T128-I130 PolarHBondContact O-N 3.02Å; I130-F132 PolarHBondContact O-N 3.29Å; I130-I133 WeakPolarHBondContact O-CB 3.22Å; I130-I133 PolarHBondContact O-N 2.99Å; I130-I133 VanDerWaalsContact O-N 3.11Å; I130-M134 WeakPolarHBondContact O-CG 3.48Å; I130-M134 PolarHBondContact O-N 3.42Å
131	Q	56	Low	56.3	Low	37 Å²	37	48.4 Å²	48.4	17%	0.173	25%	0.246	C	C	.	.	H	α-helix	trans	-63.8	-34.9	178.6	-71.6	-164.7	7.2	0	0	111.9	F96 L121 P123 N127 T128 M134 Y135	F96-Q131 HydrophobicContact CE2-CB 4.16Å; F96-Q131 HydrophobicContact CZ-CB 3.95Å; L121-Q131 PolarHBondContact O-NE2 3.47Å; L121-Q131 PolarHBondContact O-OE1 3.34Å; P123-Q131 VanDerWaalsContact CB-CD 3.45Å; P123-Q131 HydrophobicContact CB-CG 4.25Å; N127-Q131 PolarHBondContact O-N 3.3Å; T128-Q131 PolarHBondContact O-N 3.11Å; Q131-M134 PolarHBondContact O-N 3.5Å; Q131-Y135 WeakPolarHBondContact O-CB 3.19Å; Q131-Y135 PolarHBondContact O-N 2.87Å
132	F	61.3	Low	56.5	Low	13 Å²	13	47.2 Å²	47.2	6%	0.057	24%	0.24	C	C	.	.	H	α-helix	trans	-61.5	-47	171.7	173.7	-93.3	0	0	0	111.3	F92 Y93 F96 T128 R129 I130 M134 Y135 Y136 F174	F92-F132 HydrophobicContact CD1-CD2 4.41Å; F92-F132 AromaticContact CD1-CE2 3.52Å; F92-F132 HydrophobicContact CD1-CE2 3.52Å; F92-F132 AromaticContact CD1-CZ 3.76Å; F92-F132 HydrophobicContact CD1-CZ 3.76Å; F92-F132 HydrophobicContact CE1-CD2 4.38Å; F92-F132 AromaticContact CE1-CE2 3.88Å; F92-F132 HydrophobicContact CE1-CE2 3.88Å; F92-F132 HydrophobicContact CE1-CZ 4.23Å; Y93-F132 AromaticContact CD1-CD2 3.83Å; Y93-F132 HydrophobicContact CD1-CD2 3.83Å; Y93-F132 AromaticContact CD1-CE2 3.36Å; Y93-F132 HydrophobicContact CD1-CE2 3.36Å; Y93-F132 AromaticContact CD1-CZ 3.91Å; Y93-F132 HydrophobicContact CD1-CZ 3.91Å; Y93-F132 HydrophobicContact CD2-CE2 4.11Å; Y93-F132 HydrophobicContact CD2-CZ 4.1Å; Y93-F132 HydrophobicContact CE1-CD1 4.32Å; Y93-F132 AromaticContact CE1-CD2 3.77Å; Y93-F132 HydrophobicContact CE1-CD2 3.77Å; Y93-F132 AromaticContact CE1-CE1 3.97Å; Y93-F132 HydrophobicContact CE1-CE1 3.97Å; Y93-F132 AromaticContact CE1-CE2 3.35Å; Y93-F132 HydrophobicContact CE1-CE2 3.35Å; Y93-F132 HydrophobicContact CE1-CG 4.23Å; Y93-F132 AromaticContact CE1-CZ 3.47Å; Y93-F132 HydrophobicContact CE1-CZ 3.47Å; Y93-F132 VanDerWaalsContact CE1-CZ 3.47Å; Y93-F132 HydrophobicContact CE2-CE1 4.46Å; Y93-F132 HydrophobicContact CE2-CE2 4.09Å; Y93-F132 AromaticContact CE2-CZ 3.67Å; Y93-F132 HydrophobicContact CE2-CZ 3.67Å; Y93-F132 AromaticContact CG-CE2 3.75Å; Y93-F132 HydrophobicContact CG-CE2 3.75Å; Y93-F132 HydrophobicContact CG-CZ 4.19Å; Y93-F132 AromaticContact CZ-CE1 3.79Å; Y93-F132 AromaticContact CZ-CE2 3.73Å; Y93-F132 AromaticContact CZ-CZ 3.33Å; F96-F132 HydrophobicContact CB-CD2 4.17Å; F96-F132 HydrophobicContact CD1-CB 4.22Å; F96-F132 AromaticContact CD1-CD2 3.79Å; F96-F132 HydrophobicContact CD1-CD2 3.79Å; F96-F132 HydrophobicContact CE1-CB 3.89Å; F96-F132 HydrophobicContact CE1-CD2 4.32Å; F96-F132 HydrophobicContact CE2-CB 4.47Å; F96-F132 AromaticContact CG-CD2 3.94Å; F96-F132 HydrophobicContact CG-CD2 3.94Å; F96-F132 HydrophobicContact CZ-CB 4.02Å; T128-F132 PolarHBondContact O-N 3.28Å; R129-F132 WeakPolarHBondContact O-CB 3.11Å; R129-F132 PolarHBondContact O-N 3.48Å; I130-F132 PolarHBondContact O-N 3.29Å; F132-M134 VanDerWaalsContact C-N 3.35Å; F132-M134 PolarHBondContact O-N 2.78Å; F132-Y135 PolarHBondContact O-N 2.95Å; F132-Y136 WeakPolarHBondContact O-CB 3.39Å; F132-Y136 PolarHBondContact O-N 3.3Å; F132-F174 HydrophobicContact CE1-CD2 4.03Å; F132-F174 AromaticContact CE1-CE2 3.93Å; F132-F174 HydrophobicContact CE1-CE2 3.93Å
133	I	59.8	Low	56.1	Low	18 Å²	18	51.1 Å²	51.1	9%	0.092	26%	0.256	C	S	.	.	H	α-helix	trans	-56.8	-51.1	175	-69	164.6	0	0	0	109.4	R129 I130 Y135 Y136 C137 F174	R129-I133 HydrophobicContact CG-CD1 4.37Å; R129-I133 VanDerWaalsContact O-CG1 3.31Å; R129-I133 WeakPolarHBondContact O-CG1 3.39Å; R129-I133 PolarHBondContact O-N 3.48Å; I130-I133 WeakPolarHBondContact O-CB 3.22Å; I130-I133 PolarHBondContact O-N 2.99Å; I130-I133 VanDerWaalsContact O-N 3.11Å; I133-Y135 PolarHBondContact O-N 3.04Å; I133-Y136 WeakPolarHBondContact O-CB 3.02Å; I133-Y136 PolarHBondContact O-N 2.68Å; I133-C137 PolarHBondContact O-N 2.8Å; I133-C137 PolarHBondContact O-SG 3.24Å; I133-F174 HydrophobicContact CG1-CB 4.3Å; I133-F174 HydrophobicContact CG2-CB 4.44Å; I133-F174 WeakPolarHBondContact CG2-O 3.37Å
134	M	57.9	Low	55.8	Low	34 Å²	34	53 Å²	53	17%	0.167	27%	0.265	C	S	.	.	H	α-helix	trans	-59.6	-45.3	179.5	-72.4	-54.3	-40.3	0	0	113	F12 I130 Q131 F132 Y136 C137 T138	F12-M134 HydrophobicContact CE1-CE 4.07Å; F12-M134 HydrophobicContact CE1-SD 4.09Å; F12-M134 HydrophobicContact CZ-CE 3.48Å; F12-M134 VanDerWaalsContact CZ-CE 3.48Å; F12-M134 HydrophobicContact CZ-SD 4.03Å; I130-M134 WeakPolarHBondContact O-CG 3.48Å; I130-M134 PolarHBondContact O-N 3.42Å; Q131-M134 PolarHBondContact O-N 3.5Å; F132-M134 VanDerWaalsContact C-N 3.35Å; F132-M134 PolarHBondContact O-N 2.78Å; M134-Y136 VanDerWaalsContact C-N 3.35Å; M134-C137 PolarHBondContact O-N 3.15Å; M134-T138 WeakPolarHBondContact O-CB 3.42Å; M134-T138 PolarHBondContact O-N 3.17Å; M134-T138 PolarHBondContact O-OG1 2.75Å
135	Y	61.4	Low	55.4	Low	64 Å²	64	52.9 Å²	52.9	25%	0.251	27%	0.267	S	S	.	.	H	α-helix	trans	-63	-43.4	177.2	179.3	-103.4	0	0	0	110.9	F92 K95 F96 T99 Q131 F132 I133 T138 A139	F92-Y135 HydrophobicContact CD1-CD1 4.41Å; F92-Y135 AromaticContact CE1-CD1 3.31Å; F92-Y135 HydrophobicContact CE1-CD1 3.31Å; F92-Y135 AromaticContact CE1-CE1 3.7Å; F92-Y135 HydrophobicContact CE1-CE1 3.7Å; F92-Y135 HydrophobicContact CE1-CG 4.41Å; F92-Y135 HydrophobicContact CE2-CD1 4.01Å; F92-Y135 AromaticContact CE2-CE1 3.67Å; F92-Y135 HydrophobicContact CE2-CE1 3.67Å; F92-Y135 AromaticContact CZ-CD1 3.02Å; F92-Y135 HydrophobicContact CZ-CD1 3.02Å; F92-Y135 AromaticContact CZ-CE1 3.16Å; F92-Y135 HydrophobicContact CZ-CE1 3.16Å; F92-Y135 HydrophobicContact CZ-CG 4.02Å; K95-Y135 HydrophobicContact CB-CE1 4.4Å; F96-Y135 HydrophobicContact CB-CD1 3.59Å; F96-Y135 HydrophobicContact CB-CE1 3.7Å; F96-Y135 HydrophobicContact CB-CG 4.47Å; F96-Y135 AromaticContact CD2-CD1 3.51Å; F96-Y135 HydrophobicContact CD2-CD1 3.51Å; F96-Y135 HydrophobicContact CD2-CD2 4.27Å; F96-Y135 HydrophobicContact CD2-CE1 4.28Å; F96-Y135 AromaticContact CD2-CG 3.55Å; F96-Y135 HydrophobicContact CD2-CG 3.55Å; F96-Y135 HydrophobicContact CE2-CG 4.29Å; F96-Y135 AromaticContact CG-CD1 3.97Å; F96-Y135 HydrophobicContact CG-CD1 3.97Å; F96-Y135 HydrophobicContact CG-CE1 4.5Å; F96-Y135 HydrophobicContact CG-CG 4.45Å; T99-Y135 HydrophobicContact CG2-CE2 4.31Å; T99-Y135 PolarHBondContact OG1-OH 3.28Å; Q131-Y135 WeakPolarHBondContact O-CB 3.19Å; Q131-Y135 PolarHBondContact O-N 2.87Å; F132-Y135 PolarHBondContact O-N 2.95Å; I133-Y135 PolarHBondContact O-N 3.04Å; Y135-T138 PolarHBondContact O-N 3.46Å; Y135-A139 VanDerWaalsContact O-CB 3.29Å; Y135-A139 WeakPolarHBondContact O-CB 3.24Å; Y135-A139 PolarHBondContact O-N 2.88Å
136	Y	63.2	Low	55.1	Low	18 Å²	18	48.1 Å²	48.1	7%	0.071	25%	0.254	C	S	.	.	H	α-helix	trans	-56.7	-50.3	173.8	-177.9	-106.4	0	0	0	111.9	F92 F132 I133 M134 T138 A139 L140 D170 H172 F174	F92-Y136 AromaticContact CD1-CD2 3.63Å; F92-Y136 HydrophobicContact CD1-CD2 3.63Å; F92-Y136 HydrophobicContact CD1-CG 4.37Å; F92-Y136 HydrophobicContact CD2-CD2 4.28Å; F92-Y136 VanDerWaalsContact CE1-CB 3.44Å; F92-Y136 AromaticContact CE1-CD2 3.63Å; F92-Y136 HydrophobicContact CE1-CD2 3.63Å; F92-Y136 HydrophobicContact CE1-CG 4.01Å; F92-Y136 HydrophobicContact CE2-CD2 4.3Å; F92-Y136 AromaticContact CG-CD2 3.98Å; F92-Y136 HydrophobicContact CG-CD2 3.98Å; F92-Y136 HydrophobicContact CZ-CD2 4Å; F92-Y136 HydrophobicContact CZ-CG 4.41Å; F132-Y136 WeakPolarHBondContact O-CB 3.39Å; F132-Y136 PolarHBondContact O-N 3.3Å; I133-Y136 WeakPolarHBondContact O-CB 3.02Å; I133-Y136 PolarHBondContact O-N 2.68Å; M134-Y136 VanDerWaalsContact C-N 3.35Å; Y136-T138 PolarHBondContact O-N 3.22Å; Y136-A139 PolarHBondContact O-N 3.32Å; Y136-L140 HydrophobicContact CD1-CD1 4.28Å; Y136-L140 HydrophobicContact CE1-CD1 3.78Å; Y136-L140 WeakPolarHBondContact O-CG 3.43Å; Y136-L140 PolarHBondContact O-N 2.73Å; Y136-L140 VanDerWaalsContact O-N 3.14Å; Y136-D170 WeakPolarHBondContact CE1-OD1 3.11Å; Y136-H172 AromaticContact CZ-CD2 3.9Å; Y136-H172 PolarHBondContact OH-CD2 2.81Å; Y136-F174 HydrophobicContact CD1-CB 3.89Å; Y136-F174 HydrophobicContact CD1-CD2 4.11Å; Y136-F174 HydrophobicContact CE1-CB 4.15Å; Y136-F174 HydrophobicContact CE1-CD2 4.2Å
137	C	61.6	Low	54.8	Low	18 Å²	18	49 Å²	49	12%	0.122	26%	0.26	C	S	.	.	H	α-helix	trans	-67.7	-38.5	-178.4	-56.1	0	0	0	0	113.1	I133 M134 A139 L140 C175	I133-C137 PolarHBondContact O-N 2.8Å; I133-C137 PolarHBondContact O-SG 3.24Å; M134-C137 PolarHBondContact O-N 3.15Å; C137-A139 VanDerWaalsContact C-N 3.32Å; C137-A139 PolarHBondContact O-N 2.88Å; C137-L140 PolarHBondContact O-N 2.78Å; C137-C175 WeakPolarHBondContact CA-SG 3.15Å; C137-C175 HydrophobicContact CB-CB 3.79Å; C137-C175 WeakPolarHBondContact CB-SG 3.32Å; C137-C175 WeakPolarHBondContact SG-CA 3.34Å; C137-C175 WeakPolarHBondContact SG-CB 3.37Å; C137-C175 CovalentContact SG-SG 2.03Å; C137-C175 PolarHBondContact SG-SG 3.04Å
138	T	59.9	Low	54.4	Low	40 Å²	40	52.9 Å²	52.9	25%	0.245	28%	0.281	C	S	.	.	H	α-helix	trans	-65	-39.4	174.8	-50	0	0	0	0	110.9	L6 M134 Y135 Y136 L140 L141	L6-T138 HydrophobicContact CD2-CG2 3.97Å; M134-T138 WeakPolarHBondContact O-CB 3.42Å; M134-T138 PolarHBondContact O-N 3.17Å; M134-T138 PolarHBondContact O-OG1 2.75Å; Y135-T138 PolarHBondContact O-N 3.46Å; Y136-T138 PolarHBondContact O-N 3.22Å; T138-L140 PolarHBondContact O-N 3.43Å; T138-L141 WeakPolarHBondContact O-CB 3.48Å; T138-L141 PolarHBondContact O-N 2.98Å
139	A	63.8	Low	53.6	Low	48 Å²	48	60.1 Å²	60.1	40%	0.397	31%	0.313	S	S	.	.	H	α-helix	trans	-71.1	-17	179	0	0	0	0	0	113.9	F92 Y135 Y136 C137 L141	F92-A139 HydrophobicContact CE2-CB 3.4Å; F92-A139 HydrophobicContact CZ-CB 3.76Å; Y135-A139 VanDerWaalsContact O-CB 3.29Å; Y135-A139 WeakPolarHBondContact O-CB 3.24Å; Y135-A139 PolarHBondContact O-N 2.88Å; Y136-A139 PolarHBondContact O-N 3.32Å; C137-A139 VanDerWaalsContact C-N 3.32Å; C137-A139 PolarHBondContact O-N 2.88Å; A139-L141 VanDerWaalsContact C-N 3.3Å
140	L	59.2	Low	52.8	Low	21 Å²	21	62.6 Å²	62.6	11%	0.11	33%	0.332	C	S	.	.	H	α-helix	trans	-77.2	-18.4	169.8	-65.9	176.5	0	0	0	112.3	Y136 C137 T138 D142 R168 Q169 D170	Y136-L140 HydrophobicContact CD1-CD1 4.28Å; Y136-L140 HydrophobicContact CE1-CD1 3.78Å; Y136-L140 WeakPolarHBondContact O-CG 3.43Å; Y136-L140 PolarHBondContact O-N 2.73Å; Y136-L140 VanDerWaalsContact O-N 3.14Å; C137-L140 PolarHBondContact O-N 2.78Å; T138-L140 PolarHBondContact O-N 3.43Å; L140-D142 PolarHBondContact O-N 2.03Å; L140-R168 HydrophobicContact CB-CB 4.31Å; L140-R168 HydrophobicContact CD2-CB 3.79Å; L140-R168 WeakPolarHBondContact O-CB 3.44Å; L140-R168 PolarHBondContact O-N 3.46Å; L140-Q169 WeakPolarHBondContact CD2-O 3.39Å; L140-D170 HydrophobicContact CD1-CB 3.57Å
141	L	57.3	Low	52.1	Low	38 Å²	38	68.8 Å²	68.8	20%	0.199	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	95.8	174	-56.6	178.3	0	0	0	108.9	M40 T138 A139 F143 L165 V167	M40-L141 HydrophobicContact CE-CD2 4.47Å; T138-L141 WeakPolarHBondContact O-CB 3.48Å; T138-L141 PolarHBondContact O-N 2.98Å; A139-L141 VanDerWaalsContact C-N 3.3Å; L141-F143 HydrophobicContact CB-CD2 4.46Å; L141-F143 HydrophobicContact CB-CE2 3.8Å; L141-F143 HydrophobicContact CB-CZ 4.34Å; L141-F143 WeakPolarHBondContact O-CD2 3.15Å; L141-L165 HydrophobicContact CB-CD1 4.19Å; L141-L165 HydrophobicContact CD2-CD1 4.47Å; L141-L165 HydrophobicContact CD2-CD2 4.3Å; L141-V167 HydrophobicContact CD2-CG1 4.23Å; L141-V167 HydrophobicContact CD2-CG2 3.84Å
142	D	58.2	Low	51.4	Low	43 Å²	43	72.7 Å²	72.7	23%	0.23	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	115.4	175.7	-155.3	-9.8	0	0	0	108.9	L140 N144 I166 R168	L140-D142 PolarHBondContact O-N 2.03Å; D142-N144 PolarHBondContact O-N 2.79Å; D142-I166 WeakPolarHBondContact CA-O 3.35Å; D142-I166 HydrophobicContact CB-CB 4.19Å; D142-I166 VanDerWaalsContact CB-O 3.24Å; D142-I166 WeakPolarHBondContact CB-O 3.46Å; D142-I166 PolarHBondContact N-O 3.12Å; D142-I166 PolarHBondContact O-N 3.15Å; D142-R168 HydrophobicContact CB-CG 4.41Å; D142-R168 IonicContact OD2-CZ 2.68Å; D142-R168 IonicContact OD2-NE 3.89Å; D142-R168 PolarHBondContact OD2-NE 2.95Å; D142-R168 VanDerWaalsContact OD2-NE 3.08Å; D142-R168 IonicContact OD2-NH2 2.71Å; D142-R168 PolarHBondContact OD2-NH2 2.69Å
143	F	51	Low	50.5	Low	113 Å²	113	79.7 Å²	79.7	50%	0.496	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	89.4	178.6	-69.2	-91.7	0	0	0	108.6	L141 T145 L165	L141-F143 HydrophobicContact CB-CD2 4.46Å; L141-F143 HydrophobicContact CB-CE2 3.8Å; L141-F143 HydrophobicContact CB-CZ 4.34Å; L141-F143 WeakPolarHBondContact O-CD2 3.15Å; F143-T145 PolarHBondContact O-N 3Å; F143-L165 HydrophobicContact CD1-CD1 3.69Å; F143-L165 HydrophobicContact CD2-CD1 4.39Å; F143-L165 HydrophobicContact CE1-CD1 3.28Å; F143-L165 HydrophobicContact CE2-CD1 4.04Å; F143-L165 HydrophobicContact CG-CD1 4.24Å; F143-L165 HydrophobicContact CZ-CD1 3.47Å; F143-L165 VanDerWaalsContact CZ-CD1 3.47Å
144	N	49.1	Very low	49.5	Very low	61 Å²	61	81.4 Å²	81.4	33%	0.326	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	111.3	171.9	-87.5	-14.2	0	0	0	109.1	D142 H146 Q164 I166	D142-N144 PolarHBondContact O-N 2.79Å; N144-H146 PolarHBondContact O-N 3.14Å; N144-Q164 PolarHBondContact N-O 3.21Å; N144-Q164 PolarHBondContact O-N 3.1Å; N144-I166 HydrophobicContact CB-CD1 4.44Å; N144-I166 VanDerWaalsContact ND2-CD1 3.3Å; N144-I166 WeakPolarHBondContact ND2-CD1 3.19Å
145	T	42	Very low	49	Very low	82 Å²	82	86 Å²	86	50%	0.503	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	99.7	164.6	50	0	0	0	0	107.9	F143 S147 F163	F143-T145 PolarHBondContact O-N 3Å; T145-S147 PolarHBondContact O-N 3.45Å; T145-S147 VanDerWaalsContact O-N 3.17Å; T145-F163 HydrophobicContact CG2-CD1 3.72Å; T145-F163 HydrophobicContact CG2-CE1 3.52Å
146	H	41.4	Very low	48.2	Very low	102 Å²	102	87.2 Å²	87.2	47%	0.472	48%	0.482	S	S	.	.			trans	-77	97.6	158.1	-79.4	-7.2	0	0	0	107.3	N144 N148	N144-H146 PolarHBondContact O-N 3.14Å; H146-N148 PolarHBondContact O-N 3.26Å
147	S	38	Very low	47.1	Very low	104 Å²	104	92.5 Å²	92.5	73%	0.727	52%	0.522	S	S	*	.			trans	-72.6	67.1	158.3	56.8	0	0	0	0	108	T145 E149	T145-S147 PolarHBondContact O-N 3.45Å; T145-S147 VanDerWaalsContact O-N 3.17Å; S147-E149 PolarHBondContact O-N 3Å
148	N	40.4	Very low	46	Very low	123 Å²	123	96.7 Å²	96.7	66%	0.658	55%	0.547	S	S	*	.			trans	-76	114.5	165.6	-77.4	10.4	0	0	0	106.2	H146 D150	H146-N148 PolarHBondContact O-N 3.26Å; N148-D150 PolarHBondContact O-N 3.34Å
149	E	38.4	Very low	45	Very low	172 Å²	172	99.8 Å²	99.8	80%	0.804	57%	0.57	S	S	*	*			trans	-62.6	9.7	-177.7	-70.6	-179.5	139.2	0	0	114.7	S147 Y151	S147-E149 PolarHBondContact O-N 3Å; E149-Y151 PolarHBondContact O-N 3.11Å
150	D	36	Very low	43.8	Very low	129 Å²	129	101.5 Å²	101.5	69%	0.69	59%	0.585	S	S	*	*			trans	-105.8	54.5	-168.2	-65.1	-34.3	0	0	0	114.2	N148	N148-D150 PolarHBondContact O-N 3.34Å
151	Y	38.8	Very low	42.9	Very low	166 Å²	166	109.4 Å²	109.4	65%	0.651	61%	0.613	S	S	*	*			trans	-122.5	48.1	152.2	-84.4	-85.9	0	0	0	109.9	E149 N153	E149-Y151 PolarHBondContact O-N 3.11Å; Y151-N153 PolarHBondContact O-N 3.38Å
152	T	41.1	Very low	42	Very low	119 Å²	119	114.8 Å²	114.8	73%	0.73	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.8	-2.4	171.7	33.3	0	0	0	0	114
153	N	41.7	Very low	41.3	Very low	161 Å²	161	118.5 Å²	118.5	86%	0.861	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.1	14.8	-178.3	-75.2	-11.4	0	0	0	116.2	Y151	Y151-N153 PolarHBondContact O-N 3.38Å
154	S	39.7	Very low	41	Very low	53 Å²	53	116.6 Å²	116.6	37%	0.371	64%	0.642	S	S	.	*			trans	-104	106.3	169.9	104	0	0	0	0	109.8	T156	S154-T156 PolarHBondContact O-N 2.81Å; S154-T156 PolarHBondContact OG-O 2.78Å; S154-T156 PolarHBondContact OG-OG1 3.13Å
155	S	46.6	Very low	40.8	Very low	131 Å²	131	114.8 Å²	114.8	92%	0.916	63%	0.632	S	S	*	*			trans	-63.6	10	173.9	47.3	0	0	0	0	114.2
156	T	45.3	Very low	41.3	Very low	89 Å²	89	113.2 Å²	113.2	55%	0.546	62%	0.62	S	S	.	*	S	Bend	trans	-102.4	111.8	169.1	48	0	0	0	0	109	S154 T158	S154-T156 PolarHBondContact O-N 2.81Å; S154-T156 PolarHBondContact OG-O 2.78Å; S154-T156 PolarHBondContact OG-OG1 3.13Å; T156-T158 PolarHBondContact O-N 3.22Å
157	S	40.3	Very low	41.9	Very low	129 Å²	129	109.9 Å²	109.9	90%	0.902	61%	0.607	S	S	*	*			trans	-67.1	29.7	-175.5	65.5	0	0	0	0	115.4
158	T	38.8	Very low	42.7	Very low	107 Å²	107	111.7 Å²	111.7	66%	0.656	60%	0.597	S	S	*	*			trans	-101.5	86.9	168.5	40.3	0	0	0	0	107.8	T156 A160	T156-T158 PolarHBondContact O-N 3.22Å; T158-A160 PolarHBondContact O-N 3.27Å
159	S	37.9	Very low	43.3	Very low	104 Å²	104	111 Å²	111	73%	0.727	59%	0.59	S	S	*	*			trans	-63.1	87.1	168	60.8	0	0	0	0	108.7	R161	S159-R161 PolarHBondContact O-N 2.75Å
160	A	38.3	Very low	44.1	Very low	85 Å²	85	103.4 Å²	103.4	70%	0.702	56%	0.555	S	S	*	*			trans	-71.2	98.4	174.4	0	0	0	0	0	107.8	T158 K162	T158-A160 PolarHBondContact O-N 3.27Å; A160-K162 PolarHBondContact O-N 3.24Å
161	R	40.4	Very low	44.7	Very low	186 Å²	186	100.1 Å²	100.1	70%	0.702	54%	0.537	S	S	*	.			trans	-64	116.3	172.7	-71.6	-176.7	179.5	-177.5	-0.8	108.2	S159 F163	S159-R161 PolarHBondContact O-N 2.75Å; R161-F163 HydrophobicContact CB-CD2 4.43Å; R161-F163 HydrophobicContact CB-CE2 3.79Å; R161-F163 HydrophobicContact CB-CZ 3.96Å; R161-F163 WeakPolarHBondContact O-CD2 3.31Å; R161-F163 WeakPolarHBondContact O-CE2 3.37Å; R161-F163 PolarHBondContact O-N 3.3Å
162	K	38.6	Very low	45.3	Very low	152 Å²	152	93.3 Å²	93.3	66%	0.661	51%	0.511	S	S	*	.			trans	-72.8	115.2	168.2	-83.4	-174.1	177.5	-179.4	0	108.3	A160	A160-K162 PolarHBondContact O-N 3.24Å
163	F	44.2	Very low	45.8	Very low	120 Å²	120	89 Å²	89	53%	0.526	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	124.8	170	-62.4	-88.9	0	0	0	107.9	T145 R161	T145-F163 HydrophobicContact CG2-CD1 3.72Å; T145-F163 HydrophobicContact CG2-CE1 3.52Å; R161-F163 HydrophobicContact CB-CD2 4.43Å; R161-F163 HydrophobicContact CB-CE2 3.79Å; R161-F163 HydrophobicContact CB-CZ 3.96Å; R161-F163 WeakPolarHBondContact O-CD2 3.31Å; R161-F163 WeakPolarHBondContact O-CE2 3.37Å; R161-F163 PolarHBondContact O-N 3.3Å
164	Q	43.3	Very low	46.4	Very low	73 Å²	73	82.1 Å²	82.1	34%	0.341	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	114.6	167.1	-170.7	172.4	-5.6	0	0	107.9	N144 I166	N144-Q164 PolarHBondContact N-O 3.21Å; N144-Q164 PolarHBondContact O-N 3.1Å; Q164-I166 HydrophobicContact CG-CG1 4.19Å; Q164-I166 PolarHBondContact O-N 3.41Å
165	L	46.6	Very low	47.4	Very low	24 Å²	24	80.2 Å²	80.2	13%	0.126	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	112.2	171.4	-167.8	84.2	0	0	0	108.3	I32 L141 F143 V167	I32-L165 HydrophobicContact CD1-CD2 3.52Å; I32-L165 HydrophobicContact CG1-CD2 3.7Å; L141-L165 HydrophobicContact CB-CD1 4.19Å; L141-L165 HydrophobicContact CD2-CD1 4.47Å; L141-L165 HydrophobicContact CD2-CD2 4.3Å; F143-L165 HydrophobicContact CD1-CD1 3.69Å; F143-L165 HydrophobicContact CD2-CD1 4.39Å; F143-L165 HydrophobicContact CE1-CD1 3.28Å; F143-L165 HydrophobicContact CE2-CD1 4.04Å; F143-L165 HydrophobicContact CG-CD1 4.24Å; F143-L165 HydrophobicContact CZ-CD1 3.47Å; F143-L165 VanDerWaalsContact CZ-CD1 3.47Å; L165-V167 HydrophobicContact CD2-CG2 3.85Å; L165-V167 HydrophobicContact CG-CG2 4.17Å
166	I	51	Low	47.6	Very low	49 Å²	49	75.5 Å²	75.5	25%	0.251	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	111.9	171.1	-57	179.5	0	0	0	107.2	D142 N144 Q164 R168	D142-I166 WeakPolarHBondContact CA-O 3.35Å; D142-I166 HydrophobicContact CB-CB 4.19Å; D142-I166 VanDerWaalsContact CB-O 3.24Å; D142-I166 WeakPolarHBondContact CB-O 3.46Å; D142-I166 PolarHBondContact N-O 3.12Å; D142-I166 PolarHBondContact O-N 3.15Å; N144-I166 HydrophobicContact CB-CD1 4.44Å; N144-I166 VanDerWaalsContact ND2-CD1 3.3Å; N144-I166 WeakPolarHBondContact ND2-CD1 3.19Å; Q164-I166 HydrophobicContact CG-CG1 4.19Å; Q164-I166 PolarHBondContact O-N 3.41Å; I166-R168 PolarHBondContact O-N 2.85Å
167	V	54.2	Low	47.8	Very low	31 Å²	31	72.3 Å²	72.3	19%	0.188	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	109.4	177.7	-174	0	0	0	0	108.6	M40 L141 L165	M40-V167 HydrophobicContact CE-CG1 4.23Å; M40-V167 HydrophobicContact CE-CG2 4.29Å; M40-V167 HydrophobicContact CG-CB 4.44Å; M40-V167 HydrophobicContact CG-CG1 3.98Å; M40-V167 HydrophobicContact CG-CG2 4.47Å; M40-V167 HydrophobicContact SD-CB 4.34Å; M40-V167 HydrophobicContact SD-CG1 4.16Å; M40-V167 HydrophobicContact SD-CG2 3.75Å; L141-V167 HydrophobicContact CD2-CG1 4.23Å; L141-V167 HydrophobicContact CD2-CG2 3.84Å; L165-V167 HydrophobicContact CD2-CG2 3.85Å; L165-V167 HydrophobicContact CG-CG2 4.17Å
168	R	56.2	Low	48.2	Very low	142 Å²	142	66.9 Å²	66.9	54%	0.536	34%	0.339	S	S	.	.			trans	-68.7	159.5	174.3	-65	-175.5	-179.8	-161.7	1.9	110.5	L140 D142 I166 D170	L140-R168 HydrophobicContact CB-CB 4.31Å; L140-R168 HydrophobicContact CD2-CB 3.79Å; L140-R168 WeakPolarHBondContact O-CB 3.44Å; L140-R168 PolarHBondContact O-N 3.46Å; D142-R168 HydrophobicContact CB-CG 4.41Å; D142-R168 IonicContact OD2-CZ 2.68Å; D142-R168 IonicContact OD2-NE 3.89Å; D142-R168 PolarHBondContact OD2-NE 2.95Å; D142-R168 VanDerWaalsContact OD2-NE 3.08Å; D142-R168 IonicContact OD2-NH2 2.71Å; D142-R168 PolarHBondContact OD2-NH2 2.69Å; I166-R168 PolarHBondContact O-N 2.85Å; R168-D170 PolarHBondContact O-N 3.43Å
169	Q	52.8	Low	48.6	Very low	109 Å²	109	62.3 Å²	62.3	51%	0.509	31%	0.312	S	S	.	.			trans	-70.8	124	-172.6	-59.2	-168.6	-20.7	0	0	112.9	Y44 L140 I171	Y44-Q169 HydrophobicContact CE1-CB 3.97Å; Y44-Q169 VanDerWaalsContact CE1-CD 3.5Å; Y44-Q169 HydrophobicContact CE1-CG 3.71Å; Y44-Q169 HydrophobicContact CE2-CB 4.01Å; Y44-Q169 VanDerWaalsContact CZ-CB 3.41Å; Y44-Q169 WeakPolarHBondContact OH-CA 3.45Å; Y44-Q169 WeakPolarHBondContact OH-CB 3.23Å; Y44-Q169 WeakPolarHBondContact OH-CG 3.16Å; L140-Q169 WeakPolarHBondContact CD2-O 3.39Å; Q169-I171 HydrophobicContact CB-CG1 4.4Å; Q169-I171 PolarHBondContact O-N 3.45Å
170	D	55	Low	48.8	Very low	13 Å²	13	58.7 Å²	58.7	7%	0.07	29%	0.288	C	S	.	.			trans	-77.7	79.5	168.3	-179.6	6.9	0	0	0	109.7	Y44 Y136 L140 R168 H172 Q173 F174 C175	Y44-D170 VanDerWaalsContact CE2-O 3.3Å; Y44-D170 WeakPolarHBondContact CE2-O 3.3Å; Y136-D170 WeakPolarHBondContact CE1-OD1 3.11Å; L140-D170 HydrophobicContact CD1-CB 3.57Å; R168-D170 PolarHBondContact O-N 3.43Å; D170-H172 VanDerWaalsContact C-N 3.33Å; D170-H172 PolarHBondContact O-N 3.48Å; D170-H172 PolarHBondContact OD1-N 3.46Å; D170-Q173 VanDerWaalsContact CG-CA 3.46Å; D170-Q173 PolarHBondContact O-N 3.25Å; D170-Q173 VanDerWaalsContact OD1-CA 3.3Å; D170-Q173 WeakPolarHBondContact OD1-CA 3.3Å; D170-Q173 PolarHBondContact OD1-N 3.34Å; D170-Q173 VanDerWaalsContact OD2-C 3.31Å; D170-Q173 WeakPolarHBondContact OD2-CA 3.39Å; D170-F174 PolarHBondContact OD1-N 3.17Å; D170-F174 PolarHBondContact OD2-N 2.75Å; D170-C175 HydrophobicContact CB-CB 4.4Å; D170-C175 WeakPolarHBondContact OD2-CA 2.93Å; D170-C175 WeakPolarHBondContact OD2-CB 3.43Å; D170-C175 PolarHBondContact OD2-N 3.36Å
171	I	48.8	Very low	48.9	Very low	59 Å²	59	61.5 Å²	61.5	30%	0.303	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-53.2	178	-66.5	175.8	0	0	0	108.3	F49 G50 Q169 Q173	F49-I171 HydrophobicContact CB-CG2 4.11Å; F49-I171 HydrophobicContact CD1-CG2 3.77Å; F49-I171 HydrophobicContact CG-CG2 4.44Å; F49-I171 WeakPolarHBondContact O-CG2 3.32Å; G50-I171 CarbonylContact C-O 3.48Å; G50-I171 WeakPolarHBondContact CA-O 3.46Å; Q169-I171 HydrophobicContact CB-CG1 4.4Å; Q169-I171 PolarHBondContact O-N 3.45Å; I171-Q173 VanDerWaalsContact C-N 3.28Å; I171-Q173 PolarHBondContact O-N 3.31Å
172	H	50.7	Low	49.1	Very low	24 Å²	24	58 Å²	58	11%	0.111	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-1.6	-171	-57.8	-59.8	0	0	0	115.3	N54 T89 Y136 D170 F174	N54-H172 PolarHBondContact OD1-O 3.45Å; N54-H172 VanDerWaalsContact OD1-O 3.13Å; T89-H172 WeakPolarHBondContact CG2-NE2 3.47Å; Y136-H172 AromaticContact CZ-CD2 3.9Å; Y136-H172 PolarHBondContact OH-CD2 2.81Å; D170-H172 VanDerWaalsContact C-N 3.33Å; D170-H172 PolarHBondContact O-N 3.48Å; D170-H172 PolarHBondContact OD1-N 3.46Å; H172-F174 HydrophobicContact CB-CD1 4.37Å; H172-F174 HydrophobicContact CB-CD2 3.55Å; H172-F174 HydrophobicContact CB-CE1 4.34Å; H172-F174 HydrophobicContact CB-CE2 3.52Å; H172-F174 HydrophobicContact CB-CG 4Å; H172-F174 HydrophobicContact CB-CZ 3.95Å; H172-F174 PolarHBondContact O-N 3.25Å; H172-F174 VanDerWaalsContact O-N 3.13Å
173	Q	50.9	Low	49	Very low	29 Å²	29	52.6 Å²	52.6	14%	0.136	26%	0.256	C	S	.	.			trans	54.5	30.3	-178.1	-54.9	-166.5	17.7	0	0	113.8	G50 T51 D170 I171 C175 K177 Q214	G50-Q173 WeakPolarHBondContact O-CG 2.9Å; T51-Q173 VanDerWaalsContact CA-NE2 3.35Å; D170-Q173 VanDerWaalsContact CG-CA 3.46Å; D170-Q173 PolarHBondContact O-N 3.25Å; D170-Q173 VanDerWaalsContact OD1-CA 3.3Å; D170-Q173 WeakPolarHBondContact OD1-CA 3.3Å; D170-Q173 PolarHBondContact OD1-N 3.34Å; D170-Q173 VanDerWaalsContact OD2-C 3.31Å; D170-Q173 WeakPolarHBondContact OD2-CA 3.39Å; I171-Q173 VanDerWaalsContact C-N 3.28Å; I171-Q173 PolarHBondContact O-N 3.31Å; Q173-C175 VanDerWaalsContact C-N 3.26Å; Q173-K177 VanDerWaalsContact CD-NZ 3.26Å; Q173-Q214 PolarHBondContact O-NE2 3.47Å; Q173-Q214 VanDerWaalsContact O-NE2 3.11Å
174	F	55.6	Low	49	Very low	16 Å²	16	48.2 Å²	48.2	7%	0.07	24%	0.244	C	C	.	.			trans	-75.6	-23	176	-69.7	-32.4	0	0	0	111.6	P55 F132 I133 Y136 D170 H172	P55-F174 HydrophobicContact CG-CE2 4.01Å; P55-F174 HydrophobicContact CG-CZ 3.72Å; F132-F174 HydrophobicContact CE1-CD2 4.03Å; F132-F174 AromaticContact CE1-CE2 3.93Å; F132-F174 HydrophobicContact CE1-CE2 3.93Å; I133-F174 HydrophobicContact CG1-CB 4.3Å; I133-F174 HydrophobicContact CG2-CB 4.44Å; I133-F174 WeakPolarHBondContact CG2-O 3.37Å; Y136-F174 HydrophobicContact CD1-CB 3.89Å; Y136-F174 HydrophobicContact CD1-CD2 4.11Å; Y136-F174 HydrophobicContact CE1-CB 4.15Å; Y136-F174 HydrophobicContact CE1-CD2 4.2Å; D170-F174 PolarHBondContact OD1-N 3.17Å; D170-F174 PolarHBondContact OD2-N 2.75Å; H172-F174 HydrophobicContact CB-CD1 4.37Å; H172-F174 HydrophobicContact CB-CD2 3.55Å; H172-F174 HydrophobicContact CB-CE1 4.34Å; H172-F174 HydrophobicContact CB-CE2 3.52Å; H172-F174 HydrophobicContact CB-CG 4Å; H172-F174 HydrophobicContact CB-CZ 3.95Å; H172-F174 PolarHBondContact O-N 3.25Å; H172-F174 VanDerWaalsContact O-N 3.13Å
175	C	59	Low	49.2	Very low	12 Å²	12	50.7 Å²	50.7	8%	0.081	27%	0.267	C	S	.	.	S	Bend	trans	-84.8	142.5	-171.7	-60.1	0	0	0	0	113.5	C137 D170 Q173 K177	C137-C175 WeakPolarHBondContact CA-SG 3.15Å; C137-C175 HydrophobicContact CB-CB 3.79Å; C137-C175 WeakPolarHBondContact CB-SG 3.32Å; C137-C175 WeakPolarHBondContact SG-CA 3.34Å; C137-C175 WeakPolarHBondContact SG-CB 3.37Å; C137-C175 CovalentContact SG-SG 2.03Å; C137-C175 PolarHBondContact SG-SG 3.04Å; D170-C175 HydrophobicContact CB-CB 4.4Å; D170-C175 WeakPolarHBondContact OD2-CA 2.93Å; D170-C175 WeakPolarHBondContact OD2-CB 3.43Å; D170-C175 PolarHBondContact OD2-N 3.36Å; Q173-C175 VanDerWaalsContact C-N 3.26Å; C175-K177 PolarHBondContact O-N 3.27Å; C175-K177 VanDerWaalsContact O-N 3.14Å
176	P	50.7	Low	49.7	Very low	32 Å²	32	52.7 Å²	52.7	21%	0.208	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-51.2	122.7	167.6	-5.6	6.6	0	0	0	110.7	S26 Q228 F230	S26-P176 WeakPolarHBondContact OG-CG 3.3Å; P176-Q228 VanDerWaalsContact C-OE1 3.26Å; P176-F230 HydrophobicContact CB-CE2 3.79Å; P176-F230 HydrophobicContact CB-CZ 4.16Å; P176-F230 HydrophobicContact CG-CE2 4.03Å; P176-F230 HydrophobicContact CG-CZ 4.42Å
177	K	51.3	Low	50	Low	23 Å²	23	51.5 Å²	51.5	10%	0.1	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-97	139.6	168.2	-68.4	174.3	-173.6	165.2	0	108.1	M40 Q173 C175 C179 Q228	M40-K177 WeakPolarHBondContact O-CA 3.38Å; M40-K177 VanDerWaalsContact O-CB 3.29Å; M40-K177 WeakPolarHBondContact O-CB 3.5Å; Q173-K177 VanDerWaalsContact CD-NZ 3.26Å; C175-K177 PolarHBondContact O-N 3.27Å; C175-K177 VanDerWaalsContact O-N 3.14Å; K177-C179 PolarHBondContact O-N 3.31Å; K177-Q228 PolarHBondContact O-OE1 3.28Å
178	A	47.1	Very low	50.3	Low	15 Å²	15	53.9 Å²	53.9	12%	0.124	30%	0.297	C	S	.	.			trans	-55.9	109.8	174.6	0	0	0	0	0	110.3	I28 M40 R41 A180	I28-A178 HydrophobicContact CB-CB 4.43Å; I28-A178 HydrophobicContact CD1-CB 3.25Å; I28-A178 HydrophobicContact CG1-CB 3.5Å; I28-A178 VanDerWaalsContact CG1-CB 3.5Å; I28-A178 HydrophobicContact CG2-CB 4.09Å; M40-A178 PolarHBondContact O-N 3.18Å; M40-A178 VanDerWaalsContact O-N 3.15Å; R41-A178 HydrophobicContact CB-CB 4.23Å; R41-A178 HydrophobicContact CG-CB 3.42Å; R41-A178 VanDerWaalsContact CG-CB 3.42Å; A178-A180 PolarHBondContact O-N 3.39Å
179	C	48.1	Very low	50.7	Low	11 Å²	11	52.4 Å²	52.4	7%	0.074	30%	0.304	C	S	.	.			trans	-66.4	91.6	163.5	-56.7	0	0	0	0	104.9	K177 C216 N226 Q228	K177-C179 PolarHBondContact O-N 3.31Å; C179-C216 HydrophobicContact CB-CB 3.76Å; C179-C216 WeakPolarHBondContact CB-SG 3.36Å; C179-C216 VanDerWaalsContact SG-CA 3.59Å; C179-C216 WeakPolarHBondContact SG-CB 3.47Å; C179-C216 CovalentContact SG-SG 2.03Å; C179-C216 PolarHBondContact SG-SG 3.49Å; C179-N226 HydrophobicContact CB-CB 3.27Å; C179-N226 WeakPolarHBondContact O-CB 2.91Å; C179-N226 VanDerWaalsContact O-CG 3.27Å; C179-N226 PolarHBondContact O-ND2 3.2Å; C179-Q228 VanDerWaalsContact SG-CB 3.55Å
180	A	42.4	Very low	51.1	Low	28 Å²	28	53.9 Å²	53.9	23%	0.231	31%	0.308	C	S	.	.			trans	-97.8	147.4	-178.2	0	0	0	0	0	110	R41 A178 R182	R41-A180 HydrophobicContact CG-CB 4.04Å; A178-A180 PolarHBondContact O-N 3.39Å; A180-R182 PolarHBondContact O-N 2.86Å
181	Y	40.8	Very low	51.2	Low	143 Å²	143	55.7 Å²	55.7	56%	0.561	32%	0.317	S	S	*	.			trans	-52.8	134.2	161.3	-135.4	-92.4	0	0	0	107.6	G183 E218	Y181-G183 PolarHBondContact O-N 2.92Å; Y181-E218 WeakPolarHBondContact CE2-OE1 3.33Å
182	R	43.4	Very low	51.5	Low	114 Å²	114	57.1 Å²	57.1	43%	0.43	32%	0.32	S	S	.	.	S	Bend	trans	-69.3	8.6	-175.1	-61	-178.3	179.1	158.3	12.8	113.5	A180 N196	A180-R182 PolarHBondContact O-N 2.86Å; R182-N196 WeakPolarHBondContact CD-OD1 3.42Å; R182-N196 PolarHBondContact NE-OD1 3.26Å; R182-N196 VanDerWaalsContact NE-OD1 3.17Å; R182-N196 PolarHBondContact NH1-OD1 2.95Å
183	G	37.1	Very low	51.7	Low	38 Å²	38	60.1 Å²	60.1	39%	0.392	34%	0.34	S	S	.	.			trans	-119.8	138.1	175	0	0	0	0	0	110.5	Y181	Y181-G183 PolarHBondContact O-N 2.92Å
184	G	44.1	Very low	51.6	Low	27 Å²	27	61.5 Å²	61.5	28%	0.278	35%	0.347	S	S	.	.			trans	-179.6	147.2	173.4	0	0	0	0	0	109.9	G186	G184-G186 PolarHBondContact O-N 3.15Å
185	P	48.2	Very low	51.1	Low	126 Å²	126	62.1 Å²	62.1	82%	0.818	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	137.9	175.3	21.8	-29.7	0	0	0	110.1	I34	I34-P185 WeakPolarHBondContact CD1-O 3.41Å
186	G	56.3	Low	50.2	Low	65 Å²	65	64.8 Å²	64.8	67%	0.67	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.7	-9.1	178.2	0	0	0	0	0	116.9	G184	G184-G186 PolarHBondContact O-N 3.15Å
187	F	57.9	Low	49.7	Very low	24 Å²	24	68 Å²	68	11%	0.105	37%	0.372	C	S	.	.			trans	-96	116.3	175.7	-64.4	-66.6	0	0	0	112.4	Y38 H191 K192	Y38-F187 AromaticContact CD2-CD1 3.95Å; Y38-F187 HydrophobicContact CD2-CD1 3.95Å; Y38-F187 AromaticContact CD2-CE1 3.63Å; Y38-F187 HydrophobicContact CD2-CE1 3.63Å; Y38-F187 HydrophobicContact CG-CE1 4.26Å; F187-H191 HydrophobicContact CB-CB 4.09Å; F187-H191 HydrophobicContact CD1-CB 3.9Å; F187-H191 AromaticContact CD1-ND1 3.88Å; F187-H191 HydrophobicContact CG-CB 4.44Å; F187-K192 WeakPolarHBondContact O-CE 3.18Å
188	N	60.7	Low	49.1	Very low	82 Å²	82	69.1 Å²	69.1	44%	0.439	38%	0.376	S	S	.	.			trans	-72.2	171.8	173.8	67.8	26.6	0	0	0	111.6	K190 H191 K192	N188-K190 VanDerWaalsContact C-N 3.27Å; N188-K190 PolarHBondContact O-N 3.49Å; N188-K190 WeakPolarHBondContact OD1-CB 3.48Å; N188-K190 PolarHBondContact OD1-N 2.82Å; N188-K190 VanDerWaalsContact OD1-N 3.17Å; N188-H191 PolarHBondContact O-N 3.38Å; N188-H191 PolarHBondContact OD1-N 2.75Å; N188-H191 PolarHBondContact OD1-ND1 3.42Å; N188-K192 WeakPolarHBondContact O-CG 3.3Å; N188-K192 PolarHBondContact O-N 2.68Å; N188-K192 VanDerWaalsContact O-N 3.1Å
189	V	63.5	Low	48.6	Very low	110 Å²	110	73.2 Å²	73.2	67%	0.667	40%	0.4	S	S	*	.	H	α-helix	trans	-57.6	-39.9	-179.2	178.6	0	0	0	0	111.7	H191 K192 T193	V189-H191 PolarHBondContact O-N 2.9Å; V189-K192 WeakPolarHBondContact O-CB 3.22Å; V189-K192 PolarHBondContact O-N 2.69Å; V189-K192 VanDerWaalsContact O-N 3.15Å; V189-T193 PolarHBondContact O-N 3.27Å; V189-T193 PolarHBondContact O-OG1 2.87Å
190	K	61.5	Low	48	Very low	140 Å²	140	75.3 Å²	75.3	61%	0.609	41%	0.414	S	S	*	.	H	α-helix	trans	-59.5	-47	178	-173.5	-179	176.8	-177	0	111.8	N188 K192 T193 E194	N188-K190 VanDerWaalsContact C-N 3.27Å; N188-K190 PolarHBondContact O-N 3.49Å; N188-K190 WeakPolarHBondContact OD1-CB 3.48Å; N188-K190 PolarHBondContact OD1-N 2.82Å; N188-K190 VanDerWaalsContact OD1-N 3.17Å; K190-K192 VanDerWaalsContact C-N 3.31Å; K190-K192 PolarHBondContact O-N 3.17Å; K190-T193 PolarHBondContact O-N 3.49Å; K190-E194 WeakPolarHBondContact CE-OE1 3.46Å; K190-E194 PolarHBondContact O-N 3.1Å
191	H	56.9	Low	47.7	Very low	52 Å²	52	75.8 Å²	75.8	24%	0.241	41%	0.413	C	S	.	.	H	α-helix	trans	-59.5	-41.6	175.3	-63.9	153.4	0	0	0	111.5	Y38 F187 N188 V189 L195	Y38-H191 HydrophobicContact CD2-CB 4.2Å; Y38-H191 HydrophobicContact CE2-CB 3.59Å; Y38-H191 AromaticContact CE2-CD2 3.51Å; Y38-H191 AromaticContact CE2-CG 3.64Å; Y38-H191 AromaticContact CZ-CD2 3.48Å; Y38-H191 VanDerWaalsContact CZ-CD2 3.48Å; F187-H191 HydrophobicContact CB-CB 4.09Å; F187-H191 HydrophobicContact CD1-CB 3.9Å; F187-H191 AromaticContact CD1-ND1 3.88Å; F187-H191 HydrophobicContact CG-CB 4.44Å; N188-H191 PolarHBondContact O-N 3.38Å; N188-H191 PolarHBondContact OD1-N 2.75Å; N188-H191 PolarHBondContact OD1-ND1 3.42Å; V189-H191 PolarHBondContact O-N 2.9Å; H191-L195 WeakPolarHBondContact O-CD1 3.13Å; H191-L195 VanDerWaalsContact O-CG 3.23Å; H191-L195 WeakPolarHBondContact O-CG 3.02Å; H191-L195 PolarHBondContact O-N 3.4Å; H191-L195 VanDerWaalsContact O-N 3.12Å
192	K	55.9	Low	47.4	Very low	88 Å²	88	73.2 Å²	73.2	38%	0.383	42%	0.415	S	S	.	.	H	α-helix	trans	-64.8	-39.3	177.3	-66	178.1	-177.7	178.3	0	112.4	F187 N188 V189 K190 N196	F187-K192 WeakPolarHBondContact O-CE 3.18Å; N188-K192 WeakPolarHBondContact O-CG 3.3Å; N188-K192 PolarHBondContact O-N 2.68Å; N188-K192 VanDerWaalsContact O-N 3.1Å; V189-K192 WeakPolarHBondContact O-CB 3.22Å; V189-K192 PolarHBondContact O-N 2.69Å; V189-K192 VanDerWaalsContact O-N 3.15Å; K190-K192 VanDerWaalsContact C-N 3.31Å; K190-K192 PolarHBondContact O-N 3.17Å; K192-N196 PolarHBondContact O-N 3.11Å
193	T	53.5	Low	46.8	Very low	87 Å²	87	74 Å²	74	53%	0.534	43%	0.428	S	S	.	.	H	α-helix	trans	-70	-41.5	178.2	-51.3	0	0	0	0	112	V189 K190 L195 N196	V189-T193 PolarHBondContact O-N 3.27Å; V189-T193 PolarHBondContact O-OG1 2.87Å; K190-T193 PolarHBondContact O-N 3.49Å; T193-L195 VanDerWaalsContact C-N 3.31Å; T193-L195 PolarHBondContact O-N 3.35Å; T193-N196 WeakPolarHBondContact O-CB 3.33Å; T193-N196 PolarHBondContact O-N 2.94Å; T193-N196 VanDerWaalsContact O-N 3.11Å
194	E	49.5	Very low	46.8	Very low	59 Å²	59	75.1 Å²	75.1	28%	0.276	42%	0.422	S	S	.	.	H	α-helix	trans	-65.2	-34.8	176.9	-73.4	-179.7	-161.4	0	0	112.1	Y38 K190 N196 R197	Y38-E194 PolarHBondContact OH-OE2 3.23Å; K190-E194 WeakPolarHBondContact CE-OE1 3.46Å; K190-E194 PolarHBondContact O-N 3.1Å; E194-N196 PolarHBondContact O-N 3.48Å; E194-R197 PolarHBondContact O-N 3.28Å
195	L	45.7	Very low	46.4	Very low	28 Å²	28	77.3 Å²	77.3	15%	0.147	43%	0.431	C	S	.	.	H	α-helix	trans	-62.1	-25.1	172.9	-75.3	166.2	0	0	0	113.2	A42 H191 T193 R197	A42-L195 HydrophobicContact CB-CD2 3.76Å; A42-L195 HydrophobicContact CB-CG 4.48Å; H191-L195 WeakPolarHBondContact O-CD1 3.13Å; H191-L195 VanDerWaalsContact O-CG 3.23Å; H191-L195 WeakPolarHBondContact O-CG 3.02Å; H191-L195 PolarHBondContact O-N 3.4Å; H191-L195 VanDerWaalsContact O-N 3.12Å; T193-L195 VanDerWaalsContact C-N 3.31Å; T193-L195 PolarHBondContact O-N 3.35Å; L195-R197 VanDerWaalsContact C-N 3.29Å; L195-R197 PolarHBondContact O-N 3.49Å
196	N	39.7	Very low	45.8	Very low	68 Å²	68	77.8 Å²	77.8	36%	0.364	42%	0.42	S	S	.	.	G	3₁₀ helix	trans	-74.2	-13	178.3	-73.1	-29.6	0	0	0	113.8	R182 K192 T193 E194 Y198 T199	R182-N196 WeakPolarHBondContact CD-OD1 3.42Å; R182-N196 PolarHBondContact NE-OD1 3.26Å; R182-N196 VanDerWaalsContact NE-OD1 3.17Å; R182-N196 PolarHBondContact NH1-OD1 2.95Å; K192-N196 PolarHBondContact O-N 3.11Å; T193-N196 WeakPolarHBondContact O-CB 3.33Å; T193-N196 PolarHBondContact O-N 2.94Å; T193-N196 VanDerWaalsContact O-N 3.11Å; E194-N196 PolarHBondContact O-N 3.48Å; N196-Y198 PolarHBondContact O-N 3.42Å; N196-T199 PolarHBondContact O-N 3.13Å; N196-T199 PolarHBondContact O-OG1 3.32Å
197	R	39.5	Very low	44.9	Very low	101 Å²	101	80.3 Å²	80.3	38%	0.381	41%	0.414	S	S	.	.	G	3₁₀ helix	trans	-64.7	-13.1	-175.6	93.3	-178.3	-147.1	-155.2	7.5	114.2	Y44 E194 L195	Y44-R197 PolarHBondContact O-NH1 3.11Å; E194-R197 PolarHBondContact O-N 3.28Å; L195-R197 VanDerWaalsContact C-N 3.29Å; L195-R197 PolarHBondContact O-N 3.49Å
198	Y	38.7	Very low	43.9	Very low	46 Å²	46	82.4 Å²	82.4	18%	0.18	42%	0.424	C	S	.	.	G	3₁₀ helix	trans	-113.7	13.4	-170.1	-65.9	-59.5	0	0	0	113.1	A42 N196 S200 L201	A42-Y198 VanDerWaalsContact O-CE2 3.24Å; A42-Y198 WeakPolarHBondContact O-CE2 3Å; A42-Y198 PolarHBondContact O-OH 3.24Å; N196-Y198 PolarHBondContact O-N 3.42Å; Y198-S200 PolarHBondContact O-N 2.98Å; Y198-S200 VanDerWaalsContact O-N 3.07Å; Y198-L201 HydrophobicContact CD1-CD2 3.36Å; Y198-L201 HydrophobicContact CD1-CG 4.09Å; Y198-L201 HydrophobicContact CE1-CD2 4.1Å; Y198-L201 HydrophobicContact CG-CD2 3.8Å; Y198-L201 HydrophobicContact CG-CG 4.2Å; Y198-L201 VanDerWaalsContact O-CG 3.27Å; Y198-L201 WeakPolarHBondContact O-CG 3.32Å; Y198-L201 PolarHBondContact O-N 2.98Å
199	T	38.3	Very low	42.9	Very low	100 Å²	100	81.8 Å²	81.8	61%	0.613	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	-27.4	168.6	36	0	0	0	0	112.7	N196	N196-T199 PolarHBondContact O-N 3.13Å; N196-T199 PolarHBondContact O-OG1 3.32Å
200	S	35.3	Very low	41.9	Very low	55 Å²	55	78 Å²	78	39%	0.385	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.7	57.9	174.9	63.7	0	0	0	0	111.1	Y198 C202 N203	Y198-S200 PolarHBondContact O-N 2.98Å; Y198-S200 VanDerWaalsContact O-N 3.07Å; S200-C202 PolarHBondContact O-N 3.23Å; S200-N203 WeakPolarHBondContact O-CB 3.35Å; S200-N203 PolarHBondContact O-N 2.92Å; S200-N203 PolarHBondContact OG-ND2 2.99Å
201	L	36.2	Very low	41.1	Very low	39 Å²	39	72.4 Å²	72.4	20%	0.204	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-17.1	177.9	-86.3	153.8	0	0	0	114.6	Y198 N203 F204	Y198-L201 HydrophobicContact CD1-CD2 3.36Å; Y198-L201 HydrophobicContact CD1-CG 4.09Å; Y198-L201 HydrophobicContact CE1-CD2 4.1Å; Y198-L201 HydrophobicContact CG-CD2 3.8Å; Y198-L201 HydrophobicContact CG-CG 4.2Å; Y198-L201 VanDerWaalsContact O-CG 3.27Å; Y198-L201 WeakPolarHBondContact O-CG 3.32Å; Y198-L201 PolarHBondContact O-N 2.98Å; L201-N203 VanDerWaalsContact C-N 3.27Å; L201-N203 PolarHBondContact O-N 3.44Å; L201-F204 WeakPolarHBondContact O-CE2 3.45Å
202	C	32.8	Very low	40.7	Very low	89 Å²	89	70.4 Å²	70.4	60%	0.601	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-3.5	175.2	-55.7	0	0	0	0	114.3	S200 F204	S200-C202 PolarHBondContact O-N 3.23Å; C202-F204 PolarHBondContact O-N 2.86Å
203	N	32.2	Very low	40.3	Very low	130 Å²	130	67.1 Å²	67.1	70%	0.695	35%	0.354	S	S	*	.			trans	-83.5	61.8	176.1	-80.3	-12.3	0	0	0	111.6	S200 L201	S200-N203 WeakPolarHBondContact O-CB 3.35Å; S200-N203 PolarHBondContact O-N 2.92Å; S200-N203 PolarHBondContact OG-ND2 2.99Å; L201-N203 VanDerWaalsContact C-N 3.27Å; L201-N203 PolarHBondContact O-N 3.44Å
204	F	37	Very low	40.2	Very low	62 Å²	62	63.6 Å²	63.6	27%	0.272	33%	0.331	S	S	.	.			trans	-68.6	145	160.3	-70.9	-87.2	0	0	0	108.8	L201 C202 K206 V211 S212	L201-F204 WeakPolarHBondContact O-CE2 3.45Å; C202-F204 PolarHBondContact O-N 2.86Å; F204-K206 PolarHBondContact O-N 3.48Å; F204-V211 HydrophobicContact CB-CG1 3.72Å; F204-V211 HydrophobicContact CB-CG2 4.42Å; F204-V211 HydrophobicContact CD1-CG1 4.4Å; F204-V211 HydrophobicContact CD2-CG1 3.33Å; F204-V211 HydrophobicContact CE2-CG1 4.03Å; F204-V211 HydrophobicContact CG-CG1 3.55Å; F204-S212 WeakPolarHBondContact CE2-O 3.33Å; F204-S212 WeakPolarHBondContact CZ-O 3.24Å
205	P	35.5	Very low	40.3	Very low	73 Å²	73	67.7 Å²	67.7	47%	0.474	34%	0.344	S	S	.	.			trans	-58	132.4	-179.9	-20.4	31.3	0	0	0	109.7	H207 F208	P205-H207 PolarHBondContact O-N 2.97Å; P205-F208 HydrophobicContact CB-CD2 3.84Å; P205-F208 HydrophobicContact CB-CE2 3.98Å; P205-F208 HydrophobicContact CG-CD2 3.92Å; P205-F208 HydrophobicContact CG-CE2 3.75Å; P205-F208 PolarHBondContact O-N 3.05Å; P205-F208 VanDerWaalsContact O-N 3.12Å
206	K	36.2	Very low	40.6	Very low	136 Å²	136	69 Å²	69	59%	0.591	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.4	-17.5	-175.3	-120.5	178	176.4	178.6	0	114.8	F204	F204-K206 PolarHBondContact O-N 3.48Å
207	H	36.7	Very low	41.2	Very low	117 Å²	117	69 Å²	69	54%	0.542	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-0.8	-170.5	-49.9	-45.8	0	0	0	114.7	P205 I273	P205-H207 PolarHBondContact O-N 2.97Å; H207-I273 WeakPolarHBondContact CE1-CD1 3.05Å; H207-I273 WeakPolarHBondContact ND1-CD1 3.45Å
208	F	36.1	Very low	41.9	Very low	68 Å²	68	69.5 Å²	69.5	30%	0.298	36%	0.361	S	S	.	.			trans	-78.9	129.8	174.9	-82.3	-96	0	0	0	111	P205 S235	P205-F208 HydrophobicContact CB-CD2 3.84Å; P205-F208 HydrophobicContact CB-CE2 3.98Å; P205-F208 HydrophobicContact CG-CD2 3.92Å; P205-F208 HydrophobicContact CG-CE2 3.75Å; P205-F208 PolarHBondContact O-N 3.05Å; P205-F208 VanDerWaalsContact O-N 3.12Å; F208-S235 WeakPolarHBondContact O-CB 3.39Å; F208-S235 PolarHBondContact O-OG 3.3Å
209	M	40.8	Very low	42.3	Very low	70 Å²	70	71 Å²	71	35%	0.345	37%	0.37	S	S	.	.	S	Bend	trans	-64.8	-46.4	-176.4	-66.9	173.4	68.4	0	0	111.3	F238 C247	M209-F238 HydrophobicContact CE-CD1 4.49Å; M209-F238 HydrophobicContact CE-CE1 4.24Å; M209-F238 HydrophobicContact CG-CD1 4.27Å; M209-F238 HydrophobicContact CG-CE1 3.82Å; M209-F238 HydrophobicContact CG-CZ 4.35Å; M209-C247 HydrophobicContact CB-CB 4.32Å; M209-C247 WeakPolarHBondContact CE-O 3.46Å; M209-C247 WeakPolarHBondContact O-CB 3.27Å; M209-C247 PolarHBondContact O-SG 3.11Å
210	T	43	Very low	42.6	Very low	31 Å²	31	72.6 Å²	72.6	19%	0.19	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	123.8	-179.8	-40.2	0	0	0	0	109.4	W240	T210-W240 HydrophobicContact CG2-CE3 4.48Å; T210-W240 HydrophobicContact CG2-CH2 4.49Å; T210-W240 HydrophobicContact CG2-CZ3 3.72Å
211	V	43.3	Very low	42.8	Very low	22 Å²	22	77.9 Å²	77.9	13%	0.133	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	121.8	-179.2	-174.8	0	0	0	0	108.7	F204 S213 C232 D233	F204-V211 HydrophobicContact CB-CG1 3.72Å; F204-V211 HydrophobicContact CB-CG2 4.42Å; F204-V211 HydrophobicContact CD1-CG1 4.4Å; F204-V211 HydrophobicContact CD2-CG1 3.33Å; F204-V211 HydrophobicContact CE2-CG1 4.03Å; F204-V211 HydrophobicContact CG-CG1 3.55Å; V211-S213 PolarHBondContact O-N 3.49Å; V211-C232 WeakPolarHBondContact O-CA 3.37Å; V211-D233 PolarHBondContact N-O 3.23Å; V211-D233 PolarHBondContact O-N 3.01Å
212	S	48.8	Very low	42.8	Very low	9 Å²	9	79.5 Å²	79.5	6%	0.063	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	98.2	162.4	-176.9	0	0	0	0	106.8	F204 K231	F204-S212 WeakPolarHBondContact CE2-O 3.33Å; F204-S212 WeakPolarHBondContact CZ-O 3.24Å; S212-K231 CarbonylContact C-O 3.59Å; S212-K231 VanDerWaalsContact CA-O 3.32Å; S212-K231 WeakPolarHBondContact CA-O 3.06Å
213	S	48.4	Very low	42.7	Very low	20 Å²	20	78.7 Å²	78.7	14%	0.14	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	137.6	176.7	59.9	0	0	0	0	109.9	V211 F230 K231	V211-S213 PolarHBondContact O-N 3.49Å; S213-F230 CarbonylContact O-C 3.6Å; S213-F230 WeakPolarHBondContact O-CA 3.5Å; S213-K231 PolarHBondContact N-O 3.44Å; S213-K231 PolarHBondContact O-N 2.92Å; S213-K231 WeakPolarHBondContact OG-CB 3.35Å; S213-K231 PolarHBondContact OG-O 3.48Å
214	Q	50	Low	43	Very low	12 Å²	12	77.4 Å²	77.4	6%	0.056	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	129.6	177	-61	-175.9	6.4	0	0	108.5	Q173 S229 F230	Q173-Q214 PolarHBondContact O-NE2 3.47Å; Q173-Q214 VanDerWaalsContact O-NE2 3.11Å; Q214-S229 CarbonylContact C-O 3.52Å; Q214-S229 WeakPolarHBondContact CA-O 3.49Å; Q214-F230 HydrophobicContact CG-CD1 3.7Å; Q214-F230 HydrophobicContact CG-CE1 3.45Å; Q214-F230 VanDerWaalsContact CG-CE1 3.45Å; Q214-F230 HydrophobicContact CG-CZ 4.01Å
215	R	51.9	Low	43.1	Very low	146 Å²	146	75.4 Å²	75.4	55%	0.551	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.3	133.3	176.7	-179.2	-180	-177.6	168.9	-0.2	109.6	I217 Q228 S229	R215-I217 HydrophobicContact CG-CG1 4.11Å; R215-Q228 CarbonylContact O-C 3.53Å; R215-Q228 WeakPolarHBondContact O-CA 3.27Å; R215-S229 PolarHBondContact N-O 3.2Å; R215-S229 PolarHBondContact O-N 2.91Å
216	C	53.3	Low	43.6	Very low	56 Å²	56	73 Å²	73	38%	0.378	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	131.8	170.7	-74.6	0	0	0	0	109	C179 L227	C179-C216 HydrophobicContact CB-CB 3.76Å; C179-C216 WeakPolarHBondContact CB-SG 3.36Å; C179-C216 VanDerWaalsContact SG-CA 3.59Å; C179-C216 WeakPolarHBondContact SG-CB 3.47Å; C179-C216 CovalentContact SG-SG 2.03Å; C179-C216 PolarHBondContact SG-SG 3.49Å; C216-L227 CarbonylContact C-O 3.25Å
217	I	52.1	Low	44.1	Very low	68 Å²	68	67.7 Å²	67.7	35%	0.349	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	129.5	174.3	-54.9	177.2	0	0	0	108.4	R215 Q219 N226 L227	R215-I217 HydrophobicContact CG-CG1 4.11Å; I217-Q219 PolarHBondContact O-N 2.88Å; I217-N226 CarbonylContact O-C 3.5Å; I217-N226 WeakPolarHBondContact O-CA 3.45Å; I217-L227 HydrophobicContact CB-CB 4.48Å; I217-L227 PolarHBondContact N-O 3.37Å; I217-L227 PolarHBondContact O-N 3.28Å
218	E	52.8	Low	44.8	Very low	111 Å²	111	62.4 Å²	62.4	52%	0.519	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	124	172.7	-177.2	168.9	-170	0	0	110	Y181 N220 N226	Y181-E218 WeakPolarHBondContact CE2-OE1 3.33Å; E218-N220 PolarHBondContact O-N 2.95Å; E218-N226 VanDerWaalsContact CA-OD1 3.24Å; E218-N226 WeakPolarHBondContact CA-OD1 3.39Å; E218-N226 WeakPolarHBondContact CG-OD1 3.17Å
219	Q	48.8	Very low	45.5	Very low	77 Å²	77	59.3 Å²	59.3	36%	0.36	33%	0.325	S	S	.	.			trans	-86	107.4	172.4	-64.8	-158.9	-40.3	0	0	109	I217 N221 V222 V225 L227	I217-Q219 PolarHBondContact O-N 2.88Å; Q219-N221 PolarHBondContact O-N 3.18Å; Q219-V222 HydrophobicContact CB-CG2 4.44Å; Q219-V222 PolarHBondContact O-N 2.84Å; Q219-V225 WeakPolarHBondContact CB-O 3.23Å; Q219-V225 PolarHBondContact N-O 3.07Å; Q219-L227 HydrophobicContact CG-CB 3.97Å
220	N	44.4	Very low	46	Very low	134 Å²	134	56.4 Å²	56.4	72%	0.717	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	128.8	168.7	-65.4	-20.8	0	0	0	108.7	E218	E218-N220 PolarHBondContact O-N 2.95Å
221	N	39.9	Very low	46.5	Very low	166 Å²	166	57.3 Å²	57.3	89%	0.888	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	90	2	174.6	-48.3	-26.8	0	0	0	118.5	Q219	Q219-N221 PolarHBondContact O-N 3.18Å
222	V	35.1	Very low	47.1	Very low	73 Å²	73	58.4 Å²	58.4	44%	0.442	32%	0.32	S	S	.	.	S	Bend	trans	-119.8	96	169.8	-151.9	0	0	0	0	107.6	Q219 L224 V225	Q219-V222 HydrophobicContact CB-CG2 4.44Å; Q219-V222 PolarHBondContact O-N 2.84Å; V222-L224 PolarHBondContact O-N 3.44Å; V222-V225 HydrophobicContact CB-CB 4.02Å; V222-V225 HydrophobicContact CB-CG2 3.96Å; V222-V225 HydrophobicContact CG1-CB 4.15Å; V222-V225 HydrophobicContact CG1-CG2 3.53Å; V222-V225 PolarHBondContact O-N 2.93Å
223	G	31.4	Very low	47.3	Very low	71 Å²	71	61.1 Å²	61.1	73%	0.732	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-44.3	113.6	179.7	0	0	0	0	0	110.5
224	L	37.1	Very low	47.4	Very low	104 Å²	104	61.7 Å²	61.7	55%	0.545	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	77	4.7	176.5	-50.5	168	0	0	0	118.1	Y30 V222	Y30-L224 HydrophobicContact CE1-CB 3.98Å; Y30-L224 PolarHBondContact OH-O 2.9Å; V222-L224 PolarHBondContact O-N 3.44Å
225	V	39.4	Very low	47.4	Very low	19 Å²	19	61.8 Å²	61.8	12%	0.115	34%	0.339	C	S	.	.			trans	-96.1	105.5	176.4	-169.4	0	0	0	0	109.8	Y30 Q219 V222	Y30-V225 HydrophobicContact CE2-CG2 4.44Å; Y30-V225 WeakPolarHBondContact OH-CG2 3.12Å; Y30-V225 PolarHBondContact OH-N 3.1Å; Q219-V225 WeakPolarHBondContact CB-O 3.23Å; Q219-V225 PolarHBondContact N-O 3.07Å; V222-V225 HydrophobicContact CB-CB 4.02Å; V222-V225 HydrophobicContact CB-CG2 3.96Å; V222-V225 HydrophobicContact CG1-CB 4.15Å; V222-V225 HydrophobicContact CG1-CG2 3.53Å; V222-V225 PolarHBondContact O-N 2.93Å
226	N	46.4	Very low	47.4	Very low	23 Å²	23	62.4 Å²	62.4	12%	0.123	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	135.7	166	-62.7	-38.3	0	0	0	108.8	C179 I217 E218	C179-N226 HydrophobicContact CB-CB 3.27Å; C179-N226 WeakPolarHBondContact O-CB 2.91Å; C179-N226 VanDerWaalsContact O-CG 3.27Å; C179-N226 PolarHBondContact O-ND2 3.2Å; I217-N226 CarbonylContact O-C 3.5Å; I217-N226 WeakPolarHBondContact O-CA 3.45Å; E218-N226 VanDerWaalsContact CA-OD1 3.24Å; E218-N226 WeakPolarHBondContact CA-OD1 3.39Å; E218-N226 WeakPolarHBondContact CG-OD1 3.17Å
227	L	47.1	Very low	47.4	Very low	25 Å²	25	62.2 Å²	62.2	13%	0.131	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	114.6	-178.9	-170.6	98.7	0	0	0	108.8	Y25 C216 I217 Q219	Y25-L227 HydrophobicContact CD1-CD1 3.45Å; Y25-L227 VanDerWaalsContact CD1-CD1 3.45Å; Y25-L227 HydrophobicContact CD1-CD2 3.43Å; Y25-L227 VanDerWaalsContact CD1-CD2 3.43Å; Y25-L227 HydrophobicContact CD1-CG 3.25Å; Y25-L227 HydrophobicContact CD2-CD1 4.44Å; Y25-L227 HydrophobicContact CE1-CD1 3.99Å; Y25-L227 HydrophobicContact CE1-CD2 3.11Å; Y25-L227 HydrophobicContact CE1-CG 3.57Å; Y25-L227 HydrophobicContact CG-CD1 3.67Å; Y25-L227 HydrophobicContact CG-CD2 4.36Å; Y25-L227 HydrophobicContact CG-CG 4.02Å; C216-L227 CarbonylContact C-O 3.25Å; I217-L227 HydrophobicContact CB-CB 4.48Å; I217-L227 PolarHBondContact N-O 3.37Å; I217-L227 PolarHBondContact O-N 3.28Å; Q219-L227 HydrophobicContact CG-CB 3.97Å
228	Q	50.6	Low	47.5	Very low	5 Å²	5	60.8 Å²	60.8	2%	0.023	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	139.7	169.2	-159	-179.8	17.4	0	0	110.1	Y25 P176 K177 C179 R215 F230	Y25-Q228 WeakPolarHBondContact CD1-O 3.3Å; P176-Q228 VanDerWaalsContact C-OE1 3.26Å; K177-Q228 PolarHBondContact O-OE1 3.28Å; C179-Q228 VanDerWaalsContact SG-CB 3.55Å; R215-Q228 CarbonylContact O-C 3.53Å; R215-Q228 WeakPolarHBondContact O-CA 3.27Å; Q228-F230 HydrophobicContact CB-CE2 4.46Å; Q228-F230 HydrophobicContact CG-CE2 3.91Å; Q228-F230 HydrophobicContact CG-CZ 4.42Å
229	S	51.3	Low	47.5	Very low	4 Å²	4	59.3 Å²	59.3	3%	0.028	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	143	179.6	85.6	0	0	0	0	111.1	Y23 F24 Q214 R215	Y23-S229 WeakPolarHBondContact CD1-OG 3.38Å; Y23-S229 VanDerWaalsContact CE1-OG 3.3Å; Y23-S229 WeakPolarHBondContact CE1-OG 3.44Å; F24-S229 WeakPolarHBondContact O-CA 3.42Å; Q214-S229 CarbonylContact C-O 3.52Å; Q214-S229 WeakPolarHBondContact CA-O 3.49Å; R215-S229 PolarHBondContact N-O 3.2Å; R215-S229 PolarHBondContact O-N 2.91Å
230	F	50.4	Low	47.7	Very low	9 Å²	9	60 Å²	60	4%	0.039	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	137.1	-178.6	-69.7	-104.8	0	0	0	111.8	Y23 P176 S213 Q214 Q228	Y23-F230 VanDerWaalsContact CD1-C 3.48Å; Y23-F230 WeakPolarHBondContact CD1-O 3.46Å; P176-F230 HydrophobicContact CB-CE2 3.79Å; P176-F230 HydrophobicContact CB-CZ 4.16Å; P176-F230 HydrophobicContact CG-CE2 4.03Å; P176-F230 HydrophobicContact CG-CZ 4.42Å; S213-F230 CarbonylContact O-C 3.6Å; S213-F230 WeakPolarHBondContact O-CA 3.5Å; Q214-F230 HydrophobicContact CG-CD1 3.7Å; Q214-F230 HydrophobicContact CG-CE1 3.45Å; Q214-F230 VanDerWaalsContact CG-CE1 3.45Å; Q214-F230 HydrophobicContact CG-CZ 4.01Å; Q228-F230 HydrophobicContact CB-CE2 4.46Å; Q228-F230 HydrophobicContact CG-CE2 3.91Å; Q228-F230 HydrophobicContact CG-CZ 4.42Å
231	K	54.7	Low	47.8	Very low	50 Å²	50	57.6 Å²	57.6	22%	0.217	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	151.1	170.9	171.9	172.9	179.7	153	0	111	E22 Y23 S212 S213 D233	E22-K231 IonicContact OE1-NZ 3.95Å; E22-K231 WeakPolarHBondContact OE2-CD 3.32Å; E22-K231 WeakPolarHBondContact OE2-CE 3.12Å; E22-K231 IonicContact OE2-NZ 3.99Å; E22-K231 PolarHBondContact OE2-NZ 3.17Å; Y23-K231 HydrophobicContact CD1-CB 4.2Å; Y23-K231 HydrophobicContact CE1-CB 3.44Å; Y23-K231 VanDerWaalsContact CE1-CB 3.44Å; Y23-K231 HydrophobicContact CE2-CB 4.41Å; Y23-K231 HydrophobicContact CE2-CD 4.23Å; Y23-K231 VanDerWaalsContact OH-CD 3.22Å; Y23-K231 WeakPolarHBondContact OH-CD 3.39Å; S212-K231 CarbonylContact C-O 3.59Å; S212-K231 VanDerWaalsContact CA-O 3.32Å; S212-K231 WeakPolarHBondContact CA-O 3.06Å; S213-K231 PolarHBondContact N-O 3.44Å; S213-K231 PolarHBondContact O-N 2.92Å; S213-K231 WeakPolarHBondContact OG-CB 3.35Å; S213-K231 PolarHBondContact OG-O 3.48Å; K231-D233 VanDerWaalsContact CD-OD2 3.27Å; K231-D233 WeakPolarHBondContact CD-OD2 3.03Å; K231-D233 WeakPolarHBondContact CE-OD1 3.45Å; K231-D233 WeakPolarHBondContact CE-OD2 3.26Å; K231-D233 WeakPolarHBondContact CG-OD2 3.38Å; K231-D233 IonicContact NZ-OD1 2.73Å
232	C	54.8	Low	47.9	Very low	44 Å²	44	56.4 Å²	56.4	30%	0.297	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	109.4	177.1	-67.6	0	0	0	0	109.9	R129 V211	R129-C232 VanDerWaalsContact CD-SG 3.54Å; R129-C232 PolarHBondContact NE-SG 2.79Å; R129-C232 VanDerWaalsContact NE-SG 3.35Å; R129-C232 PolarHBondContact NH1-SG 3.26Å; V211-C232 WeakPolarHBondContact O-CA 3.37Å
233	D	52.7	Low	48.1	Very low	67 Å²	67	60.8 Å²	60.8	36%	0.358	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	161.7	-179.2	-73.3	-41.7	0	0	0	111.7	V211 K231	V211-D233 PolarHBondContact N-O 3.23Å; V211-D233 PolarHBondContact O-N 3.01Å; K231-D233 VanDerWaalsContact CD-OD2 3.27Å; K231-D233 WeakPolarHBondContact CD-OD2 3.03Å; K231-D233 WeakPolarHBondContact CE-OD1 3.45Å; K231-D233 WeakPolarHBondContact CE-OD2 3.26Å; K231-D233 WeakPolarHBondContact CG-OD2 3.38Å; K231-D233 IonicContact NZ-OD1 2.73Å
234	C	52	Low	48.3	Very low	31 Å²	31	59.7 Å²	59.7	21%	0.209	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	147.1	171.9	-61.6	0	0	0	0	111.4	F238 W240 C247	C234-F238 HydrophobicContact CB-CB 3.97Å; C234-F238 WeakPolarHBondContact CB-O 3.01Å; C234-W240 WeakPolarHBondContact SG-CA 2.87Å; C234-W240 WeakPolarHBondContact SG-CB 3.14Å; C234-W240 PolarHBondContact SG-N 3.28Å; C234-C247 WeakPolarHBondContact CA-SG 3.34Å; C234-C247 HydrophobicContact CB-CB 3.72Å; C234-C247 WeakPolarHBondContact CB-SG 3.28Å; C234-C247 VanDerWaalsContact SG-CA 3.54Å; C234-C247 WeakPolarHBondContact SG-CB 3.34Å; C234-C247 CovalentContact SG-SG 2.02Å; C234-C247 PolarHBondContact SG-SG 3.32Å
235	S	50.1	Low	48.6	Very low	14 Å²	14	58.8 Å²	58.8	10%	0.098	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-65.1	158.3	170.8	47.7	0	0	0	0	111.6	F208 G237 F238	F208-S235 WeakPolarHBondContact O-CB 3.39Å; F208-S235 PolarHBondContact O-OG 3.3Å; S235-G237 PolarHBondContact O-N 2.71Å; S235-F238 WeakPolarHBondContact O-CB 3.45Å; S235-F238 PolarHBondContact O-N 3.15Å; S235-F238 VanDerWaalsContact OG-CD2 3.26Å; S235-F238 WeakPolarHBondContact OG-CD2 3.02Å
236	N	51.7	Low	48.9	Very low	160 Å²	160	58.8 Å²	58.8	86%	0.856	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	128	-177	-81	-6.6	0	0	0	112.3	F238	N236-F238 VanDerWaalsContact C-N 3.34Å
237	G	52.6	Low	48.9	Very low	52 Å²	52	57.8 Å²	57.8	54%	0.536	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.5	-19.1	-177.9	0	0	0	0	0	114.2	S235 L249 P250	S235-G237 PolarHBondContact O-N 2.71Å; G237-L249 WeakPolarHBondContact O-CD1 2.97Å; G237-P250 WeakPolarHBondContact O-CD 3.4Å
238	F	53.5	Low	48.8	Very low	38 Å²	38	60.2 Å²	60.2	17%	0.167	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-91	141	176.4	-64.9	-103.3	0	0	0	110.7	M209 C234 S235 N236 C247 Y248 L249	M209-F238 HydrophobicContact CE-CD1 4.49Å; M209-F238 HydrophobicContact CE-CE1 4.24Å; M209-F238 HydrophobicContact CG-CD1 4.27Å; M209-F238 HydrophobicContact CG-CE1 3.82Å; M209-F238 HydrophobicContact CG-CZ 4.35Å; C234-F238 HydrophobicContact CB-CB 3.97Å; C234-F238 WeakPolarHBondContact CB-O 3.01Å; S235-F238 WeakPolarHBondContact O-CB 3.45Å; S235-F238 PolarHBondContact O-N 3.15Å; S235-F238 VanDerWaalsContact OG-CD2 3.26Å; S235-F238 WeakPolarHBondContact OG-CD2 3.02Å; N236-F238 VanDerWaalsContact C-N 3.34Å; F238-C247 HydrophobicContact CB-CB 4.11Å; F238-Y248 CarbonylContact C-O 3.55Å; F238-Y248 WeakPolarHBondContact CA-O 3.43Å; F238-L249 HydrophobicContact CD1-CB 3.91Å; F238-L249 HydrophobicContact CD1-CD1 4.47Å; F238-L249 HydrophobicContact CD2-CD1 4.29Å; F238-L249 HydrophobicContact CE1-CB 3.72Å; F238-L249 HydrophobicContact CE1-CD1 4.38Å; F238-L249 HydrophobicContact CE2-CD1 4.19Å; F238-L249 HydrophobicContact CG-CD1 4.41Å; F238-L249 HydrophobicContact CZ-CB 4.27Å; F238-L249 HydrophobicContact CZ-CD1 4.23Å
239	I	52.6	Low	48.7	Very low	80 Å²	80	63.9 Å²	63.9	41%	0.41	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	135.8	177.7	-60.2	176.7	0	0	0	108.5	K241 C247 Y248 P250	I239-K241 PolarHBondContact O-N 2.9Å; I239-C247 CarbonylContact O-C 3.54Å; I239-C247 WeakPolarHBondContact O-CA 3.31Å; I239-Y248 HydrophobicContact CB-CD1 4.11Å; I239-Y248 HydrophobicContact CB-CE1 3.47Å; I239-Y248 VanDerWaalsContact CB-CE1 3.47Å; I239-Y248 HydrophobicContact CG2-CE1 3.61Å; I239-Y248 PolarHBondContact N-O 3.23Å; I239-Y248 WeakPolarHBondContact O-CD1 3.26Å; I239-Y248 WeakPolarHBondContact O-CE1 3.2Å; I239-Y248 PolarHBondContact O-N 3.09Å; I239-P250 HydrophobicContact CD1-CB 4.12Å; I239-P250 HydrophobicContact CD1-CG 3.64Å; I239-P250 HydrophobicContact CG1-CG 4.12Å
240	W	54.5	Low	48.5	Very low	91 Å²	91	66.3 Å²	66.3	35%	0.345	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	122.2	172.2	-179	-119.1	0	0	0	110.5	T210 C234 K245 C247	T210-W240 HydrophobicContact CG2-CE3 4.48Å; T210-W240 HydrophobicContact CG2-CH2 4.49Å; T210-W240 HydrophobicContact CG2-CZ3 3.72Å; C234-W240 WeakPolarHBondContact SG-CA 2.87Å; C234-W240 WeakPolarHBondContact SG-CB 3.14Å; C234-W240 PolarHBondContact SG-N 3.28Å; W240-K245 VanDerWaalsContact CH2-CA 3.48Å; W240-K245 HydrophobicContact CH2-CB 4.11Å; W240-K245 VanDerWaalsContact CH2-O 3.26Å; W240-K245 WeakPolarHBondContact CH2-O 3.33Å; W240-K245 HydrophobicContact CZ2-CB 4.33Å; W240-K245 WeakPolarHBondContact CZ3-O 3.4Å; W240-C247 VanDerWaalsContact CE3-SG 3.59Å
241	K	46.2	Very low	48.1	Very low	83 Å²	83	71 Å²	71	36%	0.361	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	100.5	166.6	-78.9	-103.7	177.5	178	0	109	I239 Q243 L244 K245 A246 Y248	I239-K241 PolarHBondContact O-N 2.9Å; K241-Q243 PolarHBondContact O-N 3.06Å; K241-L244 HydrophobicContact CB-CB 3.83Å; K241-L244 HydrophobicContact CB-CD1 4.1Å; K241-L244 HydrophobicContact CB-CG 4.15Å; K241-L244 HydrophobicContact CD-CD1 4.38Å; K241-L244 HydrophobicContact CG-CD1 4.26Å; K241-L244 CarbonylContact O-C 3.5Å; K241-L244 PolarHBondContact O-N 3.26Å; K241-K245 PolarHBondContact O-N 3.29Å; K241-A246 PolarHBondContact N-O 2.02Å; K241-Y248 HydrophobicContact CB-CD1 4.16Å; K241-Y248 HydrophobicContact CB-CE1 4.37Å; K241-Y248 HydrophobicContact CD-CD1 4.16Å; K241-Y248 HydrophobicContact CD-CE1 3.8Å; K241-Y248 VanDerWaalsContact CE-OH 3.31Å; K241-Y248 WeakPolarHBondContact CE-OH 3.24Å; K241-Y248 HydrophobicContact CG-CD1 3.15Å; K241-Y248 HydrophobicContact CG-CE1 3.13Å; K241-Y248 HydrophobicContact CG-CG 4.16Å
242	E	42.4	Very low	47.5	Very low	141 Å²	141	70 Å²	70	66%	0.659	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	-40.6	177.3	-164.7	177.6	179.2	0	0	112.6	L244 K245	E242-L244 VanDerWaalsContact C-N 3.34Å; E242-L244 PolarHBondContact O-N 3.02Å; E242-K245 PolarHBondContact O-N 2.69Å
243	Q	38.1	Very low	46.7	Very low	166 Å²	166	76.7 Å²	76.7	78%	0.776	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-33.1	177.2	-67.6	-175.7	-8.3	0	0	114.1	K241	K241-Q243 PolarHBondContact O-N 3.06Å
244	L	36.9	Very low	45.8	Very low	47 Å²	47	75.6 Å²	75.6	25%	0.246	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-13.9	-177.8	-69.8	178	0	0	0	112.6	P59 K65 K241 E242 A246	P59-L244 HydrophobicContact CB-CD2 4.04Å; P59-L244 HydrophobicContact CG-CB 4.15Å; P59-L244 HydrophobicContact CG-CD2 3.74Å; P59-L244 HydrophobicContact CG-CG 4.4Å; K65-L244 HydrophobicContact CD-CD2 4.09Å; K241-L244 HydrophobicContact CB-CB 3.83Å; K241-L244 HydrophobicContact CB-CD1 4.1Å; K241-L244 HydrophobicContact CB-CG 4.15Å; K241-L244 HydrophobicContact CD-CD1 4.38Å; K241-L244 HydrophobicContact CG-CD1 4.26Å; K241-L244 CarbonylContact O-C 3.5Å; K241-L244 PolarHBondContact O-N 3.26Å; E242-L244 VanDerWaalsContact C-N 3.34Å; E242-L244 PolarHBondContact O-N 3.02Å; L244-A246 HydrophobicContact CB-CB 4.3Å; L244-A246 PolarHBondContact O-N 3.12Å
245	K	42.9	Very low	45.3	Very low	85 Å²	85	77 Å²	77	37%	0.37	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.2	37.1	-171	-57.6	-179.8	173.9	-179.1	0	112.1	R125 T128 W240 K241 E242	R125-K245 WeakPolarHBondContact O-CE 3.22Å; T128-K245 VanDerWaalsContact CB-NZ 3.31Å; T128-K245 PolarHBondContact OG1-NZ 2.76Å; W240-K245 VanDerWaalsContact CH2-CA 3.48Å; W240-K245 HydrophobicContact CH2-CB 4.11Å; W240-K245 VanDerWaalsContact CH2-O 3.26Å; W240-K245 WeakPolarHBondContact CH2-O 3.33Å; W240-K245 HydrophobicContact CZ2-CB 4.33Å; W240-K245 WeakPolarHBondContact CZ3-O 3.4Å; K241-K245 PolarHBondContact O-N 3.29Å; E242-K245 PolarHBondContact O-N 2.69Å
246	A	44.5	Very low	44.7	Very low	20 Å²	20	83.5 Å²	83.5	17%	0.165	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	147.1	-177.6	0	0	0	0	0	110.7	K241 L244	K241-A246 PolarHBondContact N-O 2.02Å; L244-A246 HydrophobicContact CB-CB 4.3Å; L244-A246 PolarHBondContact O-N 3.12Å
247	C	47.3	Very low	43.9	Very low	2 Å²	2	78.5 Å²	78.5	1%	0.014	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	135.1	170.3	-63.7	0	0	0	0	110.4	M209 C234 F238 I239 W240	M209-C247 HydrophobicContact CB-CB 4.32Å; M209-C247 WeakPolarHBondContact CE-O 3.46Å; M209-C247 WeakPolarHBondContact O-CB 3.27Å; M209-C247 PolarHBondContact O-SG 3.11Å; C234-C247 WeakPolarHBondContact CA-SG 3.34Å; C234-C247 HydrophobicContact CB-CB 3.72Å; C234-C247 WeakPolarHBondContact CB-SG 3.28Å; C234-C247 VanDerWaalsContact SG-CA 3.54Å; C234-C247 WeakPolarHBondContact SG-CB 3.34Å; C234-C247 CovalentContact SG-SG 2.02Å; C234-C247 PolarHBondContact SG-SG 3.32Å; F238-C247 HydrophobicContact CB-CB 4.11Å; I239-C247 CarbonylContact O-C 3.54Å; I239-C247 WeakPolarHBondContact O-CA 3.31Å; W240-C247 VanDerWaalsContact CE3-SG 3.59Å
248	Y	45.8	Very low	43.2	Very low	75 Å²	75	83 Å²	83	29%	0.294	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	149.7	179.6	79.1	-74.8	0	0	0	111.3	F238 I239 K241 P250	F238-Y248 CarbonylContact C-O 3.55Å; F238-Y248 WeakPolarHBondContact CA-O 3.43Å; I239-Y248 HydrophobicContact CB-CD1 4.11Å; I239-Y248 HydrophobicContact CB-CE1 3.47Å; I239-Y248 VanDerWaalsContact CB-CE1 3.47Å; I239-Y248 HydrophobicContact CG2-CE1 3.61Å; I239-Y248 PolarHBondContact N-O 3.23Å; I239-Y248 WeakPolarHBondContact O-CD1 3.26Å; I239-Y248 WeakPolarHBondContact O-CE1 3.2Å; I239-Y248 PolarHBondContact O-N 3.09Å; K241-Y248 HydrophobicContact CB-CD1 4.16Å; K241-Y248 HydrophobicContact CB-CE1 4.37Å; K241-Y248 HydrophobicContact CD-CD1 4.16Å; K241-Y248 HydrophobicContact CD-CE1 3.8Å; K241-Y248 VanDerWaalsContact CE-OH 3.31Å; K241-Y248 WeakPolarHBondContact CE-OH 3.24Å; K241-Y248 HydrophobicContact CG-CD1 3.15Å; K241-Y248 HydrophobicContact CG-CE1 3.13Å; K241-Y248 HydrophobicContact CG-CG 4.16Å; Y248-P250 HydrophobicContact CE2-CB 4.19Å
249	L	48.6	Very low	42.5	Very low	82 Å²	82	90.5 Å²	90.5	43%	0.429	43%	0.427	S	S	.	.			trans	-89.6	120.1	175.6	-168.9	71.3	0	0	0	109.4	G237 F238 Y251	G237-L249 WeakPolarHBondContact O-CD1 2.97Å; F238-L249 HydrophobicContact CD1-CB 3.91Å; F238-L249 HydrophobicContact CD1-CD1 4.47Å; F238-L249 HydrophobicContact CD2-CD1 4.29Å; F238-L249 HydrophobicContact CE1-CB 3.72Å; F238-L249 HydrophobicContact CE1-CD1 4.38Å; F238-L249 HydrophobicContact CE2-CD1 4.19Å; F238-L249 HydrophobicContact CG-CD1 4.41Å; F238-L249 HydrophobicContact CZ-CB 4.27Å; F238-L249 HydrophobicContact CZ-CD1 4.23Å; L249-Y251 PolarHBondContact O-N 3.13Å
250	P	46.8	Very low	42.2	Very low	55 Å²	55	90.5 Å²	90.5	36%	0.357	43%	0.431	S	S	.	.			trans	-72.5	108.6	173.7	29.6	-34	0	0	0	110.4	G237 I239 Y248 G252	G237-P250 WeakPolarHBondContact O-CD 3.4Å; I239-P250 HydrophobicContact CD1-CB 4.12Å; I239-P250 HydrophobicContact CD1-CG 3.64Å; I239-P250 HydrophobicContact CG1-CG 4.12Å; Y248-P250 HydrophobicContact CE2-CB 4.19Å; P250-G252 PolarHBondContact O-N 3.17Å
251	Y	41.9	Very low	41.3	Very low	107 Å²	107	95.4 Å²	95.4	42%	0.42	46%	0.455	S	S	.	.			trans	-66.4	120.8	173.8	-113.2	-97.4	0	0	0	110.5	L249	L249-Y251 PolarHBondContact O-N 3.13Å
252	G	40.7	Very low	40.5	Very low	31 Å²	31	101 Å²	101	32%	0.32	47%	0.474	S	S	.	.			trans	-175.7	-0.6	176.1	0	0	0	0	0	115	P250	P250-G252 PolarHBondContact O-N 3.17Å
253	W	38.3	Very low	40.1	Very low	184 Å²	184	101.9 Å²	101.9	70%	0.697	48%	0.482	S	S	*	.	H	α-helix	trans	-85.9	-30	-179.3	-75.1	10.4	0	0	0	113.8	Q255 K256 A257 F272	W253-Q255 VanDerWaalsContact C-N 3.34Å; W253-Q255 PolarHBondContact O-N 2.92Å; W253-K256 WeakPolarHBondContact O-CB 3.41Å; W253-K256 PolarHBondContact O-N 3.27Å; W253-K256 VanDerWaalsContact O-N 3.11Å; W253-A257 PolarHBondContact O-N 2.79Å; W253-A257 VanDerWaalsContact O-N 3.14Å; W253-F272 HydrophobicContact CE3-CE1 4.39Å; W253-F272 HydrophobicContact CH2-CE1 4.39Å; W253-F272 HydrophobicContact CH2-CZ 4.28Å; W253-F272 HydrophobicContact CZ3-CD1 4.42Å; W253-F272 AromaticContact CZ3-CE1 3.58Å; W253-F272 HydrophobicContact CZ3-CE1 3.58Å; W253-F272 AromaticContact CZ3-CZ 3.71Å; W253-F272 HydrophobicContact CZ3-CZ 3.71Å
254	S	35.2	Very low	39.8	Very low	43 Å²	43	99.6 Å²	99.6	30%	0.301	47%	0.474	S	S	.	.	H	α-helix	trans	-61.7	-42.8	173.8	62.7	0	0	0	0	111.5	K256 A257 E258	S254-K256 PolarHBondContact O-N 3.42Å; S254-A257 PolarHBondContact O-N 2.88Å; S254-A257 VanDerWaalsContact O-N 3.17Å; S254-E258 PolarHBondContact O-N 3.33Å
255	Q	41.4	Very low	39.4	Very low	61 Å²	61	104.2 Å²	104.2	29%	0.285	50%	0.498	S	S	.	.	H	α-helix	trans	-62	-29.4	175.2	-74.8	-178.4	-4.7	0	0	112.8	W253 R259 Y303	W253-Q255 VanDerWaalsContact C-N 3.34Å; W253-Q255 PolarHBondContact O-N 2.92Å; Q255-R259 VanDerWaalsContact O-CB 3.26Å; Q255-R259 WeakPolarHBondContact O-CB 3.37Å; Q255-R259 PolarHBondContact O-N 2.83Å; Q255-Y303 PolarHBondContact NE2-O 2.7Å; Q255-Y303 VanDerWaalsContact NE2-O 3.11Å
256	K	36.4	Very low	38.7	Very low	151 Å²	151	105.4 Å²	105.4	66%	0.657	51%	0.513	S	S	*	.	H	α-helix	trans	-74.3	-37	177.4	-136.6	178.2	-173	-178.8	0	111.8	W253 S254 T260	W253-K256 WeakPolarHBondContact O-CB 3.41Å; W253-K256 PolarHBondContact O-N 3.27Å; W253-K256 VanDerWaalsContact O-N 3.11Å; S254-K256 PolarHBondContact O-N 3.42Å; K256-T260 WeakPolarHBondContact O-CG2 3.44Å; K256-T260 PolarHBondContact O-N 2.97Å; K256-T260 PolarHBondContact O-OG1 3.27Å
257	A	35	Very low	37.9	Very low	54 Å²	54	113.4 Å²	113.4	45%	0.446	54%	0.544	S	S	.	.	H	α-helix	trans	-71	-43.3	175.5	0	0	0	0	0	111.7	W253 S254 T260 K261	W253-A257 PolarHBondContact O-N 2.79Å; W253-A257 VanDerWaalsContact O-N 3.14Å; S254-A257 PolarHBondContact O-N 2.88Å; S254-A257 VanDerWaalsContact O-N 3.17Å; A257-T260 PolarHBondContact O-N 3.21Å; A257-T260 PolarHBondContact O-OG1 3.36Å; A257-K261 PolarHBondContact O-N 2.86Å
258	E	38.2	Very low	37	Very low	148 Å²	148	125.5 Å²	125.5	69%	0.692	59%	0.589	S	S	*	*	H	α-helix	trans	-67.2	-41.9	176.6	-75.7	-176.9	163.8	0	0	112.5	S254 T260 K261	S254-E258 PolarHBondContact O-N 3.33Å; E258-T260 PolarHBondContact O-N 3.17Å; E258-K261 PolarHBondContact O-N 3.41Å
259	R	39.9	Very low	36.2	Very low	194 Å²	194	126.6 Å²	126.6	73%	0.732	61%	0.608	S	S	*	*	H	α-helix	trans	-60.6	-32.5	175.3	-91.4	-171.9	175.7	157.2	7	112.9	Q255 D304	Q255-R259 VanDerWaalsContact O-CB 3.26Å; Q255-R259 WeakPolarHBondContact O-CB 3.37Å; Q255-R259 PolarHBondContact O-N 2.83Å; R259-D304 IonicContact NH2-OD1 3.32Å
260	T	45.5	Very low	35.1	Very low	81 Å²	81	129.4 Å²	129.4	50%	0.497	62%	0.623	S	S	.	*	H	α-helix	trans	-89.2	-8.7	-174.3	49.6	0	0	0	0	114	K256 A257 E258 R262	K256-T260 WeakPolarHBondContact O-CG2 3.44Å; K256-T260 PolarHBondContact O-N 2.97Å; K256-T260 PolarHBondContact O-OG1 3.27Å; A257-T260 PolarHBondContact O-N 3.21Å; A257-T260 PolarHBondContact O-OG1 3.36Å; E258-T260 PolarHBondContact O-N 3.17Å; T260-R262 PolarHBondContact O-N 2.88Å
261	K	35.9	Very low	34.3	Very low	194 Å²	194	132.3 Å²	132.3	84%	0.843	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	44	19.9	-179.7	-70	-169.5	179.2	-177.7	0	114.7	A257 E258 I263	A257-K261 PolarHBondContact O-N 2.86Å; E258-K261 PolarHBondContact O-N 3.41Å; K261-I263 PolarHBondContact O-N 2Å
262	R	29.3	Very low	33.7	Very low	199 Å²	199	135.3 Å²	135.3	75%	0.751	65%	0.648	S	S	*	*			trans	-92.3	106.4	174.8	-77.5	-177.5	179.5	-177.9	-0.5	105.4	T260 I264	T260-R262 PolarHBondContact O-N 2.88Å; R262-I264 HydrophobicContact CB-CG1 4.41Å; R262-I264 PolarHBondContact O-N 3.12Å
263	I	33.9	Very low	33.2	Very low	161 Å²	161	137.6 Å²	137.6	83%	0.826	65%	0.652	S	S	*	*			trans	-62	94.4	159.6	-58.9	172.7	0	0	0	104	K261 D265	K261-I263 PolarHBondContact O-N 2Å; I263-D265 PolarHBondContact O-N 3.01Å
264	I	32.3	Very low	32.8	Very low	118 Å²	118	135.6 Å²	135.6	61%	0.605	65%	0.645	S	S	*	*			trans	-69.4	93.7	173.6	-61.3	176.3	0	0	0	104.4	R262 T266	R262-I264 HydrophobicContact CB-CG1 4.41Å; R262-I264 PolarHBondContact O-N 3.12Å; I264-T266 HydrophobicContact CG2-CG2 3.38Å; I264-T266 PolarHBondContact O-N 3.4Å
265	D	27	Very low	32.4	Very low	143 Å²	143	144.2 Å²	144.2	77%	0.765	67%	0.673	S	S	*	*			trans	-73.1	55.8	171.7	-158	8.4	0	0	0	108.7	I263 K267	I263-D265 PolarHBondContact O-N 3.01Å; D265-K267 VanDerWaalsContact C-N 3.28Å; D265-K267 PolarHBondContact O-N 2.04Å
266	T	29.7	Very low	32	Very low	111 Å²	111	143.9 Å²	143.9	68%	0.681	68%	0.68	S	S	*	*			trans	-74.6	92.3	168.1	38.6	0	0	0	0	106.7	I264 R268	I264-T266 HydrophobicContact CG2-CG2 3.38Å; I264-T266 PolarHBondContact O-N 3.4Å; T266-R268 PolarHBondContact O-N 2.84Å
267	K	26.8	Very low	32.2	Very low	187 Å²	187	142.6 Å²	142.6	81%	0.813	68%	0.677	S	S	*	*			trans	-33.7	116.1	155.4	-79.6	-179.9	174.9	177.1	0	108.9	D265 S269	D265-K267 VanDerWaalsContact C-N 3.28Å; D265-K267 PolarHBondContact O-N 2.04Å; K267-S269 PolarHBondContact O-N 3.49Å; K267-S269 VanDerWaalsContact O-N 3.11Å
268	R	29.7	Very low	32.5	Very low	256 Å²	256	142.8 Å²	142.8	97%	0.966	67%	0.67	S	S	*	*	S	Bend	trans	-22.5	104.2	174.2	-77.2	172.6	166.6	172.8	-4.6	113.7	T266	T266-R268 PolarHBondContact O-N 2.84Å
269	S	27.3	Very low	32.9	Very low	99 Å²	99	140.9 Å²	140.9	69%	0.692	67%	0.665	S	S	*	*			trans	-146.7	101	148.8	68.5	0	0	0	0	108.3	K267	K267-S269 PolarHBondContact O-N 3.49Å; K267-S269 VanDerWaalsContact O-N 3.11Å
270	D	26	Very low	33.4	Very low	140 Å²	140	132.8 Å²	132.8	75%	0.749	64%	0.638	S	S	*	*	S	Bend	trans	66.1	126.3	155	-64.7	-15.3	0	0	0	121.3
271	Q	30.1	Very low	33.8	Very low	117 Å²	117	130.6 Å²	130.6	55%	0.547	63%	0.626	S	S	.	*			trans	86.1	32.2	133.9	-71.1	175.6	29.9	0	0	121.3
272	F	28.3	Very low	35	Very low	169 Å²	169	133 Å²	133	74%	0.741	63%	0.63	S	S	*	*			trans	-117.8	100.5	154.8	-82.8	-84.7	0	0	0	111.4	W253 Y274	W253-F272 HydrophobicContact CE3-CE1 4.39Å; W253-F272 HydrophobicContact CH2-CE1 4.39Å; W253-F272 HydrophobicContact CH2-CZ 4.28Å; W253-F272 HydrophobicContact CZ3-CD1 4.42Å; W253-F272 AromaticContact CZ3-CE1 3.58Å; W253-F272 HydrophobicContact CZ3-CE1 3.58Å; W253-F272 AromaticContact CZ3-CZ 3.71Å; W253-F272 HydrophobicContact CZ3-CZ 3.71Å; F272-Y274 PolarHBondContact O-N 3.18Å
273	I	30.7	Very low	36.9	Very low	79 Å²	79	128.9 Å²	128.9	41%	0.405	62%	0.621	S	S	.	*			trans	-67	62.1	174.4	-68	161.7	0	0	0	109	H207 A276	H207-I273 WeakPolarHBondContact CE1-CD1 3.05Å; H207-I273 WeakPolarHBondContact ND1-CD1 3.45Å; I273-A276 HydrophobicContact CG2-CB 3.42Å; I273-A276 VanDerWaalsContact CG2-CB 3.42Å
274	Y	30	Very low	38.6	Very low	143 Å²	143	121.2 Å²	121.2	56%	0.561	58%	0.582	S	S	*	*	S	Bend	trans	-80.1	-27.5	174	-162.4	-98.6	0	0	0	110.9	F272	F272-Y274 PolarHBondContact O-N 3.18Å
275	Y	27.9	Very low	40.1	Very low	223 Å²	223	116.6 Å²	116.6	88%	0.875	56%	0.559	S	S	*	*	S	Bend	trans	-94.8	-2	-179	-71.8	-70.6	0	0	0	115.7
276	A	32.6	Very low	42.2	Very low	54 Å²	54	116.2 Å²	116.2	45%	0.446	55%	0.551	S	S	.	*	S	Bend	trans	-108.4	4.9	-169.9	0	0	0	0	0	117.1	I273	I273-A276 HydrophobicContact CG2-CB 3.42Å; I273-A276 VanDerWaalsContact CG2-CB 3.42Å
277	Q	40.3	Very low	43.8	Very low	125 Å²	125	115.9 Å²	115.9	58%	0.584	54%	0.54	S	S	*	.	S	Bend	trans	-101.8	-5.5	-177.5	-84.1	-165.1	-18.2	0	0	117.3
278	N	41.6	Very low	45.2	Very low	58 Å²	58	110 Å²	110	31%	0.31	52%	0.52	S	S	.	.			trans	-102.3	90.2	154	-101.6	-13.8	0	0	0	108	C280 E310	N278-C280 PolarHBondContact O-N 2.76Å; N278-E310 WeakPolarHBondContact ND2-CB 3.12Å; N278-E310 PolarHBondContact ND2-O 2.77Å; N278-E310 PolarHBondContact OD1-O 3.39Å
279	N	45.5	Very low	46	Very low	108 Å²	108	101.1 Å²	101.1	58%	0.578	49%	0.489	S	S	*	.			trans	-68.5	36.8	170.6	-106.5	-6.7	0	0	0	111.2	S281 N322	N279-S281 PolarHBondContact O-N 2.93Å; N279-N322 HydrophobicContact CB-CB 4.46Å; N279-N322 VanDerWaalsContact O-CB 3.28Å; N279-N322 WeakPolarHBondContact O-CB 3.35Å
280	C	50	Low	46.8	Very low	24 Å²	24	100.5 Å²	100.5	16%	0.162	48%	0.483	C	S	.	.			trans	-55.9	110.7	172.8	-61.9	0	0	0	0	108.1	N278 R282 T285 C312	N278-C280 PolarHBondContact O-N 2.76Å; C280-R282 PolarHBondContact O-N 3.01Å; C280-T285 HydrophobicContact CB-CG2 4.04Å; C280-T285 VanDerWaalsContact CB-OG1 3.3Å; C280-T285 WeakPolarHBondContact CB-OG1 3.17Å; C280-C312 WeakPolarHBondContact CA-SG 3.32Å; C280-C312 HydrophobicContact CB-CB 3.83Å; C280-C312 WeakPolarHBondContact CB-SG 3.09Å; C280-C312 VanDerWaalsContact SG-CA 3.58Å; C280-C312 WeakPolarHBondContact SG-CB 3.33Å; C280-C312 CovalentContact SG-SG 2Å; C280-C312 PolarHBondContact SG-SG 3.24Å
281	S	55.6	Low	47.5	Very low	35 Å²	35	96.5 Å²	96.5	25%	0.245	46%	0.461	C	S	.	.			trans	-53.7	115.6	171.2	171	0	0	0	0	108.7	N279 I283 G284 T285 N322 C323	N279-S281 PolarHBondContact O-N 2.93Å; S281-I283 PolarHBondContact O-N 3.27Å; S281-I283 PolarHBondContact OG-N 2.86Å; S281-G284 PolarHBondContact O-N 3.07Å; S281-G284 PolarHBondContact OG-N 2.98Å; S281-T285 VanDerWaalsContact O-CB 3.28Å; S281-T285 WeakPolarHBondContact O-CB 3.04Å; S281-T285 PolarHBondContact O-N 2.9Å; S281-T285 PolarHBondContact O-OG1 3.35Å; S281-N322 WeakPolarHBondContact CB-O 3.48Å; S281-N322 PolarHBondContact N-O 3.33Å; S281-C323 WeakPolarHBondContact CB-O 3.17Å
282	R	59.7	Low	48	Very low	244 Å²	244	97.2 Å²	97.2	92%	0.921	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-30.4	176.9	-77.6	-173.4	175.5	-172.7	-1.3	112.4	C280	C280-R282 PolarHBondContact O-N 3.01Å
283	I	71	Confident	48.5	Very low	112 Å²	112	93.3 Å²	93.3	57%	0.574	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-46.4	179.3	-57.3	175.7	0	0	0	110	S281 K315 F318	S281-I283 PolarHBondContact O-N 3.27Å; S281-I283 PolarHBondContact OG-N 2.86Å; I283-K315 WeakPolarHBondContact O-CD 3.04Å; I283-K315 WeakPolarHBondContact O-CE 3.27Å; I283-K315 PolarHBondContact O-NZ 2.94Å; I283-F318 HydrophobicContact CB-CE1 4.48Å; I283-F318 HydrophobicContact CG2-CE1 4.02Å; I283-F318 HydrophobicContact CG2-CZ 3.68Å
284	G	69.5	Low	48.9	Very low	0 Å²	0	93 Å²	93	0%	0	46%	0.455	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-14.6	-172.1	0	0	0	0	0	115.8	S281 C314 K315	S281-G284 PolarHBondContact O-N 3.07Å; S281-G284 PolarHBondContact OG-N 2.98Å; G284-C314 CarbonylContact O-C 3.4Å; G284-C314 VanDerWaalsContact O-CA 3.32Å; G284-C314 WeakPolarHBondContact O-CA 3.28Å; G284-K315 PolarHBondContact O-N 2.88Å
285	T	63.6	Low	49.5	Very low	22 Å²	22	89.2 Å²	89.2	14%	0.135	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	125.1	-176.4	-58.5	0	0	0	0	111.4	C280 S281 F287 V288 C312 I313 C323	C280-T285 HydrophobicContact CB-CG2 4.04Å; C280-T285 VanDerWaalsContact CB-OG1 3.3Å; C280-T285 WeakPolarHBondContact CB-OG1 3.17Å; S281-T285 VanDerWaalsContact O-CB 3.28Å; S281-T285 WeakPolarHBondContact O-CB 3.04Å; S281-T285 PolarHBondContact O-N 2.9Å; S281-T285 PolarHBondContact O-OG1 3.35Å; T285-F287 WeakPolarHBondContact CG2-O 3.26Å; T285-V288 HydrophobicContact CG2-CG2 4.3Å; T285-C312 HydrophobicContact CG2-CB 4.16Å; T285-I313 CarbonylContact C-O 3.57Å; T285-C323 PolarHBondContact OG1-SG 2.85Å; T285-C323 VanDerWaalsContact OG1-SG 3.4Å
286	K	69.3	Low	49.9	Very low	134 Å²	134	88.5 Å²	88.5	58%	0.583	44%	0.443	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.6	-48.5	175	-166.5	179.1	-178.8	169.6	0	111.2	I313 K315	K286-I313 WeakPolarHBondContact CA-O 3.07Å; K286-I313 HydrophobicContact CB-CG2 4.34Å; K286-I313 WeakPolarHBondContact CB-O 3.42Å; K286-I313 PolarHBondContact N-O 3.17Å; K286-K315 HydrophobicContact CB-CG 4.17Å
287	F	65.3	Low	50.2	Low	105 Å²	105	94 Å²	94	46%	0.461	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.1	165.3	168.8	61.5	-85.9	0	0	0	110.8	T285 Q289 I313	T285-F287 WeakPolarHBondContact CG2-O 3.26Å; F287-Q289 HydrophobicContact CD2-CB 4.32Å; F287-Q289 HydrophobicContact CE2-CB 3.96Å; F287-Q289 HydrophobicContact CE2-CG 4.42Å; F287-I313 HydrophobicContact CD1-CB 4.29Å; F287-I313 HydrophobicContact CD1-CG2 4.39Å; F287-I313 HydrophobicContact CD2-CG1 4.2Å; F287-I313 HydrophobicContact CE1-CB 4.12Å; F287-I313 HydrophobicContact CE1-CG1 4.25Å; F287-I313 HydrophobicContact CE1-CG2 3.92Å; F287-I313 HydrophobicContact CE2-CB 4.42Å; F287-I313 HydrophobicContact CE2-CG1 3.78Å; F287-I313 HydrophobicContact CG-CB 4.49Å; F287-I313 HydrophobicContact CZ-CB 4.19Å; F287-I313 HydrophobicContact CZ-CG1 3.8Å; F287-I313 HydrophobicContact CZ-CG2 4.2Å; F287-I313 WeakPolarHBondContact O-CB 3.44Å; F287-I313 PolarHBondContact O-N 2.97Å
288	V	54.6	Low	50	Low	64 Å²	64	91.2 Å²	91.2	39%	0.388	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	122.9	175.5	-179.4	0	0	0	0	108.6	T285 E310 R311	T285-V288 HydrophobicContact CG2-CG2 4.3Å; V288-E310 HydrophobicContact CG1-CB 3.74Å; V288-E310 HydrophobicContact CG1-CG 4.18Å; V288-R311 WeakPolarHBondContact CA-O 3.24Å
289	Q	46.5	Very low	49.8	Very low	69 Å²	69	96.8 Å²	96.8	32%	0.322	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	124.5	-178.2	-171.2	177.9	15.9	0	0	110.7	F287 E310 R311 I313	F287-Q289 HydrophobicContact CD2-CB 4.32Å; F287-Q289 HydrophobicContact CE2-CB 3.96Å; F287-Q289 HydrophobicContact CE2-CG 4.42Å; Q289-E310 WeakPolarHBondContact O-CA 3.28Å; Q289-R311 HydrophobicContact CB-CG 4.01Å; Q289-R311 PolarHBondContact N-O 2.79Å; Q289-R311 PolarHBondContact O-N 3.3Å; Q289-R311 VanDerWaalsContact OE1-CZ 3.23Å; Q289-I313 HydrophobicContact CB-CG1 4.25Å
290	P	44.2	Very low	49	Very low	86 Å²	86	98.9 Å²	98.9	56%	0.558	50%	0.495	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.4	136	168.7	29.6	-32.1	0	0	0	109.9	T309	P290-T309 CarbonylContact C-O 3.56Å
291	I	40.3	Very low	48.3	Very low	55 Å²	55	102.6 Å²	102.6	28%	0.282	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	119.5	175.8	-59	170.4	0	0	0	107	I293 H308 T309 R311	I291-I293 HydrophobicContact CG2-CG1 4.21Å; I291-H308 WeakPolarHBondContact O-CA 3.01Å; I291-T309 HydrophobicContact CB-CG2 3.75Å; I291-T309 HydrophobicContact CD1-CG2 4.09Å; I291-T309 HydrophobicContact CG1-CG2 4.42Å; I291-T309 HydrophobicContact CG2-CG2 4.2Å; I291-T309 PolarHBondContact N-O 3.32Å; I291-T309 PolarHBondContact O-N 3.11Å; I291-T309 VanDerWaalsContact O-N 3.09Å; I291-R311 HydrophobicContact CD1-CB 4Å; I291-R311 HydrophobicContact CD1-CG 3.79Å; I291-R311 HydrophobicContact CG1-CG 4.2Å
292	E	41.3	Very low	47.2	Very low	133 Å²	133	104.6 Å²	104.6	62%	0.621	53%	0.527	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.5	113.9	170.5	-72.7	-177.8	176	0	0	109.8	S294 H308	E292-S294 PolarHBondContact O-N 3.11Å; E292-H308 IonicContact OE1-CE1 3.33Å; E292-H308 PolarHBondContact OE1-CE1 3.47Å; E292-H308 IonicContact OE1-ND1 3.08Å
293	I	39.3	Very low	45.9	Very low	86 Å²	86	100.4 Å²	100.4	44%	0.441	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	96.5	171.7	-55.6	176	0	0	0	107.8	I291 T295 H307 T309	I291-I293 HydrophobicContact CG2-CG1 4.21Å; I293-T295 PolarHBondContact O-N 3.41Å; I293-T295 VanDerWaalsContact O-N 3.17Å; I293-H307 PolarHBondContact N-O 3.49Å; I293-T309 HydrophobicContact CD1-CG2 4.45Å
294	S	38.7	Very low	44.2	Very low	72 Å²	72	99.3 Å²	99.3	50%	0.503	51%	0.507	S	S	.	.			trans	-66.6	109.2	172.1	-180	0	0	0	0	109.8	E292 R296	E292-S294 PolarHBondContact O-N 3.11Å; S294-R296 PolarHBondContact O-N 3.09Å
295	T	42.6	Very low	42.7	Very low	65 Å²	65	105 Å²	105	40%	0.399	53%	0.532	S	S	.	.			trans	-74.6	77	171	62.2	0	0	0	0	109	I293 N297	I293-T295 PolarHBondContact O-N 3.41Å; I293-T295 VanDerWaalsContact O-N 3.17Å; T295-N297 PolarHBondContact O-N 3.23Å
296	R	36.1	Very low	41.2	Very low	208 Å²	208	106.2 Å²	106.2	79%	0.785	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	98.3	176.2	-70.6	-173.8	-175.1	-166	1.7	109.9	S294	S294-R296 PolarHBondContact O-N 3.09Å
297	N	40.2	Very low	39.8	Very low	169 Å²	169	103.7 Å²	103.7	90%	0.904	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-173.1	20.1	147.2	-97.1	1.5	0	0	0	113.8	T295	T295-N297 PolarHBondContact O-N 3.23Å
298	S	35	Very low	38.4	Very low	66 Å²	66	102.5 Å²	102.5	46%	0.462	52%	0.523	S	S	.	.			trans	-119.2	123.6	162.8	65.6	0	0	0	0	109.8	Q300	S298-Q300 PolarHBondContact O-N 2.71Å; S298-Q300 PolarHBondContact OG-O 2.79Å
299	N	36.9	Very low	38	Very low	176 Å²	176	102.7 Å²	102.7	94%	0.941	53%	0.525	S	S	*	.	S	Bend	trans	-69.7	24.6	173.4	-74.4	-10.9	0	0	0	113.1
300	Q	30.1	Very low	37.9	Very low	152 Å²	152	104.6 Å²	104.6	71%	0.71	53%	0.534	S	S	*	.	S	Bend	trans	-139.6	132.8	168.6	-68.3	-173.1	-13.8	0	0	107.6	S298 N302	S298-Q300 PolarHBondContact O-N 2.71Å; S298-Q300 PolarHBondContact OG-O 2.79Å; Q300-N302 PolarHBondContact O-N 2.93Å
301	P	33.4	Very low	38.3	Very low	102 Å²	102	106.3 Å²	106.3	66%	0.662	53%	0.529	S	S	*	.			trans	-64.2	98.6	176.4	24.6	-30.3	0	0	0	108.8	Y303	P301-Y303 HydrophobicContact CB-CE2 4.05Å; P301-Y303 HydrophobicContact CG-CE2 4.25Å; P301-Y303 WeakPolarHBondContact O-CD2 3.42Å; P301-Y303 PolarHBondContact O-N 2.94Å
302	N	34.2	Very low	39	Very low	77 Å²	77	104.4 Å²	104.4	41%	0.412	52%	0.52	S	S	.	.			trans	-89.9	90	174.8	-163.4	-16.6	0	0	0	108	Q300 D304 K305	Q300-N302 PolarHBondContact O-N 2.93Å; N302-D304 PolarHBondContact O-N 2.92Å; N302-D304 PolarHBondContact OD1-N 3.05Å; N302-K305 PolarHBondContact O-N 3.04Å
303	Y	31.2	Very low	40	Very low	156 Å²	156	100 Å²	100	61%	0.612	50%	0.501	S	S	*	.	G	3₁₀ helix	trans	-56.9	-19.8	-178.9	-66.1	-87.1	0	0	0	113.4	Q255 P301 K305 L306	Q255-Y303 PolarHBondContact NE2-O 2.7Å; Q255-Y303 VanDerWaalsContact NE2-O 3.11Å; P301-Y303 HydrophobicContact CB-CE2 4.05Å; P301-Y303 HydrophobicContact CG-CE2 4.25Å; P301-Y303 WeakPolarHBondContact O-CD2 3.42Å; P301-Y303 PolarHBondContact O-N 2.94Å; Y303-K305 PolarHBondContact O-N 2.82Å; Y303-L306 HydrophobicContact CD1-CD1 3.63Å; Y303-L306 HydrophobicContact CE1-CD1 4.31Å; Y303-L306 HydrophobicContact CG-CD1 4.36Å; Y303-L306 PolarHBondContact O-N 2.93Å
304	D	36.1	Very low	41	Very low	89 Å²	89	97.3 Å²	97.3	48%	0.476	49%	0.489	S	S	.	.	G	3₁₀ helix	trans	-72.9	-7.7	175.9	-65.6	-11.5	0	0	0	112.8	R259 N302	R259-D304 IonicContact NH2-OD1 3.32Å; N302-D304 PolarHBondContact O-N 2.92Å; N302-D304 PolarHBondContact OD1-N 3.05Å
305	K	37.2	Very low	42.4	Very low	118 Å²	118	98.3 Å²	98.3	51%	0.513	49%	0.485	S	S	.	.	G	3₁₀ helix	trans	-117.7	9.7	177.5	-68	-172.7	-179.6	177.6	0	114.5	N302 Y303 H307	N302-K305 PolarHBondContact O-N 3.04Å; Y303-K305 PolarHBondContact O-N 2.82Å; K305-H307 PolarHBondContact O-N 2.8Å; K305-H307 VanDerWaalsContact O-N 3.11Å
306	L	31.7	Very low	43.9	Very low	49 Å²	49	102.8 Å²	102.8	26%	0.257	51%	0.506	S	S	.	.			trans	-74.1	101.2	169.3	-71.7	166.8	0	0	0	108.5	Y303 H308	Y303-L306 HydrophobicContact CD1-CD1 3.63Å; Y303-L306 HydrophobicContact CE1-CD1 4.31Å; Y303-L306 HydrophobicContact CG-CD1 4.36Å; Y303-L306 PolarHBondContact O-N 2.93Å; L306-H308 PolarHBondContact O-N 3.03Å
307	H	39.9	Very low	45.3	Very low	81 Å²	81	99.9 Å²	99.9	38%	0.375	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	108.1	172.2	-65.3	-59.8	0	0	0	108.4	I293 K305	I293-H307 PolarHBondContact N-O 3.49Å; K305-H307 PolarHBondContact O-N 2.8Å; K305-H307 VanDerWaalsContact O-N 3.11Å
308	H	36.5	Very low	46.6	Very low	79 Å²	79	92.9 Å²	92.9	37%	0.366	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	119.4	170.9	-61.6	-84.9	0	0	0	108.8	I291 E292 L306	I291-H308 WeakPolarHBondContact O-CA 3.01Å; E292-H308 IonicContact OE1-CE1 3.33Å; E292-H308 PolarHBondContact OE1-CE1 3.47Å; E292-H308 IonicContact OE1-ND1 3.08Å; L306-H308 PolarHBondContact O-N 3.03Å
309	T	46.1	Very low	47.4	Very low	69 Å²	69	96.2 Å²	96.2	42%	0.423	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	152.4	164.4	-172.6	0	0	0	0	108.4	P290 I291 I293	P290-T309 CarbonylContact C-O 3.56Å; I291-T309 HydrophobicContact CB-CG2 3.75Å; I291-T309 HydrophobicContact CD1-CG2 4.09Å; I291-T309 HydrophobicContact CG1-CG2 4.42Å; I291-T309 HydrophobicContact CG2-CG2 4.2Å; I291-T309 PolarHBondContact N-O 3.32Å; I291-T309 PolarHBondContact O-N 3.11Å; I291-T309 VanDerWaalsContact O-N 3.09Å; I293-T309 HydrophobicContact CD1-CG2 4.45Å
310	E	44.7	Very low	47.9	Very low	108 Å²	108	90.1 Å²	90.1	51%	0.505	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	144	179.4	-71	175.7	179.8	0	0	109.4	N278 V288 Q289	N278-E310 WeakPolarHBondContact ND2-CB 3.12Å; N278-E310 PolarHBondContact ND2-O 2.77Å; N278-E310 PolarHBondContact OD1-O 3.39Å; V288-E310 HydrophobicContact CG1-CB 3.74Å; V288-E310 HydrophobicContact CG1-CG 4.18Å; Q289-E310 WeakPolarHBondContact O-CA 3.28Å
311	R	52	Low	48.7	Very low	122 Å²	122	88.6 Å²	88.6	46%	0.46	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	146.6	172.9	65.7	166.5	173.8	-171.9	9.5	112.6	V288 Q289 I291 I313	V288-R311 WeakPolarHBondContact CA-O 3.24Å; Q289-R311 HydrophobicContact CB-CG 4.01Å; Q289-R311 PolarHBondContact N-O 2.79Å; Q289-R311 PolarHBondContact O-N 3.3Å; Q289-R311 VanDerWaalsContact OE1-CZ 3.23Å; I291-R311 HydrophobicContact CD1-CB 4Å; I291-R311 HydrophobicContact CD1-CG 3.79Å; I291-R311 HydrophobicContact CG1-CG 4.2Å; R311-I313 HydrophobicContact CG-CD1 4.2Å
312	C	55.6	Low	49.6	Very low	15 Å²	15	86.2 Å²	86.2	10%	0.101	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	116.2	170.9	-42.1	0	0	0	0	109.9	C280 T285 T321	C280-C312 WeakPolarHBondContact CA-SG 3.32Å; C280-C312 HydrophobicContact CB-CB 3.83Å; C280-C312 WeakPolarHBondContact CB-SG 3.09Å; C280-C312 VanDerWaalsContact SG-CA 3.58Å; C280-C312 WeakPolarHBondContact SG-CB 3.33Å; C280-C312 CovalentContact SG-SG 2Å; C280-C312 PolarHBondContact SG-SG 3.24Å; T285-C312 HydrophobicContact CG2-CB 4.16Å; C312-T321 WeakPolarHBondContact CB-O 3.28Å; C312-T321 PolarHBondContact SG-O 3.11Å
313	I	62	Low	50.6	Low	41 Å²	41	82.6 Å²	82.6	21%	0.21	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	117.4	166.8	-58.7	-58.8	0	0	0	107.4	T285 K286 F287 Q289 R311	T285-I313 CarbonylContact C-O 3.57Å; K286-I313 WeakPolarHBondContact CA-O 3.07Å; K286-I313 HydrophobicContact CB-CG2 4.34Å; K286-I313 WeakPolarHBondContact CB-O 3.42Å; K286-I313 PolarHBondContact N-O 3.17Å; F287-I313 HydrophobicContact CD1-CB 4.29Å; F287-I313 HydrophobicContact CD1-CG2 4.39Å; F287-I313 HydrophobicContact CD2-CG1 4.2Å; F287-I313 HydrophobicContact CE1-CB 4.12Å; F287-I313 HydrophobicContact CE1-CG1 4.25Å; F287-I313 HydrophobicContact CE1-CG2 3.92Å; F287-I313 HydrophobicContact CE2-CB 4.42Å; F287-I313 HydrophobicContact CE2-CG1 3.78Å; F287-I313 HydrophobicContact CG-CB 4.49Å; F287-I313 HydrophobicContact CZ-CB 4.19Å; F287-I313 HydrophobicContact CZ-CG1 3.8Å; F287-I313 HydrophobicContact CZ-CG2 4.2Å; F287-I313 WeakPolarHBondContact O-CB 3.44Å; F287-I313 PolarHBondContact O-N 2.97Å; Q289-I313 HydrophobicContact CB-CG1 4.25Å; R311-I313 HydrophobicContact CG-CD1 4.2Å
314	C	59.9	Low	51.7	Low	29 Å²	29	79 Å²	79	20%	0.196	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	153.6	-176.7	-51.5	0	0	0	0	112.6	G284 F318 G320 C323	G284-C314 CarbonylContact O-C 3.4Å; G284-C314 VanDerWaalsContact O-CA 3.32Å; G284-C314 WeakPolarHBondContact O-CA 3.28Å; C314-F318 HydrophobicContact CB-CB 4.15Å; C314-F318 WeakPolarHBondContact CB-O 3.3Å; C314-G320 PolarHBondContact SG-O 3.11Å; C314-G320 VanDerWaalsContact SG-O 3.33Å; C314-C323 WeakPolarHBondContact CA-SG 3.34Å; C314-C323 HydrophobicContact CB-CB 3.7Å; C314-C323 WeakPolarHBondContact CB-SG 3.44Å; C314-C323 WeakPolarHBondContact SG-CA 3.03Å; C314-C323 WeakPolarHBondContact SG-CB 3.39Å; C314-C323 CovalentContact SG-SG 2.04Å; C314-C323 PolarHBondContact SG-SG 3.38Å
315	K	68.3	Low	52.7	Low	94 Å²	94	79.9 Å²	79.9	41%	0.409	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-69.7	155.4	162.7	-64	175	-176.5	169.5	0	108.7	I283 G284 K286 E317 F318	I283-K315 WeakPolarHBondContact O-CD 3.04Å; I283-K315 WeakPolarHBondContact O-CE 3.27Å; I283-K315 PolarHBondContact O-NZ 2.94Å; G284-K315 PolarHBondContact O-N 2.88Å; K286-K315 HydrophobicContact CB-CG 4.17Å; K315-E317 PolarHBondContact O-N 3.14Å; K315-F318 HydrophobicContact CB-CD2 3.94Å; K315-F318 PolarHBondContact O-N 3.47Å
316	D	74.8	Confident	53.4	Low	159 Å²	159	78.1 Å²	78.1	85%	0.85	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-24.4	-168.1	-57	-22.5	0	0	0	114.1	F318	D316-F318 VanDerWaalsContact C-N 3.34Å
317	E	65.6	Low	53.8	Low	147 Å²	147	83.7 Å²	83.7	69%	0.687	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	1	178.7	-59.9	166.4	-179	0	0	114.2	K315 V326	K315-E317 PolarHBondContact O-N 3.14Å; E317-V326 WeakPolarHBondContact O-CG2 3.26Å; E317-V326 PolarHBondContact O-N 3Å
318	F	66.6	Low	53.7	Low	21 Å²	21	84.9 Å²	84.9	9%	0.092	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	146.9	-172.6	-64.9	-102.3	0	0	0	111	I283 C314 K315 D316 C323 N324 Q325	I283-F318 HydrophobicContact CB-CE1 4.48Å; I283-F318 HydrophobicContact CG2-CE1 4.02Å; I283-F318 HydrophobicContact CG2-CZ 3.68Å; C314-F318 HydrophobicContact CB-CB 4.15Å; C314-F318 WeakPolarHBondContact CB-O 3.3Å; K315-F318 HydrophobicContact CB-CD2 3.94Å; K315-F318 PolarHBondContact O-N 3.47Å; D316-F318 VanDerWaalsContact C-N 3.34Å; F318-C323 HydrophobicContact CB-CB 4.1Å; F318-C323 VanDerWaalsContact CD1-O 3.24Å; F318-C323 WeakPolarHBondContact CD1-O 3.42Å; F318-N324 CarbonylContact C-O 2.98Å; F318-N324 WeakPolarHBondContact CA-O 3.4Å; F318-Q325 VanDerWaalsContact CD1-CA 3.49Å; F318-Q325 HydrophobicContact CD1-CB 3.91Å; F318-Q325 HydrophobicContact CD1-CG 4.33Å; F318-Q325 HydrophobicContact CE1-CB 3.61Å; F318-Q325 HydrophobicContact CE1-CG 3.78Å; F318-Q325 HydrophobicContact CZ-CB 4.4Å; F318-Q325 HydrophobicContact CZ-CG 4.08Å
319	Y	53.5	Low	53.5	Low	137 Å²	137	87.6 Å²	87.6	54%	0.537	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	164.8	-172.8	76.9	-75.5	0	0	0	113.5	C323 N324 V326	Y319-C323 CarbonylContact O-C 3.54Å; Y319-C323 WeakPolarHBondContact O-CA 3.49Å; Y319-N324 VanDerWaalsContact CD1-O 3.24Å; Y319-N324 WeakPolarHBondContact CD1-O 3.48Å; Y319-N324 HydrophobicContact CE1-CB 4.29Å; Y319-N324 PolarHBondContact N-O 3.07Å; Y319-N324 PolarHBondContact O-N 3.35Å; Y319-V326 HydrophobicContact CD1-CB 4.42Å; Y319-V326 HydrophobicContact CD1-CG2 3.42Å; Y319-V326 VanDerWaalsContact CD1-CG2 3.42Å; Y319-V326 HydrophobicContact CE1-CG2 3.98Å; Y319-V326 HydrophobicContact CG-CG2 4.29Å
320	G	46.9	Very low	53	Low	48 Å²	48	91.2 Å²	91.2	50%	0.495	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.3	174	178.2	0	0	0	0	0	113.8	C314 N322 C323	C314-G320 PolarHBondContact SG-O 3.11Å; C314-G320 VanDerWaalsContact SG-O 3.33Å; G320-N322 PolarHBondContact O-N 3.31Å; G320-N322 VanDerWaalsContact O-N 3.17Å; G320-C323 PolarHBondContact O-N 3.27Å; G320-C323 VanDerWaalsContact O-N 3.13Å
321	T	46.9	Very low	52.5	Low	119 Å²	119	99.7 Å²	99.7	73%	0.73	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-23.1	-176	53.8	0	0	0	0	113.6	C312	C312-T321 WeakPolarHBondContact CB-O 3.28Å; C312-T321 PolarHBondContact SG-O 3.11Å
322	N	52.4	Low	52.5	Low	53 Å²	53	98.6 Å²	98.6	28%	0.283	50%	0.501	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	1.2	-179.4	-64.2	-8	0	0	0	113	N279 S281 G320	N279-N322 HydrophobicContact CB-CB 4.46Å; N279-N322 VanDerWaalsContact O-CB 3.28Å; N279-N322 WeakPolarHBondContact O-CB 3.35Å; S281-N322 WeakPolarHBondContact CB-O 3.48Å; S281-N322 PolarHBondContact N-O 3.33Å; G320-N322 PolarHBondContact O-N 3.31Å; G320-N322 VanDerWaalsContact O-N 3.17Å
323	C	54.5	Low	52.4	Low	0 Å²	0	103 Å²	103	0%	0	52%	0.522	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.9	57.9	-173.3	-52.1	0	0	0	0	113.2	S281 T285 C314 F318 Y319 G320	S281-C323 WeakPolarHBondContact CB-O 3.17Å; T285-C323 PolarHBondContact OG1-SG 2.85Å; T285-C323 VanDerWaalsContact OG1-SG 3.4Å; C314-C323 WeakPolarHBondContact CA-SG 3.34Å; C314-C323 HydrophobicContact CB-CB 3.7Å; C314-C323 WeakPolarHBondContact CB-SG 3.44Å; C314-C323 WeakPolarHBondContact SG-CA 3.03Å; C314-C323 WeakPolarHBondContact SG-CB 3.39Å; C314-C323 CovalentContact SG-SG 2.04Å; C314-C323 PolarHBondContact SG-SG 3.38Å; F318-C323 HydrophobicContact CB-CB 4.1Å; F318-C323 VanDerWaalsContact CD1-O 3.24Å; F318-C323 WeakPolarHBondContact CD1-O 3.42Å; Y319-C323 CarbonylContact O-C 3.54Å; Y319-C323 WeakPolarHBondContact O-CA 3.49Å; G320-C323 PolarHBondContact O-N 3.27Å; G320-C323 VanDerWaalsContact O-N 3.13Å
324	N	53.8	Low	51.8	Low	80 Å²	80	106.4 Å²	106.4	43%	0.428	54%	0.54	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	144.3	175.7	-64.5	-18.5	0	0	0	110.3	F318 Y319	F318-N324 CarbonylContact C-O 2.98Å; F318-N324 WeakPolarHBondContact CA-O 3.4Å; Y319-N324 VanDerWaalsContact CD1-O 3.24Å; Y319-N324 WeakPolarHBondContact CD1-O 3.48Å; Y319-N324 HydrophobicContact CE1-CB 4.29Å; Y319-N324 PolarHBondContact N-O 3.07Å; Y319-N324 PolarHBondContact O-N 3.35Å
325	Q	57.7	Low	51.4	Low	109 Å²	109	111 Å²	111	51%	0.509	56%	0.56	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-69.7	134	179.9	-164	169.4	-3.6	0	0	110.2	F318 F327	F318-Q325 VanDerWaalsContact CD1-CA 3.49Å; F318-Q325 HydrophobicContact CD1-CB 3.91Å; F318-Q325 HydrophobicContact CD1-CG 4.33Å; F318-Q325 HydrophobicContact CE1-CB 3.61Å; F318-Q325 HydrophobicContact CE1-CG 3.78Å; F318-Q325 HydrophobicContact CZ-CB 4.4Å; F318-Q325 HydrophobicContact CZ-CG 4.08Å; Q325-F327 PolarHBondContact O-N 2.83Å
326	V	51.1	Low	50.3	Low	80 Å²	80	112.1 Å²	112.1	49%	0.485	57%	0.569	S	S	.	*			trans	-72.9	112.2	170.8	-176.4	0	0	0	0	107.5	E317 Y319 P328	E317-V326 WeakPolarHBondContact O-CG2 3.26Å; E317-V326 PolarHBondContact O-N 3Å; Y319-V326 HydrophobicContact CD1-CB 4.42Å; Y319-V326 HydrophobicContact CD1-CG2 3.42Å; Y319-V326 VanDerWaalsContact CD1-CG2 3.42Å; Y319-V326 HydrophobicContact CE1-CG2 3.98Å; Y319-V326 HydrophobicContact CG-CG2 4.29Å; V326-P328 WeakPolarHBondContact O-CD 3.49Å
327	F	41.7	Very low	48.7	Very low	167 Å²	167	108.9 Å²	108.9	73%	0.732	55%	0.551	S	S	*	*			trans	-72.1	122.4	169	-66.4	-77.7	0	0	0	108.2	Q325 I329	Q325-F327 PolarHBondContact O-N 2.83Å; F327-I329 PolarHBondContact O-N 2.86Å
328	P	37.4	Very low	47.5	Very low	105 Å²	105	106.2 Å²	106.2	68%	0.682	54%	0.541	S	S	*	.			trans	-62.5	124.3	172.3	23	-28.9	0	0	0	108.8	V326 N330	V326-P328 WeakPolarHBondContact O-CD 3.49Å; P328-N330 PolarHBondContact O-N 2.77Å; P328-N330 VanDerWaalsContact O-N 3.09Å
329	I	31.8	Very low	46	Very low	136 Å²	136	112.8 Å²	112.8	70%	0.697	58%	0.575	S	S	*	*			trans	-72.9	99.4	170.4	-57.4	172.8	0	0	0	105.6	F327 Y331	F327-I329 PolarHBondContact O-N 2.86Å; I329-Y331 PolarHBondContact O-N 3.48Å
330	N	35.7	Very low	45.4	Very low	145 Å²	145	110.8 Å²	110.8	78%	0.775	58%	0.579	S	S	*	*			trans	-69.8	114.8	167	-73.1	-16.9	0	0	0	107.1	P328	P328-N330 PolarHBondContact O-N 2.77Å; P328-N330 VanDerWaalsContact O-N 3.09Å
331	Y	34.5	Very low	45.2	Very low	287 Å²	287	116.5 Å²	116.5	100%	1.125	59%	0.586	S	S	*	*			trans	-69.2	0	172.6	-80.2	-81.8	0	0	0	111.6	I329	I329-Y331 PolarHBondContact O-N 3.48Å

Retrieved 331 of 331 residues in 426.9 ms (Link to these results)

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