A0A077Z7J3_TRITR Loading...

poly(A)-specific ribonuclease

AlphaFold DB , UniProt , Accession A0A077Z7J3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 273 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.6	Very low	41.9	Very low	247 Å²	247	141.5 Å²	141.5	100%	1.217	84%	0.842	S	S	*	*				0	104.5	0	-76.7	173	158.1	0	0	106.9
2	S	43.9	Very low	42	Very low	112 Å²	112	137.9 Å²	137.9	78%	0.783	82%	0.822	S	S	*	*			trans	-71.4	124.9	177.2	49.3	0	0	0	0	108.7	E4	S2-E4 PolarHBondContact O-N 2.62Å
3	A	43.5	Very low	41.6	Very low	94 Å²	94	140.2 Å²	140.2	78%	0.777	83%	0.826	S	S	*	*			trans	-67.9	100.5	171.4	0	0	0	0	0	108.4	Q5	A3-Q5 PolarHBondContact O-N 3.35Å; A3-Q5 VanDerWaalsContact O-N 3.11Å
4	E	46.4	Very low	41.5	Very low	189 Å²	189	137.6 Å²	137.6	88%	0.883	80%	0.8	S	S	*	*			trans	-63.1	108.9	164.9	-86.8	179.3	148.3	0	0	107.7	S2 A6	S2-E4 PolarHBondContact O-N 2.62Å; E4-A6 PolarHBondContact O-N 3.41Å
5	Q	42	Very low	41.4	Very low	185 Å²	185	134.8 Å²	134.8	86%	0.864	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-63.5	122.3	170.3	-77	175.9	-27.2	0	0	108.2	A3	A3-Q5 PolarHBondContact O-N 3.35Å; A3-Q5 VanDerWaalsContact O-N 3.11Å
6	A	50.7	Low	41.5	Very low	89 Å²	89	139.1 Å²	139.1	74%	0.736	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-55.8	135.4	173	0	0	0	0	0	109.7	E4	E4-A6 PolarHBondContact O-N 3.41Å
7	P	41.3	Very low	41.8	Very low	116 Å²	116	140.5 Å²	140.5	75%	0.753	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-62.4	145	-179.3	23.9	-31.4	0	0	0	110.6	A9	P7-A9 PolarHBondContact O-N 2.99Å
8	P	40.3	Very low	42.3	Very low	123 Å²	123	142.8 Å²	142.8	80%	0.799	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-60.5	134.5	-178.1	23.3	-31.6	0	0	0	110.5	Q10	P8-Q10 PolarHBondContact O-N 2.7Å
9	A	40.8	Very low	43.3	Very low	100 Å²	100	141.3 Å²	141.3	83%	0.826	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-54.1	125.5	177.2	0	0	0	0	0	109.9	P7	P7-A9 PolarHBondContact O-N 2.99Å
10	Q	35.5	Very low	44.6	Very low	179 Å²	179	135.7 Å²	135.7	84%	0.836	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-62.6	136.9	172.9	-73.6	-176.5	-9.3	0	0	108.9	P8 V12	P8-Q10 PolarHBondContact O-N 2.7Å; Q10-V12 PolarHBondContact O-N 2.79Å; Q10-V12 VanDerWaalsContact O-N 3.14Å
11	P	35.4	Very low	45.9	Very low	122 Å²	122	134.3 Å²	134.3	79%	0.792	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-61.4	121.6	176.7	-9.4	19.6	0	0	0	109	L13	P11-L13 PolarHBondContact O-N 2.88Å; P11-L13 VanDerWaalsContact O-N 3.13Å
12	V	43.8	Very low	47.9	Very low	99 Å²	99	126.4 Å²	126.4	60%	0.6	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-59.8	117.6	169.3	-174.6	0	0	0	0	106.8	Q10 F14	Q10-V12 PolarHBondContact O-N 2.79Å; Q10-V12 VanDerWaalsContact O-N 3.14Å; V12-F14 WeakPolarHBondContact O-CD2 3.38Å; V12-F14 PolarHBondContact O-N 3.06Å
13	L	36.7	Very low	49.9	Very low	167 Å²	167	121.2 Å²	121.2	87%	0.874	67%	0.667	S	S	*	*			trans	-71.8	93.6	-180	-120.5	141.7	0	0	0	107.9	P11	P11-L13 PolarHBondContact O-N 2.88Å; P11-L13 VanDerWaalsContact O-N 3.13Å
14	F	40.5	Very low	52.1	Low	104 Å²	104	120.7 Å²	120.7	46%	0.456	66%	0.663	S	S	.	*	P	Polyproline II helix	trans	-57.6	129	176.8	-65.1	-79	0	0	0	110	V12 K16 Y127 E128	V12-F14 WeakPolarHBondContact O-CD2 3.38Å; V12-F14 PolarHBondContact O-N 3.06Å; F14-K16 PolarHBondContact O-N 2.89Å; F14-Y127 AromaticContact CE1-CE1 3.83Å; F14-Y127 HydrophobicContact CE1-CE1 3.83Å; F14-Y127 HydrophobicContact CZ-CE1 4.04Å; F14-E128 WeakPolarHBondContact CE1-OE1 3.45Å; F14-E128 WeakPolarHBondContact CE1-OE2 3.42Å
15	P	39	Very low	54.3	Low	96 Å²	96	115.9 Å²	115.9	62%	0.623	65%	0.65	S	S	*	*	P	Polyproline II helix	trans	-58.5	143.2	174	22.6	-29.5	0	0	0	109.8	R17	P15-R17 PolarHBondContact O-N 3.22Å
16	K	44	Very low	56.7	Low	204 Å²	204	110.9 Å²	110.9	89%	0.887	62%	0.624	S	S	*	*	P	Polyproline II helix	trans	-49.8	116.1	-178.4	-77	-179.9	175.5	177.7	0	110.2	F14 R18	F14-K16 PolarHBondContact O-N 2.89Å; K16-R18 PolarHBondContact O-N 2.8Å
17	R	45.8	Very low	58.9	Low	163 Å²	163	106.9 Å²	106.9	62%	0.615	59%	0.591	S	S	*	*			trans	-38.4	115.5	178.4	-72.5	174.9	173.7	-153.5	-14.9	111.7	P15 T19 D136	P15-R17 PolarHBondContact O-N 3.22Å; R17-T19 PolarHBondContact O-N 2.94Å; R17-D136 IonicContact CZ-OD1 3.8Å; R17-D136 IonicContact CZ-OD2 3.21Å; R17-D136 IonicContact NH1-OD1 3.66Å; R17-D136 PolarHBondContact NH1-OD1 2.94Å; R17-D136 IonicContact NH1-OD2 3.05Å; R17-D136 PolarHBondContact NH1-OD2 3.2Å; R17-D136 IonicContact NH2-OD1 3.98Å; R17-D136 PolarHBondContact NH2-OD1 2.86Å; R17-D136 IonicContact NH2-OD2 3.51Å
18	R	51	Low	61.5	Low	182 Å²	182	101.6 Å²	101.6	69%	0.687	56%	0.557	S	S	*	*			trans	-89.9	92.7	166.6	-79	-179.5	169.7	178.4	-3.1	108.5	K16 G134	K16-R18 PolarHBondContact O-N 2.8Å; R18-G134 VanDerWaalsContact O-CA 3.3Å; R18-G134 WeakPolarHBondContact O-CA 3.45Å
19	T	61.7	Low	64.3	Low	114 Å²	114	96.8 Å²	96.8	70%	0.699	53%	0.525	S	S	*	.			trans	-59.5	136.6	146.8	50.2	0	0	0	0	106.4	R17 P21	R17-T19 PolarHBondContact O-N 2.94Å; T19-P21 WeakPolarHBondContact O-CD 3.42Å
20	D	69.5	Low	67	Low	29 Å²	29	94.5 Å²	94.5	16%	0.155	50%	0.499	C	S	.	.			trans	-77	100.1	174.6	-177.6	-0.2	0	0	0	109.2	N22 A23 G241 V242	D20-N22 PolarHBondContact O-N 3.38Å; D20-N22 WeakPolarHBondContact OD1-CA 3.35Å; D20-N22 PolarHBondContact OD1-N 3.16Å; D20-A23 HydrophobicContact CB-CB 4.03Å; D20-A23 PolarHBondContact O-N 3.41Å; D20-A23 PolarHBondContact OD1-N 3.2Å; D20-G241 WeakPolarHBondContact OD2-CA 3.24Å; D20-V242 HydrophobicContact CB-CG2 3.78Å
21	P	71.3	Confident	70	Confident	107 Å²	107	86 Å²	86	70%	0.695	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-18	-179.1	33.2	-37.2	0	0	0	111.7	T19	T19-P21 WeakPolarHBondContact O-CD 3.42Å
22	N	83.3	Confident	73	Confident	80 Å²	80	81.2 Å²	81.2	43%	0.428	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-6.8	-173.8	-62.8	-25.6	0	0	0	112.4	D20 A24 S25 Y26	D20-N22 PolarHBondContact O-N 3.38Å; D20-N22 WeakPolarHBondContact OD1-CA 3.35Å; D20-N22 PolarHBondContact OD1-N 3.16Å; N22-A24 PolarHBondContact O-N 3.3Å; N22-A24 VanDerWaalsContact O-N 3.16Å; N22-S25 WeakPolarHBondContact O-CA 3.26Å; N22-S25 WeakPolarHBondContact O-CB 3.36Å; N22-S25 PolarHBondContact O-N 3.35Å; N22-S25 PolarHBondContact O-OG 2.97Å; N22-Y26 HydrophobicContact CB-CD2 4.25Å; N22-Y26 HydrophobicContact CB-CE2 3.62Å; N22-Y26 WeakPolarHBondContact O-CD2 3.5Å; N22-Y26 PolarHBondContact O-N 3.22Å
23	A	85.6	Confident	75.6	Confident	3 Å²	3	80.2 Å²	80.2	3%	0.025	42%	0.416	C	S	.	.	G	3₁₀ helix	trans	-48.6	-47.4	-179.6	0	0	0	0	0	112.2	D20 S25 Y26 G27 I28	D20-A23 HydrophobicContact CB-CB 4.03Å; D20-A23 PolarHBondContact O-N 3.41Å; D20-A23 PolarHBondContact OD1-N 3.2Å; A23-S25 VanDerWaalsContact C-N 3.32Å; A23-S25 PolarHBondContact O-N 3.11Å; A23-Y26 PolarHBondContact O-N 3.03Å; A23-Y26 VanDerWaalsContact O-N 3.11Å; A23-G27 PolarHBondContact O-N 3.28Å; A23-I28 HydrophobicContact CB-CB 4.11Å; A23-I28 HydrophobicContact CB-CG2 4.39Å; A23-I28 WeakPolarHBondContact O-CB 3.24Å; A23-I28 PolarHBondContact O-N 3.07Å
24	A	89	Confident	78.5	Confident	83 Å²	83	76.1 Å²	76.1	69%	0.686	42%	0.415	S	S	*	.	G	3₁₀ helix	trans	-63.6	-34.8	178	0	0	0	0	0	113.1	N22 Y26 G27	N22-A24 PolarHBondContact O-N 3.3Å; N22-A24 VanDerWaalsContact O-N 3.16Å; A24-Y26 PolarHBondContact O-N 2.72Å; A24-G27 PolarHBondContact O-N 3.38Å
25	S	92.4	Very high	81.3	Confident	89 Å²	89	73.2 Å²	73.2	62%	0.622	40%	0.404	S	S	*	.	G	3₁₀ helix	trans	-68	-22.8	176.5	75.2	0	0	0	0	113	N22 A23	N22-S25 WeakPolarHBondContact O-CA 3.26Å; N22-S25 WeakPolarHBondContact O-CB 3.36Å; N22-S25 PolarHBondContact O-N 3.35Å; N22-S25 PolarHBondContact O-OG 2.97Å; A23-S25 VanDerWaalsContact C-N 3.32Å; A23-S25 PolarHBondContact O-N 3.11Å
26	Y	92.9	Very high	84.1	Confident	80 Å²	80	68.7 Å²	68.7	31%	0.314	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-89	-5	172.8	-58.5	-52.4	0	0	0	113.5	N22 A23 A24 N107 K240 G241	N22-Y26 HydrophobicContact CB-CD2 4.25Å; N22-Y26 HydrophobicContact CB-CE2 3.62Å; N22-Y26 WeakPolarHBondContact O-CD2 3.5Å; N22-Y26 PolarHBondContact O-N 3.22Å; A23-Y26 PolarHBondContact O-N 3.03Å; A23-Y26 VanDerWaalsContact O-N 3.11Å; A24-Y26 PolarHBondContact O-N 2.72Å; Y26-N107 PolarHBondContact O-ND2 2.76Å; Y26-N107 PolarHBondContact O-OD1 3.46Å; Y26-K240 HydrophobicContact CD1-CB 3.77Å; Y26-K240 HydrophobicContact CD1-CD 3.99Å; Y26-K240 HydrophobicContact CD1-CG 3.69Å; Y26-K240 HydrophobicContact CD2-CB 4.16Å; Y26-K240 HydrophobicContact CE1-CB 4.31Å; Y26-K240 HydrophobicContact CE1-CG 4.1Å; Y26-K240 HydrophobicContact CG-CB 3.69Å; Y26-K240 HydrophobicContact CG-CD 4.46Å; Y26-K240 HydrophobicContact CG-CG 4.15Å; Y26-G241 VanDerWaalsContact CD2-N 3.34Å; Y26-G241 VanDerWaalsContact CE2-N 3.35Å
27	G	96.1	Very high	86.7	Confident	4 Å²	4	64.1 Å²	64.1	4%	0.041	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.7	10.7	-175.8	0	0	0	0	0	115.1	A23 A24 V29 G105 N107 T108	A23-G27 PolarHBondContact O-N 3.28Å; A24-G27 PolarHBondContact O-N 3.38Å; G27-V29 PolarHBondContact O-N 3.37Å; G27-G105 WeakPolarHBondContact CA-O 3.21Å; G27-N107 PolarHBondContact O-N 3.21Å; G27-N107 PolarHBondContact O-OD1 2.91Å; G27-T108 PolarHBondContact O-N 2.89Å
28	I	97.5	Very high	89.2	Confident	6 Å²	6	60.3 Å²	60.3	3%	0.031	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	118.5	175.3	-57.8	171.1	0	0	0	109.4	A23 T108 Q110 M251	A23-I28 HydrophobicContact CB-CB 4.11Å; A23-I28 HydrophobicContact CB-CG2 4.39Å; A23-I28 WeakPolarHBondContact O-CB 3.24Å; A23-I28 PolarHBondContact O-N 3.07Å; I28-T108 CarbonylContact C-O 3.35Å; I28-T108 WeakPolarHBondContact CA-O 3.19Å; I28-T108 HydrophobicContact CG1-CG2 4.13Å; I28-T108 HydrophobicContact CG2-CG2 4.36Å; I28-Q110 HydrophobicContact CG2-CB 4.03Å; I28-M251 HydrophobicContact CD1-CE 4.36Å; I28-M251 HydrophobicContact CG1-CE 3.87Å
29	V	97.7	Very high	91.4	Very high	21 Å²	21	52.5 Å²	52.5	13%	0.127	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	115.9	177.2	-175.8	0	0	0	0	109.4	G27 V31 E39 K106 T108 Q110	G27-V29 PolarHBondContact O-N 3.37Å; V29-V31 HydrophobicContact CG1-CG2 4.42Å; V29-V31 PolarHBondContact O-N 3.46Å; V29-E39 HydrophobicContact CG1-CG 3.97Å; V29-K106 HydrophobicContact CG2-CB 3.81Å; V29-K106 HydrophobicContact CG2-CD 3.78Å; V29-K106 HydrophobicContact CG2-CG 3.53Å; V29-T108 PolarHBondContact N-O 3.35Å; V29-Q110 PolarHBondContact O-N 2.91Å
30	N	97.5	Very high	93.2	Very high	52 Å²	52	47.1 Å²	47.1	28%	0.278	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	113.9	170.6	-81.5	-75.8	0	0	0	110.3	N35 Q110 N112	N30-N35 PolarHBondContact O-ND2 3.37Å; N30-N35 VanDerWaalsContact O-ND2 3.11Å; N30-Q110 PolarHBondContact OD1-NE2 2.84Å; N30-N112 PolarHBondContact OD1-ND2 3.16Å
31	V	98.5	Very high	94.5	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	127.5	176.6	-164.1	0	0	0	0	108.8	V29 N35 L36 E39 W109 Q110 F111 N112 I145	V29-V31 HydrophobicContact CG1-CG2 4.42Å; V29-V31 PolarHBondContact O-N 3.46Å; V31-N35 WeakPolarHBondContact CA-OD1 3.44Å; V31-L36 HydrophobicContact CG1-CB 4.42Å; V31-L36 HydrophobicContact CG1-CD1 4.08Å; V31-E39 HydrophobicContact CG1-CB 4.09Å; V31-E39 HydrophobicContact CG2-CB 3.97Å; V31-E39 HydrophobicContact CG2-CG 4.33Å; V31-W109 HydrophobicContact CG2-CB 4.24Å; V31-W109 HydrophobicContact CG2-CG 4.35Å; V31-Q110 PolarHBondContact N-O 2.91Å; V31-F111 HydrophobicContact CB-CD1 3.7Å; V31-F111 HydrophobicContact CB-CE1 4.09Å; V31-F111 HydrophobicContact CB-CG 4.35Å; V31-F111 HydrophobicContact CG1-CD1 3.79Å; V31-F111 HydrophobicContact CG1-CE1 3.96Å; V31-F111 HydrophobicContact CG2-CD1 3.96Å; V31-F111 HydrophobicContact CG2-CE1 3.94Å; V31-F111 HydrophobicContact CG2-CZ 4.45Å; V31-N112 PolarHBondContact O-N 2.86Å; V31-N112 PolarHBondContact O-ND2 2.84Å; V31-I145 HydrophobicContact CB-CD1 4.16Å; V31-I145 HydrophobicContact CG1-CD1 3.95Å; V31-I145 WeakPolarHBondContact O-CD1 3.47Å
32	W	98.6	Very high	95.8	Very high	23 Å²	23	48 Å²	48	9%	0.087	28%	0.284	C	S	.	.			trans	-127	174.2	176.8	-63.4	93	0	0	0	108.2	G34 N35 L36 N112 R139 F140 D143 I145	W32-G34 PolarHBondContact O-N 3.37Å; W32-G34 VanDerWaalsContact O-N 3.14Å; W32-N35 PolarHBondContact N-OD1 3.22Å; W32-N35 PolarHBondContact O-N 3.2Å; W32-N35 PolarHBondContact O-OD1 3.19Å; W32-L36 PolarHBondContact O-N 3.3Å; W32-N112 HydrophobicContact CD2-CB 3.91Å; W32-N112 HydrophobicContact CE3-CB 3.58Å; W32-N112 HydrophobicContact CH2-CB 3.5Å; W32-N112 VanDerWaalsContact CH2-CB 3.5Å; W32-N112 HydrophobicContact CZ2-CB 3.82Å; W32-N112 HydrophobicContact CZ3-CB 3.37Å; W32-R139 VanDerWaalsContact CE2-CZ 3.41Å; W32-R139 HydrophobicContact CE3-CG 4.27Å; W32-R139 HydrophobicContact CH2-CB 4.28Å; W32-R139 HydrophobicContact CH2-CG 3.86Å; W32-R139 HydrophobicContact CZ2-CG 4.34Å; W32-R139 HydrophobicContact CZ3-CB 4.38Å; W32-R139 HydrophobicContact CZ3-CG 3.81Å; W32-F140 HydrophobicContact CH2-CD2 4.01Å; W32-F140 AromaticContact CH2-CE2 3.91Å; W32-F140 HydrophobicContact CH2-CE2 3.91Å; W32-F140 HydrophobicContact CH2-CG 4.5Å; W32-F140 HydrophobicContact CH2-CZ 4.29Å; W32-F140 HydrophobicContact CZ3-CD2 4.29Å; W32-F140 HydrophobicContact CZ3-CG 4.36Å; W32-D143 HydrophobicContact CD2-CB 4.39Å; W32-D143 HydrophobicContact CE3-CB 3.83Å; W32-D143 HydrophobicContact CZ3-CB 4.5Å; W32-I145 VanDerWaalsContact C-CG1 3.45Å
33	N	98.5	Very high	96.5	Very high	77 Å²	77	44.2 Å²	44.2	41%	0.412	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-36.4	-179.2	-166.2	60.6	0	0	0	112.6	N35 D143	N33-N35 VanDerWaalsContact C-N 3.35Å; N33-N35 PolarHBondContact O-N 3.14Å; N33-D143 VanDerWaalsContact CB-O 3.27Å; N33-D143 WeakPolarHBondContact CB-O 3.35Å; N33-D143 PolarHBondContact N-O 3.29Å
34	G	98.1	Very high	97	Very high	82 Å²	82	45.8 Å²	45.8	85%	0.845	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-18.5	-177.1	0	0	0	0	0	116.1	W32	W32-G34 PolarHBondContact O-N 3.37Å; W32-G34 VanDerWaalsContact O-N 3.14Å
35	N	98.4	Very high	97.4	Very high	43 Å²	43	47.1 Å²	47.1	23%	0.23	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.8	4.9	179.2	68.9	-12.6	0	0	0	113.7	N30 V31 W32 N33 Y37 T38 E39	N30-N35 PolarHBondContact O-ND2 3.37Å; N30-N35 VanDerWaalsContact O-ND2 3.11Å; V31-N35 WeakPolarHBondContact CA-OD1 3.44Å; W32-N35 PolarHBondContact N-OD1 3.22Å; W32-N35 PolarHBondContact O-N 3.2Å; W32-N35 PolarHBondContact O-OD1 3.19Å; N33-N35 VanDerWaalsContact C-N 3.35Å; N33-N35 PolarHBondContact O-N 3.14Å; N35-Y37 VanDerWaalsContact C-N 3.31Å; N35-Y37 PolarHBondContact O-N 3.08Å; N35-T38 PolarHBondContact O-N 2.96Å; N35-E39 HydrophobicContact CB-CG 4.13Å; N35-E39 WeakPolarHBondContact O-CB 3.49Å; N35-E39 WeakPolarHBondContact O-CG 3Å; N35-E39 PolarHBondContact O-N 3.21Å
36	L	98.7	Very high	97.6	Very high	0 Å²	0	44 Å²	44	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-46.8	-51.8	-177.3	178.3	66.2	0	0	0	113	V31 W32 E39 I40 F111 I145 F150	V31-L36 HydrophobicContact CG1-CB 4.42Å; V31-L36 HydrophobicContact CG1-CD1 4.08Å; W32-L36 PolarHBondContact O-N 3.3Å; L36-E39 PolarHBondContact O-N 2.82Å; L36-I40 HydrophobicContact CD1-CD1 3.5Å; L36-I40 VanDerWaalsContact CD1-CD1 3.5Å; L36-I40 HydrophobicContact CD1-CG1 4.18Å; L36-I40 HydrophobicContact CG-CD1 4.03Å; L36-I40 WeakPolarHBondContact O-CB 3.41Å; L36-I40 WeakPolarHBondContact O-CG1 3.43Å; L36-I40 PolarHBondContact O-N 3.36Å; L36-F111 HydrophobicContact CD1-CD1 4.25Å; L36-F111 HydrophobicContact CD1-CE1 4.27Å; L36-I145 HydrophobicContact CD1-CD1 4.05Å; L36-I145 HydrophobicContact CD1-CG1 4.3Å; L36-I145 HydrophobicContact CD1-CG2 4Å; L36-I145 HydrophobicContact CD2-CG2 3.85Å; L36-I145 HydrophobicContact CG-CG2 4.48Å; L36-F150 HydrophobicContact CD1-CD2 4.25Å
37	Y	98.3	Very high	97.8	Very high	108 Å²	108	40.5 Å²	40.5	42%	0.424	23%	0.234	S	C	.	.	H	α-helix	trans	-66.5	-46.5	-174.1	-62.9	-58.5	0	0	0	112.7	N35 E39 E41 R153	N35-Y37 VanDerWaalsContact C-N 3.31Å; N35-Y37 PolarHBondContact O-N 3.08Å; Y37-E39 VanDerWaalsContact C-N 3.32Å; Y37-E39 PolarHBondContact O-N 3.47Å; Y37-E41 PolarHBondContact O-N 3.49Å; Y37-R153 VanDerWaalsContact CD1-CD 3.49Å; Y37-R153 HydrophobicContact CD1-CG 3.53Å; Y37-R153 HydrophobicContact CE1-CG 3.5Å; Y37-R153 VanDerWaalsContact CE1-CG 3.5Å; Y37-R153 PolarHBondContact O-NH2 3.35Å
38	T	98.4	Very high	97.8	Very high	84 Å²	84	44.5 Å²	44.5	52%	0.515	27%	0.266	S	S	.	.	H	α-helix	trans	-63.2	-39.7	177.9	-56.5	0	0	0	0	111.9	N35 E41 S42	N35-T38 PolarHBondContact O-N 2.96Å; T38-E41 PolarHBondContact O-N 3.04Å; T38-S42 PolarHBondContact O-N 3.29Å; T38-S42 PolarHBondContact O-OG 3.24Å
39	E	98.3	Very high	97.8	Very high	17 Å²	17	51.8 Å²	51.8	8%	0.079	30%	0.298	C	S	.	.	H	α-helix	trans	-77.6	-34	-177.4	-65.7	-52.2	151.9	0	0	112.6	V29 V31 N35 L36 Y37 E41 S42 L43 K106 W109	V29-E39 HydrophobicContact CG1-CG 3.97Å; V31-E39 HydrophobicContact CG1-CB 4.09Å; V31-E39 HydrophobicContact CG2-CB 3.97Å; V31-E39 HydrophobicContact CG2-CG 4.33Å; N35-E39 HydrophobicContact CB-CG 4.13Å; N35-E39 WeakPolarHBondContact O-CB 3.49Å; N35-E39 WeakPolarHBondContact O-CG 3Å; N35-E39 PolarHBondContact O-N 3.21Å; L36-E39 PolarHBondContact O-N 2.82Å; Y37-E39 VanDerWaalsContact C-N 3.32Å; Y37-E39 PolarHBondContact O-N 3.47Å; E39-E41 VanDerWaalsContact C-N 3.35Å; E39-S42 WeakPolarHBondContact O-CB 2.99Å; E39-S42 PolarHBondContact O-N 2.73Å; E39-L43 PolarHBondContact O-N 3.13Å; E39-K106 IonicContact OE1-NZ 2.76Å; E39-K106 PolarHBondContact OE1-NZ 2.89Å; E39-K106 IonicContact OE2-NZ 2.72Å; E39-K106 PolarHBondContact OE2-NZ 3.04Å; E39-W109 PolarHBondContact O-NE1 2.91Å; E39-W109 PolarHBondContact OE2-NE1 3.43Å
40	I	98.3	Very high	97.8	Very high	2 Å²	2	53.1 Å²	53.1	1%	0.01	30%	0.301	C	S	.	.	H	α-helix	trans	-67	-37.1	170.5	-68.6	176.9	0	0	0	111.3	L36 S42 L43 S44 F111 F150 R153	L36-I40 HydrophobicContact CD1-CD1 3.5Å; L36-I40 VanDerWaalsContact CD1-CD1 3.5Å; L36-I40 HydrophobicContact CD1-CG1 4.18Å; L36-I40 HydrophobicContact CG-CD1 4.03Å; L36-I40 WeakPolarHBondContact O-CB 3.41Å; L36-I40 WeakPolarHBondContact O-CG1 3.43Å; L36-I40 PolarHBondContact O-N 3.36Å; I40-S42 VanDerWaalsContact C-N 3.3Å; I40-S42 PolarHBondContact O-N 3.1Å; I40-L43 HydrophobicContact CB-CD2 4.31Å; I40-L43 HydrophobicContact CG1-CD2 4Å; I40-L43 WeakPolarHBondContact O-CG 3.14Å; I40-L43 PolarHBondContact O-N 3Å; I40-S44 PolarHBondContact O-N 2.82Å; I40-S44 PolarHBondContact O-OG 2.72Å; I40-F111 HydrophobicContact CD1-CE1 4.26Å; I40-F111 HydrophobicContact CG1-CE1 3.97Å; I40-F111 HydrophobicContact CG1-CZ 4.37Å; I40-F150 HydrophobicContact CD1-CD2 4.47Å; I40-R153 HydrophobicContact CB-CB 4.39Å; I40-R153 HydrophobicContact CD1-CB 3.38Å; I40-R153 HydrophobicContact CD1-CG 4.43Å; I40-R153 HydrophobicContact CG1-CB 4.45Å; I40-R153 HydrophobicContact CG2-CB 4.06Å
41	E	97.6	Very high	97.8	Very high	120 Å²	120	51.4 Å²	51.4	56%	0.561	29%	0.293	S	S	*	.	H	α-helix	trans	-64.3	-38.1	172.9	-174.8	174.8	-171.4	0	0	112	Y37 T38 E39 S44 N45	Y37-E41 PolarHBondContact O-N 3.49Å; T38-E41 PolarHBondContact O-N 3.04Å; E39-E41 VanDerWaalsContact C-N 3.35Å; E41-S44 PolarHBondContact O-N 2.69Å; E41-N45 PolarHBondContact O-N 3.2Å; E41-N45 PolarHBondContact O-ND2 2.89Å
42	S	97.8	Very high	97.8	Very high	35 Å²	35	51.4 Å²	51.4	25%	0.245	29%	0.293	C	S	.	.	H	α-helix	trans	-62.6	-46	175	-60.3	0	0	0	0	111.7	T38 E39 I40 N45 V46	T38-S42 PolarHBondContact O-N 3.29Å; T38-S42 PolarHBondContact O-OG 3.24Å; E39-S42 WeakPolarHBondContact O-CB 2.99Å; E39-S42 PolarHBondContact O-N 2.73Å; I40-S42 VanDerWaalsContact C-N 3.3Å; I40-S42 PolarHBondContact O-N 3.1Å; S42-N45 PolarHBondContact O-N 2.99Å; S42-V46 PolarHBondContact O-N 3.3Å
43	L	97.5	Very high	97.8	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-69.5	-32.2	179.4	80.2	87.2	0	0	0	112.7	E39 I40 N45 V46 V47 F95 W109 F111	E39-L43 PolarHBondContact O-N 3.13Å; I40-L43 HydrophobicContact CB-CD2 4.31Å; I40-L43 HydrophobicContact CG1-CD2 4Å; I40-L43 WeakPolarHBondContact O-CG 3.14Å; I40-L43 PolarHBondContact O-N 3Å; L43-N45 PolarHBondContact O-N 3.5Å; L43-V46 WeakPolarHBondContact O-CA 3.32Å; L43-V46 WeakPolarHBondContact O-CB 3.18Å; L43-V46 PolarHBondContact O-N 2.95Å; L43-V47 PolarHBondContact O-N 3.1Å; L43-F95 HydrophobicContact CB-CE2 4.3Å; L43-F95 HydrophobicContact CB-CZ 4.17Å; L43-F95 HydrophobicContact CD1-CZ 3.99Å; L43-W109 HydrophobicContact CB-CD2 3.83Å; L43-W109 HydrophobicContact CB-CE3 4.12Å; L43-W109 HydrophobicContact CB-CG 4.32Å; L43-W109 HydrophobicContact CB-CH2 4.33Å; L43-W109 HydrophobicContact CB-CZ2 4.02Å; L43-W109 HydrophobicContact CB-CZ3 4.36Å; L43-W109 HydrophobicContact CD2-CG 4.16Å; L43-F111 HydrophobicContact CD2-CE1 4.5Å; L43-F111 HydrophobicContact CD2-CZ 3.64Å
44	S	97.1	Very high	97.8	Very high	35 Å²	35	46.7 Å²	46.7	25%	0.245	27%	0.269	C	S	.	.	H	α-helix	trans	-59.2	-34	173.9	-60.7	0	0	0	0	112.3	I40 E41 V47 S157	I40-S44 PolarHBondContact O-N 2.82Å; I40-S44 PolarHBondContact O-OG 2.72Å; E41-S44 PolarHBondContact O-N 2.69Å; S44-V47 WeakPolarHBondContact O-CG1 3.44Å; S44-S157 WeakPolarHBondContact CA-O 3.4Å; S44-S157 VanDerWaalsContact CB-O 3.27Å; S44-S157 WeakPolarHBondContact CB-O 3.43Å; S44-S157 VanDerWaalsContact OG-CA 3.25Å; S44-S157 WeakPolarHBondContact OG-CA 3.46Å; S44-S157 WeakPolarHBondContact OG-CB 3.41Å; S44-S157 PolarHBondContact OG-O 3.03Å
45	N	96.3	Very high	97.8	Very high	112 Å²	112	42.8 Å²	42.8	60%	0.599	23%	0.229	S	C	*	.	H	α-helix	trans	-74.7	-28.8	174.6	-69.9	-55.5	0	0	0	112.5	E41 S42 L43	E41-N45 PolarHBondContact O-N 3.2Å; E41-N45 PolarHBondContact O-ND2 2.89Å; S42-N45 PolarHBondContact O-N 2.99Å; L43-N45 PolarHBondContact O-N 3.5Å
46	V	98	Very high	97.9	Very high	23 Å²	23	41.7 Å²	41.7	14%	0.139	22%	0.223	C	C	.	.	H	α-helix	trans	-76.8	-43.7	-179.7	167	0	0	0	0	111.6	S42 L43 A48 K49 Y50 F95 P103 W109	S42-V46 PolarHBondContact O-N 3.3Å; L43-V46 WeakPolarHBondContact O-CA 3.32Å; L43-V46 WeakPolarHBondContact O-CB 3.18Å; L43-V46 PolarHBondContact O-N 2.95Å; V46-A48 PolarHBondContact O-N 2.77Å; V46-A48 VanDerWaalsContact O-N 3.1Å; V46-K49 PolarHBondContact O-N 3.5Å; V46-Y50 HydrophobicContact CG1-CD2 3.91Å; V46-Y50 HydrophobicContact CG1-CG 4.27Å; V46-Y50 WeakPolarHBondContact O-CD2 3.37Å; V46-Y50 PolarHBondContact O-N 2.92Å; V46-F95 HydrophobicContact CG1-CB 3.76Å; V46-F95 HydrophobicContact CG1-CD1 4.06Å; V46-F95 HydrophobicContact CG1-CD2 4.48Å; V46-F95 HydrophobicContact CG1-CG 3.84Å; V46-P103 HydrophobicContact CG1-CB 4.41Å; V46-P103 HydrophobicContact CG1-CG 3.54Å; V46-W109 HydrophobicContact CB-CH2 4.31Å; V46-W109 HydrophobicContact CG1-CH2 4.47Å; V46-W109 HydrophobicContact CG1-CZ3 4.36Å; V46-W109 HydrophobicContact CG2-CH2 3.85Å
47	V	97.5	Very high	97.8	Very high	7 Å²	7	42 Å²	42	4%	0.042	23%	0.225	C	C	.	.	H	α-helix	trans	-58.7	-29.6	-175.2	71.1	0	0	0	0	113	L43 S44 K49 Y50 P51 V53 F95 V159 V165	L43-V47 PolarHBondContact O-N 3.1Å; S44-V47 WeakPolarHBondContact O-CG1 3.44Å; V47-K49 VanDerWaalsContact C-N 3.26Å; V47-K49 PolarHBondContact O-N 3.2Å; V47-Y50 CarbonylContact O-C 3.59Å; V47-Y50 PolarHBondContact O-N 2.98Å; V47-P51 WeakPolarHBondContact O-CA 3.33Å; V47-V53 HydrophobicContact CG2-CG2 4.48Å; V47-F95 HydrophobicContact CB-CD1 4.3Å; V47-F95 HydrophobicContact CB-CE1 3.89Å; V47-F95 HydrophobicContact CG2-CD1 4.48Å; V47-F95 HydrophobicContact CG2-CE1 4.06Å; V47-V159 HydrophobicContact CG2-CB 4.4Å; V47-V159 HydrophobicContact CG2-CG2 4.04Å; V47-V165 HydrophobicContact CG2-CG1 4.47Å; V47-V165 HydrophobicContact CG2-CG2 3.53Å
48	A	94.9	Very high	97.9	Very high	87 Å²	87	37.8 Å²	37.8	72%	0.719	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-27.3	176.4	0	0	0	0	0	114	V46	V46-A48 PolarHBondContact O-N 2.77Å; V46-A48 VanDerWaalsContact O-N 3.1Å
49	K	97.1	Very high	97.8	Very high	159 Å²	159	36 Å²	36	69%	0.691	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.9	-24	178.4	-65.5	179.3	-177.2	177.8	0	112.7	V46 V47 P51	V46-K49 PolarHBondContact O-N 3.5Å; V47-K49 VanDerWaalsContact C-N 3.26Å; V47-K49 PolarHBondContact O-N 3.2Å; K49-P51 VanDerWaalsContact C-CD 3.49Å; K49-P51 WeakPolarHBondContact O-CD 3.22Å
50	Y	98.4	Very high	97.8	Very high	49 Å²	49	35.2 Å²	35.2	19%	0.192	19%	0.19	C	C	.	.			trans	-127	70.5	-175.4	-59.2	-94	0	0	0	109.3	V46 V47 I52 F95 F96 E101 P103	V46-Y50 HydrophobicContact CG1-CD2 3.91Å; V46-Y50 HydrophobicContact CG1-CG 4.27Å; V46-Y50 WeakPolarHBondContact O-CD2 3.37Å; V46-Y50 PolarHBondContact O-N 2.92Å; V47-Y50 CarbonylContact O-C 3.59Å; V47-Y50 PolarHBondContact O-N 2.98Å; Y50-I52 VanDerWaalsContact C-N 3.26Å; Y50-I52 PolarHBondContact O-N 3.29Å; Y50-F95 WeakPolarHBondContact O-CD1 3.48Å; Y50-F96 CarbonylContact C-O 3.02Å; Y50-F96 WeakPolarHBondContact CA-O 3.42Å; Y50-E101 WeakPolarHBondContact CD1-O 3.48Å; Y50-P103 VanDerWaalsContact CD1-CD 3.5Å; Y50-P103 HydrophobicContact CD1-CG 3.75Å; Y50-P103 HydrophobicContact CD2-CB 4.17Å; Y50-P103 HydrophobicContact CD2-CG 3.64Å; Y50-P103 HydrophobicContact CE1-CB 4.23Å; Y50-P103 HydrophobicContact CE1-CG 3.96Å; Y50-P103 HydrophobicContact CE2-CB 3.84Å; Y50-P103 HydrophobicContact CE2-CG 3.83Å; Y50-P103 HydrophobicContact CG-CG 3.61Å; Y50-P103 VanDerWaalsContact CZ-CA 3.5Å
51	P	97.8	Very high	97.6	Very high	17 Å²	17	35.8 Å²	35.8	11%	0.11	20%	0.197	C	C	.	.			trans	-80.2	-0.7	-169	34.5	-38.9	0	0	0	114	V47 K49 E98 V165 K166	V47-P51 WeakPolarHBondContact O-CA 3.33Å; K49-P51 VanDerWaalsContact C-CD 3.49Å; K49-P51 WeakPolarHBondContact O-CD 3.22Å; P51-E98 HydrophobicContact CG-CG 4.29Å; P51-E98 WeakPolarHBondContact CG-OE1 3.35Å; P51-V165 CarbonylContact O-C 3.58Å; P51-V165 VanDerWaalsContact O-CA 3.27Å; P51-V165 WeakPolarHBondContact O-CA 3.43Å; P51-V165 WeakPolarHBondContact O-CG1 3.29Å; P51-K166 PolarHBondContact O-N 3.33Å
52	I	98.3	Very high	97.3	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	114.3	176.8	-49.9	-60.1	0	0	0	108.3	Y50 F95 F96 K166 L168 F258 L271	Y50-I52 VanDerWaalsContact C-N 3.26Å; Y50-I52 PolarHBondContact O-N 3.29Å; I52-F95 CarbonylContact O-C 3.47Å; I52-F96 HydrophobicContact CB-CB 4.1Å; I52-F96 WeakPolarHBondContact CB-O 3.39Å; I52-F96 PolarHBondContact N-O 2.84Å; I52-F96 PolarHBondContact O-N 3.39Å; I52-K166 WeakPolarHBondContact CA-O 3.32Å; I52-K166 HydrophobicContact CD1-CB 3.6Å; I52-K166 HydrophobicContact CD1-CD 3.6Å; I52-K166 HydrophobicContact CD1-CG 3.68Å; I52-L168 HydrophobicContact CG2-CD1 3.49Å; I52-L168 VanDerWaalsContact CG2-CD1 3.49Å; I52-L168 HydrophobicContact CG2-CD2 4.37Å; I52-L168 HydrophobicContact CG2-CG 3.87Å; I52-F258 HydrophobicContact CB-CE2 4.43Å; I52-F258 HydrophobicContact CB-CZ 4.07Å; I52-F258 HydrophobicContact CG1-CZ 4.03Å; I52-F258 HydrophobicContact CG2-CE2 3.92Å; I52-F258 HydrophobicContact CG2-CZ 3.83Å; I52-L271 HydrophobicContact CD1-CD1 4.19Å
53	V	98.7	Very high	97.1	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	111.4	-171.3	-176.8	0	0	0	0	109.6	V47 L93 S94 F95 V159 V165 K166 W167 L168	V47-V53 HydrophobicContact CG2-CG2 4.48Å; V53-L93 HydrophobicContact CG1-CB 4.23Å; V53-L93 HydrophobicContact CG1-CD2 4.45Å; V53-L93 HydrophobicContact CG1-CG 4.2Å; V53-S94 WeakPolarHBondContact CA-O 3.49Å; V53-F95 HydrophobicContact CG1-CE1 4.39Å; V53-F95 HydrophobicContact CG1-CZ 4.4Å; V53-F95 HydrophobicContact CG2-CD1 3.73Å; V53-F95 HydrophobicContact CG2-CE1 3.58Å; V53-F95 HydrophobicContact CG2-CZ 4.36Å; V53-V159 HydrophobicContact CG1-CG2 4.49Å; V53-V159 HydrophobicContact CG2-CG2 3.93Å; V53-V165 HydrophobicContact CB-CG1 4.36Å; V53-V165 HydrophobicContact CG2-CG1 3.71Å; V53-K166 PolarHBondContact N-O 3.29Å; V53-W167 HydrophobicContact CB-CD2 4.31Å; V53-W167 HydrophobicContact CB-CE3 4.32Å; V53-W167 HydrophobicContact CG1-CD2 4.39Å; V53-W167 HydrophobicContact CG1-CE3 3.98Å; V53-W167 HydrophobicContact CG1-CH2 4.05Å; V53-W167 HydrophobicContact CG1-CZ2 4.44Å; V53-W167 HydrophobicContact CG1-CZ3 3.79Å; V53-W167 CarbonylContact O-C 3.53Å; V53-W167 VanDerWaalsContact O-CA 3.3Å; V53-W167 WeakPolarHBondContact O-CA 3.3Å; V53-L168 PolarHBondContact O-N 2.83Å
54	A	98.6	Very high	96.8	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	132.9	170	0	0	0	0	0	110.5	L93 S94 F96 L168 S250 T253	A54-L93 WeakPolarHBondContact O-CA 3.25Å; A54-S94 PolarHBondContact N-O 3.38Å; A54-S94 PolarHBondContact O-N 3Å; A54-F96 HydrophobicContact CB-CE2 4.06Å; A54-L168 CarbonylContact C-O 3.58Å; A54-L168 WeakPolarHBondContact CA-O 3.43Å; A54-L168 HydrophobicContact CB-CB 4.11Å; A54-L168 HydrophobicContact CB-CD1 4.44Å; A54-S250 WeakPolarHBondContact CB-O 3.32Å; A54-S250 WeakPolarHBondContact O-CB 3.39Å; A54-T253 HydrophobicContact CB-CG2 4.29Å
55	L	98.8	Very high	96.3	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	138.5	-178.4	171.3	66.9	0	0	0	109.7	T57 G92 L93 W167 L168 T169 D175 Y176 L179	L55-T57 HydrophobicContact CD1-CG2 4.02Å; L55-G92 WeakPolarHBondContact CA-O 3.29Å; L55-L93 HydrophobicContact CD1-CD1 4.01Å; L55-W167 HydrophobicContact CB-CE3 3.92Å; L55-W167 HydrophobicContact CB-CZ3 3.96Å; L55-W167 HydrophobicContact CD1-CZ3 4.44Å; L55-W167 HydrophobicContact CD2-CE3 4.24Å; L55-W167 HydrophobicContact CD2-CZ3 4.14Å; L55-W167 HydrophobicContact CG-CZ3 4.41Å; L55-L168 PolarHBondContact N-O 3.1Å; L55-T169 HydrophobicContact CB-CG2 3.97Å; L55-T169 HydrophobicContact CD2-CG2 4.07Å; L55-T169 HydrophobicContact CG-CG2 4.28Å; L55-D175 HydrophobicContact CD2-CB 3.75Å; L55-D175 HydrophobicContact CG-CB 4.02Å; L55-Y176 HydrophobicContact CD2-CD1 4.32Å; L55-Y176 HydrophobicContact CD2-CE1 4.27Å; L55-L179 HydrophobicContact CD1-CD1 3.73Å; L55-L179 HydrophobicContact CD1-CG 4.49Å; L55-L179 HydrophobicContact CD2-CD1 3.44Å; L55-L179 VanDerWaalsContact CD2-CD1 3.44Å; L55-L179 HydrophobicContact CD2-CG 4.33Å; L55-L179 HydrophobicContact CG-CD1 4.24Å
56	D	98.7	Very high	95.8	Very high	21 Å²	21	29.7 Å²	29.7	11%	0.112	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	154.4	165.7	-172.6	90	0	0	0	108.7	G92 D249	D56-G92 PolarHBondContact N-O 2.97Å; D56-G92 PolarHBondContact O-N 3.45Å; D56-D249 HydrophobicContact CB-CB 4.1Å; D56-D249 VanDerWaalsContact CG-CB 3.48Å; D56-D249 WeakPolarHBondContact OD2-CB 3.41Å
57	T	98.6	Very high	95.1	Very high	5 Å²	5	32.5 Å²	32.5	3%	0.031	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	146.9	179.8	71.9	0	0	0	0	113	L55 L88 Q90 A91 D175	L55-T57 HydrophobicContact CD1-CG2 4.02Å; T57-L88 HydrophobicContact CG2-CD1 4.06Å; T57-L88 HydrophobicContact CG2-CD2 4.21Å; T57-Q90 WeakPolarHBondContact CA-O 3.3Å; T57-Q90 WeakPolarHBondContact CB-O 3.28Å; T57-A91 HydrophobicContact CG2-CB 4.22Å; T57-D175 WeakPolarHBondContact CB-OD1 3.38Å; T57-D175 HydrophobicContact CG2-CB 3.88Å; T57-D175 PolarHBondContact N-OD1 3.48Å; T57-D175 PolarHBondContact OG1-OD1 2.76Å
58	E	98.4	Very high	94.5	Very high	21 Å²	21	38.7 Å²	38.7	10%	0.098	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	130.8	170.2	-62.2	-61.3	169.1	0	0	110.1	I89 Q90 L130 H244 A246	E58-I89 WeakPolarHBondContact O-CA 3.16Å; E58-I89 VanDerWaalsContact O-CB 3.32Å; E58-I89 WeakPolarHBondContact O-CB 3.45Å; E58-I89 PolarHBondContact O-N 3.25Å; E58-Q90 HydrophobicContact CB-CB 3.9Å; E58-Q90 HydrophobicContact CG-CB 4.27Å; E58-Q90 PolarHBondContact N-O 3.33Å; E58-Q90 PolarHBondContact O-N 3.17Å; E58-L130 HydrophobicContact CB-CD1 4.49Å; E58-L130 HydrophobicContact CB-CD2 3.95Å; E58-L130 HydrophobicContact CG-CD2 3.91Å; E58-L130 WeakPolarHBondContact OE2-CD2 3.48Å; E58-H244 WeakPolarHBondContact OE1-CA 3.48Å; E58-A246 HydrophobicContact CG-CB 4.26Å
59	F	97.7	Very high	94	Very high	46 Å²	46	38.1 Å²	38.1	20%	0.202	20%	0.198	C	C	.	.			trans	-142.7	161.2	-171.9	65.6	-96	0	0	0	111.6	G61 L88 F174 Y178	F59-G61 PolarHBondContact O-N 3.37Å; F59-L88 HydrophobicContact CB-CD1 4.11Å; F59-F174 HydrophobicContact CD1-CB 4.45Å; F59-F174 HydrophobicContact CE1-CB 3.9Å; F59-F174 HydrophobicContact CE1-CG 4.22Å; F59-F174 HydrophobicContact CE2-CD1 4.27Å; F59-F174 HydrophobicContact CE2-CG 4.39Å; F59-F174 HydrophobicContact CZ-CB 4.14Å; F59-F174 HydrophobicContact CZ-CD1 4.27Å; F59-F174 HydrophobicContact CZ-CD2 4.2Å; F59-F174 AromaticContact CZ-CG 3.93Å; F59-F174 HydrophobicContact CZ-CG 3.93Å; F59-Y178 HydrophobicContact CB-CD2 4.08Å; F59-Y178 HydrophobicContact CB-CE2 3.35Å; F59-Y178 HydrophobicContact CD1-CD2 4.46Å; F59-Y178 AromaticContact CD1-CE2 4Å; F59-Y178 HydrophobicContact CD1-CE2 4Å; F59-Y178 AromaticContact CD2-CE2 3.85Å; F59-Y178 HydrophobicContact CD2-CE2 3.85Å; F59-Y178 HydrophobicContact CG-CD2 4.31Å; F59-Y178 AromaticContact CG-CE2 3.48Å; F59-Y178 HydrophobicContact CG-CE2 3.48Å; F59-Y178 VanDerWaalsContact CG-CE2 3.48Å
60	P	97.4	Very high	93.2	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.175	C	C	.	.			trans	-72.6	11.5	-167	24	-34	0	0	0	116.4	V63 Q87 I89 F115 P121 I122 L123	P60-V63 HydrophobicContact CB-CG1 4.29Å; P60-Q87 WeakPolarHBondContact CD-O 3.17Å; P60-I89 HydrophobicContact CB-CD1 4.3Å; P60-F115 HydrophobicContact CB-CE2 4.43Å; P60-F115 HydrophobicContact CB-CZ 4.17Å; P60-F115 HydrophobicContact CG-CE2 4.34Å; P60-P121 WeakPolarHBondContact CB-O 3.46Å; P60-I122 HydrophobicContact CB-CB 3.86Å; P60-I122 HydrophobicContact CB-CD1 4.41Å; P60-I122 HydrophobicContact CB-CG1 3.81Å; P60-L123 PolarHBondContact O-N 2.94Å
61	G	94.1	Very high	92.1	Very high	15 Å²	15	38.6 Å²	38.6	16%	0.155	21%	0.207	C	C	.	.			trans	80.8	-167	-171.2	0	0	0	0	0	114.2	F59 V63 N82	F59-G61 PolarHBondContact O-N 3.37Å; G61-V63 PolarHBondContact O-N 3.27Å; G61-N82 PolarHBondContact O-ND2 3.07Å; G61-N82 PolarHBondContact O-OD1 3.38Å
62	M	92.6	Very high	91.2	Very high	10 Å²	10	43.1 Å²	43.1	5%	0.049	23%	0.225	C	C	.	.			trans	-88.1	78.7	-177.8	-68.5	-57.4	-66.4	0	0	111.7	T64 L65 R70 W74 N82 F174	M62-T64 PolarHBondContact O-N 2.93Å; M62-L65 HydrophobicContact CE-CD1 3.62Å; M62-L65 HydrophobicContact CE-CG 4.03Å; M62-R70 HydrophobicContact CB-CG 4.16Å; M62-R70 PolarHBondContact O-NE 2.98Å; M62-W74 HydrophobicContact CG-CZ2 4.32Å; M62-N82 VanDerWaalsContact CA-OD1 3.29Å; M62-N82 WeakPolarHBondContact CA-OD1 3.38Å; M62-N82 HydrophobicContact CE-CB 3.85Å; M62-N82 HydrophobicContact SD-CB 4.06Å; M62-F174 HydrophobicContact CE-CZ 4.14Å; M62-F174 HydrophobicContact SD-CE1 3.83Å; M62-F174 HydrophobicContact SD-CE2 4.23Å; M62-F174 HydrophobicContact SD-CZ 3.32Å; M62-F174 WeakPolarHBondContact SD-CZ 3.34Å
63	V	92.7	Very high	90.1	Very high	35 Å²	35	55 Å²	55	21%	0.212	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-21.4	-173.6	-56.4	0	0	0	0	113.8	P60 G61 N82 P121 L123	P60-V63 HydrophobicContact CB-CG1 4.29Å; G61-V63 PolarHBondContact O-N 3.27Å; V63-N82 PolarHBondContact N-OD1 2.96Å; V63-P121 HydrophobicContact CB-CB 4.26Å; V63-P121 HydrophobicContact CG1-CB 4.15Å; V63-P121 HydrophobicContact CG2-CB 4.42Å; V63-P121 HydrophobicContact CG2-CG 4.21Å; V63-L123 HydrophobicContact CG1-CD2 4.4Å; V63-L123 HydrophobicContact CG1-CG 4.27Å
64	T	90.4	Very high	89.3	Confident	53 Å²	53	59.5 Å²	59.5	33%	0.325	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-15.6	-176.7	54.3	0	0	0	0	114.6	M62 N82 H85	M62-T64 PolarHBondContact O-N 2.93Å; T64-N82 PolarHBondContact N-OD1 3.04Å; T64-H85 HydrophobicContact CG2-CB 3.58Å
65	L	87.2	Confident	88.9	Confident	24 Å²	24	63.2 Å²	63.2	13%	0.126	31%	0.31	C	S	.	.	S	Bend	trans	-96.7	143.9	-179.1	-68.4	-178.1	0	0	0	111.7	M62 R70 T78	M62-L65 HydrophobicContact CE-CD1 3.62Å; M62-L65 HydrophobicContact CE-CG 4.03Å; L65-R70 HydrophobicContact CB-CG 4.14Å; L65-R70 PolarHBondContact O-NE 3.28Å; L65-R70 PolarHBondContact O-NH2 2.84Å; L65-T78 HydrophobicContact CD1-CG2 4.24Å; L65-T78 HydrophobicContact CD2-CG2 4.21Å
66	P	85.6	Confident	88.7	Confident	52 Å²	52	64.8 Å²	64.8	34%	0.338	32%	0.316	S	S	.	.			trans	-67.5	152.3	171.7	33.5	-36.8	0	0	0	110.2	E68 E69	P66-E68 VanDerWaalsContact C-N 3.26Å; P66-E68 WeakPolarHBondContact CB-OE1 3.18Å; P66-E68 WeakPolarHBondContact CG-OE1 3.36Å; P66-E68 PolarHBondContact O-N 3.44Å; P66-E68 VanDerWaalsContact O-N 3.1Å; P66-E69 HydrophobicContact CG-CB 4.33Å; P66-E69 HydrophobicContact CG-CG 3.98Å; P66-E69 PolarHBondContact O-N 3.02Å
67	P	82.9	Confident	88.5	Confident	81 Å²	81	67.5 Å²	67.5	53%	0.526	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-49.9	-39.8	-170.5	-29.2	35.6	0	0	0	115.3	E69 R70	P67-E69 PolarHBondContact O-N 3.11Å; P67-R70 PolarHBondContact O-N 3.48Å
68	E	85.8	Confident	88.2	Confident	137 Å²	137	68.5 Å²	68.5	64%	0.64	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-66.8	-16.8	-178.6	64.9	-83.3	-168	0	0	114.5	P66	P66-E68 VanDerWaalsContact C-N 3.26Å; P66-E68 WeakPolarHBondContact CB-OE1 3.18Å; P66-E68 WeakPolarHBondContact CG-OE1 3.36Å; P66-E68 PolarHBondContact O-N 3.44Å; P66-E68 VanDerWaalsContact O-N 3.1Å
69	E	84	Confident	88	Confident	75 Å²	75	68.4 Å²	68.4	35%	0.35	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-105	-12.7	-179	-57.6	-148.4	137	0	0	114	P66 P67 N71 K72	P66-E69 HydrophobicContact CG-CB 4.33Å; P66-E69 HydrophobicContact CG-CG 3.98Å; P66-E69 PolarHBondContact O-N 3.02Å; P67-E69 PolarHBondContact O-N 3.11Å; E69-N71 PolarHBondContact O-N 2.95Å; E69-K72 HydrophobicContact CB-CD 4.23Å; E69-K72 HydrophobicContact CG-CD 4.31Å; E69-K72 WeakPolarHBondContact O-CB 3.45Å; E69-K72 PolarHBondContact O-N 3.12Å; E69-K72 VanDerWaalsContact O-N 3.08Å; E69-K72 IonicContact OE1-NZ 2.82Å; E69-K72 PolarHBondContact OE1-NZ 3.28Å
70	R	80.8	Confident	88	Confident	57 Å²	57	67.1 Å²	67.1	22%	0.215	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-30.2	-174.1	-64.8	177.6	-171.5	163.7	0.8	113.3	M62 L65 P67 W74	M62-R70 HydrophobicContact CB-CG 4.16Å; M62-R70 PolarHBondContact O-NE 2.98Å; L65-R70 HydrophobicContact CB-CG 4.14Å; L65-R70 PolarHBondContact O-NE 3.28Å; L65-R70 PolarHBondContact O-NH2 2.84Å; P67-R70 PolarHBondContact O-N 3.48Å; R70-W74 PolarHBondContact O-NE1 3.45Å
71	N	75.1	Confident	87.9	Confident	162 Å²	162	70.5 Å²	70.5	87%	0.866	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	0.9	-179.4	-64.2	-32.8	0	0	0	114	E69	E69-N71 PolarHBondContact O-N 2.95Å
72	K	79.2	Confident	88	Confident	112 Å²	112	69.8 Å²	69.8	49%	0.487	34%	0.342	S	S	.	.	S	Bend	trans	-79	163.5	178.1	-63.5	-179.9	-174.1	173.4	0	110.8	E69 W74	E69-K72 HydrophobicContact CB-CD 4.23Å; E69-K72 HydrophobicContact CG-CD 4.31Å; E69-K72 WeakPolarHBondContact O-CB 3.45Å; E69-K72 PolarHBondContact O-N 3.12Å; E69-K72 VanDerWaalsContact O-N 3.08Å; E69-K72 IonicContact OE1-NZ 2.82Å; E69-K72 PolarHBondContact OE1-NZ 3.28Å; K72-W74 PolarHBondContact O-N 3.14Å; K72-W74 PolarHBondContact O-NE1 2.73Å; K72-W74 VanDerWaalsContact O-NE1 3.11Å
73	R	74.6	Confident	88.2	Confident	248 Å²	248	69.4 Å²	69.4	94%	0.936	34%	0.34	S	S	*	.	P	Polyproline II helix	trans	-65	123.3	172	-176.3	175.7	-179.9	173	-0.3	109.8
74	W	82.1	Confident	88.4	Confident	95 Å²	95	69.1 Å²	69.1	36%	0.36	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-79.4	142.5	-175.4	-50.2	-41.8	0	0	0	112.6	M62 R70 K72 T78 V79 F174	M62-W74 HydrophobicContact CG-CZ2 4.32Å; R70-W74 PolarHBondContact O-NE1 3.45Å; K72-W74 PolarHBondContact O-N 3.14Å; K72-W74 PolarHBondContact O-NE1 2.73Å; K72-W74 VanDerWaalsContact O-NE1 3.11Å; W74-T78 WeakPolarHBondContact CA-OG1 3.41Å; W74-T78 WeakPolarHBondContact CB-OG1 3.4Å; W74-V79 HydrophobicContact CB-CG2 4.42Å; W74-F174 HydrophobicContact CD2-CE2 4.15Å; W74-F174 HydrophobicContact CE3-CD2 4.29Å; W74-F174 AromaticContact CE3-CE2 3.47Å; W74-F174 HydrophobicContact CE3-CE2 3.47Å; W74-F174 VanDerWaalsContact CE3-CE2 3.47Å; W74-F174 HydrophobicContact CE3-CZ 4.37Å; W74-F174 HydrophobicContact CH2-CE2 4.36Å; W74-F174 HydrophobicContact CZ3-CD2 4.08Å; W74-F174 AromaticContact CZ3-CE2 3.56Å; W74-F174 HydrophobicContact CZ3-CE2 3.56Å
75	T	90.3	Very high	88.7	Confident	78 Å²	78	72 Å²	72	48%	0.479	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-95.6	166.9	169.7	68	0	0	0	0	110.1	D77 T78 V79	T75-D77 VanDerWaalsContact C-N 3.26Å; T75-D77 PolarHBondContact O-N 2.9Å; T75-T78 PolarHBondContact N-OG1 2.89Å; T75-T78 PolarHBondContact O-N 2.69Å; T75-T78 PolarHBondContact O-OG1 2.96Å; T75-T78 PolarHBondContact OG1-N 3.46Å; T75-V79 PolarHBondContact O-N 2.87Å; T75-V79 VanDerWaalsContact O-N 3.17Å
76	Y	94.6	Very high	89.1	Confident	34 Å²	34	71 Å²	71	13%	0.133	34%	0.341	C	S	.	.	H	α-helix	trans	-54.8	-42.8	173.5	175.8	-105.4	0	0	0	112.3	T78 V79 R80 P189 R192 F195	Y76-T78 VanDerWaalsContact C-N 3.32Å; Y76-T78 PolarHBondContact O-N 3.16Å; Y76-V79 PolarHBondContact O-N 3.19Å; Y76-R80 HydrophobicContact CE1-CB 4.21Å; Y76-R80 WeakPolarHBondContact O-CB 3.49Å; Y76-R80 PolarHBondContact O-N 3.15Å; Y76-P189 VanDerWaalsContact CE1-O 3.27Å; Y76-P189 WeakPolarHBondContact CE1-O 3.43Å; Y76-P189 PolarHBondContact OH-O 3.29Å; Y76-R192 HydrophobicContact CD1-CB 4.03Å; Y76-R192 HydrophobicContact CD2-CB 4.24Å; Y76-R192 HydrophobicContact CD2-CG 4.17Å; Y76-R192 HydrophobicContact CG-CB 3.74Å; Y76-R192 HydrophobicContact CG-CG 4.08Å; Y76-F195 HydrophobicContact CD2-CD1 4.49Å; Y76-F195 HydrophobicContact CE2-CB 3.64Å; Y76-F195 AromaticContact CE2-CD1 3.8Å; Y76-F195 HydrophobicContact CE2-CD1 3.8Å; Y76-F195 AromaticContact CE2-CD2 3.95Å; Y76-F195 HydrophobicContact CE2-CD2 3.95Å; Y76-F195 HydrophobicContact CE2-CE1 4.46Å; Y76-F195 AromaticContact CE2-CG 3.5Å; Y76-F195 HydrophobicContact CE2-CG 3.5Å; Y76-F195 AromaticContact CZ-CG 3.87Å; Y76-F195 WeakPolarHBondContact OH-CB 3.24Å
77	D	93.6	Very high	89.7	Confident	77 Å²	77	71.5 Å²	71.5	41%	0.412	34%	0.339	S	S	.	.	H	α-helix	trans	-61.5	-38.7	178.8	-74.1	-50.7	0	0	0	113	T75 R80 L81	T75-D77 VanDerWaalsContact C-N 3.26Å; T75-D77 PolarHBondContact O-N 2.9Å; D77-R80 PolarHBondContact O-N 2.93Å; D77-R80 IonicContact OD1-CZ 3.58Å; D77-R80 IonicContact OD1-NE 3.42Å; D77-R80 IonicContact OD1-NH2 3.67Å; D77-R80 PolarHBondContact OD1-NH2 3.25Å; D77-L81 WeakPolarHBondContact O-CB 3.29Å; D77-L81 VanDerWaalsContact O-CG 3.28Å; D77-L81 WeakPolarHBondContact O-CG 3.49Å; D77-L81 PolarHBondContact O-N 3.49Å
78	T	92.7	Very high	90.5	Very high	27 Å²	27	67.7 Å²	67.7	17%	0.166	31%	0.314	C	S	.	.	H	α-helix	trans	-65.7	-41	176.3	56.2	0	0	0	0	112.1	L65 W74 T75 Y76 N82	L65-T78 HydrophobicContact CD1-CG2 4.24Å; L65-T78 HydrophobicContact CD2-CG2 4.21Å; W74-T78 WeakPolarHBondContact CA-OG1 3.41Å; W74-T78 WeakPolarHBondContact CB-OG1 3.4Å; T75-T78 PolarHBondContact N-OG1 2.89Å; T75-T78 PolarHBondContact O-N 2.69Å; T75-T78 PolarHBondContact O-OG1 2.96Å; T75-T78 PolarHBondContact OG1-N 3.46Å; Y76-T78 VanDerWaalsContact C-N 3.32Å; Y76-T78 PolarHBondContact O-N 3.16Å; T78-N82 VanDerWaalsContact O-CB 3.31Å; T78-N82 WeakPolarHBondContact O-CB 3.49Å; T78-N82 PolarHBondContact O-N 3.07Å; T78-N82 VanDerWaalsContact O-N 3.14Å
79	V	94.8	Very high	91.1	Very high	19 Å²	19	61.2 Å²	61.2	12%	0.115	28%	0.283	C	S	.	.	H	α-helix	trans	-63.5	-51	175.1	176.4	0	0	0	0	110	W74 T75 Y76 N82 V83 F174 A177	W74-V79 HydrophobicContact CB-CG2 4.42Å; T75-V79 PolarHBondContact O-N 2.87Å; T75-V79 VanDerWaalsContact O-N 3.17Å; Y76-V79 PolarHBondContact O-N 3.19Å; V79-N82 PolarHBondContact O-N 2.98Å; V79-V83 HydrophobicContact CG1-CG2 4.43Å; V79-V83 WeakPolarHBondContact O-CG2 3.47Å; V79-V83 PolarHBondContact O-N 3.33Å; V79-F174 HydrophobicContact CB-CE1 4.19Å; V79-F174 HydrophobicContact CB-CZ 4.06Å; V79-F174 HydrophobicContact CG1-CD1 3.93Å; V79-F174 HydrophobicContact CG1-CE1 3.8Å; V79-F174 HydrophobicContact CG1-CE2 4.42Å; V79-F174 HydrophobicContact CG1-CG 4.3Å; V79-F174 HydrophobicContact CG1-CZ 4.05Å; V79-F174 HydrophobicContact CG2-CD2 4.44Å; V79-F174 HydrophobicContact CG2-CE1 4.27Å; V79-F174 HydrophobicContact CG2-CE2 3.77Å; V79-F174 HydrophobicContact CG2-CZ 3.67Å; V79-A177 HydrophobicContact CG1-CB 3.82Å
80	R	96.7	Very high	91.8	Very high	19 Å²	19	57.7 Å²	57.7	7%	0.072	27%	0.267	C	S	.	.	H	α-helix	trans	-56.8	-54.4	-178.4	176.1	175	65.1	64.2	6.9	111.8	Y76 D77 N82 V83 E84 L188 P189	Y76-R80 HydrophobicContact CE1-CB 4.21Å; Y76-R80 WeakPolarHBondContact O-CB 3.49Å; Y76-R80 PolarHBondContact O-N 3.15Å; D77-R80 PolarHBondContact O-N 2.93Å; D77-R80 IonicContact OD1-CZ 3.58Å; D77-R80 IonicContact OD1-NE 3.42Å; D77-R80 IonicContact OD1-NH2 3.67Å; D77-R80 PolarHBondContact OD1-NH2 3.25Å; R80-N82 VanDerWaalsContact C-N 3.27Å; R80-N82 PolarHBondContact O-N 3.4Å; R80-V83 PolarHBondContact O-N 3.13Å; R80-E84 HydrophobicContact CG-CG 4.44Å; R80-E84 VanDerWaalsContact CG-OE1 3.26Å; R80-E84 WeakPolarHBondContact CG-OE1 3.37Å; R80-E84 IonicContact NH1-OE1 3.41Å; R80-E84 IonicContact NH1-OE2 3.67Å; R80-E84 PolarHBondContact NH1-OE2 3.11Å; R80-E84 VanDerWaalsContact NH1-OE2 3.08Å; R80-E84 WeakPolarHBondContact O-CG 3.46Å; R80-E84 PolarHBondContact O-N 2.6Å; R80-L188 HydrophobicContact CG-CB 3.98Å; R80-L188 HydrophobicContact CG-CD1 4.33Å; R80-P189 VanDerWaalsContact CD-O 3.26Å; R80-P189 WeakPolarHBondContact CD-O 3.42Å
81	L	95.3	Very high	92.6	Very high	71 Å²	71	55 Å²	55	37%	0.372	26%	0.257	S	S	.	.	H	α-helix	trans	-60.4	-40	-179.3	-72.9	171	0	0	0	111.2	D77 E84 H85	D77-L81 WeakPolarHBondContact O-CB 3.29Å; D77-L81 VanDerWaalsContact O-CG 3.28Å; D77-L81 WeakPolarHBondContact O-CG 3.49Å; D77-L81 PolarHBondContact O-N 3.49Å; L81-E84 PolarHBondContact O-N 2.83Å; L81-H85 PolarHBondContact O-N 3.4Å; L81-H85 PolarHBondContact O-ND1 2.83Å
82	N	96.4	Very high	93.7	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-63	-46.9	177.3	-167.2	69	0	0	0	112.2	G61 M62 V63 T64 T78 V79 R80 E84 H85 S86 F174 Y178	G61-N82 PolarHBondContact O-ND2 3.07Å; G61-N82 PolarHBondContact O-OD1 3.38Å; M62-N82 VanDerWaalsContact CA-OD1 3.29Å; M62-N82 WeakPolarHBondContact CA-OD1 3.38Å; M62-N82 HydrophobicContact CE-CB 3.85Å; M62-N82 HydrophobicContact SD-CB 4.06Å; V63-N82 PolarHBondContact N-OD1 2.96Å; T64-N82 PolarHBondContact N-OD1 3.04Å; T78-N82 VanDerWaalsContact O-CB 3.31Å; T78-N82 WeakPolarHBondContact O-CB 3.49Å; T78-N82 PolarHBondContact O-N 3.07Å; T78-N82 VanDerWaalsContact O-N 3.14Å; V79-N82 PolarHBondContact O-N 2.98Å; R80-N82 VanDerWaalsContact C-N 3.27Å; R80-N82 PolarHBondContact O-N 3.4Å; N82-E84 VanDerWaalsContact C-N 3.35Å; N82-E84 PolarHBondContact O-N 2.67Å; N82-H85 PolarHBondContact O-N 3.23Å; N82-S86 VanDerWaalsContact O-CB 3.29Å; N82-S86 WeakPolarHBondContact O-CB 3.17Å; N82-S86 PolarHBondContact O-N 3.01Å; N82-S86 VanDerWaalsContact O-N 3.1Å; N82-S86 PolarHBondContact O-OG 3.43Å; N82-F174 HydrophobicContact CB-CE1 4.27Å; N82-Y178 PolarHBondContact ND2-OH 3.45Å
83	V	97.7	Very high	94.7	Very high	1 Å²	1	42 Å²	42	1%	0.006	19%	0.193	C	C	.	.	H	α-helix	trans	-64.6	-38.6	179.3	170.2	0	0	0	0	111.7	V79 R80 H85 F174 A177 Y178 R181 L188	V79-V83 HydrophobicContact CG1-CG2 4.43Å; V79-V83 WeakPolarHBondContact O-CG2 3.47Å; V79-V83 PolarHBondContact O-N 3.33Å; R80-V83 PolarHBondContact O-N 3.13Å; V83-H85 VanDerWaalsContact C-N 3.27Å; V83-H85 PolarHBondContact O-N 3.15Å; V83-F174 HydrophobicContact CG2-CD1 4.12Å; V83-F174 HydrophobicContact CG2-CE1 4.41Å; V83-A177 HydrophobicContact CG2-CB 3.85Å; V83-Y178 HydrophobicContact CB-CD1 4.35Å; V83-Y178 HydrophobicContact CB-CE1 4.24Å; V83-Y178 HydrophobicContact CG1-CD1 3.81Å; V83-Y178 HydrophobicContact CG1-CE1 4.13Å; V83-Y178 HydrophobicContact CG1-CG 4.27Å; V83-Y178 HydrophobicContact CG2-CD1 4.05Å; V83-Y178 HydrophobicContact CG2-CD2 3.96Å; V83-Y178 HydrophobicContact CG2-CE1 3.95Å; V83-Y178 HydrophobicContact CG2-CE2 3.86Å; V83-Y178 HydrophobicContact CG2-CG 4.04Å; V83-R181 HydrophobicContact CG1-CB 3.66Å; V83-R181 HydrophobicContact CG1-CG 4.01Å; V83-L188 HydrophobicContact CB-CD1 4.18Å; V83-L188 HydrophobicContact CG1-CD1 3.96Å
84	E	96.3	Very high	95.8	Very high	30 Å²	30	30.2 Å²	30.2	14%	0.14	15%	0.148	C	C	.	.	H	α-helix	trans	-65.2	-27.8	177.1	-74.5	170.6	-178.3	0	0	113.1	R80 L81 N82 L188 R190	R80-E84 HydrophobicContact CG-CG 4.44Å; R80-E84 VanDerWaalsContact CG-OE1 3.26Å; R80-E84 WeakPolarHBondContact CG-OE1 3.37Å; R80-E84 IonicContact NH1-OE1 3.41Å; R80-E84 IonicContact NH1-OE2 3.67Å; R80-E84 PolarHBondContact NH1-OE2 3.11Å; R80-E84 VanDerWaalsContact NH1-OE2 3.08Å; R80-E84 WeakPolarHBondContact O-CG 3.46Å; R80-E84 PolarHBondContact O-N 2.6Å; L81-E84 PolarHBondContact O-N 2.83Å; N82-E84 VanDerWaalsContact C-N 3.35Å; N82-E84 PolarHBondContact O-N 2.67Å; E84-L188 PolarHBondContact OE1-N 3.3Å; E84-R190 IonicContact OE1-NH1 2.87Å; E84-R190 IonicContact OE2-NH1 2.81Å
85	H	96	Very high	96.6	Very high	114 Å²	114	25.7 Å²	25.7	53%	0.528	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.8	10.6	-176.2	-65.2	82.2	0	0	0	114	T64 L81 N82 V83 P121	T64-H85 HydrophobicContact CG2-CB 3.58Å; L81-H85 PolarHBondContact O-N 3.4Å; L81-H85 PolarHBondContact O-ND1 2.83Å; N82-H85 PolarHBondContact O-N 3.23Å; V83-H85 VanDerWaalsContact C-N 3.27Å; V83-H85 PolarHBondContact O-N 3.15Å; H85-P121 VanDerWaalsContact O-CG 3.28Å; H85-P121 WeakPolarHBondContact O-CG 3.19Å
86	S	97.3	Very high	97	Very high	2 Å²	2	22 Å²	22	1%	0.014	11%	0.108	C	C	.	.	S	Bend	trans	-139.2	179.6	179	67.6	0	0	0	0	110.7	N82 Y178	N82-S86 VanDerWaalsContact O-CB 3.29Å; N82-S86 WeakPolarHBondContact O-CB 3.17Å; N82-S86 PolarHBondContact O-N 3.01Å; N82-S86 VanDerWaalsContact O-N 3.1Å; N82-S86 PolarHBondContact O-OG 3.43Å; S86-Y178 WeakPolarHBondContact OG-CE1 3.26Å; S86-Y178 PolarHBondContact OG-OH 3.27Å
87	Q	97.7	Very high	97.1	Very high	63 Å²	63	20.9 Å²	20.9	29%	0.294	11%	0.106	S	C	.	.			trans	-133.6	133.5	-175.1	-64.4	-63.9	-56.4	0	0	109.7	P60 I89 F115 R147	P60-Q87 WeakPolarHBondContact CD-O 3.17Å; Q87-I89 PolarHBondContact O-N 2.93Å; Q87-F115 HydrophobicContact CB-CD2 4.09Å; Q87-F115 HydrophobicContact CB-CE2 3.98Å; Q87-F115 WeakPolarHBondContact O-CE2 3.1Å; Q87-R147 VanDerWaalsContact OE1-CZ 3.23Å
88	L	98.5	Very high	97.2	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.005	10%	0.103	C	C	.	.			trans	-61.8	133.5	175.4	-167.5	65.2	0	0	0	110.5	T57 F59 A91 F113 R147 Y178 L179 I182	T57-L88 HydrophobicContact CG2-CD1 4.06Å; T57-L88 HydrophobicContact CG2-CD2 4.21Å; F59-L88 HydrophobicContact CB-CD1 4.11Å; L88-A91 HydrophobicContact CD2-CB 4.16Å; L88-F113 HydrophobicContact CB-CD2 4.45Å; L88-F113 HydrophobicContact CD2-CD2 4.12Å; L88-F113 HydrophobicContact CD2-CE2 3.66Å; L88-F113 HydrophobicContact CD2-CZ 4.4Å; L88-F113 HydrophobicContact CG-CD2 4.25Å; L88-F113 HydrophobicContact CG-CE2 4.27Å; L88-R147 PolarHBondContact O-NH2 3.3Å; L88-Y178 HydrophobicContact CB-CD1 3.88Å; L88-Y178 HydrophobicContact CB-CG 4.14Å; L88-Y178 HydrophobicContact CD1-CD1 4.08Å; L88-Y178 HydrophobicContact CD1-CD2 3.71Å; L88-Y178 HydrophobicContact CD1-CE2 4.38Å; L88-Y178 HydrophobicContact CD1-CG 3.55Å; L88-Y178 HydrophobicContact CG-CG 4.34Å; L88-L179 HydrophobicContact CD2-CD2 4.4Å; L88-I182 HydrophobicContact CB-CD1 3.93Å; L88-I182 HydrophobicContact CD2-CD1 3.74Å; L88-I182 HydrophobicContact CG-CD1 4.5Å
89	I	98.7	Very high	97.1	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.123	C	C	.	.			trans	-90	-50.7	-178.8	-62.2	165.3	0	0	0	109.2	E58 P60 Q87 F113 F115 I122 L130 L135 F137 F140	E58-I89 WeakPolarHBondContact O-CA 3.16Å; E58-I89 VanDerWaalsContact O-CB 3.32Å; E58-I89 WeakPolarHBondContact O-CB 3.45Å; E58-I89 PolarHBondContact O-N 3.25Å; P60-I89 HydrophobicContact CB-CD1 4.3Å; Q87-I89 PolarHBondContact O-N 2.93Å; I89-F113 PolarHBondContact O-N 3.19Å; I89-F115 HydrophobicContact CD1-CE2 4.22Å; I89-F115 HydrophobicContact CD1-CZ 4.38Å; I89-F115 HydrophobicContact CG1-CD2 3.57Å; I89-F115 HydrophobicContact CG1-CE2 3.62Å; I89-F115 HydrophobicContact CG1-CG 4.13Å; I89-F115 HydrophobicContact CG1-CZ 4.23Å; I89-I122 HydrophobicContact CD1-CD1 3.94Å; I89-L130 HydrophobicContact CD1-CD1 3.49Å; I89-L130 VanDerWaalsContact CD1-CD1 3.49Å; I89-L135 HydrophobicContact CG2-CD2 3.58Å; I89-F137 HydrophobicContact CD1-CE1 4.13Å; I89-F137 HydrophobicContact CD1-CZ 4.32Å; I89-F137 HydrophobicContact CG2-CE1 4.34Å; I89-F140 HydrophobicContact CG2-CD1 3.85Å; I89-F140 HydrophobicContact CG2-CE1 3.52Å; I89-F140 HydrophobicContact CG2-CZ 4.1Å; I89-F140 VanDerWaalsContact O-CE1 3.29Å; I89-F140 WeakPolarHBondContact O-CE1 3.48Å
90	Q	98.7	Very high	97.1	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.009	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	149.7	-176.8	-153.8	177.9	41.8	0	0	111.5	T57 E58 Q110 F111 N112 A246	T57-Q90 WeakPolarHBondContact CA-O 3.3Å; T57-Q90 WeakPolarHBondContact CB-O 3.28Å; E58-Q90 HydrophobicContact CB-CB 3.9Å; E58-Q90 HydrophobicContact CG-CB 4.27Å; E58-Q90 PolarHBondContact N-O 3.33Å; E58-Q90 PolarHBondContact O-N 3.17Å; Q90-Q110 VanDerWaalsContact CD-CG 3.46Å; Q90-Q110 HydrophobicContact CG-CG 3.84Å; Q90-F111 VanDerWaalsContact CA-O 3.26Å; Q90-F111 WeakPolarHBondContact CA-O 3.27Å; Q90-F111 VanDerWaalsContact CG-O 3.23Å; Q90-F111 WeakPolarHBondContact CG-O 3.48Å; Q90-N112 PolarHBondContact NE2-OD1 3.05Å; Q90-A246 HydrophobicContact CB-CB 4.08Å; Q90-A246 HydrophobicContact CG-CB 3.97Å
91	A	98.8	Very high	97	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	138.9	166.2	0	0	0	0	0	110.1	T57 L88 L93 Q110 F111 F113	T57-A91 HydrophobicContact CG2-CB 4.22Å; L88-A91 HydrophobicContact CD2-CB 4.16Å; A91-L93 HydrophobicContact CB-CD1 4.34Å; A91-Q110 CarbonylContact O-C 3.55Å; A91-Q110 WeakPolarHBondContact O-CA 3.47Å; A91-F111 HydrophobicContact CB-CB 4.5Å; A91-F111 PolarHBondContact N-O 3.34Å; A91-F111 PolarHBondContact O-N 3.15Å; A91-F113 HydrophobicContact CB-CE2 3.78Å; A91-F113 HydrophobicContact CB-CZ 4.33Å
92	G	98.6	Very high	97.1	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	126.6	177.3	0	0	0	0	0	110.5	L55 D56 W109 A246 S250	L55-G92 WeakPolarHBondContact CA-O 3.29Å; D56-G92 PolarHBondContact N-O 2.97Å; D56-G92 PolarHBondContact O-N 3.45Å; G92-W109 CarbonylContact C-O 3.53Å; G92-W109 WeakPolarHBondContact CA-O 3.38Å; G92-A246 WeakPolarHBondContact CA-O 3.35Å; G92-A246 VanDerWaalsContact N-CB 3.26Å; G92-S250 VanDerWaalsContact O-CB 3.29Å; G92-S250 WeakPolarHBondContact O-CB 3.28Å
93	L	98.8	Very high	97	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.005	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	110.5	175.8	-77.5	65.4	0	0	0	108.2	V53 A54 L55 A91 F95 T108 W109 F111 L154 W167	V53-L93 HydrophobicContact CG1-CB 4.23Å; V53-L93 HydrophobicContact CG1-CD2 4.45Å; V53-L93 HydrophobicContact CG1-CG 4.2Å; A54-L93 WeakPolarHBondContact O-CA 3.25Å; L55-L93 HydrophobicContact CD1-CD1 4.01Å; A91-L93 HydrophobicContact CB-CD1 4.34Å; L93-F95 HydrophobicContact CB-CE2 3.82Å; L93-F95 HydrophobicContact CB-CZ 4.25Å; L93-F95 HydrophobicContact CD2-CZ 4.42Å; L93-T108 CarbonylContact O-C 3.57Å; L93-T108 VanDerWaalsContact O-CA 3.29Å; L93-T108 WeakPolarHBondContact O-CA 3.48Å; L93-W109 PolarHBondContact N-O 2.89Å; L93-W109 PolarHBondContact O-N 2.88Å; L93-F111 HydrophobicContact CB-CE2 4.46Å; L93-F111 HydrophobicContact CD1-CD2 4.02Å; L93-F111 HydrophobicContact CD1-CE2 3.87Å; L93-F111 HydrophobicContact CD2-CE2 4.15Å; L93-F111 HydrophobicContact CG-CE2 4.38Å; L93-L154 HydrophobicContact CD2-CD1 4.36Å; L93-W167 HydrophobicContact CD2-CH2 4.07Å; L93-W167 HydrophobicContact CG-CH2 4.45Å; L93-W167 HydrophobicContact CG-CZ3 4.4Å
94	S	98.6	Very high	96.9	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	127.5	177.4	-68.4	0	0	0	0	110.5	V53 A54 T108 S250 M251	V53-S94 WeakPolarHBondContact CA-O 3.49Å; A54-S94 PolarHBondContact N-O 3.38Å; A54-S94 PolarHBondContact O-N 3Å; S94-T108 WeakPolarHBondContact CB-OG1 3.41Å; S94-T108 WeakPolarHBondContact OG-CB 3.35Å; S94-T108 WeakPolarHBondContact OG-CG2 3.43Å; S94-T108 PolarHBondContact OG-OG1 2.82Å; S94-S250 PolarHBondContact OG-OG 3.4Å; S94-M251 WeakPolarHBondContact OG-CA 3.33Å; S94-M251 PolarHBondContact OG-N 3.49Å; S94-M251 VanDerWaalsContact OG-N 3.11Å
95	F	98.6	Very high	96.8	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	138.1	-172	-67	-99.5	0	0	0	111.6	L43 V46 V47 Y50 I52 V53 L93 P103 N107 W109 V159	L43-F95 HydrophobicContact CB-CE2 4.3Å; L43-F95 HydrophobicContact CB-CZ 4.17Å; L43-F95 HydrophobicContact CD1-CZ 3.99Å; V46-F95 HydrophobicContact CG1-CB 3.76Å; V46-F95 HydrophobicContact CG1-CD1 4.06Å; V46-F95 HydrophobicContact CG1-CD2 4.48Å; V46-F95 HydrophobicContact CG1-CG 3.84Å; V47-F95 HydrophobicContact CB-CD1 4.3Å; V47-F95 HydrophobicContact CB-CE1 3.89Å; V47-F95 HydrophobicContact CG2-CD1 4.48Å; V47-F95 HydrophobicContact CG2-CE1 4.06Å; Y50-F95 WeakPolarHBondContact O-CD1 3.48Å; I52-F95 CarbonylContact O-C 3.47Å; V53-F95 HydrophobicContact CG1-CE1 4.39Å; V53-F95 HydrophobicContact CG1-CZ 4.4Å; V53-F95 HydrophobicContact CG2-CD1 3.73Å; V53-F95 HydrophobicContact CG2-CE1 3.58Å; V53-F95 HydrophobicContact CG2-CZ 4.36Å; L93-F95 HydrophobicContact CB-CE2 3.82Å; L93-F95 HydrophobicContact CB-CZ 4.25Å; L93-F95 HydrophobicContact CD2-CZ 4.42Å; F95-P103 HydrophobicContact CB-CG 4.25Å; F95-P103 WeakPolarHBondContact O-CD 3.43Å; F95-N107 PolarHBondContact N-O 3.11Å; F95-W109 AromaticContact CD2-CE3 3.61Å; F95-W109 HydrophobicContact CD2-CE3 3.61Å; F95-W109 AromaticContact CD2-CZ3 3.71Å; F95-W109 HydrophobicContact CD2-CZ3 3.71Å; F95-W109 HydrophobicContact CE2-CD2 4.44Å; F95-W109 AromaticContact CE2-CE3 3.57Å; F95-W109 HydrophobicContact CE2-CE3 3.57Å; F95-W109 HydrophobicContact CE2-CZ3 4.04Å; F95-V159 HydrophobicContact CE1-CG2 4.12Å; F95-V159 HydrophobicContact CZ-CG2 4.34Å
96	F	98.2	Very high	96.8	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	149.6	179.4	-57.5	-100.2	0	0	0	110.7	Y50 I52 A54 E101 Q102 L255 F258	Y50-F96 CarbonylContact C-O 3.02Å; Y50-F96 WeakPolarHBondContact CA-O 3.42Å; I52-F96 HydrophobicContact CB-CB 4.1Å; I52-F96 WeakPolarHBondContact CB-O 3.39Å; I52-F96 PolarHBondContact N-O 2.84Å; I52-F96 PolarHBondContact O-N 3.39Å; A54-F96 HydrophobicContact CB-CE2 4.06Å; F96-E101 CarbonylContact C-O 3.48Å; F96-E101 VanDerWaalsContact CA-O 3.26Å; F96-E101 WeakPolarHBondContact CA-O 3.33Å; F96-Q102 HydrophobicContact CD1-CG 3.55Å; F96-Q102 HydrophobicContact CE1-CG 3.39Å; F96-Q102 HydrophobicContact CG-CG 4.35Å; F96-Q102 HydrophobicContact CZ-CG 4.07Å; F96-L255 HydrophobicContact CE1-CD2 4.01Å; F96-L255 HydrophobicContact CE1-CG 4.29Å; F96-L255 HydrophobicContact CZ-CG 4.46Å; F96-F258 HydrophobicContact CB-CD2 4.38Å; F96-F258 HydrophobicContact CB-CE2 3.44Å; F96-F258 VanDerWaalsContact CB-CE2 3.44Å; F96-F258 HydrophobicContact CB-CZ 3.9Å; F96-F258 HydrophobicContact CD1-CD2 4.09Å; F96-F258 AromaticContact CD1-CE2 3.95Å; F96-F258 HydrophobicContact CD1-CE2 3.95Å; F96-F258 HydrophobicContact CD2-CE2 4.36Å; F96-F258 HydrophobicContact CG-CD2 4.26Å; F96-F258 AromaticContact CG-CE2 3.68Å; F96-F258 HydrophobicContact CG-CE2 3.68Å
97	S	97	Very high	96.9	Very high	12 Å²	12	37.4 Å²	37.4	8%	0.084	20%	0.204	C	C	.	.			trans	-71.8	170.5	169.9	72.6	0	0	0	0	110	T99 G100 E101 F258	S97-T99 PolarHBondContact O-N 2.87Å; S97-T99 VanDerWaalsContact O-N 3.1Å; S97-T99 PolarHBondContact OG-N 3.31Å; S97-T99 PolarHBondContact OG-OG1 2.93Å; S97-G100 PolarHBondContact O-N 3.35Å; S97-G100 PolarHBondContact OG-N 3.44Å; S97-E101 PolarHBondContact N-O 3.2Å; S97-E101 WeakPolarHBondContact OG-CB 3.38Å; S97-E101 PolarHBondContact OG-N 3.06Å; S97-F258 VanDerWaalsContact O-CZ 3.22Å; S97-F258 WeakPolarHBondContact O-CZ 3.38Å
98	E	94.9	Very high	96.9	Very high	77 Å²	77	34.4 Å²	34.4	36%	0.36	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-23.2	171.9	-65.4	-66.1	165.4	0	0	113	P51 K166 R261 L271	P51-E98 HydrophobicContact CG-CG 4.29Å; P51-E98 WeakPolarHBondContact CG-OE1 3.35Å; E98-K166 VanDerWaalsContact CD-NZ 3.26Å; E98-K166 IonicContact OE1-NZ 2.6Å; E98-K166 PolarHBondContact OE1-NZ 2.99Å; E98-K166 IonicContact OE2-NZ 3.15Å; E98-K166 PolarHBondContact OE2-NZ 2.98Å; E98-K166 VanDerWaalsContact OE2-NZ 3.15Å; E98-R261 VanDerWaalsContact O-CZ 3.23Å; E98-R261 PolarHBondContact O-NH1 2.82Å; E98-R261 PolarHBondContact O-NH2 3.1Å; E98-L271 WeakPolarHBondContact OE2-CD1 3.48Å
99	T	92.5	Very high	96.9	Very high	96 Å²	96	34.4 Å²	34.4	59%	0.589	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-10.7	178.6	52.9	0	0	0	0	113.4	S97 R261	S97-T99 PolarHBondContact O-N 2.87Å; S97-T99 VanDerWaalsContact O-N 3.1Å; S97-T99 PolarHBondContact OG-N 3.31Å; S97-T99 PolarHBondContact OG-OG1 2.93Å; T99-R261 PolarHBondContact O-NH2 3.46Å
100	G	93.5	Very high	96.9	Very high	21 Å²	21	34.4 Å²	34.4	22%	0.216	19%	0.191	C	C	.	.	S	Bend	trans	98.9	12.5	179.3	0	0	0	0	0	115	S97 F258	S97-G100 PolarHBondContact O-N 3.35Å; S97-G100 PolarHBondContact OG-N 3.44Å; G100-F258 VanDerWaalsContact CA-CG 3.5Å; G100-F258 VanDerWaalsContact CA-CZ 3.44Å
101	E	95	Very high	96.9	Very high	127 Å²	127	34.3 Å²	34.3	59%	0.593	19%	0.19	S	C	*	.	P	Polyproline II helix	trans	-83.2	138.6	175.7	-62.6	171.4	170.8	0	0	110.2	Y50 F96 S97	Y50-E101 WeakPolarHBondContact CD1-O 3.48Å; F96-E101 CarbonylContact C-O 3.48Å; F96-E101 VanDerWaalsContact CA-O 3.26Å; F96-E101 WeakPolarHBondContact CA-O 3.33Å; S97-E101 PolarHBondContact N-O 3.2Å; S97-E101 WeakPolarHBondContact OG-CB 3.38Å; S97-E101 PolarHBondContact OG-N 3.06Å
102	Q	96.7	Very high	96.9	Very high	36 Å²	36	34.5 Å²	34.5	17%	0.168	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-89	152.1	172.5	-67.3	-171.2	-77.7	0	0	110.9	F96 N107	F96-Q102 HydrophobicContact CD1-CG 3.55Å; F96-Q102 HydrophobicContact CE1-CG 3.39Å; F96-Q102 HydrophobicContact CG-CG 4.35Å; F96-Q102 HydrophobicContact CZ-CG 4.07Å; Q102-N107 HydrophobicContact CB-CB 3.98Å
103	P	96	Very high	96.9	Very high	9 Å²	9	34.5 Å²	34.5	6%	0.058	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-56.1	144.3	172.3	-16.9	22.4	0	0	0	113.1	V46 Y50 F95 K106 N107	V46-P103 HydrophobicContact CG1-CB 4.41Å; V46-P103 HydrophobicContact CG1-CG 3.54Å; Y50-P103 VanDerWaalsContact CD1-CD 3.5Å; Y50-P103 HydrophobicContact CD1-CG 3.75Å; Y50-P103 HydrophobicContact CD2-CB 4.17Å; Y50-P103 HydrophobicContact CD2-CG 3.64Å; Y50-P103 HydrophobicContact CE1-CB 4.23Å; Y50-P103 HydrophobicContact CE1-CG 3.96Å; Y50-P103 HydrophobicContact CE2-CB 3.84Å; Y50-P103 HydrophobicContact CE2-CG 3.83Å; Y50-P103 HydrophobicContact CG-CG 3.61Å; Y50-P103 VanDerWaalsContact CZ-CA 3.5Å; F95-P103 HydrophobicContact CB-CG 4.25Å; F95-P103 WeakPolarHBondContact O-CD 3.43Å; P103-K106 WeakPolarHBondContact CB-O 3.34Å; P103-N107 HydrophobicContact CB-CB 4.31Å; P103-N107 HydrophobicContact CG-CB 4.13Å
104	E	94	Very high	96.9	Very high	188 Å²	188	39.4 Å²	39.4	88%	0.879	21%	0.212	S	C	*	.	S	Bend	trans	-67.2	137.3	168	-66.8	-174.2	175.9	0	0	110.9	K106	E104-K106 PolarHBondContact O-N 3.27Å
105	G	94.8	Very high	96.9	Very high	60 Å²	60	39.4 Å²	39.4	62%	0.619	21%	0.212	S	C	*	.	S	Bend	trans	77.8	-109.1	-176.6	0	0	0	0	0	112	G27	G27-G105 WeakPolarHBondContact CA-O 3.21Å
106	K	97	Very high	96.9	Very high	80 Å²	80	41.6 Å²	41.6	35%	0.348	23%	0.225	S	C	.	.			trans	-81.1	116.3	-178.7	-61.4	-179.8	171.5	-173.6	0	110.1	V29 E39 P103 E104 W109	V29-K106 HydrophobicContact CG2-CB 3.81Å; V29-K106 HydrophobicContact CG2-CD 3.78Å; V29-K106 HydrophobicContact CG2-CG 3.53Å; E39-K106 IonicContact OE1-NZ 2.76Å; E39-K106 PolarHBondContact OE1-NZ 2.89Å; E39-K106 IonicContact OE2-NZ 2.72Å; E39-K106 PolarHBondContact OE2-NZ 3.04Å; P103-K106 WeakPolarHBondContact CB-O 3.34Å; E104-K106 PolarHBondContact O-N 3.27Å; K106-W109 HydrophobicContact CB-CH2 3.69Å; K106-W109 HydrophobicContact CB-CZ2 3.79Å; K106-W109 HydrophobicContact CD-CZ2 4.13Å; K106-W109 WeakPolarHBondContact O-CH2 3.06Å
107	N	97.6	Very high	96.9	Very high	12 Å²	12	45.2 Å²	45.2	6%	0.064	24%	0.244	C	C	.	.			trans	-125.6	-19.8	-178.7	53.9	42.3	0	0	0	114.2	Y26 G27 F95 Q102 P103 M251	Y26-N107 PolarHBondContact O-ND2 2.76Å; Y26-N107 PolarHBondContact O-OD1 3.46Å; G27-N107 PolarHBondContact O-N 3.21Å; G27-N107 PolarHBondContact O-OD1 2.91Å; F95-N107 PolarHBondContact N-O 3.11Å; Q102-N107 HydrophobicContact CB-CB 3.98Å; P103-N107 HydrophobicContact CB-CB 4.31Å; P103-N107 HydrophobicContact CG-CB 4.13Å; N107-M251 WeakPolarHBondContact OD1-CE 3.29Å
108	T	98.5	Very high	96.8	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	129.2	-175.1	-66.5	0	0	0	0	110	G27 I28 V29 L93 S94 G247 M251	G27-T108 PolarHBondContact O-N 2.89Å; I28-T108 CarbonylContact C-O 3.35Å; I28-T108 WeakPolarHBondContact CA-O 3.19Å; I28-T108 HydrophobicContact CG1-CG2 4.13Å; I28-T108 HydrophobicContact CG2-CG2 4.36Å; V29-T108 PolarHBondContact N-O 3.35Å; L93-T108 CarbonylContact O-C 3.57Å; L93-T108 VanDerWaalsContact O-CA 3.29Å; L93-T108 WeakPolarHBondContact O-CA 3.48Å; S94-T108 WeakPolarHBondContact CB-OG1 3.41Å; S94-T108 WeakPolarHBondContact OG-CB 3.35Å; S94-T108 WeakPolarHBondContact OG-CG2 3.43Å; S94-T108 PolarHBondContact OG-OG1 2.82Å; T108-G247 WeakPolarHBondContact CG2-O 3.32Å; T108-M251 WeakPolarHBondContact OG1-CE 3.29Å
109	W	98.7	Very high	96.9	Very high	1 Å²	1	50.5 Å²	50.5	0%	0.004	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	121	176.6	-77.8	-103.4	0	0	0	109.9	V31 E39 L43 V46 G92 L93 F95 K106 F111	V31-W109 HydrophobicContact CG2-CB 4.24Å; V31-W109 HydrophobicContact CG2-CG 4.35Å; E39-W109 PolarHBondContact O-NE1 2.91Å; E39-W109 PolarHBondContact OE2-NE1 3.43Å; L43-W109 HydrophobicContact CB-CD2 3.83Å; L43-W109 HydrophobicContact CB-CE3 4.12Å; L43-W109 HydrophobicContact CB-CG 4.32Å; L43-W109 HydrophobicContact CB-CH2 4.33Å; L43-W109 HydrophobicContact CB-CZ2 4.02Å; L43-W109 HydrophobicContact CB-CZ3 4.36Å; L43-W109 HydrophobicContact CD2-CG 4.16Å; V46-W109 HydrophobicContact CB-CH2 4.31Å; V46-W109 HydrophobicContact CG1-CH2 4.47Å; V46-W109 HydrophobicContact CG1-CZ3 4.36Å; V46-W109 HydrophobicContact CG2-CH2 3.85Å; G92-W109 CarbonylContact C-O 3.53Å; G92-W109 WeakPolarHBondContact CA-O 3.38Å; L93-W109 PolarHBondContact N-O 2.89Å; L93-W109 PolarHBondContact O-N 2.88Å; F95-W109 AromaticContact CD2-CE3 3.61Å; F95-W109 HydrophobicContact CD2-CE3 3.61Å; F95-W109 AromaticContact CD2-CZ3 3.71Å; F95-W109 HydrophobicContact CD2-CZ3 3.71Å; F95-W109 HydrophobicContact CE2-CD2 4.44Å; F95-W109 AromaticContact CE2-CE3 3.57Å; F95-W109 HydrophobicContact CE2-CE3 3.57Å; F95-W109 HydrophobicContact CE2-CZ3 4.04Å; K106-W109 HydrophobicContact CB-CH2 3.69Å; K106-W109 HydrophobicContact CB-CZ2 3.79Å; K106-W109 HydrophobicContact CD-CZ2 4.13Å; K106-W109 WeakPolarHBondContact O-CH2 3.06Å; W109-F111 HydrophobicContact CB-CD2 4.42Å; W109-F111 HydrophobicContact CB-CE2 3.65Å; W109-F111 HydrophobicContact CB-CZ 3.85Å; W109-F111 HydrophobicContact CG-CZ 4.48Å
110	Q	98.6	Very high	97.1	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.005	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	99.2	179.9	-179.9	165.4	-78	0	0	109.4	I28 V29 N30 V31 Q90 A91 N112 G247	I28-Q110 HydrophobicContact CG2-CB 4.03Å; V29-Q110 PolarHBondContact O-N 2.91Å; N30-Q110 PolarHBondContact OD1-NE2 2.84Å; V31-Q110 PolarHBondContact N-O 2.91Å; Q90-Q110 VanDerWaalsContact CD-CG 3.46Å; Q90-Q110 HydrophobicContact CG-CG 3.84Å; A91-Q110 CarbonylContact O-C 3.55Å; A91-Q110 WeakPolarHBondContact O-CA 3.47Å; Q110-N112 PolarHBondContact O-ND2 3.04Å; Q110-N112 VanDerWaalsContact O-ND2 3.12Å; Q110-G247 VanDerWaalsContact OE1-CA 3.24Å
111	F	98.8	Very high	97.3	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	120.4	-178.4	-59.4	-87.2	0	0	0	110.8	V31 L36 I40 L43 Q90 A91 L93 W109 F113 I145 F150	V31-F111 HydrophobicContact CB-CD1 3.7Å; V31-F111 HydrophobicContact CB-CE1 4.09Å; V31-F111 HydrophobicContact CB-CG 4.35Å; V31-F111 HydrophobicContact CG1-CD1 3.79Å; V31-F111 HydrophobicContact CG1-CE1 3.96Å; V31-F111 HydrophobicContact CG2-CD1 3.96Å; V31-F111 HydrophobicContact CG2-CE1 3.94Å; V31-F111 HydrophobicContact CG2-CZ 4.45Å; L36-F111 HydrophobicContact CD1-CD1 4.25Å; L36-F111 HydrophobicContact CD1-CE1 4.27Å; I40-F111 HydrophobicContact CD1-CE1 4.26Å; I40-F111 HydrophobicContact CG1-CE1 3.97Å; I40-F111 HydrophobicContact CG1-CZ 4.37Å; L43-F111 HydrophobicContact CD2-CE1 4.5Å; L43-F111 HydrophobicContact CD2-CZ 3.64Å; Q90-F111 VanDerWaalsContact CA-O 3.26Å; Q90-F111 WeakPolarHBondContact CA-O 3.27Å; Q90-F111 VanDerWaalsContact CG-O 3.23Å; Q90-F111 WeakPolarHBondContact CG-O 3.48Å; A91-F111 HydrophobicContact CB-CB 4.5Å; A91-F111 PolarHBondContact N-O 3.34Å; A91-F111 PolarHBondContact O-N 3.15Å; L93-F111 HydrophobicContact CB-CE2 4.46Å; L93-F111 HydrophobicContact CD1-CD2 4.02Å; L93-F111 HydrophobicContact CD1-CE2 3.87Å; L93-F111 HydrophobicContact CD2-CE2 4.15Å; L93-F111 HydrophobicContact CG-CE2 4.38Å; W109-F111 HydrophobicContact CB-CD2 4.42Å; W109-F111 HydrophobicContact CB-CE2 3.65Å; W109-F111 HydrophobicContact CB-CZ 3.85Å; W109-F111 HydrophobicContact CG-CZ 4.48Å; F111-F113 HydrophobicContact CB-CE2 4.08Å; F111-F113 HydrophobicContact CB-CZ 3.99Å; F111-I145 HydrophobicContact CB-CD1 3.89Å; F111-I145 HydrophobicContact CD1-CD1 3.9Å; F111-I145 HydrophobicContact CG-CD1 4.41Å; F111-F150 HydrophobicContact CB-CE2 4.21Å; F111-F150 AromaticContact CD1-CD2 3.72Å; F111-F150 HydrophobicContact CD1-CD2 3.72Å; F111-F150 AromaticContact CD1-CE2 3.52Å; F111-F150 HydrophobicContact CD1-CE2 3.52Å; F111-F150 AromaticContact CD2-CE2 3.88Å; F111-F150 HydrophobicContact CD2-CE2 3.88Å; F111-F150 HydrophobicContact CE1-CD2 4.04Å; F111-F150 AromaticContact CE1-CE2 3.74Å; F111-F150 HydrophobicContact CE1-CE2 3.74Å; F111-F150 HydrophobicContact CE2-CE2 4.08Å; F111-F150 HydrophobicContact CG-CD2 4.14Å; F111-F150 AromaticContact CG-CE2 3.59Å; F111-F150 HydrophobicContact CG-CE2 3.59Å; F111-F150 HydrophobicContact CZ-CE2 4.01Å
112	N	98.7	Very high	97.4	Very high	3 Å²	3	44.7 Å²	44.7	2%	0.016	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	105.9	179.2	-56.4	-79.7	0	0	0	109.2	N30 V31 W32 Q90 Q110 F140 G144 I145	N30-N112 PolarHBondContact OD1-ND2 3.16Å; V31-N112 PolarHBondContact O-N 2.86Å; V31-N112 PolarHBondContact O-ND2 2.84Å; W32-N112 HydrophobicContact CD2-CB 3.91Å; W32-N112 HydrophobicContact CE3-CB 3.58Å; W32-N112 HydrophobicContact CH2-CB 3.5Å; W32-N112 VanDerWaalsContact CH2-CB 3.5Å; W32-N112 HydrophobicContact CZ2-CB 3.82Å; W32-N112 HydrophobicContact CZ3-CB 3.37Å; Q90-N112 PolarHBondContact NE2-OD1 3.05Å; Q110-N112 PolarHBondContact O-ND2 3.04Å; Q110-N112 VanDerWaalsContact O-ND2 3.12Å; N112-F140 HydrophobicContact CB-CD1 4.31Å; N112-F140 HydrophobicContact CB-CE1 3.75Å; N112-F140 HydrophobicContact CB-CZ 3.99Å; N112-F140 WeakPolarHBondContact OD1-CZ 3.38Å; N112-G144 CarbonylContact O-C 3.6Å; N112-G144 WeakPolarHBondContact O-CA 3.25Å; N112-I145 WeakPolarHBondContact O-CG1 3.41Å; N112-I145 PolarHBondContact O-N 3.44Å
113	F	98.8	Very high	97.4	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-83	154.7	-173.3	-66	-75.7	0	0	0	112.7	L88 I89 A91 F111 F115 F140 I145 R147 F150 I182	L88-F113 HydrophobicContact CB-CD2 4.45Å; L88-F113 HydrophobicContact CD2-CD2 4.12Å; L88-F113 HydrophobicContact CD2-CE2 3.66Å; L88-F113 HydrophobicContact CD2-CZ 4.4Å; L88-F113 HydrophobicContact CG-CD2 4.25Å; L88-F113 HydrophobicContact CG-CE2 4.27Å; I89-F113 PolarHBondContact O-N 3.19Å; A91-F113 HydrophobicContact CB-CE2 3.78Å; A91-F113 HydrophobicContact CB-CZ 4.33Å; F111-F113 HydrophobicContact CB-CE2 4.08Å; F111-F113 HydrophobicContact CB-CZ 3.99Å; F113-F115 PolarHBondContact O-N 3.28Å; F113-F115 VanDerWaalsContact O-N 3.11Å; F113-F140 WeakPolarHBondContact O-CD1 3.38Å; F113-I145 HydrophobicContact CD1-CB 4.14Å; F113-I145 HydrophobicContact CD1-CG2 4.2Å; F113-I145 HydrophobicContact CE1-CG2 4.35Å; F113-R147 HydrophobicContact CD1-CG 3.84Å; F113-R147 HydrophobicContact CE1-CG 4.43Å; F113-R147 HydrophobicContact CG-CG 4.44Å; F113-F150 HydrophobicContact CE1-CB 3.87Å; F113-F150 AromaticContact CE1-CD1 3.73Å; F113-F150 HydrophobicContact CE1-CD1 3.73Å; F113-F150 AromaticContact CE1-CD2 3.89Å; F113-F150 HydrophobicContact CE1-CD2 3.89Å; F113-F150 HydrophobicContact CE1-CE1 4.15Å; F113-F150 HydrophobicContact CE1-CE2 4.31Å; F113-F150 AromaticContact CE1-CG 3.55Å; F113-F150 HydrophobicContact CE1-CG 3.55Å; F113-F150 HydrophobicContact CE1-CZ 4.4Å; F113-F150 AromaticContact CZ-CD1 3.92Å; F113-F150 HydrophobicContact CZ-CD1 3.92Å; F113-F150 HydrophobicContact CZ-CD2 4.02Å; F113-F150 AromaticContact CZ-CE1 3.84Å; F113-F150 HydrophobicContact CZ-CE1 3.84Å; F113-F150 AromaticContact CZ-CE2 3.96Å; F113-F150 HydrophobicContact CZ-CE2 3.96Å; F113-F150 AromaticContact CZ-CG 3.98Å; F113-F150 HydrophobicContact CZ-CG 3.98Å; F113-F150 AromaticContact CZ-CZ 3.83Å; F113-F150 HydrophobicContact CZ-CZ 3.83Å; F113-I182 HydrophobicContact CE1-CD1 4.46Å; F113-I182 HydrophobicContact CZ-CD1 4.33Å
114	K	98.8	Very high	97.4	Very high	105 Å²	105	49.9 Å²	49.9	46%	0.457	29%	0.294	S	S	.	.			trans	-59.6	120.7	174.2	-171.7	171.1	-179	174.9	0	110.6	F140 I145 R147	K114-F140 WeakPolarHBondContact CA-O 3.45Å; K114-I145 PolarHBondContact N-O 2.87Å; K114-R147 PolarHBondContact O-NH1 3.5Å; K114-R147 PolarHBondContact O-NH2 3.16Å
115	F	98.6	Very high	97.5	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	28%	0.282	C	S	.	.			trans	-142.2	123.2	179.4	-160.6	-81.1	0	0	0	109.7	P60 Q87 I89 F113 L117 N120 I122 F137 F140 A141	P60-F115 HydrophobicContact CB-CE2 4.43Å; P60-F115 HydrophobicContact CB-CZ 4.17Å; P60-F115 HydrophobicContact CG-CE2 4.34Å; Q87-F115 HydrophobicContact CB-CD2 4.09Å; Q87-F115 HydrophobicContact CB-CE2 3.98Å; Q87-F115 WeakPolarHBondContact O-CE2 3.1Å; I89-F115 HydrophobicContact CD1-CE2 4.22Å; I89-F115 HydrophobicContact CD1-CZ 4.38Å; I89-F115 HydrophobicContact CG1-CD2 3.57Å; I89-F115 HydrophobicContact CG1-CE2 3.62Å; I89-F115 HydrophobicContact CG1-CG 4.13Å; I89-F115 HydrophobicContact CG1-CZ 4.23Å; F113-F115 PolarHBondContact O-N 3.28Å; F113-F115 VanDerWaalsContact O-N 3.11Å; F115-L117 HydrophobicContact CE1-CD2 4.26Å; F115-N120 HydrophobicContact CD1-CB 4.08Å; F115-N120 HydrophobicContact CD2-CB 4.05Å; F115-N120 HydrophobicContact CE1-CB 3.71Å; F115-N120 HydrophobicContact CE2-CB 3.69Å; F115-N120 HydrophobicContact CG-CB 4.24Å; F115-N120 HydrophobicContact CZ-CB 3.5Å; F115-I122 HydrophobicContact CE1-CB 4.3Å; F115-I122 HydrophobicContact CE1-CD1 4.47Å; F115-I122 HydrophobicContact CZ-CB 4.14Å; F115-F137 AromaticContact CD1-CD1 3.91Å; F115-F137 HydrophobicContact CD1-CD1 3.91Å; F115-F137 AromaticContact CD1-CE1 3.96Å; F115-F137 HydrophobicContact CD1-CE1 3.96Å; F115-F137 HydrophobicContact CE1-CD1 4.45Å; F115-F137 HydrophobicContact CE1-CE1 4.21Å; F115-F140 HydrophobicContact CB-CB 4.09Å; F115-F140 HydrophobicContact CB-CD1 4.48Å; F115-F140 PolarHBondContact N-O 3.17Å; F115-F140 CarbonylContact O-C 3.49Å; F115-A141 WeakPolarHBondContact O-CA 3.48Å; F115-A141 PolarHBondContact O-N 3.07Å
116	V	98.4	Very high	97.5	Very high	45 Å²	45	44.9 Å²	44.9	27%	0.273	26%	0.257	S	S	.	.			trans	-120	111.3	-173.3	-176.7	0	0	0	0	108.8	V119 N120 A141	V116-V119 HydrophobicContact CB-CB 4.12Å; V116-V119 HydrophobicContact CB-CG2 4.36Å; V116-V119 HydrophobicContact CG1-CB 4.15Å; V116-V119 HydrophobicContact CG1-CG2 3.86Å; V116-V119 PolarHBondContact O-N 3.4Å; V116-V119 VanDerWaalsContact O-N 3.13Å; V116-N120 PolarHBondContact N-OD1 2.84Å; V116-N120 PolarHBondContact O-N 3.12Å; V116-A141 HydrophobicContact CG2-CB 4.04Å
117	L	97.3	Very high	97.5	Very high	76 Å²	76	43.8 Å²	43.8	40%	0.398	25%	0.251	S	S	.	.	B	Isolated β-bridge	trans	-56.8	140	175.8	-62	175.5	0	0	0	110.8	F115 V119 I122 Y127 F137	F115-L117 HydrophobicContact CE1-CD2 4.26Å; L117-V119 PolarHBondContact O-N 2.98Å; L117-I122 HydrophobicContact CD2-CG2 4Å; L117-Y127 HydrophobicContact CD1-CE2 3.89Å; L117-Y127 HydrophobicContact CD2-CD2 4.13Å; L117-Y127 HydrophobicContact CD2-CE2 4.3Å; L117-F137 HydrophobicContact CD1-CB 3.76Å; L117-F137 HydrophobicContact CD1-CG 4.25Å; L117-F137 HydrophobicContact CD2-CB 4.36Å; L117-F137 HydrophobicContact CD2-CD1 3.92Å; L117-F137 HydrophobicContact CD2-CE1 4.41Å; L117-F137 HydrophobicContact CD2-CG 4.1Å; L117-F137 HydrophobicContact CG-CB 4Å; L117-F137 HydrophobicContact CG-CD1 4.37Å; L117-F137 HydrophobicContact CG-CG 4.29Å
118	G	95.1	Very high	97.5	Very high	89 Å²	89	46.9 Å²	46.9	92%	0.918	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.4	-18.9	-176	0	0	0	0	0	114.9
119	V	97.3	Very high	97.5	Very high	112 Å²	112	50.9 Å²	50.9	68%	0.679	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.9	-45	169.7	177.9	0	0	0	0	110.4	V116 L117	V116-V119 HydrophobicContact CB-CB 4.12Å; V116-V119 HydrophobicContact CB-CG2 4.36Å; V116-V119 HydrophobicContact CG1-CB 4.15Å; V116-V119 HydrophobicContact CG1-CG2 3.86Å; V116-V119 PolarHBondContact O-N 3.4Å; V116-V119 VanDerWaalsContact O-N 3.13Å; L117-V119 PolarHBondContact O-N 2.98Å
120	N	97.8	Very high	97.4	Very high	30 Å²	30	51 Å²	51	16%	0.16	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-97.3	127	177.6	-56	128	0	0	0	109.8	F115 V116	F115-N120 HydrophobicContact CD1-CB 4.08Å; F115-N120 HydrophobicContact CD2-CB 4.05Å; F115-N120 HydrophobicContact CE1-CB 3.71Å; F115-N120 HydrophobicContact CE2-CB 3.69Å; F115-N120 HydrophobicContact CG-CB 4.24Å; F115-N120 HydrophobicContact CZ-CB 3.5Å; V116-N120 PolarHBondContact N-OD1 2.84Å; V116-N120 PolarHBondContact O-N 3.12Å
121	P	97.2	Very high	97.3	Very high	58 Å²	58	52 Å²	52	38%	0.377	30%	0.295	S	S	.	.			trans	-69.3	140.4	-178.8	28.3	-33.9	0	0	0	111	P60 V63 H85	P60-P121 WeakPolarHBondContact CB-O 3.46Å; V63-P121 HydrophobicContact CB-CB 4.26Å; V63-P121 HydrophobicContact CG1-CB 4.15Å; V63-P121 HydrophobicContact CG2-CB 4.42Å; V63-P121 HydrophobicContact CG2-CG 4.21Å; H85-P121 VanDerWaalsContact O-CG 3.28Å; H85-P121 WeakPolarHBondContact O-CG 3.19Å
122	I	97.6	Very high	97.2	Very high	34 Å²	34	54.2 Å²	54.2	17%	0.174	32%	0.317	C	S	.	.			trans	-146.5	138.7	174.8	-172.7	163	0	0	0	109.4	P60 I89 F115 L117 A126 F137	P60-I122 HydrophobicContact CB-CB 3.86Å; P60-I122 HydrophobicContact CB-CD1 4.41Å; P60-I122 HydrophobicContact CB-CG1 3.81Å; I89-I122 HydrophobicContact CD1-CD1 3.94Å; F115-I122 HydrophobicContact CE1-CB 4.3Å; F115-I122 HydrophobicContact CE1-CD1 4.47Å; F115-I122 HydrophobicContact CZ-CB 4.14Å; L117-I122 HydrophobicContact CD2-CG2 4Å; I122-A126 HydrophobicContact CG1-CB 4.16Å; I122-F137 HydrophobicContact CD1-CE1 3.89Å; I122-F137 HydrophobicContact CD1-CZ 3.63Å
123	L	96.1	Very high	97	Very high	29 Å²	29	54.5 Å²	54.5	15%	0.152	32%	0.32	C	S	.	.			trans	-74.3	144.4	171.2	-63.7	-173.4	0	0	0	110.2	P60 V63 E125 A126 Y127	P60-L123 PolarHBondContact O-N 2.94Å; V63-L123 HydrophobicContact CG1-CD2 4.4Å; V63-L123 HydrophobicContact CG1-CG 4.27Å; L123-E125 VanDerWaalsContact C-N 3.25Å; L123-E125 PolarHBondContact O-N 2.81Å; L123-A126 HydrophobicContact CB-CB 4.33Å; L123-A126 PolarHBondContact O-N 2.94Å; L123-Y127 PolarHBondContact O-N 3.06Å
124	D	95.8	Very high	96.8	Very high	124 Å²	124	55.2 Å²	55.2	66%	0.663	33%	0.327	S	S	*	.	H	α-helix	trans	-56.5	-41.2	-179.8	-67.4	-20.8	0	0	0	111.4	A126 Y127 E128	D124-A126 VanDerWaalsContact C-N 3.33Å; D124-A126 PolarHBondContact O-N 2.91Å; D124-Y127 PolarHBondContact O-N 3.49Å; D124-E128 WeakPolarHBondContact O-CG 3.29Å; D124-E128 PolarHBondContact O-N 3.05Å
125	E	95	Very high	96.7	Very high	130 Å²	130	50.7 Å²	50.7	61%	0.607	31%	0.308	S	S	*	.	H	α-helix	trans	-65.2	-36.9	179.4	-55.1	83.8	179	0	0	112.4	L123 L129	L123-E125 VanDerWaalsContact C-N 3.25Å; L123-E125 PolarHBondContact O-N 2.81Å; E125-L129 VanDerWaalsContact O-CB 3.25Å; E125-L129 WeakPolarHBondContact O-CB 3.48Å; E125-L129 PolarHBondContact O-N 2.77Å
126	A	95.8	Very high	96.6	Very high	13 Å²	13	52.8 Å²	52.8	11%	0.107	32%	0.319	C	S	.	.	H	α-helix	trans	-71.2	-41.3	175.9	0	0	0	0	0	111	I122 L123 D124 L129 L130	I122-A126 HydrophobicContact CG1-CB 4.16Å; L123-A126 HydrophobicContact CB-CB 4.33Å; L123-A126 PolarHBondContact O-N 2.94Å; D124-A126 VanDerWaalsContact C-N 3.33Å; D124-A126 PolarHBondContact O-N 2.91Å; A126-L129 PolarHBondContact O-N 3.19Å; A126-L130 VanDerWaalsContact O-CB 3.29Å; A126-L130 WeakPolarHBondContact O-CB 3.15Å; A126-L130 WeakPolarHBondContact O-CG 3.5Å; A126-L130 PolarHBondContact O-N 2.77Å
127	Y	97.8	Very high	96.5	Very high	58 Å²	58	51.1 Å²	51.1	23%	0.227	31%	0.308	C	S	.	.	H	α-helix	trans	-59.9	-47.7	175.7	170.1	-101.1	0	0	0	111.8	F14 L117 L123 D124 S131 F137	F14-Y127 AromaticContact CE1-CE1 3.83Å; F14-Y127 HydrophobicContact CE1-CE1 3.83Å; F14-Y127 HydrophobicContact CZ-CE1 4.04Å; L117-Y127 HydrophobicContact CD1-CE2 3.89Å; L117-Y127 HydrophobicContact CD2-CD2 4.13Å; L117-Y127 HydrophobicContact CD2-CE2 4.3Å; L123-Y127 PolarHBondContact O-N 3.06Å; D124-Y127 PolarHBondContact O-N 3.49Å; Y127-S131 WeakPolarHBondContact CE2-OG 3.4Å; Y127-S131 WeakPolarHBondContact O-CB 3.37Å; Y127-S131 PolarHBondContact O-N 3.07Å; Y127-S131 PolarHBondContact O-OG 2.94Å; Y127-F137 AromaticContact CD2-CD2 3.82Å; Y127-F137 HydrophobicContact CD2-CD2 3.82Å; Y127-F137 AromaticContact CD2-CE2 3.64Å; Y127-F137 HydrophobicContact CD2-CE2 3.64Å; Y127-F137 HydrophobicContact CD2-CZ 4.24Å; Y127-F137 AromaticContact CE2-CD2 3.67Å; Y127-F137 HydrophobicContact CE2-CD2 3.67Å; Y127-F137 AromaticContact CE2-CE2 3.97Å; Y127-F137 HydrophobicContact CE2-CE2 3.97Å; Y127-F137 HydrophobicContact CE2-CG 4.37Å
128	E	97.7	Very high	96.6	Very high	76 Å²	76	55 Å²	55	36%	0.355	32%	0.322	S	S	.	.	H	α-helix	trans	-65.9	-44.2	179.7	-69.5	-57.4	148.5	0	0	111.9	F14 D124 G132	F14-E128 WeakPolarHBondContact CE1-OE1 3.45Å; F14-E128 WeakPolarHBondContact CE1-OE2 3.42Å; D124-E128 WeakPolarHBondContact O-CG 3.29Å; D124-E128 PolarHBondContact O-N 3.05Å; E128-G132 PolarHBondContact O-N 3.21Å
129	L	96.7	Very high	96.7	Very high	85 Å²	85	55.5 Å²	55.5	45%	0.445	30%	0.296	S	S	.	.	H	α-helix	trans	-58.8	-52.1	177.4	-179.9	65.8	0	0	0	111.4	E125 A126 G132 A133	E125-L129 VanDerWaalsContact O-CB 3.25Å; E125-L129 WeakPolarHBondContact O-CB 3.48Å; E125-L129 PolarHBondContact O-N 2.77Å; A126-L129 PolarHBondContact O-N 3.19Å; L129-G132 PolarHBondContact O-N 3.19Å; L129-A133 PolarHBondContact O-N 2.89Å
130	L	97.6	Very high	96.8	Very high	2 Å²	2	50.3 Å²	50.3	1%	0.01	26%	0.264	C	S	.	.	H	α-helix	trans	-70.8	-37.8	-176	-67.5	177.4	0	0	0	112.2	E58 I89 A126 G132 A133 G134 L135 F137 H244	E58-L130 HydrophobicContact CB-CD1 4.49Å; E58-L130 HydrophobicContact CB-CD2 3.95Å; E58-L130 HydrophobicContact CG-CD2 3.91Å; E58-L130 WeakPolarHBondContact OE2-CD2 3.48Å; I89-L130 HydrophobicContact CD1-CD1 3.49Å; I89-L130 VanDerWaalsContact CD1-CD1 3.49Å; A126-L130 VanDerWaalsContact O-CB 3.29Å; A126-L130 WeakPolarHBondContact O-CB 3.15Å; A126-L130 WeakPolarHBondContact O-CG 3.5Å; A126-L130 PolarHBondContact O-N 2.77Å; L130-G132 VanDerWaalsContact C-N 3.31Å; L130-G132 PolarHBondContact O-N 3.14Å; L130-A133 CarbonylContact O-C 3.56Å; L130-A133 PolarHBondContact O-N 3.38Å; L130-G134 PolarHBondContact O-N 3.31Å; L130-L135 HydrophobicContact CB-CB 4.37Å; L130-L135 HydrophobicContact CB-CD1 4.44Å; L130-L135 HydrophobicContact CB-CD2 4.14Å; L130-L135 HydrophobicContact CD1-CD2 4.4Å; L130-L135 HydrophobicContact CD2-CD1 4.39Å; L130-L135 HydrophobicContact CD2-CD2 4.2Å; L130-L135 HydrophobicContact CG-CD2 4.48Å; L130-L135 WeakPolarHBondContact O-CB 3.38Å; L130-L135 WeakPolarHBondContact O-CD1 3.38Å; L130-L135 PolarHBondContact O-N 3.15Å; L130-F137 HydrophobicContact CB-CE2 4.28Å; L130-F137 HydrophobicContact CB-CZ 4.18Å; L130-F137 HydrophobicContact CD1-CZ 4.36Å; L130-H244 HydrophobicContact CD2-CB 4.45Å
131	S	96.5	Very high	96.8	Very high	24 Å²	24	50.3 Å²	50.3	17%	0.168	27%	0.269	C	S	.	.	H	α-helix	trans	-63.2	-40.9	172.3	-62.5	0	0	0	0	111	Y127 A133 G134	Y127-S131 WeakPolarHBondContact CE2-OG 3.4Å; Y127-S131 WeakPolarHBondContact O-CB 3.37Å; Y127-S131 PolarHBondContact O-N 3.07Å; Y127-S131 PolarHBondContact O-OG 2.94Å; S131-A133 VanDerWaalsContact C-N 3.29Å; S131-A133 PolarHBondContact O-N 2.83Å; S131-G134 PolarHBondContact O-N 3.42Å; S131-G134 VanDerWaalsContact O-N 3.07Å
132	G	95.9	Very high	96.8	Very high	46 Å²	46	52.3 Å²	52.3	47%	0.474	28%	0.28	S	S	.	.	H	α-helix	trans	-62.9	-33	173.4	0	0	0	0	0	113.3	E128 L129 L130 G134	E128-G132 PolarHBondContact O-N 3.21Å; L129-G132 PolarHBondContact O-N 3.19Å; L130-G132 VanDerWaalsContact C-N 3.31Å; L130-G132 PolarHBondContact O-N 3.14Å; G132-G134 PolarHBondContact O-N 3Å
133	A	94.7	Very high	96.9	Very high	8 Å²	8	53.8 Å²	53.8	7%	0.066	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-3.3	173.5	0	0	0	0	0	114.1	L129 L130 S131 L135 V242 A243 H244 Q245	L129-A133 PolarHBondContact O-N 2.89Å; L130-A133 CarbonylContact O-C 3.56Å; L130-A133 PolarHBondContact O-N 3.38Å; S131-A133 VanDerWaalsContact C-N 3.29Å; S131-A133 PolarHBondContact O-N 2.83Å; A133-L135 HydrophobicContact CB-CD1 4.29Å; A133-V242 HydrophobicContact CB-CG1 4.45Å; A133-V242 WeakPolarHBondContact O-CG1 3.35Å; A133-A243 WeakPolarHBondContact CB-O 3.42Å; A133-H244 HydrophobicContact CB-CB 3.77Å; A133-H244 WeakPolarHBondContact CB-O 3.46Å; A133-Q245 PolarHBondContact O-NE2 2.94Å
134	G	95.2	Very high	97	Very high	15 Å²	15	52.7 Å²	52.7	16%	0.155	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	99.5	8.8	173	0	0	0	0	0	115.7	R18 L130 S131 G132 D136	R18-G134 VanDerWaalsContact O-CA 3.3Å; R18-G134 WeakPolarHBondContact O-CA 3.45Å; L130-G134 PolarHBondContact O-N 3.31Å; S131-G134 PolarHBondContact O-N 3.42Å; S131-G134 VanDerWaalsContact O-N 3.07Å; G132-G134 PolarHBondContact O-N 3Å; G134-D136 PolarHBondContact O-N 3.14Å
135	L	96.5	Very high	97.1	Very high	10 Å²	10	46.8 Å²	46.8	5%	0.052	25%	0.252	C	S	.	.			trans	-69.6	118.2	175.6	-79.7	73.4	0	0	0	110.3	I89 L130 A133 F137 F140 Q245	I89-L135 HydrophobicContact CG2-CD2 3.58Å; L130-L135 HydrophobicContact CB-CB 4.37Å; L130-L135 HydrophobicContact CB-CD1 4.44Å; L130-L135 HydrophobicContact CB-CD2 4.14Å; L130-L135 HydrophobicContact CD1-CD2 4.4Å; L130-L135 HydrophobicContact CD2-CD1 4.39Å; L130-L135 HydrophobicContact CD2-CD2 4.2Å; L130-L135 HydrophobicContact CG-CD2 4.48Å; L130-L135 WeakPolarHBondContact O-CB 3.38Å; L130-L135 WeakPolarHBondContact O-CD1 3.38Å; L130-L135 PolarHBondContact O-N 3.15Å; A133-L135 HydrophobicContact CB-CD1 4.29Å; L135-F137 HydrophobicContact CB-CE2 4.49Å; L135-F137 PolarHBondContact O-N 3.24Å; L135-F140 HydrophobicContact CB-CE2 3.83Å; L135-F140 HydrophobicContact CB-CZ 4.24Å; L135-F140 HydrophobicContact CD2-CE1 4.35Å; L135-F140 HydrophobicContact CD2-CE2 4.13Å; L135-F140 HydrophobicContact CD2-CZ 3.68Å; L135-F140 HydrophobicContact CG-CE2 3.92Å; L135-F140 HydrophobicContact CG-CZ 3.82Å; L135-Q245 HydrophobicContact CD1-CG 4.05Å
136	D	96	Very high	97.3	Very high	44 Å²	44	43.8 Å²	43.8	24%	0.235	24%	0.24	C	C	.	.			trans	-91.1	85.5	179.3	-175.3	0.7	0	0	0	111.6	R17 G134 K138 R139 F140	R17-D136 IonicContact CZ-OD1 3.8Å; R17-D136 IonicContact CZ-OD2 3.21Å; R17-D136 IonicContact NH1-OD1 3.66Å; R17-D136 PolarHBondContact NH1-OD1 2.94Å; R17-D136 IonicContact NH1-OD2 3.05Å; R17-D136 PolarHBondContact NH1-OD2 3.2Å; R17-D136 IonicContact NH2-OD1 3.98Å; R17-D136 PolarHBondContact NH2-OD1 2.86Å; R17-D136 IonicContact NH2-OD2 3.51Å; G134-D136 PolarHBondContact O-N 3.14Å; D136-K138 PolarHBondContact O-N 3.13Å; D136-K138 WeakPolarHBondContact OD1-CB 3.3Å; D136-K138 PolarHBondContact OD1-N 3.37Å; D136-R139 HydrophobicContact CB-CB 4.01Å; D136-R139 WeakPolarHBondContact O-CA 3.48Å; D136-R139 VanDerWaalsContact O-CB 3.31Å; D136-R139 WeakPolarHBondContact O-CB 3.4Å; D136-R139 PolarHBondContact O-N 3.37Å; D136-F140 VanDerWaalsContact O-CD2 3.32Å; D136-F140 WeakPolarHBondContact O-CD2 3.27Å; D136-F140 PolarHBondContact O-N 3.42Å
137	F	97.6	Very high	97.4	Very high	10 Å²	10	45 Å²	45	4%	0.044	24%	0.242	C	C	.	.	H	α-helix	trans	-53.7	-24.4	-178.4	-74	-79.8	0	0	0	114.9	I89 F115 L117 I122 Y127 L130 L135 A141	I89-F137 HydrophobicContact CD1-CE1 4.13Å; I89-F137 HydrophobicContact CD1-CZ 4.32Å; I89-F137 HydrophobicContact CG2-CE1 4.34Å; F115-F137 AromaticContact CD1-CD1 3.91Å; F115-F137 HydrophobicContact CD1-CD1 3.91Å; F115-F137 AromaticContact CD1-CE1 3.96Å; F115-F137 HydrophobicContact CD1-CE1 3.96Å; F115-F137 HydrophobicContact CE1-CD1 4.45Å; F115-F137 HydrophobicContact CE1-CE1 4.21Å; L117-F137 HydrophobicContact CD1-CB 3.76Å; L117-F137 HydrophobicContact CD1-CG 4.25Å; L117-F137 HydrophobicContact CD2-CB 4.36Å; L117-F137 HydrophobicContact CD2-CD1 3.92Å; L117-F137 HydrophobicContact CD2-CE1 4.41Å; L117-F137 HydrophobicContact CD2-CG 4.1Å; L117-F137 HydrophobicContact CG-CB 4Å; L117-F137 HydrophobicContact CG-CD1 4.37Å; L117-F137 HydrophobicContact CG-CG 4.29Å; I122-F137 HydrophobicContact CD1-CE1 3.89Å; I122-F137 HydrophobicContact CD1-CZ 3.63Å; Y127-F137 AromaticContact CD2-CD2 3.82Å; Y127-F137 HydrophobicContact CD2-CD2 3.82Å; Y127-F137 AromaticContact CD2-CE2 3.64Å; Y127-F137 HydrophobicContact CD2-CE2 3.64Å; Y127-F137 HydrophobicContact CD2-CZ 4.24Å; Y127-F137 AromaticContact CE2-CD2 3.67Å; Y127-F137 HydrophobicContact CE2-CD2 3.67Å; Y127-F137 AromaticContact CE2-CE2 3.97Å; Y127-F137 HydrophobicContact CE2-CE2 3.97Å; Y127-F137 HydrophobicContact CE2-CG 4.37Å; L130-F137 HydrophobicContact CB-CE2 4.28Å; L130-F137 HydrophobicContact CB-CZ 4.18Å; L130-F137 HydrophobicContact CD1-CZ 4.36Å; L135-F137 HydrophobicContact CB-CE2 4.49Å; L135-F137 PolarHBondContact O-N 3.24Å; F137-A141 PolarHBondContact O-N 3.5Å; F137-A141 VanDerWaalsContact O-N 3.1Å
138	K	97.7	Very high	97.4	Very high	158 Å²	158	45.2 Å²	45.2	69%	0.687	25%	0.252	S	S	*	.	H	α-helix	trans	-65.4	-41.7	171.6	-174.6	-178.5	177.5	-177.8	0	111	D136 A141 T142	D136-K138 PolarHBondContact O-N 3.13Å; D136-K138 WeakPolarHBondContact OD1-CB 3.3Å; D136-K138 PolarHBondContact OD1-N 3.37Å; K138-A141 PolarHBondContact O-N 3.07Å; K138-T142 PolarHBondContact O-N 2.82Å; K138-T142 PolarHBondContact O-OG1 2.91Å
139	R	98.1	Very high	97.4	Very high	100 Å²	100	42.8 Å²	42.8	38%	0.377	24%	0.243	S	C	.	.	H	α-helix	trans	-72	-38.6	176.1	-167.7	179.7	-178.3	-169.3	-4.3	112.3	W32 D136 A141 T142 D143 G144	W32-R139 VanDerWaalsContact CE2-CZ 3.41Å; W32-R139 HydrophobicContact CE3-CG 4.27Å; W32-R139 HydrophobicContact CH2-CB 4.28Å; W32-R139 HydrophobicContact CH2-CG 3.86Å; W32-R139 HydrophobicContact CZ2-CG 4.34Å; W32-R139 HydrophobicContact CZ3-CB 4.38Å; W32-R139 HydrophobicContact CZ3-CG 3.81Å; D136-R139 HydrophobicContact CB-CB 4.01Å; D136-R139 WeakPolarHBondContact O-CA 3.48Å; D136-R139 VanDerWaalsContact O-CB 3.31Å; D136-R139 WeakPolarHBondContact O-CB 3.4Å; D136-R139 PolarHBondContact O-N 3.37Å; R139-A141 PolarHBondContact O-N 3.4Å; R139-T142 PolarHBondContact O-N 3.21Å; R139-T142 PolarHBondContact O-OG1 3.36Å; R139-D143 HydrophobicContact CG-CB 4Å; R139-D143 WeakPolarHBondContact CG-OD2 3.4Å; R139-D143 IonicContact NE-OD2 2.77Å; R139-D143 PolarHBondContact NE-OD2 3.3Å; R139-D143 PolarHBondContact O-N 3.36Å; R139-G144 PolarHBondContact O-N 3.18Å
140	F	98.5	Very high	97.5	Very high	3 Å²	3	38.7 Å²	38.7	1%	0.013	22%	0.222	C	C	.	.	H	α-helix	trans	-56.6	-37.4	171.3	-76.8	-106.2	0	0	0	111	W32 I89 N112 F113 K114 F115 L135 D136 G144	W32-F140 HydrophobicContact CH2-CD2 4.01Å; W32-F140 AromaticContact CH2-CE2 3.91Å; W32-F140 HydrophobicContact CH2-CE2 3.91Å; W32-F140 HydrophobicContact CH2-CG 4.5Å; W32-F140 HydrophobicContact CH2-CZ 4.29Å; W32-F140 HydrophobicContact CZ3-CD2 4.29Å; W32-F140 HydrophobicContact CZ3-CG 4.36Å; I89-F140 HydrophobicContact CG2-CD1 3.85Å; I89-F140 HydrophobicContact CG2-CE1 3.52Å; I89-F140 HydrophobicContact CG2-CZ 4.1Å; I89-F140 VanDerWaalsContact O-CE1 3.29Å; I89-F140 WeakPolarHBondContact O-CE1 3.48Å; N112-F140 HydrophobicContact CB-CD1 4.31Å; N112-F140 HydrophobicContact CB-CE1 3.75Å; N112-F140 HydrophobicContact CB-CZ 3.99Å; N112-F140 WeakPolarHBondContact OD1-CZ 3.38Å; F113-F140 WeakPolarHBondContact O-CD1 3.38Å; K114-F140 WeakPolarHBondContact CA-O 3.45Å; F115-F140 HydrophobicContact CB-CB 4.09Å; F115-F140 HydrophobicContact CB-CD1 4.48Å; F115-F140 PolarHBondContact N-O 3.17Å; F115-F140 CarbonylContact O-C 3.49Å; L135-F140 HydrophobicContact CB-CE2 3.83Å; L135-F140 HydrophobicContact CB-CZ 4.24Å; L135-F140 HydrophobicContact CD2-CE1 4.35Å; L135-F140 HydrophobicContact CD2-CE2 4.13Å; L135-F140 HydrophobicContact CD2-CZ 3.68Å; L135-F140 HydrophobicContact CG-CE2 3.92Å; L135-F140 HydrophobicContact CG-CZ 3.82Å; D136-F140 VanDerWaalsContact O-CD2 3.32Å; D136-F140 WeakPolarHBondContact O-CD2 3.27Å; D136-F140 PolarHBondContact O-N 3.42Å; F140-G144 WeakPolarHBondContact O-CA 3.31Å; F140-G144 PolarHBondContact O-N 3.06Å
141	A	98.4	Very high	97.6	Very high	30 Å²	30	39 Å²	39	25%	0.248	22%	0.224	C	C	.	.	H	α-helix	trans	-69.1	-38	177.3	0	0	0	0	0	113.7	F115 V116 F137 K138 R139	F115-A141 WeakPolarHBondContact O-CA 3.48Å; F115-A141 PolarHBondContact O-N 3.07Å; V116-A141 HydrophobicContact CG2-CB 4.04Å; F137-A141 PolarHBondContact O-N 3.5Å; F137-A141 VanDerWaalsContact O-N 3.1Å; K138-A141 PolarHBondContact O-N 3.07Å; R139-A141 PolarHBondContact O-N 3.4Å
142	T	98.3	Very high	97.6	Very high	100 Å²	100	43.6 Å²	43.6	61%	0.613	24%	0.243	S	C	*	.	H	α-helix	trans	-91	-41.4	-174.5	60.2	0	0	0	0	114	K138 R139	K138-T142 PolarHBondContact O-N 2.82Å; K138-T142 PolarHBondContact O-OG1 2.91Å; R139-T142 PolarHBondContact O-N 3.21Å; R139-T142 PolarHBondContact O-OG1 3.36Å
143	D	98.6	Very high	97.7	Very high	65 Å²	65	44.1 Å²	44.1	35%	0.348	23%	0.231	S	C	.	.	H	α-helix	trans	-115.1	-6.5	-168.1	-54.9	-0.2	0	0	0	112.3	W32 N33 R139	W32-D143 HydrophobicContact CD2-CB 4.39Å; W32-D143 HydrophobicContact CE3-CB 3.83Å; W32-D143 HydrophobicContact CZ3-CB 4.5Å; N33-D143 VanDerWaalsContact CB-O 3.27Å; N33-D143 WeakPolarHBondContact CB-O 3.35Å; N33-D143 PolarHBondContact N-O 3.29Å; R139-D143 HydrophobicContact CG-CB 4Å; R139-D143 WeakPolarHBondContact CG-OD2 3.4Å; R139-D143 IonicContact NE-OD2 2.77Å; R139-D143 PolarHBondContact NE-OD2 3.3Å; R139-D143 PolarHBondContact O-N 3.36Å
144	G	98.7	Very high	97.9	Very high	5 Å²	5	43.8 Å²	43.8	5%	0.052	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-63.1	147.4	-175.4	0	0	0	0	0	112.6	N112 R139 F140	N112-G144 CarbonylContact O-C 3.6Å; N112-G144 WeakPolarHBondContact O-CA 3.25Å; R139-G144 PolarHBondContact O-N 3.18Å; F140-G144 WeakPolarHBondContact O-CA 3.31Å; F140-G144 PolarHBondContact O-N 3.06Å
145	I	98.8	Very high	98	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-65.9	133.9	-176.8	-64.7	159.5	0	0	0	111	V31 W32 L36 F111 N112 F113 K114 F150	V31-I145 HydrophobicContact CB-CD1 4.16Å; V31-I145 HydrophobicContact CG1-CD1 3.95Å; V31-I145 WeakPolarHBondContact O-CD1 3.47Å; W32-I145 VanDerWaalsContact C-CG1 3.45Å; L36-I145 HydrophobicContact CD1-CD1 4.05Å; L36-I145 HydrophobicContact CD1-CG1 4.3Å; L36-I145 HydrophobicContact CD1-CG2 4Å; L36-I145 HydrophobicContact CD2-CG2 3.85Å; L36-I145 HydrophobicContact CG-CG2 4.48Å; F111-I145 HydrophobicContact CB-CD1 3.89Å; F111-I145 HydrophobicContact CD1-CD1 3.9Å; F111-I145 HydrophobicContact CG-CD1 4.41Å; N112-I145 WeakPolarHBondContact O-CG1 3.41Å; N112-I145 PolarHBondContact O-N 3.44Å; F113-I145 HydrophobicContact CD1-CB 4.14Å; F113-I145 HydrophobicContact CD1-CG2 4.2Å; F113-I145 HydrophobicContact CE1-CG2 4.35Å; K114-I145 PolarHBondContact N-O 2.87Å; I145-F150 HydrophobicContact CG2-CB 3.73Å
146	D	98.4	Very high	98	Very high	67 Å²	67	51.5 Å²	51.5	36%	0.358	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-67.3	127.3	164.2	174.8	67.7	0	0	0	110.8	S148 S149 F150	D146-S148 VanDerWaalsContact C-N 3.31Å; D146-S148 PolarHBondContact O-N 2.77Å; D146-S148 WeakPolarHBondContact OD2-CB 3.44Å; D146-S148 PolarHBondContact OD2-N 3.48Å; D146-S149 PolarHBondContact O-N 2.79Å; D146-S149 PolarHBondContact OD2-N 3.32Å; D146-S149 PolarHBondContact OD2-OG 2.88Å; D146-F150 PolarHBondContact O-N 2.8Å
147	R	98.3	Very high	98	Very high	38 Å²	38	49.7 Å²	49.7	14%	0.143	26%	0.255	C	S	.	.	H	α-helix	trans	-65.2	-34.7	-173.3	-72.7	176.4	-174.6	78.2	11.7	112.4	Q87 L88 F113 K114 F150 A151 I182	Q87-R147 VanDerWaalsContact OE1-CZ 3.23Å; L88-R147 PolarHBondContact O-NH2 3.3Å; F113-R147 HydrophobicContact CD1-CG 3.84Å; F113-R147 HydrophobicContact CE1-CG 4.43Å; F113-R147 HydrophobicContact CG-CG 4.44Å; K114-R147 PolarHBondContact O-NH1 3.5Å; K114-R147 PolarHBondContact O-NH2 3.16Å; R147-F150 PolarHBondContact O-N 3.5Å; R147-A151 WeakPolarHBondContact O-CB 3.5Å; R147-A151 PolarHBondContact O-N 3.01Å; R147-I182 HydrophobicContact CB-CG1 4.44Å; R147-I182 HydrophobicContact CB-CG2 4.15Å; R147-I182 HydrophobicContact CG-CD1 4.25Å; R147-I182 HydrophobicContact CG-CG1 4.29Å
148	S	97.8	Very high	98	Very high	64 Å²	64	50.7 Å²	50.7	45%	0.448	27%	0.268	S	S	.	.	H	α-helix	trans	-67.5	-43.2	177.1	-49.6	0	0	0	0	110.9	D146 F150 A151 E152	D146-S148 VanDerWaalsContact C-N 3.31Å; D146-S148 PolarHBondContact O-N 2.77Å; D146-S148 WeakPolarHBondContact OD2-CB 3.44Å; D146-S148 PolarHBondContact OD2-N 3.48Å; S148-F150 VanDerWaalsContact C-N 3.32Å; S148-F150 PolarHBondContact O-N 3.34Å; S148-A151 PolarHBondContact O-N 2.92Å; S148-E152 WeakPolarHBondContact O-CB 3.39Å; S148-E152 PolarHBondContact O-N 2.99Å
149	S	98.2	Very high	98	Very high	24 Å²	24	43.1 Å²	43.1	17%	0.168	24%	0.235	C	C	.	.	H	α-helix	trans	-63.1	-38.7	176	-56.7	0	0	0	0	112	D146 R153	D146-S149 PolarHBondContact O-N 2.79Å; D146-S149 PolarHBondContact OD2-N 3.32Å; D146-S149 PolarHBondContact OD2-OG 2.88Å; S149-R153 WeakPolarHBondContact O-CG 3.33Å; S149-R153 PolarHBondContact O-N 2.81Å
150	F	98.7	Very high	98	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-63.6	-49.6	171.7	170.8	-95.7	0	0	0	111.9	L36 I40 F111 F113 I145 D146 R147 S148 E152 R153 L154 L179 I182	L36-F150 HydrophobicContact CD1-CD2 4.25Å; I40-F150 HydrophobicContact CD1-CD2 4.47Å; F111-F150 HydrophobicContact CB-CE2 4.21Å; F111-F150 AromaticContact CD1-CD2 3.72Å; F111-F150 HydrophobicContact CD1-CD2 3.72Å; F111-F150 AromaticContact CD1-CE2 3.52Å; F111-F150 HydrophobicContact CD1-CE2 3.52Å; F111-F150 AromaticContact CD2-CE2 3.88Å; F111-F150 HydrophobicContact CD2-CE2 3.88Å; F111-F150 HydrophobicContact CE1-CD2 4.04Å; F111-F150 AromaticContact CE1-CE2 3.74Å; F111-F150 HydrophobicContact CE1-CE2 3.74Å; F111-F150 HydrophobicContact CE2-CE2 4.08Å; F111-F150 HydrophobicContact CG-CD2 4.14Å; F111-F150 AromaticContact CG-CE2 3.59Å; F111-F150 HydrophobicContact CG-CE2 3.59Å; F111-F150 HydrophobicContact CZ-CE2 4.01Å; F113-F150 HydrophobicContact CE1-CB 3.87Å; F113-F150 AromaticContact CE1-CD1 3.73Å; F113-F150 HydrophobicContact CE1-CD1 3.73Å; F113-F150 AromaticContact CE1-CD2 3.89Å; F113-F150 HydrophobicContact CE1-CD2 3.89Å; F113-F150 HydrophobicContact CE1-CE1 4.15Å; F113-F150 HydrophobicContact CE1-CE2 4.31Å; F113-F150 AromaticContact CE1-CG 3.55Å; F113-F150 HydrophobicContact CE1-CG 3.55Å; F113-F150 HydrophobicContact CE1-CZ 4.4Å; F113-F150 AromaticContact CZ-CD1 3.92Å; F113-F150 HydrophobicContact CZ-CD1 3.92Å; F113-F150 HydrophobicContact CZ-CD2 4.02Å; F113-F150 AromaticContact CZ-CE1 3.84Å; F113-F150 HydrophobicContact CZ-CE1 3.84Å; F113-F150 AromaticContact CZ-CE2 3.96Å; F113-F150 HydrophobicContact CZ-CE2 3.96Å; F113-F150 AromaticContact CZ-CG 3.98Å; F113-F150 HydrophobicContact CZ-CG 3.98Å; F113-F150 AromaticContact CZ-CZ 3.83Å; F113-F150 HydrophobicContact CZ-CZ 3.83Å; I145-F150 HydrophobicContact CG2-CB 3.73Å; D146-F150 PolarHBondContact O-N 2.8Å; R147-F150 PolarHBondContact O-N 3.5Å; S148-F150 VanDerWaalsContact C-N 3.32Å; S148-F150 PolarHBondContact O-N 3.34Å; F150-E152 PolarHBondContact O-N 2.88Å; F150-R153 PolarHBondContact O-N 3.19Å; F150-L154 HydrophobicContact CE1-CB 4.46Å; F150-L154 HydrophobicContact CE1-CD2 3.69Å; F150-L154 HydrophobicContact CE2-CD1 4.47Å; F150-L154 HydrophobicContact CE2-CD2 4.39Å; F150-L154 HydrophobicContact CZ-CB 4.48Å; F150-L154 HydrophobicContact CZ-CD1 4.38Å; F150-L154 HydrophobicContact CZ-CD2 3.57Å; F150-L154 HydrophobicContact CZ-CG 4.37Å; F150-L154 VanDerWaalsContact O-CB 3.29Å; F150-L154 WeakPolarHBondContact O-CB 3.41Å; F150-L154 PolarHBondContact O-N 3.33Å; F150-L179 HydrophobicContact CE1-CD2 4.19Å; F150-L179 HydrophobicContact CZ-CD2 4.36Å; F150-I182 HydrophobicContact CD1-CG2 3.68Å; F150-I182 HydrophobicContact CE1-CG2 4.12Å
151	A	98.4	Very high	97.9	Very high	7 Å²	7	41.9 Å²	41.9	6%	0.058	24%	0.235	C	C	.	.	H	α-helix	trans	-56.9	-50.5	-179.4	0	0	0	0	0	111.7	R147 S148 R153 L154 L155 I182	R147-A151 WeakPolarHBondContact O-CB 3.5Å; R147-A151 PolarHBondContact O-N 3.01Å; S148-A151 PolarHBondContact O-N 2.92Å; A151-R153 VanDerWaalsContact C-N 3.3Å; A151-R153 PolarHBondContact O-N 3.44Å; A151-L154 PolarHBondContact O-N 3.2Å; A151-L155 WeakPolarHBondContact O-CB 3.44Å; A151-L155 WeakPolarHBondContact O-CD1 3.49Å; A151-L155 VanDerWaalsContact O-CG 3.23Å; A151-L155 WeakPolarHBondContact O-CG 3.15Å; A151-L155 PolarHBondContact O-N 3.27Å; A151-I182 HydrophobicContact CB-CG2 4.13Å; A151-I182 WeakPolarHBondContact CB-O 3.44Å
152	E	97.3	Very high	97.9	Very high	121 Å²	121	42.4 Å²	42.4	57%	0.565	23%	0.234	S	C	*	.	H	α-helix	trans	-54.1	-47.1	178.8	-176.1	-173.1	156.5	0	0	111.6	S148 F150	S148-E152 WeakPolarHBondContact O-CB 3.39Å; S148-E152 PolarHBondContact O-N 2.99Å; F150-E152 PolarHBondContact O-N 2.88Å
153	R	97.9	Very high	97.8	Very high	58 Å²	58	41.5 Å²	41.5	22%	0.219	23%	0.23	C	C	.	.	H	α-helix	trans	-76.3	-37	-176.8	-67.3	-64.8	-64.8	-124.7	-2.7	113	Y37 I40 S149 F150 A151 I156 S157	Y37-R153 VanDerWaalsContact CD1-CD 3.49Å; Y37-R153 HydrophobicContact CD1-CG 3.53Å; Y37-R153 HydrophobicContact CE1-CG 3.5Å; Y37-R153 VanDerWaalsContact CE1-CG 3.5Å; Y37-R153 PolarHBondContact O-NH2 3.35Å; I40-R153 HydrophobicContact CB-CB 4.39Å; I40-R153 HydrophobicContact CD1-CB 3.38Å; I40-R153 HydrophobicContact CD1-CG 4.43Å; I40-R153 HydrophobicContact CG1-CB 4.45Å; I40-R153 HydrophobicContact CG2-CB 4.06Å; S149-R153 WeakPolarHBondContact O-CG 3.33Å; S149-R153 PolarHBondContact O-N 2.81Å; F150-R153 PolarHBondContact O-N 3.19Å; A151-R153 VanDerWaalsContact C-N 3.3Å; A151-R153 PolarHBondContact O-N 3.44Å; R153-I156 WeakPolarHBondContact O-CG1 3.45Å; R153-I156 PolarHBondContact O-N 2.87Å; R153-S157 PolarHBondContact O-N 2.99Å
154	L	98.2	Very high	97.7	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.005	24%	0.242	C	C	.	.	H	α-helix	trans	-67.4	-39.9	178.4	-166.4	72.8	0	0	0	110.9	L93 F150 A151 I156 S157 V159 L160 I183	L93-L154 HydrophobicContact CD2-CD1 4.36Å; F150-L154 HydrophobicContact CE1-CB 4.46Å; F150-L154 HydrophobicContact CE1-CD2 3.69Å; F150-L154 HydrophobicContact CE2-CD1 4.47Å; F150-L154 HydrophobicContact CE2-CD2 4.39Å; F150-L154 HydrophobicContact CZ-CB 4.48Å; F150-L154 HydrophobicContact CZ-CD1 4.38Å; F150-L154 HydrophobicContact CZ-CD2 3.57Å; F150-L154 HydrophobicContact CZ-CG 4.37Å; F150-L154 VanDerWaalsContact O-CB 3.29Å; F150-L154 WeakPolarHBondContact O-CB 3.41Å; F150-L154 PolarHBondContact O-N 3.33Å; A151-L154 PolarHBondContact O-N 3.2Å; L154-I156 PolarHBondContact O-N 3.5Å; L154-S157 WeakPolarHBondContact O-CB 3.41Å; L154-S157 PolarHBondContact O-N 2.77Å; L154-S157 VanDerWaalsContact O-N 3.1Å; L154-S157 PolarHBondContact O-OG 3.31Å; L154-V159 HydrophobicContact CD1-CG1 3.55Å; L154-V159 HydrophobicContact CG-CG1 3.91Å; L154-L160 HydrophobicContact CB-CD1 4.39Å; L154-L160 HydrophobicContact CD2-CD1 3.78Å; L154-L160 HydrophobicContact CD2-CD2 4.49Å; L154-L160 HydrophobicContact CD2-CG 4.21Å; L154-L160 HydrophobicContact CG-CD1 3.86Å; L154-L160 HydrophobicContact CG-CG 4.17Å; L154-I183 HydrophobicContact CD2-CG2 4.34Å
155	L	97.4	Very high	97.7	Very high	56 Å²	56	43.7 Å²	43.7	29%	0.293	24%	0.24	S	C	.	.	H	α-helix	trans	-58.2	-33.7	177.8	-78	166.9	0	0	0	113	A151 L160 L161 Y202	A151-L155 WeakPolarHBondContact O-CB 3.44Å; A151-L155 WeakPolarHBondContact O-CD1 3.49Å; A151-L155 VanDerWaalsContact O-CG 3.23Å; A151-L155 WeakPolarHBondContact O-CG 3.15Å; A151-L155 PolarHBondContact O-N 3.27Å; L155-L160 HydrophobicContact CD2-CD1 4.01Å; L155-L160 HydrophobicContact CG-CD1 4.4Å; L155-L161 HydrophobicContact CD2-CD1 4.4Å; L155-Y202 HydrophobicContact CD2-CD1 4.14Å; L155-Y202 HydrophobicContact CD2-CE1 3.81Å
156	I	96.1	Very high	97.6	Very high	130 Å²	130	44.6 Å²	44.6	67%	0.667	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.5	3.5	179	67.2	172.5	0	0	0	113.8	R153 L154 G158	R153-I156 WeakPolarHBondContact O-CG1 3.45Å; R153-I156 PolarHBondContact O-N 2.87Å; L154-I156 PolarHBondContact O-N 3.5Å; I156-G158 VanDerWaalsContact C-N 3.3Å; I156-G158 PolarHBondContact O-N 2.65Å
157	S	97.4	Very high	97.6	Very high	7 Å²	7	41.4 Å²	41.4	5%	0.049	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-15.5	-175.5	68	0	0	0	0	114.2	S44 R153 L154 V159	S44-S157 WeakPolarHBondContact CA-O 3.4Å; S44-S157 VanDerWaalsContact CB-O 3.27Å; S44-S157 WeakPolarHBondContact CB-O 3.43Å; S44-S157 VanDerWaalsContact OG-CA 3.25Å; S44-S157 WeakPolarHBondContact OG-CA 3.46Å; S44-S157 WeakPolarHBondContact OG-CB 3.41Å; S44-S157 PolarHBondContact OG-O 3.03Å; R153-S157 PolarHBondContact O-N 2.99Å; L154-S157 WeakPolarHBondContact O-CB 3.41Å; L154-S157 PolarHBondContact O-N 2.77Å; L154-S157 VanDerWaalsContact O-N 3.1Å; L154-S157 PolarHBondContact O-OG 3.31Å; S157-V159 VanDerWaalsContact C-N 3.32Å; S157-V159 WeakPolarHBondContact OG-CG1 3.46Å; S157-V159 PolarHBondContact OG-N 3.44Å
158	G	97.1	Very high	97.6	Very high	30 Å²	30	39.6 Å²	39.6	31%	0.309	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.5	1.8	-172	0	0	0	0	0	114.5	I156 N162	I156-G158 VanDerWaalsContact C-N 3.3Å; I156-G158 PolarHBondContact O-N 2.65Å; G158-N162 VanDerWaalsContact O-CB 3.26Å; G158-N162 WeakPolarHBondContact O-CB 3.38Å; G158-N162 PolarHBondContact O-ND2 3.13Å
159	V	97.8	Very high	97.6	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.2	C	C	.	.	S	Bend	trans	-85.5	-31	176.5	83	0	0	0	0	113.4	V47 V53 F95 L154 S157 V165 W167	V47-V159 HydrophobicContact CG2-CB 4.4Å; V47-V159 HydrophobicContact CG2-CG2 4.04Å; V53-V159 HydrophobicContact CG1-CG2 4.49Å; V53-V159 HydrophobicContact CG2-CG2 3.93Å; F95-V159 HydrophobicContact CE1-CG2 4.12Å; F95-V159 HydrophobicContact CZ-CG2 4.34Å; L154-V159 HydrophobicContact CD1-CG1 3.55Å; L154-V159 HydrophobicContact CG-CG1 3.91Å; S157-V159 VanDerWaalsContact C-N 3.32Å; S157-V159 WeakPolarHBondContact OG-CG1 3.46Å; S157-V159 PolarHBondContact OG-N 3.44Å; V159-V165 HydrophobicContact CG2-CG1 4.31Å; V159-W167 HydrophobicContact CB-CZ2 4.44Å; V159-W167 HydrophobicContact CG1-CZ2 4.14Å; V159-W167 HydrophobicContact CG2-CH2 4.21Å; V159-W167 HydrophobicContact CG2-CZ2 3.7Å; V159-W167 PolarHBondContact O-NE1 3.28Å
160	L	97.9	Very high	97.5	Very high	5 Å²	5	36.5 Å²	36.5	3%	0.026	20%	0.196	C	C	.	.	S	Bend	trans	-96.4	160.3	174.1	-62	177.3	0	0	0	109.5	L154 L155 N162 W167 I183 F203	L154-L160 HydrophobicContact CB-CD1 4.39Å; L154-L160 HydrophobicContact CD2-CD1 3.78Å; L154-L160 HydrophobicContact CD2-CD2 4.49Å; L154-L160 HydrophobicContact CD2-CG 4.21Å; L154-L160 HydrophobicContact CG-CD1 3.86Å; L154-L160 HydrophobicContact CG-CG 4.17Å; L155-L160 HydrophobicContact CD2-CD1 4.01Å; L155-L160 HydrophobicContact CG-CD1 4.4Å; L160-N162 PolarHBondContact O-N 2.95Å; L160-W167 HydrophobicContact CD2-CH2 4.37Å; L160-W167 HydrophobicContact CD2-CZ2 3.82Å; L160-I183 HydrophobicContact CD1-CD1 4.24Å; L160-I183 HydrophobicContact CD1-CG2 3.92Å; L160-F203 HydrophobicContact CD2-CD1 4.08Å; L160-F203 HydrophobicContact CD2-CE1 3.43Å; L160-F203 VanDerWaalsContact CD2-CE1 3.43Å; L160-F203 HydrophobicContact CD2-CE2 4.4Å; L160-F203 HydrophobicContact CD2-CZ 3.62Å
161	L	97.2	Very high	97.2	Very high	71 Å²	71	41 Å²	41	37%	0.372	22%	0.217	S	C	.	.	S	Bend	trans	59.1	17.2	175.3	-54.1	162.5	0	0	0	113.1	L155 Y201 Y202	L155-L161 HydrophobicContact CD2-CD1 4.4Å; L161-Y201 HydrophobicContact CD2-CD1 3.39Å; L161-Y201 HydrophobicContact CD2-CE1 3.25Å; L161-Y201 HydrophobicContact CD2-CG 4.15Å; L161-Y201 WeakPolarHBondContact CD2-O 3.13Å; L161-Y202 HydrophobicContact CD2-CD1 3.78Å; L161-Y202 HydrophobicContact CD2-CE1 4.17Å; L161-Y202 HydrophobicContact CD2-CG 4.32Å; L161-Y202 HydrophobicContact CG-CD1 4.15Å; L161-Y202 PolarHBondContact N-O 3.11Å
162	N	97.3	Very high	97	Very high	42 Å²	42	40.8 Å²	40.8	23%	0.225	22%	0.216	C	C	.	.			trans	-114.1	111.8	-173.9	-173.6	-12.2	0	0	0	109.7	G158 L160 D164 V165	G158-N162 VanDerWaalsContact O-CB 3.26Å; G158-N162 WeakPolarHBondContact O-CB 3.38Å; G158-N162 PolarHBondContact O-ND2 3.13Å; L160-N162 PolarHBondContact O-N 2.95Å; N162-D164 PolarHBondContact O-N 2.75Å; N162-D164 WeakPolarHBondContact OD1-CB 3.47Å; N162-D164 PolarHBondContact OD1-N 2.9Å; N162-V165 HydrophobicContact CB-CB 4.26Å; N162-V165 HydrophobicContact CB-CG2 3.82Å; N162-V165 PolarHBondContact O-N 3.33Å; N162-V165 VanDerWaalsContact O-N 3.16Å
163	P	96.5	Very high	96.9	Very high	81 Å²	81	37.1 Å²	37.1	53%	0.526	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-19	-179.8	28.7	-35	0	0	0	113.6	V165 P204	P163-V165 PolarHBondContact O-N 3Å; P163-P204 HydrophobicContact CB-CB 4.44Å
164	D	96.5	Very high	96.8	Very high	114 Å²	114	34.9 Å²	34.9	61%	0.61	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-21.7	175.4	-61.7	-33.8	0	0	0	111.6	N162	N162-D164 PolarHBondContact O-N 2.75Å; N162-D164 WeakPolarHBondContact OD1-CB 3.47Å; N162-D164 PolarHBondContact OD1-N 2.9Å
165	V	98.1	Very high	96.8	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.006	20%	0.204	C	C	.	.			trans	-86.3	126.6	-179.1	179.3	0	0	0	0	110.8	V47 P51 V53 V159 N162 P163	V47-V165 HydrophobicContact CG2-CG1 4.47Å; V47-V165 HydrophobicContact CG2-CG2 3.53Å; P51-V165 CarbonylContact O-C 3.58Å; P51-V165 VanDerWaalsContact O-CA 3.27Å; P51-V165 WeakPolarHBondContact O-CA 3.43Å; P51-V165 WeakPolarHBondContact O-CG1 3.29Å; V53-V165 HydrophobicContact CB-CG1 4.36Å; V53-V165 HydrophobicContact CG2-CG1 3.71Å; V159-V165 HydrophobicContact CG2-CG1 4.31Å; N162-V165 HydrophobicContact CB-CB 4.26Å; N162-V165 HydrophobicContact CB-CG2 3.82Å; N162-V165 PolarHBondContact O-N 3.33Å; N162-V165 VanDerWaalsContact O-N 3.16Å; P163-V165 PolarHBondContact O-N 3Å
166	K	97.9	Very high	96.8	Very high	20 Å²	20	33.3 Å²	33.3	9%	0.087	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	119.9	179.9	-43.8	-173.7	-173.2	66.7	0	110.1	P51 I52 V53 E98 V205 Y207 L271	P51-K166 PolarHBondContact O-N 3.33Å; I52-K166 WeakPolarHBondContact CA-O 3.32Å; I52-K166 HydrophobicContact CD1-CB 3.6Å; I52-K166 HydrophobicContact CD1-CD 3.6Å; I52-K166 HydrophobicContact CD1-CG 3.68Å; V53-K166 PolarHBondContact N-O 3.29Å; E98-K166 VanDerWaalsContact CD-NZ 3.26Å; E98-K166 IonicContact OE1-NZ 2.6Å; E98-K166 PolarHBondContact OE1-NZ 2.99Å; E98-K166 IonicContact OE2-NZ 3.15Å; E98-K166 PolarHBondContact OE2-NZ 2.98Å; E98-K166 VanDerWaalsContact OE2-NZ 3.15Å; K166-V205 HydrophobicContact CB-CB 4.31Å; K166-V205 HydrophobicContact CB-CG1 3.98Å; K166-V205 HydrophobicContact CD-CG1 4.15Å; K166-V205 HydrophobicContact CG-CB 4.16Å; K166-V205 HydrophobicContact CG-CG1 3.85Å; K166-Y207 HydrophobicContact CB-CE2 4.21Å; K166-Y207 HydrophobicContact CD-CE2 4.37Å; K166-L271 HydrophobicContact CD-CB 4.19Å; K166-L271 HydrophobicContact CD-CD1 3.86Å; K166-L271 HydrophobicContact CD-CD2 3.69Å; K166-L271 HydrophobicContact CD-CG 4.12Å
167	W	98.5	Very high	96.9	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	133.3	-175.3	-73.1	79.1	0	0	0	111.8	V53 L55 L93 V159 L160 Y176 L179 F203 V205 T206 Y207	V53-W167 HydrophobicContact CB-CD2 4.31Å; V53-W167 HydrophobicContact CB-CE3 4.32Å; V53-W167 HydrophobicContact CG1-CD2 4.39Å; V53-W167 HydrophobicContact CG1-CE3 3.98Å; V53-W167 HydrophobicContact CG1-CH2 4.05Å; V53-W167 HydrophobicContact CG1-CZ2 4.44Å; V53-W167 HydrophobicContact CG1-CZ3 3.79Å; V53-W167 CarbonylContact O-C 3.53Å; V53-W167 VanDerWaalsContact O-CA 3.3Å; V53-W167 WeakPolarHBondContact O-CA 3.3Å; L55-W167 HydrophobicContact CB-CE3 3.92Å; L55-W167 HydrophobicContact CB-CZ3 3.96Å; L55-W167 HydrophobicContact CD1-CZ3 4.44Å; L55-W167 HydrophobicContact CD2-CE3 4.24Å; L55-W167 HydrophobicContact CD2-CZ3 4.14Å; L55-W167 HydrophobicContact CG-CZ3 4.41Å; L93-W167 HydrophobicContact CD2-CH2 4.07Å; L93-W167 HydrophobicContact CG-CH2 4.45Å; L93-W167 HydrophobicContact CG-CZ3 4.4Å; V159-W167 HydrophobicContact CB-CZ2 4.44Å; V159-W167 HydrophobicContact CG1-CZ2 4.14Å; V159-W167 HydrophobicContact CG2-CH2 4.21Å; V159-W167 HydrophobicContact CG2-CZ2 3.7Å; V159-W167 PolarHBondContact O-NE1 3.28Å; L160-W167 HydrophobicContact CD2-CH2 4.37Å; L160-W167 HydrophobicContact CD2-CZ2 3.82Å; W167-Y176 WeakPolarHBondContact CB-OH 3.34Å; W167-L179 HydrophobicContact CZ3-CD1 4.45Å; W167-F203 AromaticContact CD1-CD1 3.8Å; W167-F203 AromaticContact CD2-CD1 3.54Å; W167-F203 HydrophobicContact CD2-CD1 3.54Å; W167-F203 AromaticContact CD2-CE1 3.85Å; W167-F203 HydrophobicContact CD2-CE1 3.85Å; W167-F203 AromaticContact CE2-CD1 3.45Å; W167-F203 VanDerWaalsContact CE2-CD1 3.45Å; W167-F203 AromaticContact CE2-CE1 3.67Å; W167-F203 HydrophobicContact CE3-CD1 4.11Å; W167-F203 HydrophobicContact CE3-CE1 4.01Å; W167-F203 AromaticContact CG-CD1 3.75Å; W167-F203 HydrophobicContact CG-CD1 3.75Å; W167-F203 HydrophobicContact CH2-CD1 4.45Å; W167-F203 AromaticContact CH2-CE1 3.83Å; W167-F203 HydrophobicContact CH2-CE1 3.83Å; W167-F203 AromaticContact CZ2-CD1 3.93Å; W167-F203 HydrophobicContact CZ2-CD1 3.93Å; W167-F203 AromaticContact CZ2-CE1 3.66Å; W167-F203 HydrophobicContact CZ2-CE1 3.66Å; W167-F203 HydrophobicContact CZ3-CE1 4Å; W167-F203 AromaticContact NE1-CD1 3.61Å; W167-V205 PolarHBondContact N-O 3.47Å; W167-T206 HydrophobicContact CB-CG2 4.21Å; W167-T206 CarbonylContact O-C 3.52Å; W167-T206 WeakPolarHBondContact O-CA 3.14Å; W167-Y207 PolarHBondContact O-N 2.94Å
168	L	98.1	Very high	97	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	136	176.7	-48.9	176.8	0	0	0	109.3	I52 V53 A54 L55 Y207 T253 F257	I52-L168 HydrophobicContact CG2-CD1 3.49Å; I52-L168 VanDerWaalsContact CG2-CD1 3.49Å; I52-L168 HydrophobicContact CG2-CD2 4.37Å; I52-L168 HydrophobicContact CG2-CG 3.87Å; V53-L168 PolarHBondContact O-N 2.83Å; A54-L168 CarbonylContact C-O 3.58Å; A54-L168 WeakPolarHBondContact CA-O 3.43Å; A54-L168 HydrophobicContact CB-CB 4.11Å; A54-L168 HydrophobicContact CB-CD1 4.44Å; L55-L168 PolarHBondContact N-O 3.1Å; L168-Y207 WeakPolarHBondContact CA-O 3.5Å; L168-Y207 HydrophobicContact CD2-CD2 3.91Å; L168-Y207 HydrophobicContact CD2-CG 4.27Å; L168-T253 HydrophobicContact CB-CG2 4.39Å; L168-F257 HydrophobicContact CD1-CB 3.64Å; L168-F257 HydrophobicContact CD1-CD1 3.57Å; L168-F257 HydrophobicContact CD1-CD2 4.28Å; L168-F257 HydrophobicContact CD1-CE1 4.33Å; L168-F257 HydrophobicContact CD1-CG 3.55Å; L168-F257 HydrophobicContact CD2-CB 4.44Å; L168-F257 HydrophobicContact CD2-CD1 3.99Å; L168-F257 HydrophobicContact CD2-CD2 3.57Å; L168-F257 HydrophobicContact CD2-CE1 4.14Å; L168-F257 HydrophobicContact CD2-CE2 3.72Å; L168-F257 HydrophobicContact CD2-CG 3.72Å; L168-F257 HydrophobicContact CD2-CZ 4.02Å; L168-F257 HydrophobicContact CG-CD1 4.44Å; L168-F257 HydrophobicContact CG-CG 4.24Å
169	T	97.8	Very high	97	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.006	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	163.2	171.6	54.1	0	0	0	0	110	L55 Y176 Y207 D208 V209	L55-T169 HydrophobicContact CB-CG2 3.97Å; L55-T169 HydrophobicContact CD2-CG2 4.07Å; L55-T169 HydrophobicContact CG-CG2 4.28Å; T169-Y176 HydrophobicContact CG2-CD2 4.42Å; T169-Y176 HydrophobicContact CG2-CE1 4.32Å; T169-Y176 HydrophobicContact CG2-CE2 3.71Å; T169-Y207 PolarHBondContact N-O 2.98Å; T169-D208 CarbonylContact O-C 3.59Å; T169-D208 WeakPolarHBondContact O-CA 3.41Å; T169-V209 WeakPolarHBondContact O-CB 3.5Å; T169-V209 WeakPolarHBondContact O-CG2 3.35Å; T169-V209 PolarHBondContact O-N 3.37Å
170	F	94.7	Very high	97.1	Very high	21 Å²	21	25.7 Å²	25.7	9%	0.092	15%	0.145	C	C	.	.	S	Bend	trans	-115.4	100.8	166.2	-171.9	-85.9	0	0	0	108.6	V209 R210 L222 T225 T253	F170-V209 HydrophobicContact CD2-CB 4.09Å; F170-V209 HydrophobicContact CD2-CG1 4.01Å; F170-R210 HydrophobicContact CD1-CB 4.25Å; F170-R210 HydrophobicContact CD2-CB 4.05Å; F170-R210 HydrophobicContact CE1-CB 4.23Å; F170-R210 HydrophobicContact CE1-CG 4.35Å; F170-R210 HydrophobicContact CE2-CB 4.03Å; F170-R210 HydrophobicContact CG-CB 4.17Å; F170-R210 HydrophobicContact CZ-CB 4.14Å; F170-R210 HydrophobicContact CZ-CG 4.27Å; F170-L222 HydrophobicContact CB-CD1 4Å; F170-L222 HydrophobicContact CD1-CB 4.02Å; F170-L222 HydrophobicContact CD1-CD1 4.39Å; F170-L222 HydrophobicContact CD2-CD1 3.66Å; F170-L222 HydrophobicContact CE1-CB 4.11Å; F170-L222 HydrophobicContact CE2-CD1 4.19Å; F170-L222 HydrophobicContact CG-CB 4.26Å; F170-L222 HydrophobicContact CG-CD1 3.77Å; F170-L222 HydrophobicContact CZ-CB 4.43Å; F170-T225 HydrophobicContact CE2-CG2 4.16Å; F170-T225 WeakPolarHBondContact CE2-OG1 3.23Å; F170-T225 WeakPolarHBondContact CZ-OG1 3.37Å; F170-T253 HydrophobicContact CB-CG2 4.19Å
171	Q	92.5	Very high	97.1	Very high	96 Å²	96	28.4 Å²	28.4	45%	0.449	16%	0.155	S	C	.	.	S	Bend	trans	62.7	43.7	-171.8	-161.6	-178.6	-55.7	0	0	113	G173 D208 R210	Q171-G173 PolarHBondContact O-N 2.97Å; Q171-D208 PolarHBondContact N-OD1 3.24Å; Q171-R210 HydrophobicContact CB-CB 4.28Å; Q171-R210 HydrophobicContact CB-CG 4.42Å
172	G	94.3	Very high	97.1	Very high	2 Å²	2	25.6 Å²	25.6	2%	0.021	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75	19.7	-167	0	0	0	0	0	118.3	F174 D175 Y176	G172-F174 VanDerWaalsContact C-N 3.29Å; G172-F174 PolarHBondContact O-N 3.24Å; G172-D175 WeakPolarHBondContact CA-OD2 3.36Å; G172-D175 PolarHBondContact O-N 3.26Å; G172-Y176 WeakPolarHBondContact O-CB 3.26Å; G172-Y176 WeakPolarHBondContact O-CD2 3.43Å; G172-Y176 PolarHBondContact O-N 3.45Å
173	G	94.7	Very high	97.1	Very high	44 Å²	44	24.1 Å²	24.1	45%	0.454	13%	0.133	S	C	.	.	H	α-helix	trans	-57.8	-41.3	179.3	0	0	0	0	0	112.9	Q171 A177	Q171-G173 PolarHBondContact O-N 2.97Å; G173-A177 VanDerWaalsContact O-CB 3.31Å; G173-A177 WeakPolarHBondContact O-CB 3.5Å; G173-A177 PolarHBondContact O-N 3.33Å
174	F	96.6	Very high	97.1	Very high	11 Å²	11	21.5 Å²	21.5	5%	0.048	12%	0.115	C	C	.	.	H	α-helix	trans	-73.9	-43.3	174	-85.6	-80.5	0	0	0	112.2	F59 M62 W74 V79 N82 V83 G172 Y176 A177 Y178	F59-F174 HydrophobicContact CD1-CB 4.45Å; F59-F174 HydrophobicContact CE1-CB 3.9Å; F59-F174 HydrophobicContact CE1-CG 4.22Å; F59-F174 HydrophobicContact CE2-CD1 4.27Å; F59-F174 HydrophobicContact CE2-CG 4.39Å; F59-F174 HydrophobicContact CZ-CB 4.14Å; F59-F174 HydrophobicContact CZ-CD1 4.27Å; F59-F174 HydrophobicContact CZ-CD2 4.2Å; F59-F174 AromaticContact CZ-CG 3.93Å; F59-F174 HydrophobicContact CZ-CG 3.93Å; M62-F174 HydrophobicContact CE-CZ 4.14Å; M62-F174 HydrophobicContact SD-CE1 3.83Å; M62-F174 HydrophobicContact SD-CE2 4.23Å; M62-F174 HydrophobicContact SD-CZ 3.32Å; M62-F174 WeakPolarHBondContact SD-CZ 3.34Å; W74-F174 HydrophobicContact CD2-CE2 4.15Å; W74-F174 HydrophobicContact CE3-CD2 4.29Å; W74-F174 AromaticContact CE3-CE2 3.47Å; W74-F174 HydrophobicContact CE3-CE2 3.47Å; W74-F174 VanDerWaalsContact CE3-CE2 3.47Å; W74-F174 HydrophobicContact CE3-CZ 4.37Å; W74-F174 HydrophobicContact CH2-CE2 4.36Å; W74-F174 HydrophobicContact CZ3-CD2 4.08Å; W74-F174 AromaticContact CZ3-CE2 3.56Å; W74-F174 HydrophobicContact CZ3-CE2 3.56Å; V79-F174 HydrophobicContact CB-CE1 4.19Å; V79-F174 HydrophobicContact CB-CZ 4.06Å; V79-F174 HydrophobicContact CG1-CD1 3.93Å; V79-F174 HydrophobicContact CG1-CE1 3.8Å; V79-F174 HydrophobicContact CG1-CE2 4.42Å; V79-F174 HydrophobicContact CG1-CG 4.3Å; V79-F174 HydrophobicContact CG1-CZ 4.05Å; V79-F174 HydrophobicContact CG2-CD2 4.44Å; V79-F174 HydrophobicContact CG2-CE1 4.27Å; V79-F174 HydrophobicContact CG2-CE2 3.77Å; V79-F174 HydrophobicContact CG2-CZ 3.67Å; N82-F174 HydrophobicContact CB-CE1 4.27Å; V83-F174 HydrophobicContact CG2-CD1 4.12Å; V83-F174 HydrophobicContact CG2-CE1 4.41Å; G172-F174 VanDerWaalsContact C-N 3.29Å; G172-F174 PolarHBondContact O-N 3.24Å; F174-Y176 VanDerWaalsContact C-N 3.31Å; F174-Y176 PolarHBondContact O-N 3.34Å; F174-A177 PolarHBondContact O-N 2.8Å; F174-A177 VanDerWaalsContact O-N 3.09Å; F174-Y178 HydrophobicContact CB-CD2 4.4Å; F174-Y178 HydrophobicContact CB-CE2 4.48Å; F174-Y178 HydrophobicContact CD1-CD2 4.43Å; F174-Y178 AromaticContact CD1-CE2 3.9Å; F174-Y178 HydrophobicContact CD1-CE2 3.9Å; F174-Y178 WeakPolarHBondContact O-CD2 3.49Å; F174-Y178 PolarHBondContact O-N 3.22Å
175	D	98.1	Very high	97.1	Very high	9 Å²	9	21.7 Å²	21.7	5%	0.048	12%	0.116	C	C	.	.	H	α-helix	trans	-53.8	-51	-179.8	-53.7	-28.5	0	0	0	111.1	L55 T57 G172 L179	L55-D175 HydrophobicContact CD2-CB 3.75Å; L55-D175 HydrophobicContact CG-CB 4.02Å; T57-D175 WeakPolarHBondContact CB-OD1 3.38Å; T57-D175 HydrophobicContact CG2-CB 3.88Å; T57-D175 PolarHBondContact N-OD1 3.48Å; T57-D175 PolarHBondContact OG1-OD1 2.76Å; G172-D175 WeakPolarHBondContact CA-OD2 3.36Å; G172-D175 PolarHBondContact O-N 3.26Å; D175-L179 WeakPolarHBondContact O-CG 3.16Å; D175-L179 PolarHBondContact O-N 2.97Å
176	Y	98.2	Very high	97.1	Very high	15 Å²	15	25 Å²	25	6%	0.059	14%	0.137	C	C	.	.	H	α-helix	trans	-65.3	-41.8	177.1	-74.2	-51.7	0	0	0	112.4	L55 W167 T169 G172 F174 L179 M180 L199 F203 T206	L55-Y176 HydrophobicContact CD2-CD1 4.32Å; L55-Y176 HydrophobicContact CD2-CE1 4.27Å; W167-Y176 WeakPolarHBondContact CB-OH 3.34Å; T169-Y176 HydrophobicContact CG2-CD2 4.42Å; T169-Y176 HydrophobicContact CG2-CE1 4.32Å; T169-Y176 HydrophobicContact CG2-CE2 3.71Å; G172-Y176 WeakPolarHBondContact O-CB 3.26Å; G172-Y176 WeakPolarHBondContact O-CD2 3.43Å; G172-Y176 PolarHBondContact O-N 3.45Å; F174-Y176 VanDerWaalsContact C-N 3.31Å; F174-Y176 PolarHBondContact O-N 3.34Å; Y176-L179 PolarHBondContact O-N 3.02Å; Y176-M180 WeakPolarHBondContact O-CB 3.43Å; Y176-M180 WeakPolarHBondContact O-CG 3.15Å; Y176-M180 PolarHBondContact O-N 2.83Å; Y176-L199 HydrophobicContact CD1-CD1 3.78Å; Y176-L199 HydrophobicContact CD2-CD2 4.28Å; Y176-L199 HydrophobicContact CG-CD1 3.79Å; Y176-L199 HydrophobicContact CG-CD2 4.2Å; Y176-F203 HydrophobicContact CD1-CD1 4.32Å; Y176-F203 HydrophobicContact CD1-CD2 4.19Å; Y176-F203 HydrophobicContact CD1-CE1 4.35Å; Y176-F203 HydrophobicContact CD1-CE2 4.23Å; Y176-F203 HydrophobicContact CD1-CG 4.24Å; Y176-F203 HydrophobicContact CD1-CZ 4.31Å; Y176-F203 HydrophobicContact CE1-CB 4.42Å; Y176-F203 AromaticContact CE1-CD1 3.91Å; Y176-F203 HydrophobicContact CE1-CD1 3.91Å; Y176-F203 HydrophobicContact CE1-CD2 4.42Å; Y176-F203 HydrophobicContact CE1-CE1 4.24Å; Y176-F203 HydrophobicContact CE1-CG 4Å; Y176-T206 HydrophobicContact CE1-CG2 4.24Å; Y176-T206 WeakPolarHBondContact OH-CG2 3.48Å
177	A	98.2	Very high	97	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-63.6	-43	-179.9	0	0	0	0	0	111.9	V79 V83 G173 F174 R181 L188 F195	V79-A177 HydrophobicContact CG1-CB 3.82Å; V83-A177 HydrophobicContact CG2-CB 3.85Å; G173-A177 VanDerWaalsContact O-CB 3.31Å; G173-A177 WeakPolarHBondContact O-CB 3.5Å; G173-A177 PolarHBondContact O-N 3.33Å; F174-A177 PolarHBondContact O-N 2.8Å; F174-A177 VanDerWaalsContact O-N 3.09Å; A177-R181 WeakPolarHBondContact O-CB 3.29Å; A177-R181 PolarHBondContact O-N 3.33Å; A177-L188 HydrophobicContact CB-CD1 3.95Å; A177-F195 HydrophobicContact CB-CE2 4.35Å; A177-F195 HydrophobicContact CB-CZ 4.18Å
178	Y	98.5	Very high	97	Very high	4 Å²	4	27.8 Å²	27.8	2%	0.016	15%	0.152	C	C	.	.	H	α-helix	trans	-65.8	-46.1	175.1	-83	-67.7	0	0	0	112.3	F59 N82 V83 S86 L88 F174 R181 I182	F59-Y178 HydrophobicContact CB-CD2 4.08Å; F59-Y178 HydrophobicContact CB-CE2 3.35Å; F59-Y178 HydrophobicContact CD1-CD2 4.46Å; F59-Y178 AromaticContact CD1-CE2 4Å; F59-Y178 HydrophobicContact CD1-CE2 4Å; F59-Y178 AromaticContact CD2-CE2 3.85Å; F59-Y178 HydrophobicContact CD2-CE2 3.85Å; F59-Y178 HydrophobicContact CG-CD2 4.31Å; F59-Y178 AromaticContact CG-CE2 3.48Å; F59-Y178 HydrophobicContact CG-CE2 3.48Å; F59-Y178 VanDerWaalsContact CG-CE2 3.48Å; N82-Y178 PolarHBondContact ND2-OH 3.45Å; V83-Y178 HydrophobicContact CB-CD1 4.35Å; V83-Y178 HydrophobicContact CB-CE1 4.24Å; V83-Y178 HydrophobicContact CG1-CD1 3.81Å; V83-Y178 HydrophobicContact CG1-CE1 4.13Å; V83-Y178 HydrophobicContact CG1-CG 4.27Å; V83-Y178 HydrophobicContact CG2-CD1 4.05Å; V83-Y178 HydrophobicContact CG2-CD2 3.96Å; V83-Y178 HydrophobicContact CG2-CE1 3.95Å; V83-Y178 HydrophobicContact CG2-CE2 3.86Å; V83-Y178 HydrophobicContact CG2-CG 4.04Å; S86-Y178 WeakPolarHBondContact OG-CE1 3.26Å; S86-Y178 PolarHBondContact OG-OH 3.27Å; L88-Y178 HydrophobicContact CB-CD1 3.88Å; L88-Y178 HydrophobicContact CB-CG 4.14Å; L88-Y178 HydrophobicContact CD1-CD1 4.08Å; L88-Y178 HydrophobicContact CD1-CD2 3.71Å; L88-Y178 HydrophobicContact CD1-CE2 4.38Å; L88-Y178 HydrophobicContact CD1-CG 3.55Å; L88-Y178 HydrophobicContact CG-CG 4.34Å; F174-Y178 HydrophobicContact CB-CD2 4.4Å; F174-Y178 HydrophobicContact CB-CE2 4.48Å; F174-Y178 HydrophobicContact CD1-CD2 4.43Å; F174-Y178 AromaticContact CD1-CE2 3.9Å; F174-Y178 HydrophobicContact CD1-CE2 3.9Å; F174-Y178 WeakPolarHBondContact O-CD2 3.49Å; F174-Y178 PolarHBondContact O-N 3.22Å; Y178-R181 PolarHBondContact O-N 2.98Å; Y178-I182 WeakPolarHBondContact O-CG1 3.23Å; Y178-I182 PolarHBondContact O-N 3.39Å
179	L	98.2	Very high	97	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.005	16%	0.16	C	C	.	.	H	α-helix	trans	-62	-45.4	176.9	-75.9	-169.2	0	0	0	111.5	L55 L88 F150 W167 D175 Y176 R181 I182 I183 F203	L55-L179 HydrophobicContact CD1-CD1 3.73Å; L55-L179 HydrophobicContact CD1-CG 4.49Å; L55-L179 HydrophobicContact CD2-CD1 3.44Å; L55-L179 VanDerWaalsContact CD2-CD1 3.44Å; L55-L179 HydrophobicContact CD2-CG 4.33Å; L55-L179 HydrophobicContact CG-CD1 4.24Å; L88-L179 HydrophobicContact CD2-CD2 4.4Å; F150-L179 HydrophobicContact CE1-CD2 4.19Å; F150-L179 HydrophobicContact CZ-CD2 4.36Å; W167-L179 HydrophobicContact CZ3-CD1 4.45Å; D175-L179 WeakPolarHBondContact O-CG 3.16Å; D175-L179 PolarHBondContact O-N 2.97Å; Y176-L179 PolarHBondContact O-N 3.02Å; L179-R181 VanDerWaalsContact C-N 3.33Å; L179-R181 PolarHBondContact O-N 3.15Å; L179-I182 PolarHBondContact O-N 2.79Å; L179-I182 VanDerWaalsContact O-N 3.14Å; L179-I183 WeakPolarHBondContact O-CG1 3.32Å; L179-I183 WeakPolarHBondContact O-CG2 3.38Å; L179-I183 PolarHBondContact O-N 3.42Å; L179-F203 HydrophobicContact CB-CZ 4.23Å; L179-F203 HydrophobicContact CD1-CE1 4.34Å; L179-F203 HydrophobicContact CD1-CZ 4.11Å
180	M	98.2	Very high	96.9	Very high	1 Å²	1	36 Å²	36	1%	0.005	19%	0.186	C	C	.	.	H	α-helix	trans	-55.2	-48	174.5	-78.2	-62	-58.1	0	0	111.2	Y176 I182 I183 T184 L188 F195 E198 L199 Y202 F203	Y176-M180 WeakPolarHBondContact O-CB 3.43Å; Y176-M180 WeakPolarHBondContact O-CG 3.15Å; Y176-M180 PolarHBondContact O-N 2.83Å; M180-I182 VanDerWaalsContact C-N 3.26Å; M180-I182 PolarHBondContact O-N 3.19Å; M180-I183 WeakPolarHBondContact O-CG1 3.19Å; M180-I183 PolarHBondContact O-N 3.25Å; M180-I183 HydrophobicContact SD-CD1 3.83Å; M180-I183 HydrophobicContact SD-CG1 4.5Å; M180-T184 HydrophobicContact CE-CG2 3.79Å; M180-T184 WeakPolarHBondContact O-CG2 3.29Å; M180-T184 PolarHBondContact O-N 3.29Å; M180-T184 PolarHBondContact O-OG1 3.46Å; M180-L188 HydrophobicContact CB-CD2 3.79Å; M180-F195 HydrophobicContact CB-CE2 4.09Å; M180-F195 HydrophobicContact CG-CE2 3.97Å; M180-F195 HydrophobicContact CG-CZ 4.3Å; M180-E198 HydrophobicContact CE-CB 4.19Å; M180-E198 HydrophobicContact CE-CG 3.68Å; M180-E198 WeakPolarHBondContact CE-OE1 3.38Å; M180-L199 HydrophobicContact CG-CD1 3.67Å; M180-L199 HydrophobicContact SD-CD1 4.02Å; M180-Y202 HydrophobicContact CE-CD2 3.59Å; M180-Y202 HydrophobicContact CE-CE2 3.74Å; M180-Y202 HydrophobicContact SD-CD2 3.58Å; M180-Y202 VanDerWaalsContact SD-CD2 3.58Å; M180-Y202 HydrophobicContact SD-CE2 4.27Å; M180-Y202 HydrophobicContact SD-CG 4.13Å; M180-F203 HydrophobicContact CG-CE2 4.33Å; M180-F203 HydrophobicContact SD-CD2 4.34Å; M180-F203 HydrophobicContact SD-CE2 3.89Å
181	R	98.1	Very high	97.1	Very high	62 Å²	62	37.1 Å²	37.1	23%	0.234	20%	0.196	C	C	.	.	H	α-helix	trans	-59.1	-38.6	178.5	-179.6	55.8	175.8	124.8	-12.4	112.4	V83 A177 Y178 L179 N185 T186 D187 L188	V83-R181 HydrophobicContact CG1-CB 3.66Å; V83-R181 HydrophobicContact CG1-CG 4.01Å; A177-R181 WeakPolarHBondContact O-CB 3.29Å; A177-R181 PolarHBondContact O-N 3.33Å; Y178-R181 PolarHBondContact O-N 2.98Å; L179-R181 VanDerWaalsContact C-N 3.33Å; L179-R181 PolarHBondContact O-N 3.15Å; R181-N185 PolarHBondContact NH1-O 3.34Å; R181-N185 WeakPolarHBondContact O-CA 3.38Å; R181-N185 PolarHBondContact O-N 3.16Å; R181-T186 WeakPolarHBondContact CD-O 3.35Å; R181-T186 VanDerWaalsContact CZ-O 3.3Å; R181-T186 PolarHBondContact NE-O 3.22Å; R181-T186 VanDerWaalsContact NH1-N 3.14Å; R181-T186 PolarHBondContact NH1-O 3.19Å; R181-D187 IonicContact CZ-OD1 3.19Å; R181-D187 IonicContact NH2-OD1 2.8Å; R181-D187 PolarHBondContact NH2-OD1 2.92Å; R181-L188 HydrophobicContact CB-CD2 4.12Å
182	I	98.2	Very high	97.3	Very high	13 Å²	13	39.6 Å²	39.6	7%	0.067	20%	0.202	C	C	.	.	H	α-helix	trans	-70.9	-51.4	178.6	-70.3	170.8	0	0	0	111	L88 F113 R147 F150 A151 Y178 L179 M180 N185	L88-I182 HydrophobicContact CB-CD1 3.93Å; L88-I182 HydrophobicContact CD2-CD1 3.74Å; L88-I182 HydrophobicContact CG-CD1 4.5Å; F113-I182 HydrophobicContact CE1-CD1 4.46Å; F113-I182 HydrophobicContact CZ-CD1 4.33Å; R147-I182 HydrophobicContact CB-CG1 4.44Å; R147-I182 HydrophobicContact CB-CG2 4.15Å; R147-I182 HydrophobicContact CG-CD1 4.25Å; R147-I182 HydrophobicContact CG-CG1 4.29Å; F150-I182 HydrophobicContact CD1-CG2 3.68Å; F150-I182 HydrophobicContact CE1-CG2 4.12Å; A151-I182 HydrophobicContact CB-CG2 4.13Å; A151-I182 WeakPolarHBondContact CB-O 3.44Å; Y178-I182 WeakPolarHBondContact O-CG1 3.23Å; Y178-I182 PolarHBondContact O-N 3.39Å; L179-I182 PolarHBondContact O-N 2.79Å; L179-I182 VanDerWaalsContact O-N 3.14Å; M180-I182 VanDerWaalsContact C-N 3.26Å; M180-I182 PolarHBondContact O-N 3.19Å; I182-N185 PolarHBondContact O-N 2.66Å
183	I	97.8	Very high	97.4	Very high	10 Å²	10	43.8 Å²	43.8	5%	0.051	22%	0.224	C	C	.	.	H	α-helix	trans	-71.1	-33.7	-171.9	67.4	-169.7	0	0	0	112.8	L154 L160 L179 M180 Y202 F203	L154-I183 HydrophobicContact CD2-CG2 4.34Å; L160-I183 HydrophobicContact CD1-CD1 4.24Å; L160-I183 HydrophobicContact CD1-CG2 3.92Å; L179-I183 WeakPolarHBondContact O-CG1 3.32Å; L179-I183 WeakPolarHBondContact O-CG2 3.38Å; L179-I183 PolarHBondContact O-N 3.42Å; M180-I183 WeakPolarHBondContact O-CG1 3.19Å; M180-I183 PolarHBondContact O-N 3.25Å; M180-I183 HydrophobicContact SD-CD1 3.83Å; M180-I183 HydrophobicContact SD-CG1 4.5Å; I183-Y202 HydrophobicContact CD1-CD1 3.71Å; I183-Y202 HydrophobicContact CD1-CD2 4.24Å; I183-Y202 HydrophobicContact CD1-CE1 4.22Å; I183-Y202 HydrophobicContact CD1-CG 3.71Å; I183-Y202 HydrophobicContact CG1-CD1 4.41Å; I183-Y202 HydrophobicContact CG1-CE1 4.44Å; I183-F203 HydrophobicContact CD1-CE2 4.08Å; I183-F203 HydrophobicContact CD1-CZ 4.31Å
184	T	96.9	Very high	97.6	Very high	26 Å²	26	45.3 Å²	45.3	16%	0.16	22%	0.221	C	C	.	.	H	α-helix	trans	-86.1	-24.3	178.5	69.3	0	0	0	0	112.2	M180 T186 E198 Y202	M180-T184 HydrophobicContact CE-CG2 3.79Å; M180-T184 WeakPolarHBondContact O-CG2 3.29Å; M180-T184 PolarHBondContact O-N 3.29Å; M180-T184 PolarHBondContact O-OG1 3.46Å; T184-T186 PolarHBondContact O-N 2.87Å; T184-T186 VanDerWaalsContact O-N 3.11Å; T184-T186 PolarHBondContact OG1-N 3.19Å; T184-T186 PolarHBondContact OG1-OG1 2.89Å; T184-E198 WeakPolarHBondContact CG2-OE1 3.35Å; T184-Y202 HydrophobicContact CG2-CE2 3.94Å
185	N	96.3	Very high	97.6	Very high	118 Å²	118	45.4 Å²	45.4	63%	0.631	22%	0.222	S	C	*	.			trans	52.4	25.2	-170.4	-165.1	30.1	0	0	0	113.4	R181 I182	R181-N185 PolarHBondContact NH1-O 3.34Å; R181-N185 WeakPolarHBondContact O-CA 3.38Å; R181-N185 PolarHBondContact O-N 3.16Å; I182-N185 PolarHBondContact O-N 2.66Å
186	T	96.4	Very high	97.6	Very high	71 Å²	71	48.7 Å²	48.7	44%	0.436	24%	0.239	S	C	.	.	S	Bend	trans	-117.5	162.8	174.4	64.8	0	0	0	0	111.3	R181 T184	R181-T186 WeakPolarHBondContact CD-O 3.35Å; R181-T186 VanDerWaalsContact CZ-O 3.3Å; R181-T186 PolarHBondContact NE-O 3.22Å; R181-T186 VanDerWaalsContact NH1-N 3.14Å; R181-T186 PolarHBondContact NH1-O 3.19Å; T184-T186 PolarHBondContact O-N 2.87Å; T184-T186 VanDerWaalsContact O-N 3.11Å; T184-T186 PolarHBondContact OG1-N 3.19Å; T184-T186 PolarHBondContact OG1-OG1 2.89Å
187	D	96.9	Very high	97.6	Very high	76 Å²	76	54.4 Å²	54.4	41%	0.406	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-53.9	149.4	163.5	-72.6	-4.1	0	0	0	109.9	R181 R190	R181-D187 IonicContact CZ-OD1 3.19Å; R181-D187 IonicContact NH2-OD1 2.8Å; R181-D187 PolarHBondContact NH2-OD1 2.92Å; D187-R190 IonicContact OD2-NH2 3.08Å; D187-R190 PolarHBondContact OD2-NH2 2.8Å
188	L	98.3	Very high	97.5	Very high	3 Å²	3	57.3 Å²	57.3	2%	0.016	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-73.6	153.1	178.2	-60.4	174.4	0	0	0	109.5	R80 V83 E84 A177 M180 R181 F195	R80-L188 HydrophobicContact CG-CB 3.98Å; R80-L188 HydrophobicContact CG-CD1 4.33Å; V83-L188 HydrophobicContact CB-CD1 4.18Å; V83-L188 HydrophobicContact CG1-CD1 3.96Å; E84-L188 PolarHBondContact OE1-N 3.3Å; A177-L188 HydrophobicContact CB-CD1 3.95Å; M180-L188 HydrophobicContact CB-CD2 3.79Å; R181-L188 HydrophobicContact CB-CD2 4.12Å; L188-F195 HydrophobicContact CD1-CE2 4.44Å; L188-F195 HydrophobicContact CD2-CD2 4.37Å; L188-F195 HydrophobicContact CD2-CE2 4.1Å
189	P	98.1	Very high	97.5	Very high	23 Å²	23	57.6 Å²	57.6	15%	0.149	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-50.3	143.8	177.6	-32.4	39.1	0	0	0	113.3	Y76 R80 S191 D194 F195 E198	Y76-P189 VanDerWaalsContact CE1-O 3.27Å; Y76-P189 WeakPolarHBondContact CE1-O 3.43Å; Y76-P189 PolarHBondContact OH-O 3.29Å; R80-P189 VanDerWaalsContact CD-O 3.26Å; R80-P189 WeakPolarHBondContact CD-O 3.42Å; P189-S191 VanDerWaalsContact C-N 3.27Å; P189-S191 PolarHBondContact O-N 2.99Å; P189-D194 HydrophobicContact CB-CB 3.86Å; P189-F195 HydrophobicContact CB-CB 4.18Å; P189-F195 HydrophobicContact CG-CB 4.31Å; P189-E198 WeakPolarHBondContact CG-OE2 3.42Å
190	R	96.6	Very high	97.5	Very high	151 Å²	151	62.2 Å²	62.2	57%	0.57	30%	0.299	S	S	*	.	S	Bend	trans	-71	-23.9	-175.7	-64.7	-63.1	-177	-157.8	-9.2	113.3	E84 D187	E84-R190 IonicContact OE1-NH1 2.87Å; E84-R190 IonicContact OE2-NH1 2.81Å; D187-R190 IonicContact OD2-NH2 3.08Å; D187-R190 PolarHBondContact OD2-NH2 2.8Å
191	S	97.2	Very high	97.4	Very high	43 Å²	43	69.6 Å²	69.6	30%	0.301	33%	0.328	S	S	.	.	S	Bend	trans	-109.6	147.8	178.1	86.1	0	0	0	0	111.1	P189 D193 D194 F195	P189-S191 VanDerWaalsContact C-N 3.27Å; P189-S191 PolarHBondContact O-N 2.99Å; S191-D193 PolarHBondContact O-N 2.8Å; S191-D194 PolarHBondContact O-N 3.15Å; S191-D194 WeakPolarHBondContact OG-CB 3.33Å; S191-D194 PolarHBondContact OG-N 3.37Å; S191-D194 PolarHBondContact OG-OD2 2.64Å; S191-F195 PolarHBondContact O-N 2.92Å
192	R	96.8	Very high	97.4	Very high	149 Å²	149	68.5 Å²	68.5	56%	0.562	32%	0.324	S	S	*	.	H	α-helix	trans	-58.8	-39.5	174.2	-172.7	-168.8	69.2	-176.4	-0.6	111.4	Y76 F195 L196	Y76-R192 HydrophobicContact CD1-CB 4.03Å; Y76-R192 HydrophobicContact CD2-CB 4.24Å; Y76-R192 HydrophobicContact CD2-CG 4.17Å; Y76-R192 HydrophobicContact CG-CB 3.74Å; Y76-R192 HydrophobicContact CG-CG 4.08Å; R192-F195 WeakPolarHBondContact O-CB 3.27Å; R192-F195 PolarHBondContact O-N 2.99Å; R192-L196 HydrophobicContact CG-CD1 4.14Å; R192-L196 HydrophobicContact CG-CG 4.4Å; R192-L196 VanDerWaalsContact O-CG 3.28Å; R192-L196 WeakPolarHBondContact O-CG 3.45Å; R192-L196 PolarHBondContact O-N 3.05Å
193	D	97.5	Very high	97.4	Very high	90 Å²	90	67.9 Å²	67.9	48%	0.481	32%	0.321	S	S	.	.	H	α-helix	trans	-70.5	-36.4	-174.6	-65.9	-9.7	0	0	0	111.3	S191 L196 K197	S191-D193 PolarHBondContact O-N 2.8Å; D193-L196 PolarHBondContact O-N 3.5Å; D193-K197 VanDerWaalsContact O-CG 3.29Å; D193-K197 WeakPolarHBondContact O-CG 3.28Å; D193-K197 PolarHBondContact O-N 3.26Å
194	D	98	Very high	97.3	Very high	75 Å²	75	69.1 Å²	69.1	40%	0.401	33%	0.33	S	S	.	.	H	α-helix	trans	-71.8	-37.1	173.9	-60.9	-36	0	0	0	111.7	P189 S191 L196 K197 E198	P189-D194 HydrophobicContact CB-CB 3.86Å; S191-D194 PolarHBondContact O-N 3.15Å; S191-D194 WeakPolarHBondContact OG-CB 3.33Å; S191-D194 PolarHBondContact OG-N 3.37Å; S191-D194 PolarHBondContact OG-OD2 2.64Å; D194-L196 VanDerWaalsContact C-N 3.32Å; D194-L196 PolarHBondContact O-N 2.9Å; D194-K197 PolarHBondContact O-N 2.89Å; D194-K197 IonicContact OD1-NZ 4Å; D194-K197 PolarHBondContact OD1-NZ 3.06Å; D194-E198 WeakPolarHBondContact O-CB 3.43Å; D194-E198 PolarHBondContact O-N 2.94Å
195	F	98.1	Very high	97.4	Very high	13 Å²	13	68.8 Å²	68.8	6%	0.057	33%	0.328	C	S	.	.	H	α-helix	trans	-58	-45.3	170.2	174	-94.2	0	0	0	111.8	Y76 A177 M180 L188 P189 S191 R192 E198 L199	Y76-F195 HydrophobicContact CD2-CD1 4.49Å; Y76-F195 HydrophobicContact CE2-CB 3.64Å; Y76-F195 AromaticContact CE2-CD1 3.8Å; Y76-F195 HydrophobicContact CE2-CD1 3.8Å; Y76-F195 AromaticContact CE2-CD2 3.95Å; Y76-F195 HydrophobicContact CE2-CD2 3.95Å; Y76-F195 HydrophobicContact CE2-CE1 4.46Å; Y76-F195 AromaticContact CE2-CG 3.5Å; Y76-F195 HydrophobicContact CE2-CG 3.5Å; Y76-F195 AromaticContact CZ-CG 3.87Å; Y76-F195 WeakPolarHBondContact OH-CB 3.24Å; A177-F195 HydrophobicContact CB-CE2 4.35Å; A177-F195 HydrophobicContact CB-CZ 4.18Å; M180-F195 HydrophobicContact CB-CE2 4.09Å; M180-F195 HydrophobicContact CG-CE2 3.97Å; M180-F195 HydrophobicContact CG-CZ 4.3Å; L188-F195 HydrophobicContact CD1-CE2 4.44Å; L188-F195 HydrophobicContact CD2-CD2 4.37Å; L188-F195 HydrophobicContact CD2-CE2 4.1Å; P189-F195 HydrophobicContact CB-CB 4.18Å; P189-F195 HydrophobicContact CG-CB 4.31Å; S191-F195 PolarHBondContact O-N 2.92Å; R192-F195 WeakPolarHBondContact O-CB 3.27Å; R192-F195 PolarHBondContact O-N 2.99Å; F195-E198 PolarHBondContact O-N 2.92Å; F195-L199 HydrophobicContact CE1-CD2 4.22Å; F195-L199 HydrophobicContact CZ-CD1 4.27Å; F195-L199 WeakPolarHBondContact O-CB 3.42Å; F195-L199 PolarHBondContact O-N 3.14Å
196	L	97.3	Very high	97.4	Very high	78 Å²	78	64.8 Å²	64.8	41%	0.408	31%	0.308	S	S	.	.	H	α-helix	trans	-66.6	-37.1	178.9	-70.3	173.7	0	0	0	112.3	R192 D193 D194 L199 K200	R192-L196 HydrophobicContact CG-CD1 4.14Å; R192-L196 HydrophobicContact CG-CG 4.4Å; R192-L196 VanDerWaalsContact O-CG 3.28Å; R192-L196 WeakPolarHBondContact O-CG 3.45Å; R192-L196 PolarHBondContact O-N 3.05Å; D193-L196 PolarHBondContact O-N 3.5Å; D194-L196 VanDerWaalsContact C-N 3.32Å; D194-L196 PolarHBondContact O-N 2.9Å; L196-L199 HydrophobicContact CD2-CD2 4.33Å; L196-K200 VanDerWaalsContact O-CG 3.32Å; L196-K200 WeakPolarHBondContact O-CG 3.19Å; L196-K200 PolarHBondContact O-N 3.48Å; L196-K200 VanDerWaalsContact O-N 3.09Å
197	K	97.4	Very high	97.3	Very high	136 Å²	136	63.2 Å²	63.2	59%	0.591	29%	0.294	S	S	*	.	H	α-helix	trans	-62.3	-46.9	173.8	-71.3	169.2	-158.5	158.4	0	111.3	D193 D194 K200 Y201	D193-K197 VanDerWaalsContact O-CG 3.29Å; D193-K197 WeakPolarHBondContact O-CG 3.28Å; D193-K197 PolarHBondContact O-N 3.26Å; D194-K197 PolarHBondContact O-N 2.89Å; D194-K197 IonicContact OD1-NZ 4Å; D194-K197 PolarHBondContact OD1-NZ 3.06Å; K197-K200 PolarHBondContact O-N 2.7Å; K197-Y201 PolarHBondContact O-N 2.87Å
198	E	97.6	Very high	97.2	Very high	60 Å²	60	61.4 Å²	61.4	28%	0.28	28%	0.284	S	S	.	.	H	α-helix	trans	-68.6	-41	179.8	-162.6	-177.2	155	0	0	111.6	M180 T184 P189 D194 F195 K200 Y201 Y202	M180-E198 HydrophobicContact CE-CB 4.19Å; M180-E198 HydrophobicContact CE-CG 3.68Å; M180-E198 WeakPolarHBondContact CE-OE1 3.38Å; T184-E198 WeakPolarHBondContact CG2-OE1 3.35Å; P189-E198 WeakPolarHBondContact CG-OE2 3.42Å; D194-E198 WeakPolarHBondContact O-CB 3.43Å; D194-E198 PolarHBondContact O-N 2.94Å; F195-E198 PolarHBondContact O-N 2.92Å; E198-K200 PolarHBondContact O-N 3.24Å; E198-Y201 VanDerWaalsContact O-CB 3.24Å; E198-Y201 WeakPolarHBondContact O-CB 3.22Å; E198-Y201 PolarHBondContact O-N 3.1Å; E198-Y202 HydrophobicContact CG-CD2 4.46Å; E198-Y202 HydrophobicContact CG-CE2 4.04Å; E198-Y202 WeakPolarHBondContact O-CD2 3.46Å; E198-Y202 PolarHBondContact O-N 3.19Å
199	L	97.9	Very high	96.8	Very high	10 Å²	10	61.2 Å²	61.2	5%	0.052	28%	0.284	C	S	.	.	H	α-helix	trans	-54.5	-43.3	174.1	-174.8	74.7	0	0	0	111.2	Y176 M180 F195 L196 Y201 Y202 F203	Y176-L199 HydrophobicContact CD1-CD1 3.78Å; Y176-L199 HydrophobicContact CD2-CD2 4.28Å; Y176-L199 HydrophobicContact CG-CD1 3.79Å; Y176-L199 HydrophobicContact CG-CD2 4.2Å; M180-L199 HydrophobicContact CG-CD1 3.67Å; M180-L199 HydrophobicContact SD-CD1 4.02Å; F195-L199 HydrophobicContact CE1-CD2 4.22Å; F195-L199 HydrophobicContact CZ-CD1 4.27Å; F195-L199 WeakPolarHBondContact O-CB 3.42Å; F195-L199 PolarHBondContact O-N 3.14Å; L196-L199 HydrophobicContact CD2-CD2 4.33Å; L199-Y201 PolarHBondContact O-N 2.79Å; L199-Y202 PolarHBondContact O-N 3.31Å; L199-F203 HydrophobicContact CD1-CD2 3.49Å; L199-F203 VanDerWaalsContact CD1-CD2 3.49Å; L199-F203 HydrophobicContact CD1-CE2 3.9Å; L199-F203 HydrophobicContact CD1-CG 4.4Å; L199-F203 HydrophobicContact CG-CD2 4.14Å; L199-F203 WeakPolarHBondContact O-CA 3.38Å; L199-F203 WeakPolarHBondContact O-CB 3.43Å; L199-F203 PolarHBondContact O-N 2.83Å
200	K	97.5	Very high	96.4	Very high	99 Å²	99	62 Å²	62	43%	0.43	28%	0.283	S	S	.	.	H	α-helix	trans	-67.4	-18	178.6	-74.5	-60.8	-171.7	-176.1	0	114.3	L196 K197 E198 P204 T206	L196-K200 VanDerWaalsContact O-CG 3.32Å; L196-K200 WeakPolarHBondContact O-CG 3.19Å; L196-K200 PolarHBondContact O-N 3.48Å; L196-K200 VanDerWaalsContact O-N 3.09Å; K197-K200 PolarHBondContact O-N 2.7Å; E198-K200 PolarHBondContact O-N 3.24Å; K200-P204 WeakPolarHBondContact CD-O 3.34Å; K200-P204 PolarHBondContact NZ-O 2.89Å; K200-P204 VanDerWaalsContact NZ-O 3.15Å; K200-P204 WeakPolarHBondContact O-CA 3.45Å; K200-T206 PolarHBondContact NZ-OG1 3.32Å
201	Y	96.8	Very high	95.9	Very high	155 Å²	155	59.4 Å²	59.4	61%	0.608	28%	0.278	S	S	*	.	H	α-helix	trans	-70.6	-50.2	170.7	-173	-108	0	0	0	110.6	L161 K197 E198 L199	L161-Y201 HydrophobicContact CD2-CD1 3.39Å; L161-Y201 HydrophobicContact CD2-CE1 3.25Å; L161-Y201 HydrophobicContact CD2-CG 4.15Å; L161-Y201 WeakPolarHBondContact CD2-O 3.13Å; K197-Y201 PolarHBondContact O-N 2.87Å; E198-Y201 VanDerWaalsContact O-CB 3.24Å; E198-Y201 WeakPolarHBondContact O-CB 3.22Å; E198-Y201 PolarHBondContact O-N 3.1Å; L199-Y201 PolarHBondContact O-N 2.79Å
202	Y	98	Very high	95.3	Very high	39 Å²	39	58.4 Å²	58.4	15%	0.153	27%	0.269	C	S	.	.	H	α-helix	trans	-78.4	-31.9	-178.4	-65.5	-81.7	0	0	0	114	L155 L161 M180 I183 T184 E198 L199	L155-Y202 HydrophobicContact CD2-CD1 4.14Å; L155-Y202 HydrophobicContact CD2-CE1 3.81Å; L161-Y202 HydrophobicContact CD2-CD1 3.78Å; L161-Y202 HydrophobicContact CD2-CE1 4.17Å; L161-Y202 HydrophobicContact CD2-CG 4.32Å; L161-Y202 HydrophobicContact CG-CD1 4.15Å; L161-Y202 PolarHBondContact N-O 3.11Å; M180-Y202 HydrophobicContact CE-CD2 3.59Å; M180-Y202 HydrophobicContact CE-CE2 3.74Å; M180-Y202 HydrophobicContact SD-CD2 3.58Å; M180-Y202 VanDerWaalsContact SD-CD2 3.58Å; M180-Y202 HydrophobicContact SD-CE2 4.27Å; M180-Y202 HydrophobicContact SD-CG 4.13Å; I183-Y202 HydrophobicContact CD1-CD1 3.71Å; I183-Y202 HydrophobicContact CD1-CD2 4.24Å; I183-Y202 HydrophobicContact CD1-CE1 4.22Å; I183-Y202 HydrophobicContact CD1-CG 3.71Å; I183-Y202 HydrophobicContact CG1-CD1 4.41Å; I183-Y202 HydrophobicContact CG1-CE1 4.44Å; T184-Y202 HydrophobicContact CG2-CE2 3.94Å; E198-Y202 HydrophobicContact CG-CD2 4.46Å; E198-Y202 HydrophobicContact CG-CE2 4.04Å; E198-Y202 WeakPolarHBondContact O-CD2 3.46Å; E198-Y202 PolarHBondContact O-N 3.19Å; L199-Y202 PolarHBondContact O-N 3.31Å
203	F	98	Very high	94.6	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	24%	0.242	C	C	.	.			trans	-127.8	77.7	-177.4	-52.3	-89	0	0	0	109.5	L160 W167 Y176 L179 M180 I183 L199 V205 T206	L160-F203 HydrophobicContact CD2-CD1 4.08Å; L160-F203 HydrophobicContact CD2-CE1 3.43Å; L160-F203 VanDerWaalsContact CD2-CE1 3.43Å; L160-F203 HydrophobicContact CD2-CE2 4.4Å; L160-F203 HydrophobicContact CD2-CZ 3.62Å; W167-F203 AromaticContact CD1-CD1 3.8Å; W167-F203 AromaticContact CD2-CD1 3.54Å; W167-F203 HydrophobicContact CD2-CD1 3.54Å; W167-F203 AromaticContact CD2-CE1 3.85Å; W167-F203 HydrophobicContact CD2-CE1 3.85Å; W167-F203 AromaticContact CE2-CD1 3.45Å; W167-F203 VanDerWaalsContact CE2-CD1 3.45Å; W167-F203 AromaticContact CE2-CE1 3.67Å; W167-F203 HydrophobicContact CE3-CD1 4.11Å; W167-F203 HydrophobicContact CE3-CE1 4.01Å; W167-F203 AromaticContact CG-CD1 3.75Å; W167-F203 HydrophobicContact CG-CD1 3.75Å; W167-F203 HydrophobicContact CH2-CD1 4.45Å; W167-F203 AromaticContact CH2-CE1 3.83Å; W167-F203 HydrophobicContact CH2-CE1 3.83Å; W167-F203 AromaticContact CZ2-CD1 3.93Å; W167-F203 HydrophobicContact CZ2-CD1 3.93Å; W167-F203 AromaticContact CZ2-CE1 3.66Å; W167-F203 HydrophobicContact CZ2-CE1 3.66Å; W167-F203 HydrophobicContact CZ3-CE1 4Å; W167-F203 AromaticContact NE1-CD1 3.61Å; Y176-F203 HydrophobicContact CD1-CD1 4.32Å; Y176-F203 HydrophobicContact CD1-CD2 4.19Å; Y176-F203 HydrophobicContact CD1-CE1 4.35Å; Y176-F203 HydrophobicContact CD1-CE2 4.23Å; Y176-F203 HydrophobicContact CD1-CG 4.24Å; Y176-F203 HydrophobicContact CD1-CZ 4.31Å; Y176-F203 HydrophobicContact CE1-CB 4.42Å; Y176-F203 AromaticContact CE1-CD1 3.91Å; Y176-F203 HydrophobicContact CE1-CD1 3.91Å; Y176-F203 HydrophobicContact CE1-CD2 4.42Å; Y176-F203 HydrophobicContact CE1-CE1 4.24Å; Y176-F203 HydrophobicContact CE1-CG 4Å; L179-F203 HydrophobicContact CB-CZ 4.23Å; L179-F203 HydrophobicContact CD1-CE1 4.34Å; L179-F203 HydrophobicContact CD1-CZ 4.11Å; M180-F203 HydrophobicContact CG-CE2 4.33Å; M180-F203 HydrophobicContact SD-CD2 4.34Å; M180-F203 HydrophobicContact SD-CE2 3.89Å; I183-F203 HydrophobicContact CD1-CE2 4.08Å; I183-F203 HydrophobicContact CD1-CZ 4.31Å; L199-F203 HydrophobicContact CD1-CD2 3.49Å; L199-F203 VanDerWaalsContact CD1-CD2 3.49Å; L199-F203 HydrophobicContact CD1-CE2 3.9Å; L199-F203 HydrophobicContact CD1-CG 4.4Å; L199-F203 HydrophobicContact CG-CD2 4.14Å; L199-F203 WeakPolarHBondContact O-CA 3.38Å; L199-F203 WeakPolarHBondContact O-CB 3.43Å; L199-F203 PolarHBondContact O-N 2.83Å; F203-V205 PolarHBondContact O-N 2.85Å; F203-T206 HydrophobicContact CB-CG2 3.62Å; F203-T206 WeakPolarHBondContact O-CG2 3.49Å
204	P	96.8	Very high	93.9	Very high	36 Å²	36	51.2 Å²	51.2	23%	0.234	24%	0.237	C	C	.	.	S	Bend	trans	-59.4	-45.6	-172.5	-25.4	35.8	0	0	0	112.7	P163 K200	P163-P204 HydrophobicContact CB-CB 4.44Å; K200-P204 WeakPolarHBondContact CD-O 3.34Å; K200-P204 PolarHBondContact NZ-O 2.89Å; K200-P204 VanDerWaalsContact NZ-O 3.15Å; K200-P204 WeakPolarHBondContact O-CA 3.45Å
205	V	97.2	Very high	92.8	Very high	19 Å²	19	53.7 Å²	53.7	12%	0.115	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	118.2	-178.1	-171.3	0	0	0	0	109.8	K166 W167 F203 Y207	K166-V205 HydrophobicContact CB-CB 4.31Å; K166-V205 HydrophobicContact CB-CG1 3.98Å; K166-V205 HydrophobicContact CD-CG1 4.15Å; K166-V205 HydrophobicContact CG-CB 4.16Å; K166-V205 HydrophobicContact CG-CG1 3.85Å; W167-V205 PolarHBondContact N-O 3.47Å; F203-V205 PolarHBondContact O-N 2.85Å; V205-Y207 HydrophobicContact CG1-CD2 4.45Å; V205-Y207 HydrophobicContact CG1-CE2 3.53Å
206	T	96.5	Very high	91.6	Very high	35 Å²	35	55 Å²	55	22%	0.215	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	139.9	-176	58.9	0	0	0	0	111.4	W167 Y176 K200 F203	W167-T206 HydrophobicContact CB-CG2 4.21Å; W167-T206 CarbonylContact O-C 3.52Å; W167-T206 WeakPolarHBondContact O-CA 3.14Å; Y176-T206 HydrophobicContact CE1-CG2 4.24Å; Y176-T206 WeakPolarHBondContact OH-CG2 3.48Å; K200-T206 PolarHBondContact NZ-OG1 3.32Å; F203-T206 HydrophobicContact CB-CG2 3.62Å; F203-T206 WeakPolarHBondContact O-CG2 3.49Å
207	Y	94.7	Very high	90.5	Very high	38 Å²	38	53.6 Å²	53.6	15%	0.149	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	133.7	173.6	-57	-84.6	0	0	0	109.9	K166 W167 L168 T169 V205 F257 L271 S272	K166-Y207 HydrophobicContact CB-CE2 4.21Å; K166-Y207 HydrophobicContact CD-CE2 4.37Å; W167-Y207 PolarHBondContact O-N 2.94Å; L168-Y207 WeakPolarHBondContact CA-O 3.5Å; L168-Y207 HydrophobicContact CD2-CD2 3.91Å; L168-Y207 HydrophobicContact CD2-CG 4.27Å; T169-Y207 PolarHBondContact N-O 2.98Å; V205-Y207 HydrophobicContact CG1-CD2 4.45Å; V205-Y207 HydrophobicContact CG1-CE2 3.53Å; Y207-F257 HydrophobicContact CG-CE2 4.26Å; Y207-L271 HydrophobicContact CD2-CD2 3.98Å; Y207-L271 HydrophobicContact CE1-CD2 4.37Å; Y207-L271 HydrophobicContact CE2-CD2 3.28Å; Y207-L271 WeakPolarHBondContact OH-CA 3.37Å; Y207-S272 PolarHBondContact OH-N 2.87Å; Y207-S272 PolarHBondContact OH-OG 3.04Å
208	D	94.1	Very high	89.4	Confident	37 Å²	37	48.5 Å²	48.5	20%	0.198	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	106	171.3	-177.3	-16.1	0	0	0	108.6	T169 Q171 R210 Q211 M212	T169-D208 CarbonylContact O-C 3.59Å; T169-D208 WeakPolarHBondContact O-CA 3.41Å; Q171-D208 PolarHBondContact N-OD1 3.24Å; D208-R210 PolarHBondContact O-N 2.88Å; D208-R210 WeakPolarHBondContact OD1-CA 3.25Å; D208-R210 VanDerWaalsContact OD1-CB 3.22Å; D208-R210 WeakPolarHBondContact OD1-CB 3.21Å; D208-R210 PolarHBondContact OD1-N 2.94Å; D208-Q211 HydrophobicContact CB-CB 4.34Å; D208-Q211 HydrophobicContact CB-CG 3.8Å; D208-Q211 WeakPolarHBondContact O-CB 3.29Å; D208-Q211 PolarHBondContact O-N 2.93Å; D208-M212 PolarHBondContact O-N 2.89Å; D208-M212 VanDerWaalsContact O-N 3.16Å
209	V	91.6	Very high	88.5	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-55.4	-34.6	179.4	179.3	0	0	0	0	110.4	T169 F170 Q211 M212 V213 T253 C256 F257 L260	T169-V209 WeakPolarHBondContact O-CB 3.5Å; T169-V209 WeakPolarHBondContact O-CG2 3.35Å; T169-V209 PolarHBondContact O-N 3.37Å; F170-V209 HydrophobicContact CD2-CB 4.09Å; F170-V209 HydrophobicContact CD2-CG1 4.01Å; V209-Q211 VanDerWaalsContact C-N 3.31Å; V209-Q211 PolarHBondContact O-N 3.45Å; V209-M212 WeakPolarHBondContact O-CB 3.47Å; V209-M212 PolarHBondContact O-N 3.42Å; V209-V213 HydrophobicContact CG1-CG2 4.15Å; V209-V213 WeakPolarHBondContact O-CB 3.43Å; V209-V213 WeakPolarHBondContact O-CG2 3.44Å; V209-V213 PolarHBondContact O-N 3.35Å; V209-T253 HydrophobicContact CG2-CG2 4.03Å; V209-C256 HydrophobicContact CG1-CB 4.09Å; V209-F257 HydrophobicContact CG2-CB 3.82Å; V209-F257 HydrophobicContact CG2-CD2 4.27Å; V209-L260 HydrophobicContact CG1-CD1 3.71Å
210	R	88.3	Confident	87.7	Confident	39 Å²	39	53.8 Å²	53.8	15%	0.147	28%	0.277	C	S	.	.	H	α-helix	trans	-65.5	-35.4	176.9	180	52.2	178.6	-98.1	12.4	111.8	F170 Q171 D208 K214 G220	F170-R210 HydrophobicContact CD1-CB 4.25Å; F170-R210 HydrophobicContact CD2-CB 4.05Å; F170-R210 HydrophobicContact CE1-CB 4.23Å; F170-R210 HydrophobicContact CE1-CG 4.35Å; F170-R210 HydrophobicContact CE2-CB 4.03Å; F170-R210 HydrophobicContact CG-CB 4.17Å; F170-R210 HydrophobicContact CZ-CB 4.14Å; F170-R210 HydrophobicContact CZ-CG 4.27Å; Q171-R210 HydrophobicContact CB-CB 4.28Å; Q171-R210 HydrophobicContact CB-CG 4.42Å; D208-R210 PolarHBondContact O-N 2.88Å; D208-R210 WeakPolarHBondContact OD1-CA 3.25Å; D208-R210 VanDerWaalsContact OD1-CB 3.22Å; D208-R210 WeakPolarHBondContact OD1-CB 3.21Å; D208-R210 PolarHBondContact OD1-N 2.94Å; R210-K214 VanDerWaalsContact O-CG 3.28Å; R210-K214 WeakPolarHBondContact O-CG 3.33Å; R210-K214 PolarHBondContact O-N 3.27Å; R210-G220 PolarHBondContact NH1-O 2.97Å; R210-G220 PolarHBondContact NH2-O 3.23Å
211	Q	86.4	Confident	87	Confident	96 Å²	96	51 Å²	51	45%	0.449	28%	0.276	S	S	.	.	H	α-helix	trans	-69.4	-38.7	174.7	-56.5	-57.3	-33.4	0	0	111.1	D208 V209 K214 V215	D208-Q211 HydrophobicContact CB-CB 4.34Å; D208-Q211 HydrophobicContact CB-CG 3.8Å; D208-Q211 WeakPolarHBondContact O-CB 3.29Å; D208-Q211 PolarHBondContact O-N 2.93Å; V209-Q211 VanDerWaalsContact C-N 3.31Å; V209-Q211 PolarHBondContact O-N 3.45Å; Q211-K214 PolarHBondContact O-N 2.86Å; Q211-V215 WeakPolarHBondContact O-CG2 3.4Å; Q211-V215 PolarHBondContact O-N 3.09Å; Q211-V215 VanDerWaalsContact O-N 3.15Å
212	M	85.1	Confident	86.2	Confident	22 Å²	22	44.5 Å²	44.5	11%	0.108	25%	0.252	C	S	.	.	H	α-helix	trans	-62.7	-46.9	177.2	-60.1	169	58.8	0	0	111.7	D208 V209 K214 V215 C216 F257 L260 I269	D208-M212 PolarHBondContact O-N 2.89Å; D208-M212 VanDerWaalsContact O-N 3.16Å; V209-M212 WeakPolarHBondContact O-CB 3.47Å; V209-M212 PolarHBondContact O-N 3.42Å; M212-K214 VanDerWaalsContact C-N 3.3Å; M212-K214 PolarHBondContact O-N 2.95Å; M212-V215 WeakPolarHBondContact O-CB 3.32Å; M212-V215 PolarHBondContact O-N 3.26Å; M212-V215 VanDerWaalsContact O-N 3.13Å; M212-C216 PolarHBondContact O-N 3.26Å; M212-F257 HydrophobicContact CE-CD2 3.62Å; M212-F257 HydrophobicContact CE-CE2 3.59Å; M212-F257 HydrophobicContact SD-CD2 3.68Å; M212-F257 HydrophobicContact SD-CE2 3.78Å; M212-L260 HydrophobicContact CB-CD1 4.26Å; M212-L260 HydrophobicContact CE-CB 4.41Å; M212-L260 HydrophobicContact CE-CD1 4.5Å; M212-I269 HydrophobicContact CE-CD1 3.95Å; M212-I269 HydrophobicContact CE-CG2 3.32Å
213	V	82.4	Confident	85.6	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-59.5	-40	177	172.1	0	0	0	0	111.7	V209 V215 C216 G217 M218 T225 L260	V209-V213 HydrophobicContact CG1-CG2 4.15Å; V209-V213 WeakPolarHBondContact O-CB 3.43Å; V209-V213 WeakPolarHBondContact O-CG2 3.44Å; V209-V213 PolarHBondContact O-N 3.35Å; V213-V215 PolarHBondContact O-N 3.36Å; V213-C216 CarbonylContact O-C 3.52Å; V213-C216 WeakPolarHBondContact O-CB 3.43Å; V213-C216 PolarHBondContact O-N 3.43Å; V213-C216 VanDerWaalsContact O-N 3.15Å; V213-G217 PolarHBondContact O-N 3.09Å; V213-M218 HydrophobicContact CB-CE 4.46Å; V213-M218 HydrophobicContact CG1-CB 3.47Å; V213-M218 VanDerWaalsContact CG1-CB 3.47Å; V213-M218 HydrophobicContact CG1-CE 4.06Å; V213-M218 HydrophobicContact CG2-CE 4.49Å; V213-M218 PolarHBondContact O-N 3.47Å; V213-M218 VanDerWaalsContact O-N 3.14Å; V213-T225 HydrophobicContact CB-CG2 4.4Å; V213-T225 HydrophobicContact CG1-CG2 3.97Å; V213-T225 HydrophobicContact CG2-CG2 3.49Å; V213-T225 VanDerWaalsContact CG2-CG2 3.49Å; V213-L260 HydrophobicContact CG2-CD1 3.55Å; V213-L260 HydrophobicContact CG2-CD2 4.2Å; V213-L260 HydrophobicContact CG2-CG 4.45Å
214	K	81.5	Confident	84.8	Confident	89 Å²	89	47.4 Å²	47.4	39%	0.387	27%	0.273	S	S	.	.	H	α-helix	trans	-63.4	-39.1	175.8	-76.9	171.9	-177.8	171.3	0	112.4	R210 Q211 M212 C216 G217	R210-K214 VanDerWaalsContact O-CG 3.28Å; R210-K214 WeakPolarHBondContact O-CG 3.33Å; R210-K214 PolarHBondContact O-N 3.27Å; Q211-K214 PolarHBondContact O-N 2.86Å; M212-K214 VanDerWaalsContact C-N 3.3Å; M212-K214 PolarHBondContact O-N 2.95Å; K214-C216 PolarHBondContact O-N 2.81Å; K214-G217 PolarHBondContact O-N 3.24Å
215	V	76.2	Confident	84.1	Confident	126 Å²	126	45.8 Å²	45.8	76%	0.764	26%	0.262	S	S	*	.	H	α-helix	trans	-62.6	-32.1	175.5	172.7	0	0	0	0	110.9	Q211 M212 V213 G217	Q211-V215 WeakPolarHBondContact O-CG2 3.4Å; Q211-V215 PolarHBondContact O-N 3.09Å; Q211-V215 VanDerWaalsContact O-N 3.15Å; M212-V215 WeakPolarHBondContact O-CB 3.32Å; M212-V215 PolarHBondContact O-N 3.26Å; M212-V215 VanDerWaalsContact O-N 3.13Å; V213-V215 PolarHBondContact O-N 3.36Å; V215-G217 PolarHBondContact O-N 3.35Å
216	C	73.3	Confident	83.3	Confident	40 Å²	40	44.9 Å²	44.9	27%	0.27	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	4.8	172.6	-58.6	0	0	0	0	114.3	M212 V213 K214 M218	M212-C216 PolarHBondContact O-N 3.26Å; V213-C216 CarbonylContact O-C 3.52Å; V213-C216 WeakPolarHBondContact O-CB 3.43Å; V213-C216 PolarHBondContact O-N 3.43Å; V213-C216 VanDerWaalsContact O-N 3.15Å; K214-C216 PolarHBondContact O-N 2.81Å; C216-M218 VanDerWaalsContact C-N 3.3Å; C216-M218 HydrophobicContact CB-CE 3.59Å; C216-M218 PolarHBondContact O-N 3.28Å
217	G	74.1	Confident	82.6	Confident	50 Å²	50	47.8 Å²	47.8	52%	0.515	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.6	14.9	179.6	0	0	0	0	0	114.9	V213 K214 V215 F219	V213-G217 PolarHBondContact O-N 3.09Å; K214-G217 PolarHBondContact O-N 3.24Å; V215-G217 PolarHBondContact O-N 3.35Å; G217-F219 VanDerWaalsContact O-CE2 3.24Å; G217-F219 WeakPolarHBondContact O-CE2 3.41Å
218	M	73.9	Confident	81.8	Confident	29 Å²	29	48.4 Å²	48.4	14%	0.143	28%	0.276	C	S	.	.			trans	-98.2	149.9	-179.7	-64.8	-176.5	-73	0	0	111.8	V213 C216 T228 L229 L260	V213-M218 HydrophobicContact CB-CE 4.46Å; V213-M218 HydrophobicContact CG1-CB 3.47Å; V213-M218 VanDerWaalsContact CG1-CB 3.47Å; V213-M218 HydrophobicContact CG1-CE 4.06Å; V213-M218 HydrophobicContact CG2-CE 4.49Å; V213-M218 PolarHBondContact O-N 3.47Å; V213-M218 VanDerWaalsContact O-N 3.14Å; C216-M218 VanDerWaalsContact C-N 3.3Å; C216-M218 HydrophobicContact CB-CE 3.59Å; C216-M218 PolarHBondContact O-N 3.28Å; M218-T228 HydrophobicContact CG-CG2 4.19Å; M218-T228 HydrophobicContact SD-CG2 3.68Å; M218-L229 HydrophobicContact CE-CD2 3.94Å; M218-L229 HydrophobicContact SD-CD2 4.14Å; M218-L260 HydrophobicContact CE-CD2 3.66Å
219	F	78.1	Confident	80.8	Confident	159 Å²	159	46.8 Å²	46.8	70%	0.697	27%	0.267	S	S	*	.			trans	-138.4	146.3	-176.4	-53.7	-87.2	0	0	0	111.3	G217	G217-F219 VanDerWaalsContact O-CE2 3.24Å; G217-F219 WeakPolarHBondContact O-CE2 3.41Å
220	G	81.1	Confident	80	Confident	22 Å²	22	49.6 Å²	49.6	23%	0.227	28%	0.28	C	S	.	.	S	Bend	trans	141	175.1	176.5	0	0	0	0	0	113	R210	R210-G220 PolarHBondContact NH1-O 2.97Å; R210-G220 PolarHBondContact NH2-O 3.23Å
221	G	83.8	Confident	78.9	Confident	41 Å²	41	52.9 Å²	52.9	42%	0.423	31%	0.307	S	S	.	.			trans	-70.3	-177.5	171.6	0	0	0	0	0	112.7	Q223 A224 T225	G221-Q223 VanDerWaalsContact C-N 3.34Å; G221-Q223 PolarHBondContact O-N 3.39Å; G221-A224 PolarHBondContact O-N 2.91Å; G221-T225 WeakPolarHBondContact O-CB 3.46Å; G221-T225 PolarHBondContact O-N 3.02Å; G221-T225 PolarHBondContact O-OG1 2.66Å
222	L	79.7	Confident	77.8	Confident	17 Å²	17	55.2 Å²	55.2	9%	0.089	32%	0.315	C	S	.	.	H	α-helix	trans	-59.3	-45.6	179.4	-179.8	62.1	0	0	0	111.7	F170 T225 A226 D249 I252	F170-L222 HydrophobicContact CB-CD1 4Å; F170-L222 HydrophobicContact CD1-CB 4.02Å; F170-L222 HydrophobicContact CD1-CD1 4.39Å; F170-L222 HydrophobicContact CD2-CD1 3.66Å; F170-L222 HydrophobicContact CE1-CB 4.11Å; F170-L222 HydrophobicContact CE2-CD1 4.19Å; F170-L222 HydrophobicContact CG-CB 4.26Å; F170-L222 HydrophobicContact CG-CD1 3.77Å; F170-L222 HydrophobicContact CZ-CB 4.43Å; L222-T225 WeakPolarHBondContact O-CB 3.44Å; L222-T225 PolarHBondContact O-N 2.79Å; L222-A226 PolarHBondContact O-N 3.36Å; L222-D249 HydrophobicContact CD2-CB 4Å; L222-D249 WeakPolarHBondContact CD2-O 3.46Å; L222-I252 HydrophobicContact CD1-CG2 3.85Å; L222-I252 HydrophobicContact CD2-CB 4.17Å; L222-I252 HydrophobicContact CD2-CG2 4.15Å; L222-I252 HydrophobicContact CG-CB 4.34Å; L222-I252 HydrophobicContact CG-CG2 3.77Å
223	Q	83.9	Confident	76.6	Confident	65 Å²	65	57.2 Å²	57.2	30%	0.304	32%	0.324	S	S	.	.	H	α-helix	trans	-63.1	-47.3	177.4	-174.6	60.5	40.5	0	0	112.2	G221 T225 A226 E227 R239	G221-Q223 VanDerWaalsContact C-N 3.34Å; G221-Q223 PolarHBondContact O-N 3.39Å; Q223-T225 PolarHBondContact O-N 3.07Å; Q223-A226 WeakPolarHBondContact O-CB 3.37Å; Q223-A226 PolarHBondContact O-N 3.27Å; Q223-A226 VanDerWaalsContact O-N 3.15Å; Q223-E227 WeakPolarHBondContact CG-OE1 3.37Å; Q223-E227 PolarHBondContact NE2-OE1 2.98Å; Q223-E227 WeakPolarHBondContact O-CG 3.35Å; Q223-E227 PolarHBondContact O-N 3.29Å; Q223-R239 VanDerWaalsContact OE1-NH2 3.14Å
224	A	82.9	Confident	75.4	Confident	35 Å²	35	65.3 Å²	65.3	29%	0.289	37%	0.367	S	S	.	.	H	α-helix	trans	-63.3	-32.4	176.5	0	0	0	0	0	112.2	G221 T228	G221-A224 PolarHBondContact O-N 2.91Å; A224-T228 VanDerWaalsContact O-CB 3.28Å; A224-T228 WeakPolarHBondContact O-CB 3.48Å; A224-T228 PolarHBondContact O-N 3.01Å; A224-T228 PolarHBondContact O-OG1 2.86Å
225	T	81.1	Confident	74.3	Confident	2 Å²	2	66.8 Å²	66.8	1%	0.012	37%	0.374	C	S	.	.	H	α-helix	trans	-65.9	-47.4	173	-59.5	0	0	0	0	110.5	F170 V213 G221 L222 Q223 E227 T228 L229	F170-T225 HydrophobicContact CE2-CG2 4.16Å; F170-T225 WeakPolarHBondContact CE2-OG1 3.23Å; F170-T225 WeakPolarHBondContact CZ-OG1 3.37Å; V213-T225 HydrophobicContact CB-CG2 4.4Å; V213-T225 HydrophobicContact CG1-CG2 3.97Å; V213-T225 HydrophobicContact CG2-CG2 3.49Å; V213-T225 VanDerWaalsContact CG2-CG2 3.49Å; G221-T225 WeakPolarHBondContact O-CB 3.46Å; G221-T225 PolarHBondContact O-N 3.02Å; G221-T225 PolarHBondContact O-OG1 2.66Å; L222-T225 WeakPolarHBondContact O-CB 3.44Å; L222-T225 PolarHBondContact O-N 2.79Å; Q223-T225 PolarHBondContact O-N 3.07Å; T225-E227 PolarHBondContact O-N 2.97Å; T225-T228 PolarHBondContact O-N 3.35Å; T225-L229 HydrophobicContact CG2-CD1 4.18Å; T225-L229 VanDerWaalsContact O-CG 3.29Å; T225-L229 WeakPolarHBondContact O-CG 3.47Å; T225-L229 PolarHBondContact O-N 3.14Å
226	A	80.5	Confident	73.8	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-56.7	-50.2	175.9	0	0	0	0	0	111.1	L222 Q223 T228 L229 E230 V237 I252	L222-A226 PolarHBondContact O-N 3.36Å; Q223-A226 WeakPolarHBondContact O-CB 3.37Å; Q223-A226 PolarHBondContact O-N 3.27Å; Q223-A226 VanDerWaalsContact O-N 3.15Å; A226-T228 PolarHBondContact O-N 3.29Å; A226-L229 PolarHBondContact O-N 3.46Å; A226-L229 VanDerWaalsContact O-N 3.16Å; A226-E230 WeakPolarHBondContact O-CG 3.32Å; A226-E230 PolarHBondContact O-N 3.23Å; A226-V237 HydrophobicContact CB-CB 4.01Å; A226-V237 HydrophobicContact CB-CG1 3.85Å; A226-I252 HydrophobicContact CB-CG2 4Å
227	E	81.5	Confident	73.9	Confident	97 Å²	97	64.8 Å²	64.8	45%	0.453	35%	0.35	S	S	.	.	H	α-helix	trans	-61.4	-40.5	177	-73.2	166.3	-167.6	0	0	112.9	Q223 T225 L229 E230 P231	Q223-E227 WeakPolarHBondContact CG-OE1 3.37Å; Q223-E227 PolarHBondContact NE2-OE1 2.98Å; Q223-E227 WeakPolarHBondContact O-CG 3.35Å; Q223-E227 PolarHBondContact O-N 3.29Å; T225-E227 PolarHBondContact O-N 2.97Å; E227-L229 PolarHBondContact O-N 3.41Å; E227-E230 PolarHBondContact O-N 3.04Å; E227-P231 WeakPolarHBondContact O-CD 3.34Å
228	T	78	Confident	74.2	Confident	51 Å²	51	67.6 Å²	67.6	31%	0.313	35%	0.35	S	S	.	.	H	α-helix	trans	-64.7	-32.6	177.4	-60.4	0	0	0	0	111.2	M218 A224 T225 A226 P231 F232	M218-T228 HydrophobicContact CG-CG2 4.19Å; M218-T228 HydrophobicContact SD-CG2 3.68Å; A224-T228 VanDerWaalsContact O-CB 3.28Å; A224-T228 WeakPolarHBondContact O-CB 3.48Å; A224-T228 PolarHBondContact O-N 3.01Å; A224-T228 PolarHBondContact O-OG1 2.86Å; T225-T228 PolarHBondContact O-N 3.35Å; A226-T228 PolarHBondContact O-N 3.29Å; T228-P231 WeakPolarHBondContact O-CD 3.2Å; T228-F232 HydrophobicContact CG2-CE2 4.27Å; T228-F232 WeakPolarHBondContact O-CD2 3.18Å
229	L	73.9	Confident	74.9	Confident	3 Å²	3	68.6 Å²	68.6	2%	0.016	35%	0.352	C	S	.	.	H	α-helix	trans	-76.3	-20.4	177.9	-67	171	0	0	0	112.6	M218 T225 A226 E227 F233 C256 K259 L260	M218-L229 HydrophobicContact CE-CD2 3.94Å; M218-L229 HydrophobicContact SD-CD2 4.14Å; T225-L229 HydrophobicContact CG2-CD1 4.18Å; T225-L229 VanDerWaalsContact O-CG 3.29Å; T225-L229 WeakPolarHBondContact O-CG 3.47Å; T225-L229 PolarHBondContact O-N 3.14Å; A226-L229 PolarHBondContact O-N 3.46Å; A226-L229 VanDerWaalsContact O-N 3.16Å; E227-L229 PolarHBondContact O-N 3.41Å; L229-F233 HydrophobicContact CD2-CE2 4.02Å; L229-F233 WeakPolarHBondContact O-CD2 3.31Å; L229-C256 HydrophobicContact CD1-CB 4.3Å; L229-K259 HydrophobicContact CB-CG 4.36Å; L229-K259 HydrophobicContact CD1-CB 4.38Å; L229-K259 HydrophobicContact CD1-CG 4.43Å; L229-L260 HydrophobicContact CD1-CD2 4.43Å; L229-L260 HydrophobicContact CD1-CG 4.27Å; L229-L260 HydrophobicContact CD2-CD2 3.96Å
230	E	73.4	Confident	75.3	Confident	58 Å²	58	64.5 Å²	64.5	27%	0.271	33%	0.334	S	S	.	.	H	α-helix	trans	-62.5	-50.2	-176.4	-55	-177.3	155.7	0	0	113.7	A226 E227 F232 F233 N234 K236	A226-E230 WeakPolarHBondContact O-CG 3.32Å; A226-E230 PolarHBondContact O-N 3.23Å; E227-E230 PolarHBondContact O-N 3.04Å; E230-F232 VanDerWaalsContact C-N 3.33Å; E230-F232 PolarHBondContact O-N 3.24Å; E230-F233 PolarHBondContact O-N 3.4Å; E230-N234 PolarHBondContact O-N 3.24Å; E230-K236 VanDerWaalsContact OE1-CG 3.24Å; E230-K236 WeakPolarHBondContact OE1-CG 3.18Å
231	P	66.8	Low	75.7	Confident	109 Å²	109	64.3 Å²	64.3	71%	0.708	33%	0.332	S	S	*	.	H	α-helix	trans	-67.5	-31.7	-174.9	-20.7	32.7	0	0	0	113.5	E227 T228 F233	E227-P231 WeakPolarHBondContact O-CD 3.34Å; T228-P231 WeakPolarHBondContact O-CD 3.2Å; P231-F233 PolarHBondContact O-N 3.13Å
232	F	63.6	Low	76.1	Confident	145 Å²	145	63.9 Å²	63.9	64%	0.636	32%	0.321	S	S	*	.	H	α-helix	trans	-68.5	-21	-176.6	-75.4	-79.5	0	0	0	112.7	T228 E230	T228-F232 HydrophobicContact CG2-CE2 4.27Å; T228-F232 WeakPolarHBondContact O-CD2 3.18Å; E230-F232 VanDerWaalsContact C-N 3.33Å; E230-F232 PolarHBondContact O-N 3.24Å
233	F	58.5	Low	76.7	Confident	64 Å²	64	64.7 Å²	64.7	28%	0.281	33%	0.33	S	S	.	.	H	α-helix	trans	-139.3	9.9	-161.9	-53.9	-63.6	0	0	0	116.7	L229 E230 P231 F235 K259 V263	L229-F233 HydrophobicContact CD2-CE2 4.02Å; L229-F233 WeakPolarHBondContact O-CD2 3.31Å; E230-F233 PolarHBondContact O-N 3.4Å; P231-F233 PolarHBondContact O-N 3.13Å; F233-F235 PolarHBondContact O-N 2.84Å; F233-K259 HydrophobicContact CB-CD 4.43Å; F233-K259 VanDerWaalsContact CB-NZ 3.29Å; F233-K259 HydrophobicContact CD2-CD 4.29Å; F233-K259 VanDerWaalsContact CD2-CE 3.48Å; F233-K259 HydrophobicContact CD2-CG 4.16Å; F233-K259 HydrophobicContact CG-CD 4.45Å; F233-V263 HydrophobicContact CD1-CG2 4.11Å; F233-V263 HydrophobicContact CD2-CG2 4.11Å; F233-V263 HydrophobicContact CE1-CB 4.12Å; F233-V263 HydrophobicContact CE1-CG1 3.82Å; F233-V263 HydrophobicContact CE1-CG2 3.35Å; F233-V263 HydrophobicContact CE2-CG2 3.35Å; F233-V263 HydrophobicContact CG-CG2 4.49Å; F233-V263 HydrophobicContact CZ-CB 3.85Å; F233-V263 HydrophobicContact CZ-CG1 3.52Å; F233-V263 HydrophobicContact CZ-CG2 2.96Å
234	N	57.4	Low	77.2	Confident	169 Å²	169	65.4 Å²	65.4	90%	0.904	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.4	31.7	176.4	-158.7	45.6	0	0	0	114	E230	E230-N234 PolarHBondContact O-N 3.24Å
235	F	58.6	Low	77.8	Confident	121 Å²	121	64.4 Å²	64.4	53%	0.531	32%	0.322	S	S	.	.			trans	-138.9	121.4	177.6	-176	-92.2	0	0	0	108	F233	F233-F235 PolarHBondContact O-N 2.84Å
236	K	66.3	Low	78.6	Confident	121 Å²	121	64.3 Å²	64.3	53%	0.526	32%	0.322	S	S	.	.			trans	-79.4	119.8	-178.2	-166.2	-175.2	177.7	-165.5	0	108.9	E230 E238	E230-K236 VanDerWaalsContact OE1-CG 3.24Å; E230-K236 WeakPolarHBondContact OE1-CG 3.18Å; K236-E238 HydrophobicContact CD-CB 4.11Å; K236-E238 HydrophobicContact CG-CB 4.21Å; K236-E238 IonicContact NZ-OE1 2.79Å; K236-E238 PolarHBondContact NZ-OE1 3.29Å; K236-E238 PolarHBondContact O-N 3.11Å
237	V	75	Confident	79.4	Confident	3 Å²	3	64.3 Å²	64.3	2%	0.018	32%	0.322	C	S	.	.			trans	-75.9	76.4	164.7	-179.2	0	0	0	0	106.7	A226 R239 I252 L255	A226-V237 HydrophobicContact CB-CB 4.01Å; A226-V237 HydrophobicContact CB-CG1 3.85Å; V237-R239 PolarHBondContact O-N 3.19Å; V237-I252 HydrophobicContact CG1-CG2 4.15Å; V237-L255 HydrophobicContact CG1-CB 3.9Å; V237-L255 HydrophobicContact CG1-CD1 4.37Å
238	E	80.5	Confident	80.1	Confident	109 Å²	109	59.7 Å²	59.7	51%	0.509	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-73.4	124.1	-178	-177.1	157.8	-124.4	0	0	110.3	K236 K240	K236-E238 HydrophobicContact CD-CB 4.11Å; K236-E238 HydrophobicContact CG-CB 4.21Å; K236-E238 IonicContact NZ-OE1 2.79Å; K236-E238 PolarHBondContact NZ-OE1 3.29Å; K236-E238 PolarHBondContact O-N 3.11Å; E238-K240 PolarHBondContact O-N 2.9Å; E238-K240 VanDerWaalsContact O-N 3.13Å
239	R	87.7	Confident	81	Confident	50 Å²	50	57.8 Å²	57.8	19%	0.189	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-58.6	117.4	169.2	179.1	167.7	-67.6	-85.8	10	109.8	Q223 V237 S248 D249 I252	Q223-R239 VanDerWaalsContact OE1-NH2 3.14Å; V237-R239 PolarHBondContact O-N 3.19Å; R239-S248 PolarHBondContact NH1-OG 2.96Å; R239-D249 IonicContact CZ-OD1 3.19Å; R239-D249 IonicContact NH1-OD1 3.78Å; R239-D249 PolarHBondContact NH1-OD1 3.25Å; R239-D249 IonicContact NH1-OD2 2.67Å; R239-D249 IonicContact NH2-OD1 2.83Å; R239-D249 PolarHBondContact NH2-OD1 2.97Å; R239-I252 HydrophobicContact CB-CD1 3.59Å; R239-I252 HydrophobicContact CG-CD1 3.78Å
240	K	87.3	Confident	82.2	Confident	73 Å²	73	57.6 Å²	57.6	32%	0.317	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-97.1	121.4	167.5	-69.1	178	-177.6	173.5	0	108.6	Y26 E238 S248 M251	Y26-K240 HydrophobicContact CD1-CB 3.77Å; Y26-K240 HydrophobicContact CD1-CD 3.99Å; Y26-K240 HydrophobicContact CD1-CG 3.69Å; Y26-K240 HydrophobicContact CD2-CB 4.16Å; Y26-K240 HydrophobicContact CE1-CB 4.31Å; Y26-K240 HydrophobicContact CE1-CG 4.1Å; Y26-K240 HydrophobicContact CG-CB 3.69Å; Y26-K240 HydrophobicContact CG-CD 4.46Å; Y26-K240 HydrophobicContact CG-CG 4.15Å; E238-K240 PolarHBondContact O-N 2.9Å; E238-K240 VanDerWaalsContact O-N 3.13Å; K240-S248 WeakPolarHBondContact O-CB 3.41Å; K240-S248 PolarHBondContact O-OG 3.41Å; K240-M251 HydrophobicContact CB-SD 3.64Å; K240-M251 HydrophobicContact CD-SD 3.6Å; K240-M251 VanDerWaalsContact CD-SD 3.6Å; K240-M251 HydrophobicContact CG-SD 4.18Å
241	G	89.8	Confident	83.3	Confident	17 Å²	17	54.9 Å²	54.9	18%	0.175	28%	0.275	C	S	.	.	S	Bend	trans	89.4	-165.2	-174.9	0	0	0	0	0	114.4	D20 Y26	D20-G241 WeakPolarHBondContact OD2-CA 3.24Å; Y26-G241 VanDerWaalsContact CD2-N 3.34Å; Y26-G241 VanDerWaalsContact CE2-N 3.35Å
242	V	91.7	Very high	84.6	Confident	33 Å²	33	49.8 Å²	49.8	20%	0.2	24%	0.241	C	C	.	.			trans	-97.1	132.6	-174.4	179.9	0	0	0	0	110.7	D20 A133 Q245 S248	D20-V242 HydrophobicContact CB-CG2 3.78Å; A133-V242 HydrophobicContact CB-CG1 4.45Å; A133-V242 WeakPolarHBondContact O-CG1 3.35Å; V242-Q245 HydrophobicContact CB-CG 4.22Å; V242-Q245 HydrophobicContact CG1-CG 4.49Å; V242-Q245 WeakPolarHBondContact O-CB 3.12Å; V242-Q245 PolarHBondContact O-N 3.45Å; V242-S248 WeakPolarHBondContact O-CB 3.46Å; V242-S248 PolarHBondContact O-OG 3.44Å
243	A	92.3	Very high	86.2	Confident	34 Å²	34	42.9 Å²	42.9	28%	0.281	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	146.5	173.2	0	0	0	0	0	111.4	A133 Q245	A133-A243 WeakPolarHBondContact CB-O 3.42Å; A243-Q245 VanDerWaalsContact C-N 3.27Å
244	H	93.7	Very high	87.9	Confident	80 Å²	80	39.8 Å²	39.8	37%	0.37	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.7	33.5	-171.4	-49.9	-66.5	0	0	0	112.9	E58 L130 A133 D249	E58-H244 WeakPolarHBondContact OE1-CA 3.48Å; L130-H244 HydrophobicContact CD2-CB 4.45Å; A133-H244 HydrophobicContact CB-CB 3.77Å; A133-H244 WeakPolarHBondContact CB-O 3.46Å; H244-D249 WeakPolarHBondContact CA-OD2 3.33Å; H244-D249 PolarHBondContact N-OD2 3.01Å
245	Q	96.7	Very high	89.6	Confident	13 Å²	13	33.4 Å²	33.4	6%	0.061	16%	0.163	C	C	.	.	S	Bend	trans	-124.9	125.9	159.3	-64.3	-167.2	19.2	0	0	107.3	A133 L135 V242 A243 G247 S248 D249	A133-Q245 PolarHBondContact O-NE2 2.94Å; L135-Q245 HydrophobicContact CD1-CG 4.05Å; V242-Q245 HydrophobicContact CB-CG 4.22Å; V242-Q245 HydrophobicContact CG1-CG 4.49Å; V242-Q245 WeakPolarHBondContact O-CB 3.12Å; V242-Q245 PolarHBondContact O-N 3.45Å; A243-Q245 VanDerWaalsContact C-N 3.27Å; Q245-G247 PolarHBondContact O-N 3.28Å; Q245-S248 WeakPolarHBondContact O-CB 3.15Å; Q245-S248 PolarHBondContact O-N 3.5Å; Q245-D249 PolarHBondContact N-OD2 3.49Å; Q245-D249 PolarHBondContact O-N 3.37Å
246	A	97.8	Very high	91.2	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-56.9	-33.1	-168.9	0	0	0	0	0	113.1	E58 Q90 G92 S250	E58-A246 HydrophobicContact CG-CB 4.26Å; Q90-A246 HydrophobicContact CB-CB 4.08Å; Q90-A246 HydrophobicContact CG-CB 3.97Å; G92-A246 WeakPolarHBondContact CA-O 3.35Å; G92-A246 VanDerWaalsContact N-CB 3.26Å; A246-S250 WeakPolarHBondContact O-CB 3.29Å; A246-S250 PolarHBondContact O-N 2.64Å; A246-S250 PolarHBondContact O-OG 3.46Å
247	G	97.4	Very high	92.4	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-63.6	-46.5	174.5	0	0	0	0	0	112.7	T108 Q110 Q245 S250 M251	T108-G247 WeakPolarHBondContact CG2-O 3.32Å; Q110-G247 VanDerWaalsContact OE1-CA 3.24Å; Q245-G247 PolarHBondContact O-N 3.28Å; G247-S250 PolarHBondContact O-OG 2.97Å; G247-M251 PolarHBondContact O-N 3.48Å
248	S	96.3	Very high	93.1	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-64.6	-45.3	177.1	-173.4	0	0	0	0	111.7	R239 K240 V242 Q245 M251 I252	R239-S248 PolarHBondContact NH1-OG 2.96Å; K240-S248 WeakPolarHBondContact O-CB 3.41Å; K240-S248 PolarHBondContact O-OG 3.41Å; V242-S248 WeakPolarHBondContact O-CB 3.46Å; V242-S248 PolarHBondContact O-OG 3.44Å; Q245-S248 WeakPolarHBondContact O-CB 3.15Å; Q245-S248 PolarHBondContact O-N 3.5Å; S248-M251 WeakPolarHBondContact O-CB 3.5Å; S248-M251 PolarHBondContact O-N 3.26Å; S248-I252 PolarHBondContact O-N 2.95Å; S248-I252 VanDerWaalsContact O-N 3.15Å
249	D	97.1	Very high	93.3	Very high	11 Å²	11	18.1 Å²	18.1	6%	0.059	10%	0.095	C	C	.	.	H	α-helix	trans	-72.1	-35.8	-176.9	-74.9	-50.5	0	0	0	112.9	D56 L222 R239 H244 Q245 M251 I252 T253	D56-D249 HydrophobicContact CB-CB 4.1Å; D56-D249 VanDerWaalsContact CG-CB 3.48Å; D56-D249 WeakPolarHBondContact OD2-CB 3.41Å; L222-D249 HydrophobicContact CD2-CB 4Å; L222-D249 WeakPolarHBondContact CD2-O 3.46Å; R239-D249 IonicContact CZ-OD1 3.19Å; R239-D249 IonicContact NH1-OD1 3.78Å; R239-D249 PolarHBondContact NH1-OD1 3.25Å; R239-D249 IonicContact NH1-OD2 2.67Å; R239-D249 IonicContact NH2-OD1 2.83Å; R239-D249 PolarHBondContact NH2-OD1 2.97Å; H244-D249 WeakPolarHBondContact CA-OD2 3.33Å; H244-D249 PolarHBondContact N-OD2 3.01Å; Q245-D249 PolarHBondContact N-OD2 3.49Å; Q245-D249 PolarHBondContact O-N 3.37Å; D249-M251 VanDerWaalsContact C-N 3.28Å; D249-M251 PolarHBondContact O-N 2.95Å; D249-I252 PolarHBondContact O-N 3.25Å; D249-T253 WeakPolarHBondContact O-CB 3.32Å; D249-T253 PolarHBondContact O-N 3.1Å; D249-T253 PolarHBondContact O-OG1 2.81Å
250	S	98	Very high	93.1	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-61.9	-37.5	170.4	62.9	0	0	0	0	111.8	A54 G92 S94 A246 G247 T253 G254	A54-S250 WeakPolarHBondContact CB-O 3.32Å; A54-S250 WeakPolarHBondContact O-CB 3.39Å; G92-S250 VanDerWaalsContact O-CB 3.29Å; G92-S250 WeakPolarHBondContact O-CB 3.28Å; S94-S250 PolarHBondContact OG-OG 3.4Å; A246-S250 WeakPolarHBondContact O-CB 3.29Å; A246-S250 PolarHBondContact O-N 2.64Å; A246-S250 PolarHBondContact O-OG 3.46Å; G247-S250 PolarHBondContact O-OG 2.97Å; S250-T253 WeakPolarHBondContact O-CB 3.39Å; S250-T253 PolarHBondContact O-N 3.36Å; S250-G254 PolarHBondContact O-N 3.21Å; S250-G254 VanDerWaalsContact O-N 3.11Å
251	M	96.7	Very high	92.8	Very high	1 Å²	1	15.5 Å²	15.5	1%	0.005	8%	0.083	C	C	.	.	H	α-helix	trans	-64.7	-46.1	177.7	-169.7	179.2	-62.2	0	0	111.2	I28 S94 N107 T108 K240 G247 S248 D249 T253 G254 L255	I28-M251 HydrophobicContact CD1-CE 4.36Å; I28-M251 HydrophobicContact CG1-CE 3.87Å; S94-M251 WeakPolarHBondContact OG-CA 3.33Å; S94-M251 PolarHBondContact OG-N 3.49Å; S94-M251 VanDerWaalsContact OG-N 3.11Å; N107-M251 WeakPolarHBondContact OD1-CE 3.29Å; T108-M251 WeakPolarHBondContact OG1-CE 3.29Å; K240-M251 HydrophobicContact CB-SD 3.64Å; K240-M251 HydrophobicContact CD-SD 3.6Å; K240-M251 VanDerWaalsContact CD-SD 3.6Å; K240-M251 HydrophobicContact CG-SD 4.18Å; G247-M251 PolarHBondContact O-N 3.48Å; S248-M251 WeakPolarHBondContact O-CB 3.5Å; S248-M251 PolarHBondContact O-N 3.26Å; D249-M251 VanDerWaalsContact C-N 3.28Å; D249-M251 PolarHBondContact O-N 2.95Å; M251-T253 VanDerWaalsContact C-N 3.3Å; M251-T253 PolarHBondContact O-N 3.42Å; M251-G254 PolarHBondContact O-N 3.38Å; M251-L255 HydrophobicContact CG-CD1 4.26Å; M251-L255 WeakPolarHBondContact O-CG 3.28Å; M251-L255 PolarHBondContact O-N 3.02Å
252	I	94.9	Very high	92.2	Very high	1 Å²	1	21 Å²	21	1%	0.005	10%	0.104	C	C	.	.	H	α-helix	trans	-62.3	-40	175.3	-64.8	-166.5	0	0	0	111.2	L222 A226 V237 R239 S248 D249 G254 L255 C256	L222-I252 HydrophobicContact CD1-CG2 3.85Å; L222-I252 HydrophobicContact CD2-CB 4.17Å; L222-I252 HydrophobicContact CD2-CG2 4.15Å; L222-I252 HydrophobicContact CG-CB 4.34Å; L222-I252 HydrophobicContact CG-CG2 3.77Å; A226-I252 HydrophobicContact CB-CG2 4Å; V237-I252 HydrophobicContact CG1-CG2 4.15Å; R239-I252 HydrophobicContact CB-CD1 3.59Å; R239-I252 HydrophobicContact CG-CD1 3.78Å; S248-I252 PolarHBondContact O-N 2.95Å; S248-I252 VanDerWaalsContact O-N 3.15Å; D249-I252 PolarHBondContact O-N 3.25Å; I252-G254 VanDerWaalsContact C-N 3.31Å; I252-G254 PolarHBondContact O-N 3.26Å; I252-L255 PolarHBondContact O-N 3.21Å; I252-C256 WeakPolarHBondContact O-CB 2.98Å; I252-C256 PolarHBondContact O-N 3.23Å; I252-C256 PolarHBondContact O-SG 3.4Å; I252-C256 VanDerWaalsContact O-SG 3.4Å
253	T	95.5	Very high	91.1	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-55.3	-47.4	177	-67.4	0	0	0	0	111.4	A54 L168 F170 V209 D249 S250 M251 F257	A54-T253 HydrophobicContact CB-CG2 4.29Å; L168-T253 HydrophobicContact CB-CG2 4.39Å; F170-T253 HydrophobicContact CB-CG2 4.19Å; V209-T253 HydrophobicContact CG2-CG2 4.03Å; D249-T253 WeakPolarHBondContact O-CB 3.32Å; D249-T253 PolarHBondContact O-N 3.1Å; D249-T253 PolarHBondContact O-OG1 2.81Å; S250-T253 WeakPolarHBondContact O-CB 3.39Å; S250-T253 PolarHBondContact O-N 3.36Å; M251-T253 VanDerWaalsContact C-N 3.3Å; M251-T253 PolarHBondContact O-N 3.42Å; T253-F257 PolarHBondContact O-N 2.9Å; T253-F257 VanDerWaalsContact O-N 3.07Å
254	G	95.5	Very high	89.8	Confident	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-64.6	-45.7	175.7	0	0	0	0	0	113.2	S250 M251 I252 C256 F257 F258	S250-G254 PolarHBondContact O-N 3.21Å; S250-G254 VanDerWaalsContact O-N 3.11Å; M251-G254 PolarHBondContact O-N 3.38Å; I252-G254 VanDerWaalsContact C-N 3.31Å; I252-G254 PolarHBondContact O-N 3.26Å; G254-C256 VanDerWaalsContact C-N 3.34Å; G254-C256 PolarHBondContact O-N 2.99Å; G254-F257 WeakPolarHBondContact O-CB 3.41Å; G254-F257 PolarHBondContact O-N 2.68Å; G254-F257 VanDerWaalsContact O-N 3.13Å; G254-F258 VanDerWaalsContact O-CD2 3.29Å; G254-F258 WeakPolarHBondContact O-CD2 3.49Å; G254-F258 PolarHBondContact O-N 2.9Å
255	L	93.2	Very high	88	Confident	35 Å²	35	18.4 Å²	18.4	18%	0.183	10%	0.102	C	C	.	.	H	α-helix	trans	-60.3	-42.8	177.9	-67.3	171.8	0	0	0	112.1	F96 V237 M251 I252 F257 K259	F96-L255 HydrophobicContact CE1-CD2 4.01Å; F96-L255 HydrophobicContact CE1-CG 4.29Å; F96-L255 HydrophobicContact CZ-CG 4.46Å; V237-L255 HydrophobicContact CG1-CB 3.9Å; V237-L255 HydrophobicContact CG1-CD1 4.37Å; M251-L255 HydrophobicContact CG-CD1 4.26Å; M251-L255 WeakPolarHBondContact O-CG 3.28Å; M251-L255 PolarHBondContact O-N 3.02Å; I252-L255 PolarHBondContact O-N 3.21Å; L255-F257 PolarHBondContact O-N 3.11Å; L255-K259 WeakPolarHBondContact O-CB 3.31Å; L255-K259 PolarHBondContact O-N 3.38Å
256	C	90.9	Very high	85.7	Confident	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-60.8	-42.4	174.1	-77.1	0	0	0	0	111.8	V209 L229 I252 G254 K259 L260	V209-C256 HydrophobicContact CG1-CB 4.09Å; L229-C256 HydrophobicContact CD1-CB 4.3Å; I252-C256 WeakPolarHBondContact O-CB 2.98Å; I252-C256 PolarHBondContact O-N 3.23Å; I252-C256 PolarHBondContact O-SG 3.4Å; I252-C256 VanDerWaalsContact O-SG 3.4Å; G254-C256 VanDerWaalsContact C-N 3.34Å; G254-C256 PolarHBondContact O-N 2.99Å; C256-K259 PolarHBondContact O-N 3.17Å; C256-L260 VanDerWaalsContact O-CG 3.25Å; C256-L260 WeakPolarHBondContact O-CG 3.33Å; C256-L260 PolarHBondContact O-N 3.08Å
257	F	91.6	Very high	83.4	Confident	2 Å²	2	32.9 Å²	32.9	1%	0.009	16%	0.164	C	C	.	.	H	α-helix	trans	-59.8	-53.8	177.1	172.9	-95.2	0	0	0	112.3	L168 Y207 V209 M212 T253 G254 L255 K259 L260 R261 L271	L168-F257 HydrophobicContact CD1-CB 3.64Å; L168-F257 HydrophobicContact CD1-CD1 3.57Å; L168-F257 HydrophobicContact CD1-CD2 4.28Å; L168-F257 HydrophobicContact CD1-CE1 4.33Å; L168-F257 HydrophobicContact CD1-CG 3.55Å; L168-F257 HydrophobicContact CD2-CB 4.44Å; L168-F257 HydrophobicContact CD2-CD1 3.99Å; L168-F257 HydrophobicContact CD2-CD2 3.57Å; L168-F257 HydrophobicContact CD2-CE1 4.14Å; L168-F257 HydrophobicContact CD2-CE2 3.72Å; L168-F257 HydrophobicContact CD2-CG 3.72Å; L168-F257 HydrophobicContact CD2-CZ 4.02Å; L168-F257 HydrophobicContact CG-CD1 4.44Å; L168-F257 HydrophobicContact CG-CG 4.24Å; Y207-F257 HydrophobicContact CG-CE2 4.26Å; V209-F257 HydrophobicContact CG2-CB 3.82Å; V209-F257 HydrophobicContact CG2-CD2 4.27Å; M212-F257 HydrophobicContact CE-CD2 3.62Å; M212-F257 HydrophobicContact CE-CE2 3.59Å; M212-F257 HydrophobicContact SD-CD2 3.68Å; M212-F257 HydrophobicContact SD-CE2 3.78Å; T253-F257 PolarHBondContact O-N 2.9Å; T253-F257 VanDerWaalsContact O-N 3.07Å; G254-F257 WeakPolarHBondContact O-CB 3.41Å; G254-F257 PolarHBondContact O-N 2.68Å; G254-F257 VanDerWaalsContact O-N 3.13Å; L255-F257 PolarHBondContact O-N 3.11Å; F257-K259 PolarHBondContact O-N 3.18Å; F257-L260 WeakPolarHBondContact O-CB 3.28Å; F257-L260 PolarHBondContact O-N 2.72Å; F257-R261 PolarHBondContact O-N 3.07Å; F257-L271 HydrophobicContact CE1-CD2 4.25Å; F257-L271 HydrophobicContact CZ-CD2 3.59Å; F257-L271 HydrophobicContact CZ-CG 4.3Å
258	F	90.2	Very high	81.1	Confident	13 Å²	13	37.6 Å²	37.6	6%	0.057	20%	0.196	C	C	.	.	H	α-helix	trans	-62.8	-34.3	180	-78.3	-75.2	0	0	0	111.1	I52 F96 S97 G100 G254 R261 E262	I52-F258 HydrophobicContact CB-CE2 4.43Å; I52-F258 HydrophobicContact CB-CZ 4.07Å; I52-F258 HydrophobicContact CG1-CZ 4.03Å; I52-F258 HydrophobicContact CG2-CE2 3.92Å; I52-F258 HydrophobicContact CG2-CZ 3.83Å; F96-F258 HydrophobicContact CB-CD2 4.38Å; F96-F258 HydrophobicContact CB-CE2 3.44Å; F96-F258 VanDerWaalsContact CB-CE2 3.44Å; F96-F258 HydrophobicContact CB-CZ 3.9Å; F96-F258 HydrophobicContact CD1-CD2 4.09Å; F96-F258 AromaticContact CD1-CE2 3.95Å; F96-F258 HydrophobicContact CD1-CE2 3.95Å; F96-F258 HydrophobicContact CD2-CE2 4.36Å; F96-F258 HydrophobicContact CG-CD2 4.26Å; F96-F258 AromaticContact CG-CE2 3.68Å; F96-F258 HydrophobicContact CG-CE2 3.68Å; S97-F258 VanDerWaalsContact O-CZ 3.22Å; S97-F258 WeakPolarHBondContact O-CZ 3.38Å; G100-F258 VanDerWaalsContact CA-CG 3.5Å; G100-F258 VanDerWaalsContact CA-CZ 3.44Å; G254-F258 VanDerWaalsContact O-CD2 3.29Å; G254-F258 WeakPolarHBondContact O-CD2 3.49Å; G254-F258 PolarHBondContact O-N 2.9Å; F258-R261 WeakPolarHBondContact O-CB 3.49Å; F258-R261 PolarHBondContact O-N 3.32Å; F258-E262 PolarHBondContact O-N 2.83Å; F258-E262 VanDerWaalsContact O-N 3.08Å
259	K	84.3	Confident	79	Confident	17 Å²	17	39.2 Å²	39.2	7%	0.074	21%	0.205	C	C	.	.	H	α-helix	trans	-63.5	-50.4	174.5	-166.5	53.8	171	-179.1	0	111.9	L229 F233 L255 C256 F257 R261 E262 V263	L229-K259 HydrophobicContact CB-CG 4.36Å; L229-K259 HydrophobicContact CD1-CB 4.38Å; L229-K259 HydrophobicContact CD1-CG 4.43Å; F233-K259 HydrophobicContact CB-CD 4.43Å; F233-K259 VanDerWaalsContact CB-NZ 3.29Å; F233-K259 HydrophobicContact CD2-CD 4.29Å; F233-K259 VanDerWaalsContact CD2-CE 3.48Å; F233-K259 HydrophobicContact CD2-CG 4.16Å; F233-K259 HydrophobicContact CG-CD 4.45Å; L255-K259 WeakPolarHBondContact O-CB 3.31Å; L255-K259 PolarHBondContact O-N 3.38Å; C256-K259 PolarHBondContact O-N 3.17Å; F257-K259 PolarHBondContact O-N 3.18Å; K259-R261 PolarHBondContact O-N 3.36Å; K259-E262 WeakPolarHBondContact CD-OE2 3.26Å; K259-E262 IonicContact NZ-OE2 2.7Å; K259-E262 PolarHBondContact NZ-OE2 3.36Å; K259-E262 WeakPolarHBondContact O-CB 3.34Å; K259-E262 PolarHBondContact O-N 3.2Å; K259-E262 VanDerWaalsContact O-N 3.14Å; K259-V263 VanDerWaalsContact O-CG2 3.32Å; K259-V263 WeakPolarHBondContact O-CG2 3.26Å; K259-V263 PolarHBondContact O-N 3.14Å
260	L	83.8	Confident	76.9	Confident	3 Å²	3	45.2 Å²	45.2	2%	0.016	23%	0.232	C	C	.	.	H	α-helix	trans	-56	-33.4	174.9	-71.5	163.4	0	0	0	112.3	V209 M212 V213 M218 L229 C256 F257 V263 G264	V209-L260 HydrophobicContact CG1-CD1 3.71Å; M212-L260 HydrophobicContact CB-CD1 4.26Å; M212-L260 HydrophobicContact CE-CB 4.41Å; M212-L260 HydrophobicContact CE-CD1 4.5Å; V213-L260 HydrophobicContact CG2-CD1 3.55Å; V213-L260 HydrophobicContact CG2-CD2 4.2Å; V213-L260 HydrophobicContact CG2-CG 4.45Å; M218-L260 HydrophobicContact CE-CD2 3.66Å; L229-L260 HydrophobicContact CD1-CD2 4.43Å; L229-L260 HydrophobicContact CD1-CG 4.27Å; L229-L260 HydrophobicContact CD2-CD2 3.96Å; C256-L260 VanDerWaalsContact O-CG 3.25Å; C256-L260 WeakPolarHBondContact O-CG 3.33Å; C256-L260 PolarHBondContact O-N 3.08Å; F257-L260 WeakPolarHBondContact O-CB 3.28Å; F257-L260 PolarHBondContact O-N 2.72Å; L260-V263 PolarHBondContact O-N 3.37Å; L260-G264 VanDerWaalsContact O-CA 3.3Å; L260-G264 WeakPolarHBondContact O-CA 3.27Å; L260-G264 PolarHBondContact O-N 3.33Å
261	R	81.3	Confident	74.7	Confident	65 Å²	65	46.6 Å²	46.6	25%	0.245	24%	0.239	C	C	.	.	H	α-helix	trans	-69.4	-40.5	177.8	-166.3	-179	71.4	172.4	2.1	112.9	E98 T99 F257 F258 K259 V263 G264 G265	E98-R261 VanDerWaalsContact O-CZ 3.23Å; E98-R261 PolarHBondContact O-NH1 2.82Å; E98-R261 PolarHBondContact O-NH2 3.1Å; T99-R261 PolarHBondContact O-NH2 3.46Å; F257-R261 PolarHBondContact O-N 3.07Å; F258-R261 WeakPolarHBondContact O-CB 3.49Å; F258-R261 PolarHBondContact O-N 3.32Å; K259-R261 PolarHBondContact O-N 3.36Å; R261-V263 PolarHBondContact O-N 2.91Å; R261-G264 PolarHBondContact O-N 3.06Å; R261-G264 VanDerWaalsContact O-N 3.16Å; R261-G265 PolarHBondContact O-N 3.41Å
262	E	77.9	Confident	72.5	Confident	134 Å²	134	50.2 Å²	50.2	63%	0.626	27%	0.265	S	S	*	.	H	α-helix	trans	-57.6	-38.9	174.3	-70.2	175.8	179.2	0	0	111.6	F258 K259	F258-E262 PolarHBondContact O-N 2.83Å; F258-E262 VanDerWaalsContact O-N 3.08Å; K259-E262 WeakPolarHBondContact CD-OE2 3.26Å; K259-E262 IonicContact NZ-OE2 2.7Å; K259-E262 PolarHBondContact NZ-OE2 3.36Å; K259-E262 WeakPolarHBondContact O-CB 3.34Å; K259-E262 PolarHBondContact O-N 3.2Å; K259-E262 VanDerWaalsContact O-N 3.14Å
263	V	68.8	Low	70	Confident	30 Å²	30	61.5 Å²	61.5	18%	0.182	32%	0.317	C	S	.	.	H	α-helix	trans	-75.3	-41.4	174.2	-161.8	0	0	0	0	111.5	F233 K259 L260 R261 G265 H266 Y267	F233-V263 HydrophobicContact CD1-CG2 4.11Å; F233-V263 HydrophobicContact CD2-CG2 4.11Å; F233-V263 HydrophobicContact CE1-CB 4.12Å; F233-V263 HydrophobicContact CE1-CG1 3.82Å; F233-V263 HydrophobicContact CE1-CG2 3.35Å; F233-V263 HydrophobicContact CE2-CG2 3.35Å; F233-V263 HydrophobicContact CG-CG2 4.49Å; F233-V263 HydrophobicContact CZ-CB 3.85Å; F233-V263 HydrophobicContact CZ-CG1 3.52Å; F233-V263 HydrophobicContact CZ-CG2 2.96Å; K259-V263 VanDerWaalsContact O-CG2 3.32Å; K259-V263 WeakPolarHBondContact O-CG2 3.26Å; K259-V263 PolarHBondContact O-N 3.14Å; L260-V263 PolarHBondContact O-N 3.37Å; R261-V263 PolarHBondContact O-N 2.91Å; V263-G265 PolarHBondContact O-N 2.75Å; V263-G265 VanDerWaalsContact O-N 3.14Å; V263-H266 WeakPolarHBondContact O-CB 3.1Å; V263-H266 PolarHBondContact O-CD2 3.23Å; V263-H266 PolarHBondContact O-N 3.35Å; V263-Y267 HydrophobicContact CG1-CE2 4.34Å
264	G	63.4	Low	68.7	Low	1 Å²	1	64.6 Å²	64.6	1%	0.01	33%	0.333	C	S	.	.	H	α-helix	trans	-68.6	-6.2	-171.9	0	0	0	0	0	114.1	L260 R261 H266 Y267 C268 I269	L260-G264 VanDerWaalsContact O-CA 3.3Å; L260-G264 WeakPolarHBondContact O-CA 3.27Å; L260-G264 PolarHBondContact O-N 3.33Å; R261-G264 PolarHBondContact O-N 3.06Å; R261-G264 VanDerWaalsContact O-N 3.16Å; G264-H266 PolarHBondContact O-N 2.82Å; G264-H266 VanDerWaalsContact O-N 3.12Å; G264-Y267 CarbonylContact O-C 3.56Å; G264-Y267 WeakPolarHBondContact O-CA 3.38Å; G264-Y267 PolarHBondContact O-N 3.08Å; G264-C268 PolarHBondContact O-N 3.31Å; G264-I269 PolarHBondContact O-N 3.22Å
265	G	57	Low	67.3	Low	60 Å²	60	67.9 Å²	67.9	62%	0.619	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.6	-26.8	157.4	0	0	0	0	0	112.5	R261 V263	R261-G265 PolarHBondContact O-N 3.41Å; V263-G265 PolarHBondContact O-N 2.75Å; V263-G265 VanDerWaalsContact O-N 3.14Å
266	H	48	Very low	65.9	Low	169 Å²	169	69.8 Å²	69.8	78%	0.782	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-17.1	170.9	-65.3	-67.9	0	0	0	115	V263 G264	V263-H266 WeakPolarHBondContact O-CB 3.1Å; V263-H266 PolarHBondContact O-CD2 3.23Å; V263-H266 PolarHBondContact O-N 3.35Å; G264-H266 PolarHBondContact O-N 2.82Å; G264-H266 VanDerWaalsContact O-N 3.12Å
267	Y	48.7	Very low	64.4	Low	148 Å²	148	73.9 Å²	73.9	58%	0.58	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.4	13.6	-174.9	-64	-77.8	0	0	0	113.9	V263 G264 I269	V263-Y267 HydrophobicContact CG1-CE2 4.34Å; G264-Y267 CarbonylContact O-C 3.56Å; G264-Y267 WeakPolarHBondContact O-CA 3.38Å; G264-Y267 PolarHBondContact O-N 3.08Å; Y267-I269 VanDerWaalsContact C-N 3.32Å; Y267-I269 PolarHBondContact O-N 3.34Å
268	C	49.5	Very low	62.7	Low	99 Å²	99	78.4 Å²	78.4	67%	0.669	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	39.6	179.6	-62.7	0	0	0	0	114.8	G264 H270	G264-C268 PolarHBondContact O-N 3.31Å; C268-H270 VanDerWaalsContact C-N 3.32Å; C268-H270 PolarHBondContact O-N 3.11Å; C268-H270 VanDerWaalsContact O-N 3.07Å
269	I	52.4	Low	60.9	Low	35 Å²	35	82.7 Å²	82.7	18%	0.179	43%	0.427	C	S	.	.			trans	-80.8	84.8	169.4	-58.6	174.5	0	0	0	107.9	M212 G264 Y267	M212-I269 HydrophobicContact CE-CD1 3.95Å; M212-I269 HydrophobicContact CE-CG2 3.32Å; G264-I269 PolarHBondContact O-N 3.22Å; Y267-I269 VanDerWaalsContact C-N 3.32Å; Y267-I269 PolarHBondContact O-N 3.34Å
270	H	52.6	Low	59.2	Low	136 Å²	136	87.4 Å²	87.4	63%	0.63	45%	0.452	S	S	*	.			trans	-97	141.5	171.2	-62.6	-69.4	0	0	0	110	C268 S272	C268-H270 VanDerWaalsContact C-N 3.32Å; C268-H270 PolarHBondContact O-N 3.11Å; C268-H270 VanDerWaalsContact O-N 3.07Å; H270-S272 PolarHBondContact O-N 3.41Å
271	L	52.1	Low	57.3	Low	29 Å²	29	93.9 Å²	93.9	15%	0.152	49%	0.486	C	S	.	.			trans	-64.3	106.5	158.4	-67.5	171.2	0	0	0	105.9	I52 E98 K166 Y207 F257 H273	I52-L271 HydrophobicContact CD1-CD1 4.19Å; E98-L271 WeakPolarHBondContact OE2-CD1 3.48Å; K166-L271 HydrophobicContact CD-CB 4.19Å; K166-L271 HydrophobicContact CD-CD1 3.86Å; K166-L271 HydrophobicContact CD-CD2 3.69Å; K166-L271 HydrophobicContact CD-CG 4.12Å; Y207-L271 HydrophobicContact CD2-CD2 3.98Å; Y207-L271 HydrophobicContact CE1-CD2 4.37Å; Y207-L271 HydrophobicContact CE2-CD2 3.28Å; Y207-L271 WeakPolarHBondContact OH-CA 3.37Å; F257-L271 HydrophobicContact CE1-CD2 4.25Å; F257-L271 HydrophobicContact CZ-CD2 3.59Å; F257-L271 HydrophobicContact CZ-CG 4.3Å; L271-H273 PolarHBondContact O-N 2.81Å
272	S	52	Low	55.3	Low	77 Å²	77	96.3 Å²	96.3	54%	0.538	51%	0.506	S	S	.	.			trans	-60.5	127.7	166.3	52.6	0	0	0	0	108.2	Y207 H270	Y207-S272 PolarHBondContact OH-N 2.87Å; Y207-S272 PolarHBondContact OH-OG 3.04Å; H270-S272 PolarHBondContact O-N 3.41Å
273	H	41.4	Very low	53.3	Low	238 Å²	238	92.9 Å²	92.9	100%	1.102	50%	0.495	S	S	*	.			trans	-56.9	0	165.6	-66	-61.9	0	0	0	111.1	L271	L271-H273 PolarHBondContact O-N 2.81Å

Retrieved 273 of 273 residues in 286.6 ms (Link to these results)

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