A0A087YIQ5_POEFO Loading...

Lipase maturation factor

Involved in the maturation of specific proteins in the endoplasmic reticulum.

AlphaFold DB , UniProt , Accession A0A087YIQ5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 580 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	S	34.1	Very low	28.3	Very low	163 Å²	163	120.9 Å²	120.9	100%	1.14	81%	0.805	S	S	*	*				0	119.5	0	-44.4	0	0	0	0	107.1
2	V	27.8	Very low	28.5	Very low	137 Å²	137	124.9 Å²	124.9	83%	0.83	80%	0.804	S	S	*	*				54.7	124.3	79.9	179.6	0	0	0	0	110.2
3	N	23.8	Very low	28.4	Very low	128 Å²	128	123.8 Å²	123.8	68%	0.684	80%	0.801	S	S	*	*			cis	167.9	149.5	-20.2	-123.2	0.6	0	0	0	104.6
4	M	26.4	Very low	28.5	Very low	163 Å²	163	121.2 Å²	121.2	80%	0.803	79%	0.788	S	S	*	*			trans	65.6	131.9	155.7	-66.4	169	-177.5	0	0	117
5	A	29.6	Very low	28.6	Very low	90 Å²	90	121.3 Å²	121.3	74%	0.744	79%	0.785	S	S	*	*				72.6	146.1	61.5	0	0	0	0	0	112.1
6	T	30.4	Very low	28.6	Very low	137 Å²	137	128.1 Å²	128.1	84%	0.84	79%	0.79	S	S	*	*			cis	-138.9	-165.6	30.3	53.6	0	0	0	0	111.4
7	S	27.3	Very low	28.6	Very low	112 Å²	112	132.9 Å²	132.9	78%	0.783	80%	0.798	S	S	*	*			cis	-152.7	-178.1	7.4	56.3	0	0	0	0	109.1
8	A	26.8	Very low	28.6	Very low	83 Å²	83	138.9 Å²	138.9	69%	0.686	80%	0.804	S	S	*	*			cis	-149	148.3	7.2	0	0	0	0	0	110.2
9	A	28.7	Very low	28.5	Very low	102 Å²	102	144 Å²	144	84%	0.843	81%	0.808	S	S	*	*				67.3	136.5	108.1	0	0	0	0	0	116.8
10	A	28.4	Very low	28.5	Very low	87 Å²	87	143.1 Å²	143.1	72%	0.719	81%	0.806	S	S	*	*			cis	-175.2	-177.7	-3.6	0	0	0	0	0	107.3
11	T	28.3	Very low	28.4	Very low	128 Å²	128	143.7 Å²	143.7	79%	0.785	81%	0.807	S	S	*	*			cis	178.8	154.3	-22.8	33	0	0	0	0	106
12	E	30.1	Very low	28.2	Very low	169 Å²	169	140.6 Å²	140.6	79%	0.79	79%	0.786	S	S	*	*			cis	-151.1	-143.6	-9.4	-142.6	-161.4	-107.1	0	0	107.1
13	S	28.1	Very low	28	Very low	110 Å²	110	146.5 Å²	146.5	77%	0.769	79%	0.793	S	S	*	*			cis	-145.2	-147.2	4	73	0	0	0	0	113.4
14	S	29.1	Very low	28.2	Very low	88 Å²	88	151.6 Å²	151.6	62%	0.615	80%	0.803	S	S	*	*			trans	-140.3	122.8	-146.9	79.3	0	0	0	0	120.8
15	V	29.5	Very low	28.2	Very low	123 Å²	123	149.9 Å²	149.9	75%	0.745	80%	0.802	S	S	*	*				67.6	135.1	112.8	176	0	0	0	0	123.2
16	R	29	Very low	28.1	Very low	230 Å²	230	152.3 Å²	152.3	87%	0.868	80%	0.797	S	S	*	*			trans	73.7	136.7	152	-86.7	169.5	177.7	176.4	-1.1	123.4
17	K	29.2	Very low	27.9	Very low	210 Å²	210	154.2 Å²	154.2	91%	0.913	79%	0.794	S	S	*	*				-168.3	-178.1	101.7	-108	174	-175.8	171.9	0	114.8
18	R	27.8	Very low	27.8	Very low	241 Å²	241	158.5 Å²	158.5	91%	0.909	80%	0.802	S	S	*	*			trans	-131.4	149.1	-170.5	-81.8	177.6	164.4	176.5	-6	113.2
19	R	26.3	Very low	27.8	Very low	235 Å²	235	165.6 Å²	165.6	89%	0.887	81%	0.811	S	S	*	*			trans	144	129.8	142.7	-85.8	-175.4	164.6	163.9	-5.3	109.2
20	V	29.7	Very low	27.9	Very low	126 Å²	126	166.9 Å²	166.9	76%	0.764	81%	0.808	S	S	*	*				65.7	106.3	63.5	178.8	0	0	0	0	112.7
21	D	26.3	Very low	28.6	Very low	156 Å²	156	168.8 Å²	168.8	83%	0.834	81%	0.813	S	S	*	*				-159.3	177.6	123.3	-136.4	-40	0	0	0	112.3
22	S	28.7	Very low	28.4	Very low	98 Å²	98	166.7 Å²	166.7	69%	0.685	82%	0.816	S	S	*	*			trans	-129.1	152.1	-169.5	-47.8	0	0	0	0	113.5
23	R	24.4	Very low	28.1	Very low	260 Å²	260	162.5 Å²	162.5	98%	0.981	82%	0.819	S	S	*	*			trans	-165.1	159.9	148.9	-110.9	156.7	-158.7	-149.9	2.4	114.9
24	R	27.3	Very low	27.9	Very low	236 Å²	236	162.5 Å²	162.5	89%	0.891	82%	0.819	S	S	*	*			trans	-105.5	151.1	173.6	-65.8	166.3	162.6	172.3	-7.5	110.3
25	T	27.1	Very low	28	Very low	127 Å²	127	166.2 Å²	166.2	78%	0.779	83%	0.831	S	S	*	*				-166.5	127.3	128.3	21	0	0	0	0	106.9
26	E	26.6	Very low	28	Very low	141 Å²	141	168.6 Å²	168.6	66%	0.659	84%	0.839	S	S	*	*				54.7	106.6	91.5	-67.1	-155.8	108.3	0	0	112.9
27	K	28.1	Very low	28.1	Very low	177 Å²	177	160.7 Å²	160.7	77%	0.77	83%	0.829	S	S	*	*				94.6	120	71	-90.4	-173.6	-168.5	154.9	0	109.8
28	E	24.8	Very low	28	Very low	202 Å²	202	157.2 Å²	157.2	94%	0.944	83%	0.826	S	S	*	*			trans	-158.6	176.1	132.3	-124.5	169.6	-170.9	0	0	111.4
29	R	25.3	Very low	28.5	Very low	231 Å²	231	150.7 Å²	150.7	87%	0.872	82%	0.824	S	S	*	*			trans	-138.9	135.3	-172.2	-83.4	-176.4	172.8	-178.3	-2.4	111.6
30	V	31.3	Very low	28.6	Very low	130 Å²	130	145.1 Å²	145.1	79%	0.788	82%	0.816	S	S	*	*				43.5	119.7	125.8	-174.2	0	0	0	0	116.2
31	P	42.9	Very low	28.7	Very low	127 Å²	127	146.7 Å²	146.7	83%	0.825	82%	0.82	S	S	*	*				-155.9	166.7	76.1	41.5	-22.6	0	0	0	119.9
32	G	25	Very low	28.8	Very low	83 Å²	83	143.4 Å²	143.4	86%	0.856	82%	0.823	S	S	*	*			trans	114.1	143.3	145.4	0	0	0	0	0	117.1
33	G	23.3	Very low	29.1	Very low	82 Å²	82	143.8 Å²	143.8	85%	0.845	82%	0.818	S	S	*	*			trans	126.4	91.4	167.4	0	0	0	0	0	115.3
34	S	24.5	Very low	29.4	Very low	109 Å²	109	136.8 Å²	136.8	76%	0.762	81%	0.808	S	S	*	*			trans	-53	141.2	176.6	47.7	0	0	0	0	116.9
35	L	31.9	Very low	29.6	Very low	167 Å²	167	134.1 Å²	134.1	87%	0.874	81%	0.806	S	S	*	*			trans	29.6	119.9	133.7	-64.5	160.4	0	0	0	118.9
36	D	27.5	Very low	29.9	Very low	172 Å²	172	135.1 Å²	135.1	92%	0.92	80%	0.799	S	S	*	*				-150.1	166.2	111	-140.6	-26.4	0	0	0	111.5
37	G	32.7	Very low	30.3	Very low	64 Å²	64	137 Å²	137	66%	0.66	81%	0.806	S	S	*	*			trans	-103.3	129.2	-167	0	0	0	0	0	116
38	T	27.3	Very low	30.5	Very low	137 Å²	137	138 Å²	138	84%	0.84	81%	0.81	S	S	*	*			trans	-137	126.9	158.8	43.8	0	0	0	0	111
39	A	38.4	Very low	31.1	Very low	104 Å²	104	136.5 Å²	136.5	86%	0.86	80%	0.803	S	S	*	*			trans	-96.8	124.4	172.9	0	0	0	0	0	110.6
40	T	28.6	Very low	31.9	Very low	118 Å²	118	134.5 Å²	134.5	72%	0.724	80%	0.801	S	S	*	*			trans	-149.3	114.3	172.9	11	0	0	0	0	112.6	G42	T40-G42 PolarHBondContact O-N 3.03Å
41	N	30.9	Very low	33.2	Very low	160 Å²	160	132.2 Å²	132.2	86%	0.856	79%	0.787	S	S	*	*			trans	48.9	60.5	147.8	-59.4	-10.2	0	0	0	118.8	D43	N41-D43 PolarHBondContact O-N 2.96Å
42	G	27.6	Very low	34.8	Very low	87 Å²	87	130.3 Å²	130.3	90%	0.897	78%	0.776	S	S	*	*			trans	-88	32.8	167	0	0	0	0	0	115.6	T40	T40-G42 PolarHBondContact O-N 3.03Å
43	D	35.4	Very low	37.6	Very low	106 Å²	106	126.8 Å²	126.8	57%	0.567	74%	0.738	S	S	*	*			trans	-138.5	107.9	179.1	-159.6	6.3	0	0	0	113.6	N41 K46	N41-D43 PolarHBondContact O-N 2.96Å; D43-K46 IonicContact OD1-NZ 2.77Å; D43-K46 PolarHBondContact OD1-NZ 3.01Å; D43-K46 IonicContact OD2-NZ 3.61Å; D43-K46 PolarHBondContact OD2-NZ 3.31Å
44	S	31.4	Very low	40.5	Very low	112 Å²	112	127.7 Å²	127.7	78%	0.783	72%	0.72	S	S	*	*	S	Bend	trans	-176.3	-26.3	160.3	38.1	0	0	0	0	112.4	K46	S44-K46 PolarHBondContact O-N 3.16Å
45	E	31.2	Very low	43.5	Very low	180 Å²	180	125.8 Å²	125.8	84%	0.841	71%	0.705	S	S	*	*			trans	-74.7	35.5	170.5	-76.4	-118.1	132.4	0	0	113.7	K47	E45-K47 PolarHBondContact O-N 2.97Å
46	K	33.9	Very low	45.9	Very low	148 Å²	148	119.8 Å²	119.8	64%	0.643	68%	0.684	S	S	*	*			trans	-66.5	87.3	157.3	-74.2	-168.6	-178.9	80.3	0	107.9	D43 S44 K48	D43-K46 IonicContact OD1-NZ 2.77Å; D43-K46 PolarHBondContact OD1-NZ 3.01Å; D43-K46 IonicContact OD2-NZ 3.61Å; D43-K46 PolarHBondContact OD2-NZ 3.31Å; S44-K46 PolarHBondContact O-N 3.16Å; K46-K48 PolarHBondContact O-N 3.41Å; K46-K48 VanDerWaalsContact O-N 3.14Å
47	K	34.2	Very low	48.9	Very low	182 Å²	182	113 Å²	113	79%	0.791	65%	0.649	S	S	*	*			trans	-39	122.8	171.2	-78.3	177	176.4	170.1	0	109	E45 Q49	E45-K47 PolarHBondContact O-N 2.97Å; K47-Q49 PolarHBondContact O-N 2.84Å
48	K	33.5	Very low	51.8	Low	197 Å²	197	111.2 Å²	111.2	86%	0.857	62%	0.622	S	S	*	*			trans	-68.1	70	167.9	-79	-179.3	176.8	171.7	0	109	K46 F50	K46-K48 PolarHBondContact O-N 3.41Å; K46-K48 VanDerWaalsContact O-N 3.14Å; K48-F50 VanDerWaalsContact C-N 3.29Å; K48-F50 WeakPolarHBondContact O-CD2 3.34Å; K48-F50 PolarHBondContact O-N 2.8Å
49	Q	36.9	Very low	55	Low	170 Å²	170	105 Å²	105	79%	0.794	58%	0.583	S	S	*	*			trans	-67.6	93.1	173.4	-169.8	174.7	25.7	0	0	106.5	K47 V51	K47-Q49 PolarHBondContact O-N 2.84Å; Q49-V51 WeakPolarHBondContact O-CG2 3.35Å; Q49-V51 PolarHBondContact O-N 2.98Å
50	F	42.2	Very low	57.6	Low	189 Å²	189	100 Å²	100	83%	0.829	54%	0.542	S	S	*	.			trans	-50.7	111.7	176.2	-87.7	-95.2	0	0	0	108.2	K48 S52	K48-F50 VanDerWaalsContact C-N 3.29Å; K48-F50 WeakPolarHBondContact O-CD2 3.34Å; K48-F50 PolarHBondContact O-N 2.8Å; F50-S52 PolarHBondContact O-N 3.19Å
51	V	58.4	Low	60.7	Low	83 Å²	83	94.4 Å²	94.4	50%	0.503	51%	0.508	S	S	.	.			trans	-75.2	83	-175.9	-168.3	0	0	0	0	107.7	Q49 L352	Q49-V51 WeakPolarHBondContact O-CG2 3.35Å; Q49-V51 PolarHBondContact O-N 2.98Å; V51-L352 HydrophobicContact CB-CD1 4.43Å; V51-L352 HydrophobicContact CG1-CD1 4.24Å; V51-L352 HydrophobicContact CG1-CD2 3.84Å
52	S	75.9	Confident	63.8	Low	86 Å²	86	87 Å²	87	60%	0.601	47%	0.468	S	S	*	.	P	Polyproline II helix	trans	-69.9	141.4	179.4	49.7	0	0	0	0	110.6	F50	F50-S52 PolarHBondContact O-N 3.19Å
53	L	84.4	Confident	67	Low	10 Å²	10	83 Å²	83	5%	0.052	43%	0.426	C	S	.	.	P	Polyproline II helix	trans	-69.2	134.1	170.8	-77.6	154.6	0	0	0	108.9	L60 D334 A335 K348 V351 L352	L53-L60 HydrophobicContact CD1-CD1 3.63Å; L53-D334 WeakPolarHBondContact CD1-O 3.18Å; L53-A335 WeakPolarHBondContact O-CB 3.5Å; L53-K348 HydrophobicContact CD1-CG 4.19Å; L53-V351 HydrophobicContact CD2-CB 4.02Å; L53-V351 HydrophobicContact CD2-CG1 3.49Å; L53-V351 VanDerWaalsContact CD2-CG1 3.49Å; L53-L352 HydrophobicContact CD2-CD2 3.69Å; L53-L352 HydrophobicContact CD2-CG 3.93Å; L53-L352 HydrophobicContact CG-CD2 3.8Å; L53-L352 HydrophobicContact CG-CG 4.24Å
54	Q	83.3	Confident	69.9	Low	100 Å²	100	78.8 Å²	78.8	47%	0.467	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-65.4	141.7	175.4	-65.5	-63.2	-39.8	0	0	110.8	Q355	Q54-Q355 PolarHBondContact O-NE2 2.87Å
55	P	87.4	Confident	73	Confident	70 Å²	70	73.5 Å²	73.5	46%	0.455	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	161.4	177	30.7	-35.7	0	0	0	111.8	T57 D333	P55-T57 VanDerWaalsContact C-N 3.33Å; P55-T57 PolarHBondContact O-N 3.09Å; P55-D333 WeakPolarHBondContact CA-OD2 3.3Å; P55-D333 WeakPolarHBondContact CB-OD2 3.4Å
56	G	83.4	Confident	76.1	Confident	41 Å²	41	65.2 Å²	65.2	42%	0.423	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.9	5.9	173.9	0	0	0	0	0	116.5	Y58 D333	G56-Y58 VanDerWaalsContact O-CE2 3.24Å; G56-Y58 WeakPolarHBondContact O-CE2 3.2Å; G56-D333 PolarHBondContact N-OD2 2.96Å
57	T	90.7	Very high	79.1	Confident	30 Å²	30	62.2 Å²	62.2	18%	0.184	31%	0.313	C	S	.	.			trans	-100.5	157.9	163.3	67.7	0	0	0	0	111.3	P55 D333 D334 Q355	P55-T57 VanDerWaalsContact C-N 3.33Å; P55-T57 PolarHBondContact O-N 3.09Å; T57-D333 WeakPolarHBondContact O-CA 3.43Å; T57-D333 WeakPolarHBondContact O-CB 3.37Å; T57-D334 VanDerWaalsContact CB-OD2 3.23Å; T57-D334 WeakPolarHBondContact CB-OD2 3.23Å; T57-D334 PolarHBondContact O-N 2.94Å; T57-D334 PolarHBondContact OG1-OD2 2.82Å; T57-Q355 PolarHBondContact OG1-NE2 3.4Å
58	Y	93.6	Very high	82.1	Confident	26 Å²	26	54.9 Å²	54.9	10%	0.102	28%	0.284	C	S	.	.			trans	-134.3	27.9	-167.8	-58.3	-82.4	0	0	0	113.4	G56 T61 R62 P211 L213 I216 R220 F332 D333 D334	G56-Y58 VanDerWaalsContact O-CE2 3.24Å; G56-Y58 WeakPolarHBondContact O-CE2 3.2Å; Y58-T61 HydrophobicContact CD1-CG2 4.28Å; Y58-R62 WeakPolarHBondContact O-CB 3.44Å; Y58-R62 PolarHBondContact O-N 2.7Å; Y58-P211 WeakPolarHBondContact O-CG 3.41Å; Y58-L213 HydrophobicContact CE2-CD1 3.73Å; Y58-I216 HydrophobicContact CD1-CD1 4.26Å; Y58-I216 HydrophobicContact CD1-CG1 4.25Å; Y58-I216 HydrophobicContact CD1-CG2 4.16Å; Y58-I216 HydrophobicContact CD2-CG1 4.04Å; Y58-I216 HydrophobicContact CE1-CG2 4.06Å; Y58-I216 HydrophobicContact CG-CD1 4.02Å; Y58-I216 HydrophobicContact CG-CG1 3.83Å; Y58-I216 HydrophobicContact CG-CG2 4.49Å; Y58-R220 VanDerWaalsContact CE1-NH2 3.33Å; Y58-R220 PolarHBondContact OH-NH2 3.04Å; Y58-F332 WeakPolarHBondContact CD1-O 3.41Å; Y58-F332 WeakPolarHBondContact CE1-O 3.37Å; Y58-D333 HydrophobicContact CD1-CB 4.36Å; Y58-D333 HydrophobicContact CE1-CB 3.98Å; Y58-D334 WeakPolarHBondContact CA-OD1 3.46Å; Y58-D334 PolarHBondContact N-OD2 3.18Å; Y58-D334 VanDerWaalsContact N-OD2 3.11Å
59	W	93	Very high	85.2	Confident	6 Å²	6	45.5 Å²	45.5	2%	0.023	24%	0.244	C	C	.	.	H	α-helix	trans	-67.7	-45.6	-179.8	-66.6	100.3	0	0	0	113.4	R62 I63 V205 P206 C209 P210 P211 D334 V351 I354	W59-R62 VanDerWaalsContact CE3-NH2 3.3Å; W59-I63 PolarHBondContact O-N 3.48Å; W59-V205 HydrophobicContact CD2-CG1 4.25Å; W59-V205 HydrophobicContact CE3-CG1 3.66Å; W59-V205 HydrophobicContact CZ3-CG1 4.03Å; W59-P206 WeakPolarHBondContact CH2-O 3.46Å; W59-P206 VanDerWaalsContact CZ3-O 3.22Å; W59-P206 WeakPolarHBondContact CZ3-O 3.45Å; W59-C209 WeakPolarHBondContact CZ3-O 3.41Å; W59-P210 VanDerWaalsContact CH2-CA 3.45Å; W59-P210 HydrophobicContact CH2-CB 4.03Å; W59-P210 HydrophobicContact CZ2-CB 3.81Å; W59-P211 HydrophobicContact CD2-CG 4.28Å; W59-P211 HydrophobicContact CE3-CG 4.26Å; W59-P211 HydrophobicContact CG-CG 4.48Å; W59-D334 VanDerWaalsContact N-CG 3.25Å; W59-D334 PolarHBondContact N-OD1 3.41Å; W59-D334 PolarHBondContact N-OD2 3.14Å; W59-V351 HydrophobicContact CB-CB 4.38Å; W59-V351 HydrophobicContact CB-CG1 4.01Å; W59-V351 HydrophobicContact CB-CG2 3.36Å; W59-V351 HydrophobicContact CG-CG1 4.12Å; W59-V351 HydrophobicContact CG-CG2 3.9Å; W59-I354 HydrophobicContact CH2-CD1 4.21Å; W59-I354 HydrophobicContact CZ2-CD1 4.22Å; W59-I354 HydrophobicContact CZ2-CG2 3.94Å; W59-I354 HydrophobicContact CZ3-CD1 4.5Å
60	L	93.3	Very high	88.1	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-72.6	-39.8	173	-58.2	-175.8	0	0	0	109.9	L53 R62 I63 V64 D334 F341 A347 V351	L53-L60 HydrophobicContact CD1-CD1 3.63Å; L60-R62 VanDerWaalsContact C-N 3.26Å; L60-R62 PolarHBondContact O-N 3.33Å; L60-I63 HydrophobicContact CD2-CD1 4.41Å; L60-I63 PolarHBondContact O-N 3.43Å; L60-V64 PolarHBondContact O-N 2.91Å; L60-D334 WeakPolarHBondContact CA-OD1 3.36Å; L60-D334 HydrophobicContact CB-CB 4.48Å; L60-D334 WeakPolarHBondContact CB-OD1 3.34Å; L60-D334 HydrophobicContact CD1-CB 4.33Å; L60-D334 HydrophobicContact CG-CB 4.32Å; L60-D334 PolarHBondContact N-OD1 3.28Å; L60-F341 HydrophobicContact CB-CD2 4.2Å; L60-F341 HydrophobicContact CB-CE2 3.7Å; L60-F341 HydrophobicContact CB-CZ 4.03Å; L60-F341 HydrophobicContact CD1-CD2 3.91Å; L60-F341 HydrophobicContact CD1-CE2 4.29Å; L60-F341 HydrophobicContact CD1-CG 4.29Å; L60-F341 HydrophobicContact CD2-CD1 4.07Å; L60-F341 HydrophobicContact CD2-CD2 4.23Å; L60-F341 HydrophobicContact CD2-CE1 4Å; L60-F341 HydrophobicContact CD2-CE2 4.19Å; L60-F341 HydrophobicContact CD2-CG 4.18Å; L60-F341 HydrophobicContact CD2-CZ 4.06Å; L60-F341 HydrophobicContact CG-CD2 4.35Å; L60-F341 HydrophobicContact CG-CE2 4.28Å; L60-A347 HydrophobicContact CD2-CB 4.33Å; L60-V351 HydrophobicContact CD2-CG2 4.02Å; L60-V351 HydrophobicContact CG-CG2 4.39Å
61	T	94.6	Very high	90.8	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-54.5	-42.1	172.7	-45.8	0	0	0	0	111.6	Y58 I63 V64 L65 W329 F332 D334 L337	Y58-T61 HydrophobicContact CD1-CG2 4.28Å; T61-I63 PolarHBondContact O-N 2.78Å; T61-V64 PolarHBondContact O-N 3.24Å; T61-L65 HydrophobicContact CG2-CD1 4.03Å; T61-L65 HydrophobicContact CG2-CG 4.49Å; T61-L65 WeakPolarHBondContact O-CB 3.49Å; T61-L65 WeakPolarHBondContact O-CG 3.18Å; T61-L65 PolarHBondContact O-N 2.91Å; T61-W329 VanDerWaalsContact CG2-O 3.26Å; T61-W329 WeakPolarHBondContact CG2-O 3.31Å; T61-F332 VanDerWaalsContact CG2-O 3.29Å; T61-F332 WeakPolarHBondContact CG2-O 3.44Å; T61-F332 PolarHBondContact OG1-O 3.28Å; T61-D334 PolarHBondContact N-OD1 3.49Å; T61-L337 HydrophobicContact CG2-CD1 4.06Å
62	R	95	Very high	92.7	Very high	5 Å²	5	27.6 Å²	27.6	2%	0.019	16%	0.156	C	C	.	.	H	α-helix	trans	-59.9	-44.2	173.2	175	179	68.6	-154.8	-4.6	112.6	Y58 W59 L60 V64 L65 L66 L196 Q204 P206 C209 P211	Y58-R62 WeakPolarHBondContact O-CB 3.44Å; Y58-R62 PolarHBondContact O-N 2.7Å; W59-R62 VanDerWaalsContact CE3-NH2 3.3Å; L60-R62 VanDerWaalsContact C-N 3.26Å; L60-R62 PolarHBondContact O-N 3.33Å; R62-V64 VanDerWaalsContact C-N 3.31Å; R62-V64 PolarHBondContact O-N 2.92Å; R62-L65 PolarHBondContact O-N 3.18Å; R62-L66 HydrophobicContact CG-CD1 3.64Å; R62-L66 HydrophobicContact CG-CG 4.09Å; R62-L66 WeakPolarHBondContact O-CB 3.23Å; R62-L66 WeakPolarHBondContact O-CG 3.16Å; R62-L66 PolarHBondContact O-N 3.05Å; R62-L196 WeakPolarHBondContact CD-O 3.26Å; R62-L196 HydrophobicContact CG-CB 4.06Å; R62-Q204 PolarHBondContact NH2-O 3.28Å; R62-Q204 VanDerWaalsContact NH2-O 3.12Å; R62-P206 VanDerWaalsContact NH2-CD 3.34Å; R62-C209 PolarHBondContact NH1-O 3.32Å; R62-P211 HydrophobicContact CB-CG 4.23Å
63	I	94.9	Very high	93.8	Very high	3 Å²	3	23.5 Å²	23.5	2%	0.015	13%	0.128	C	C	.	.	H	α-helix	trans	-64.2	-40.3	-178.9	-65	167.5	0	0	0	110.3	W59 L60 T61 R67 Q204 V205 F341 A347	W59-I63 PolarHBondContact O-N 3.48Å; L60-I63 HydrophobicContact CD2-CD1 4.41Å; L60-I63 PolarHBondContact O-N 3.43Å; T61-I63 PolarHBondContact O-N 2.78Å; I63-R67 WeakPolarHBondContact O-CB 3.46Å; I63-R67 WeakPolarHBondContact O-CG 3.18Å; I63-R67 PolarHBondContact O-N 3.4Å; I63-R67 VanDerWaalsContact O-N 3.09Å; I63-Q204 HydrophobicContact CD1-CB 4.04Å; I63-V205 HydrophobicContact CD1-CG2 4.06Å; I63-F341 HydrophobicContact CB-CE1 4.48Å; I63-F341 HydrophobicContact CB-CZ 4.17Å; I63-F341 HydrophobicContact CD1-CE1 4.37Å; I63-F341 HydrophobicContact CG2-CE1 4.12Å; I63-F341 HydrophobicContact CG2-CZ 4.08Å; I63-A347 HydrophobicContact CD1-CB 3.83Å
64	V	95.9	Very high	94.4	Very high	17 Å²	17	26.7 Å²	26.7	10%	0.103	14%	0.141	C	C	.	.	H	α-helix	trans	-63.7	-53.5	174	179.1	0	0	0	0	110.4	L60 T61 R62 L66 R67 S68 W329 L337 L340 F341	L60-V64 PolarHBondContact O-N 2.91Å; T61-V64 PolarHBondContact O-N 3.24Å; R62-V64 VanDerWaalsContact C-N 3.31Å; R62-V64 PolarHBondContact O-N 2.92Å; V64-L66 PolarHBondContact O-N 3.39Å; V64-R67 PolarHBondContact O-N 3.33Å; V64-S68 PolarHBondContact O-N 2.83Å; V64-S68 PolarHBondContact O-OG 3.43Å; V64-S68 VanDerWaalsContact O-OG 3.12Å; V64-W329 HydrophobicContact CG1-CB 4.36Å; V64-W329 HydrophobicContact CG1-CD2 3.57Å; V64-W329 HydrophobicContact CG1-CE3 4.04Å; V64-W329 HydrophobicContact CG1-CG 3.71Å; V64-W329 HydrophobicContact CG1-CZ2 4.36Å; V64-L337 HydrophobicContact CG2-CD1 4.29Å; V64-L340 HydrophobicContact CG2-CD1 4.18Å; V64-F341 HydrophobicContact CG2-CE2 3.99Å; V64-F341 HydrophobicContact CG2-CZ 4.12Å
65	L	96.8	Very high	95.1	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-52.6	-51.3	178	-78.5	165.9	0	0	0	112.6	T61 R62 R67 S68 V69 L196 I216 F219 V326 W329 A330	T61-L65 HydrophobicContact CG2-CD1 4.03Å; T61-L65 HydrophobicContact CG2-CG 4.49Å; T61-L65 WeakPolarHBondContact O-CB 3.49Å; T61-L65 WeakPolarHBondContact O-CG 3.18Å; T61-L65 PolarHBondContact O-N 2.91Å; R62-L65 PolarHBondContact O-N 3.18Å; L65-R67 PolarHBondContact O-N 2.91Å; L65-S68 PolarHBondContact O-N 3.31Å; L65-V69 WeakPolarHBondContact O-CG2 3.49Å; L65-V69 PolarHBondContact O-N 3.17Å; L65-L196 HydrophobicContact CB-CD1 3.87Å; L65-L196 HydrophobicContact CD1-CD1 4.01Å; L65-I216 HydrophobicContact CD1-CD1 4.31Å; L65-F219 HydrophobicContact CD2-CD1 4.11Å; L65-F219 HydrophobicContact CD2-CE1 4.28Å; L65-F219 HydrophobicContact CD2-CG 4.43Å; L65-V326 HydrophobicContact CD2-CG1 4.24Å; L65-V326 WeakPolarHBondContact CD2-O 3.41Å; L65-W329 HydrophobicContact CD2-CB 3.97Å; L65-W329 HydrophobicContact CG-CB 4.21Å; L65-A330 HydrophobicContact CD1-CB 4.35Å
66	L	96.6	Very high	95.6	Very high	7 Å²	7	19.3 Å²	19.3	4%	0.037	10%	0.102	C	C	.	.	H	α-helix	trans	-64.9	-39.4	-178.8	-71.5	175.3	0	0	0	112.4	R62 V64 A70 A155 M160 A193 L196	R62-L66 HydrophobicContact CG-CD1 3.64Å; R62-L66 HydrophobicContact CG-CG 4.09Å; R62-L66 WeakPolarHBondContact O-CB 3.23Å; R62-L66 WeakPolarHBondContact O-CG 3.16Å; R62-L66 PolarHBondContact O-N 3.05Å; V64-L66 PolarHBondContact O-N 3.39Å; L66-A70 VanDerWaalsContact O-CB 3.22Å; L66-A70 WeakPolarHBondContact O-CB 3.42Å; L66-A70 PolarHBondContact O-N 2.94Å; L66-A155 HydrophobicContact CD1-CB 4.34Å; L66-M160 HydrophobicContact CD2-CE 4.33Å; L66-M160 HydrophobicContact CD2-SD 4.38Å; L66-A193 HydrophobicContact CD2-CB 4.25Å; L66-L196 HydrophobicContact CD2-CB 4.23Å; L66-L196 HydrophobicContact CD2-CD1 4.22Å; L66-L196 HydrophobicContact CG-CB 4.5Å; L66-L196 HydrophobicContact CG-CD1 4.35Å
67	R	97.1	Very high	96.4	Very high	85 Å²	85	17.4 Å²	17.4	32%	0.321	8%	0.082	S	C	.	.	H	α-helix	trans	-67.2	-40	174.5	-79.5	-179.3	153.5	165.8	-4	112.3	I63 V64 L65 A70 F71 L150 V151	I63-R67 WeakPolarHBondContact O-CB 3.46Å; I63-R67 WeakPolarHBondContact O-CG 3.18Å; I63-R67 PolarHBondContact O-N 3.4Å; I63-R67 VanDerWaalsContact O-N 3.09Å; V64-R67 PolarHBondContact O-N 3.33Å; L65-R67 PolarHBondContact O-N 2.91Å; R67-A70 PolarHBondContact O-N 3.44Å; R67-F71 WeakPolarHBondContact O-CB 3.34Å; R67-F71 PolarHBondContact O-N 2.95Å; R67-L150 HydrophobicContact CB-CD1 4.33Å; R67-L150 PolarHBondContact NE-O 3.45Å; R67-V151 PolarHBondContact NH2-O 3.26Å
68	S	97.6	Very high	96.7	Very high	27 Å²	27	17.5 Å²	17.5	19%	0.189	8%	0.082	C	C	.	.	H	α-helix	trans	-67.1	-42.5	176.7	-57.8	0	0	0	0	111.6	V64 L65 A70 F71 I72	V64-S68 PolarHBondContact O-N 2.83Å; V64-S68 PolarHBondContact O-OG 3.43Å; V64-S68 VanDerWaalsContact O-OG 3.12Å; L65-S68 PolarHBondContact O-N 3.31Å; S68-A70 PolarHBondContact O-N 3.09Å; S68-F71 WeakPolarHBondContact O-CB 3.5Å; S68-F71 PolarHBondContact O-N 3.28Å; S68-I72 WeakPolarHBondContact O-CG1 3.48Å; S68-I72 PolarHBondContact O-N 3.27Å; S68-I72 VanDerWaalsContact O-N 3.11Å
69	V	98.1	Very high	96.9	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-59.8	-45.5	172.1	172.7	0	0	0	0	111.2	L65 F71 I72 Y73 M160 T189 A193 V326	L65-V69 WeakPolarHBondContact O-CG2 3.49Å; L65-V69 PolarHBondContact O-N 3.17Å; V69-F71 VanDerWaalsContact C-N 3.33Å; V69-F71 PolarHBondContact O-N 2.98Å; V69-I72 PolarHBondContact O-N 3.27Å; V69-Y73 HydrophobicContact CG1-CD2 3.71Å; V69-Y73 HydrophobicContact CG1-CE2 3.67Å; V69-Y73 PolarHBondContact O-N 3.42Å; V69-M160 HydrophobicContact CG1-CE 3.85Å; V69-T189 HydrophobicContact CG2-CG2 3.96Å; V69-A193 HydrophobicContact CB-CB 4.42Å; V69-A193 HydrophobicContact CG1-CB 4.03Å; V69-A193 HydrophobicContact CG2-CB 4.06Å; V69-V326 HydrophobicContact CG2-CG1 3.56Å
70	A	98.2	Very high	97.1	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-63.4	-36.2	177.6	0	0	0	0	0	112.7	L66 R67 S68 Y73 F74 S146 V149 L150	L66-A70 VanDerWaalsContact O-CB 3.22Å; L66-A70 WeakPolarHBondContact O-CB 3.42Å; L66-A70 PolarHBondContact O-N 2.94Å; R67-A70 PolarHBondContact O-N 3.44Å; S68-A70 PolarHBondContact O-N 3.09Å; A70-Y73 PolarHBondContact O-N 3.4Å; A70-F74 WeakPolarHBondContact O-CB 3.48Å; A70-F74 PolarHBondContact O-N 2.93Å; A70-S146 WeakPolarHBondContact O-CB 3.33Å; A70-V149 HydrophobicContact CB-CB 3.83Å; A70-V149 HydrophobicContact CB-CG1 3.72Å; A70-L150 HydrophobicContact CB-CB 4.12Å
71	F	98.3	Very high	97.3	Very high	64 Å²	64	20.5 Å²	20.5	28%	0.281	9%	0.094	S	C	.	.	H	α-helix	trans	-62.6	-46.4	173.3	175.7	-107.7	0	0	0	112.3	R67 S68 V69 F74 V75 L150 W322 P466	R67-F71 WeakPolarHBondContact O-CB 3.34Å; R67-F71 PolarHBondContact O-N 2.95Å; S68-F71 WeakPolarHBondContact O-CB 3.5Å; S68-F71 PolarHBondContact O-N 3.28Å; V69-F71 VanDerWaalsContact C-N 3.33Å; V69-F71 PolarHBondContact O-N 2.98Å; F71-F74 PolarHBondContact O-N 2.89Å; F71-V75 HydrophobicContact CE1-CG2 4.47Å; F71-V75 HydrophobicContact CE2-CG2 4.15Å; F71-V75 HydrophobicContact CZ-CG2 4.13Å; F71-V75 WeakPolarHBondContact O-CG2 3.41Å; F71-V75 PolarHBondContact O-N 3.33Å; F71-L150 HydrophobicContact CB-CD1 4.04Å; F71-L150 HydrophobicContact CB-CD2 4.43Å; F71-L150 HydrophobicContact CD2-CD2 4.24Å; F71-W322 HydrophobicContact CE1-CD2 4.37Å; F71-W322 AromaticContact CE1-CE3 3.88Å; F71-W322 HydrophobicContact CE1-CE3 3.88Å; F71-W322 HydrophobicContact CE1-CZ3 4.2Å; F71-P466 HydrophobicContact CE1-CG 4.23Å; F71-P466 HydrophobicContact CZ-CG 3.97Å
72	I	98.3	Very high	97.4	Very high	2 Å²	2	23.9 Å²	23.9	1%	0.01	11%	0.112	C	C	.	.	H	α-helix	trans	-64.9	-43.4	176.9	-50.5	-57.2	0	0	0	110.8	S68 V69 F74 V75 A76 L186 F319 W322 L323 V326	S68-I72 WeakPolarHBondContact O-CG1 3.48Å; S68-I72 PolarHBondContact O-N 3.27Å; S68-I72 VanDerWaalsContact O-N 3.11Å; V69-I72 PolarHBondContact O-N 3.27Å; I72-F74 VanDerWaalsContact C-N 3.34Å; I72-F74 PolarHBondContact O-N 2.87Å; I72-V75 PolarHBondContact O-N 3.5Å; I72-A76 WeakPolarHBondContact O-CB 3.47Å; I72-A76 PolarHBondContact O-N 2.93Å; I72-L186 HydrophobicContact CB-CD1 4.24Å; I72-L186 HydrophobicContact CG2-CD1 3.97Å; I72-L186 HydrophobicContact CG2-CD2 4.1Å; I72-F319 HydrophobicContact CG2-CB 4.18Å; I72-F319 HydrophobicContact CG2-CD2 3.47Å; I72-F319 VanDerWaalsContact CG2-CD2 3.47Å; I72-F319 HydrophobicContact CG2-CE2 4Å; I72-F319 HydrophobicContact CG2-CG 3.95Å; I72-W322 HydrophobicContact CD1-CB 3.51Å; I72-L323 HydrophobicContact CB-CD1 4.5Å; I72-L323 HydrophobicContact CG1-CB 4.39Å; I72-L323 HydrophobicContact CG1-CD1 4.23Å; I72-L323 HydrophobicContact CG2-CB 4.37Å; I72-L323 HydrophobicContact CG2-CD1 4.23Å; I72-V326 HydrophobicContact CG1-CG2 4.1Å
73	Y	98.4	Very high	97.5	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-58.1	-44.8	174.3	-86.5	-49.9	0	0	0	112.1	V69 A70 A76 F77 M160 L163 W164 Y167 L186 G190	V69-Y73 HydrophobicContact CG1-CD2 3.71Å; V69-Y73 HydrophobicContact CG1-CE2 3.67Å; V69-Y73 PolarHBondContact O-N 3.42Å; A70-Y73 PolarHBondContact O-N 3.4Å; Y73-A76 PolarHBondContact O-N 2.96Å; Y73-F77 HydrophobicContact CD1-CD2 4.44Å; Y73-F77 AromaticContact CD1-CE2 3.83Å; Y73-F77 HydrophobicContact CD1-CE2 3.83Å; Y73-F77 HydrophobicContact CG-CE2 4.28Å; Y73-F77 WeakPolarHBondContact O-CB 3.24Å; Y73-F77 WeakPolarHBondContact O-CD2 3.39Å; Y73-F77 PolarHBondContact O-N 3.01Å; Y73-M160 HydrophobicContact CE2-CE 4.34Å; Y73-L163 HydrophobicContact CD2-CB 4.2Å; Y73-L163 HydrophobicContact CD2-CD1 4.26Å; Y73-L163 HydrophobicContact CE2-CB 3.98Å; Y73-W164 VanDerWaalsContact OH-CA 3.31Å; Y73-W164 WeakPolarHBondContact OH-CA 3.38Å; Y73-Y167 HydrophobicContact CD1-CD2 4.29Å; Y73-Y167 HydrophobicContact CD1-CG 4.26Å; Y73-Y167 HydrophobicContact CE1-CD1 4.43Å; Y73-Y167 HydrophobicContact CE1-CD2 4.42Å; Y73-Y167 AromaticContact CE1-CG 3.93Å; Y73-Y167 HydrophobicContact CE1-CG 3.93Å; Y73-L186 HydrophobicContact CD1-CD1 3.98Å; Y73-L186 HydrophobicContact CD1-CD2 4.02Å; Y73-L186 HydrophobicContact CD1-CG 4.1Å; Y73-L186 HydrophobicContact CE1-CD1 3.94Å; Y73-L186 HydrophobicContact CE1-CD2 4.24Å; Y73-L186 HydrophobicContact CE1-CG 3.89Å; Y73-L186 HydrophobicContact CG-CD1 4.34Å; Y73-G190 WeakPolarHBondContact OH-CA 3.45Å
74	F	98.5	Very high	97.6	Very high	78 Å²	78	23.7 Å²	23.7	34%	0.342	11%	0.111	S	C	.	.	H	α-helix	trans	-57.7	-53.1	178.7	-176.6	-94.8	0	0	0	110.9	A70 F71 I72 A76 F77 T78 M143 S146	A70-F74 WeakPolarHBondContact O-CB 3.48Å; A70-F74 PolarHBondContact O-N 2.93Å; F71-F74 PolarHBondContact O-N 2.89Å; I72-F74 VanDerWaalsContact C-N 3.34Å; I72-F74 PolarHBondContact O-N 2.87Å; F74-A76 VanDerWaalsContact C-N 3.32Å; F74-A76 PolarHBondContact O-N 3.34Å; F74-F77 PolarHBondContact O-N 2.81Å; F74-T78 PolarHBondContact O-N 3.01Å; F74-T78 PolarHBondContact O-OG1 3.34Å; F74-M143 HydrophobicContact CD2-CB 4.2Å; F74-M143 HydrophobicContact CD2-CG 4.41Å; F74-M143 WeakPolarHBondContact CD2-O 3.29Å; F74-M143 HydrophobicContact CE2-CB 4.08Å; F74-M143 HydrophobicContact CE2-CG 4.38Å; F74-S146 VanDerWaalsContact CA-OG 3.29Å; F74-S146 WeakPolarHBondContact CA-OG 3.42Å; F74-S146 PolarHBondContact N-OG 3.38Å
75	V	98.3	Very high	97.5	Very high	15 Å²	15	26.6 Å²	26.6	9%	0.091	12%	0.123	C	C	.	.	H	α-helix	trans	-58	-43.7	176.6	174.2	0	0	0	0	111.6	F71 I72 T78 V79 P466	F71-V75 HydrophobicContact CE1-CG2 4.47Å; F71-V75 HydrophobicContact CE2-CG2 4.15Å; F71-V75 HydrophobicContact CZ-CG2 4.13Å; F71-V75 WeakPolarHBondContact O-CG2 3.41Å; F71-V75 PolarHBondContact O-N 3.33Å; I72-V75 PolarHBondContact O-N 3.5Å; V75-T78 PolarHBondContact O-N 3.31Å; V75-V79 WeakPolarHBondContact O-CB 3.44Å; V75-V79 WeakPolarHBondContact O-CG2 3.43Å; V75-V79 PolarHBondContact O-N 2.88Å; V75-P466 HydrophobicContact CG1-CB 4.07Å; V75-P466 HydrophobicContact CG1-CG 4.01Å; V75-P466 HydrophobicContact CG2-CB 4.44Å; V75-P466 HydrophobicContact CG2-CG 3.81Å
76	A	98	Very high	97.4	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-69.1	-34.5	-177.6	0	0	0	0	0	112.9	I72 Y73 F74 A80 Y167 L186 F319	I72-A76 WeakPolarHBondContact O-CB 3.47Å; I72-A76 PolarHBondContact O-N 2.93Å; Y73-A76 PolarHBondContact O-N 2.96Å; F74-A76 VanDerWaalsContact C-N 3.32Å; F74-A76 PolarHBondContact O-N 3.34Å; A76-A80 WeakPolarHBondContact O-CB 3.49Å; A76-A80 PolarHBondContact O-N 3.28Å; A76-Y167 HydrophobicContact CB-CE2 3.57Å; A76-L186 HydrophobicContact CB-CD2 3.73Å; A76-F319 HydrophobicContact CB-CE1 4.01Å; A76-F319 HydrophobicContact CB-CZ 4.01Å
77	F	98.4	Very high	97.4	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-76.1	-29.4	171.5	-73.8	-64.3	0	0	0	112.5	Y73 F74 A80 Y81 G142 M143 L163 L166 Y167 L170	Y73-F77 HydrophobicContact CD1-CD2 4.44Å; Y73-F77 AromaticContact CD1-CE2 3.83Å; Y73-F77 HydrophobicContact CD1-CE2 3.83Å; Y73-F77 HydrophobicContact CG-CE2 4.28Å; Y73-F77 WeakPolarHBondContact O-CB 3.24Å; Y73-F77 WeakPolarHBondContact O-CD2 3.39Å; Y73-F77 PolarHBondContact O-N 3.01Å; F74-F77 PolarHBondContact O-N 2.81Å; F77-A80 WeakPolarHBondContact O-CB 3.21Å; F77-A80 PolarHBondContact O-N 2.94Å; F77-Y81 WeakPolarHBondContact O-CB 3.5Å; F77-Y81 PolarHBondContact O-N 3.13Å; F77-G142 VanDerWaalsContact CD2-C 3.44Å; F77-G142 VanDerWaalsContact CD2-CA 3.46Å; F77-M143 HydrophobicContact CB-CG 3.61Å; F77-L163 HydrophobicContact CD2-CD2 4.44Å; F77-L163 HydrophobicContact CE2-CD2 3.78Å; F77-L166 HydrophobicContact CE1-CB 4.05Å; F77-L166 HydrophobicContact CZ-CB 3.8Å; F77-Y167 HydrophobicContact CD1-CD2 4.22Å; F77-Y167 AromaticContact CE1-CD2 3.79Å; F77-Y167 HydrophobicContact CE1-CD2 3.79Å; F77-Y167 HydrophobicContact CE2-CD2 4.17Å; F77-Y167 AromaticContact CZ-CD2 3.76Å; F77-Y167 HydrophobicContact CZ-CD2 3.76Å; F77-Y167 HydrophobicContact CZ-CG 4.32Å; F77-L170 HydrophobicContact CD1-CD1 4.05Å; F77-L170 HydrophobicContact CE1-CD1 3.97Å
78	T	98.3	Very high	97.3	Very high	32 Å²	32	23.6 Å²	23.6	20%	0.196	11%	0.112	C	C	.	.	H	α-helix	trans	-66.8	-43	168.3	-53.8	0	0	0	0	111.6	F74 V75 A80 Y81 N82 M143 Y467	F74-T78 PolarHBondContact O-N 3.01Å; F74-T78 PolarHBondContact O-OG1 3.34Å; V75-T78 PolarHBondContact O-N 3.31Å; T78-A80 VanDerWaalsContact C-N 3.26Å; T78-A80 PolarHBondContact O-N 3.05Å; T78-Y81 PolarHBondContact O-N 2.95Å; T78-N82 WeakPolarHBondContact O-CB 3.3Å; T78-N82 VanDerWaalsContact O-CG 3.23Å; T78-N82 PolarHBondContact O-N 3.17Å; T78-N82 PolarHBondContact O-ND2 2.96Å; T78-M143 VanDerWaalsContact CA-SD 3.58Å; T78-M143 HydrophobicContact CG2-SD 4.39Å; T78-M143 PolarHBondContact OG1-SD 2.93Å; T78-Y467 HydrophobicContact CG2-CE2 4.46Å
79	V	97.6	Very high	97	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-56.8	-41.4	171.1	159.8	0	0	0	0	110.9	V75 Q83 Y467 H468	V75-V79 WeakPolarHBondContact O-CB 3.44Å; V75-V79 WeakPolarHBondContact O-CG2 3.43Å; V75-V79 PolarHBondContact O-N 2.88Å; V79-Q83 WeakPolarHBondContact O-CB 3.4Å; V79-Q83 PolarHBondContact O-NE2 3.19Å; V79-Y467 HydrophobicContact CB-CE2 4.31Å; V79-Y467 HydrophobicContact CG2-CD2 3.51Å; V79-Y467 HydrophobicContact CG2-CE1 4.48Å; V79-Y467 HydrophobicContact CG2-CE2 3.47Å; V79-Y467 VanDerWaalsContact CG2-CE2 3.47Å; V79-Y467 HydrophobicContact CG2-CG 4.07Å; V79-H468 HydrophobicContact CG1-CB 4.31Å; V79-H468 HydrophobicContact CG2-CB 4.13Å
80	A	97.6	Very high	96.6	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-65.8	-51.8	176.2	0	0	0	0	0	112.2	A76 F77 T78 N82 Q83 N84 A139 L170 Y178	A76-A80 WeakPolarHBondContact O-CB 3.49Å; A76-A80 PolarHBondContact O-N 3.28Å; F77-A80 WeakPolarHBondContact O-CB 3.21Å; F77-A80 PolarHBondContact O-N 2.94Å; T78-A80 VanDerWaalsContact C-N 3.26Å; T78-A80 PolarHBondContact O-N 3.05Å; A80-N82 PolarHBondContact O-N 3.42Å; A80-Q83 PolarHBondContact O-N 3.06Å; A80-N84 WeakPolarHBondContact O-CB 3.39Å; A80-N84 PolarHBondContact O-N 3.45Å; A80-A139 HydrophobicContact CB-CB 4.24Å; A80-L170 HydrophobicContact CB-CD1 3.79Å; A80-Y178 WeakPolarHBondContact CB-OH 3.45Å
81	Y	97.6	Very high	96	Very high	96 Å²	96	28.9 Å²	28.9	38%	0.376	14%	0.137	S	C	.	.	H	α-helix	trans	-56.8	-46.5	180	-178.1	-113.7	0	0	0	112.3	F77 T78 Q83 D136 A139 L140 M143	F77-Y81 WeakPolarHBondContact O-CB 3.5Å; F77-Y81 PolarHBondContact O-N 3.13Å; T78-Y81 PolarHBondContact O-N 2.95Å; Y81-Q83 VanDerWaalsContact C-N 3.28Å; Y81-Q83 PolarHBondContact O-N 2.88Å; Y81-D136 HydrophobicContact CD2-CB 4.42Å; Y81-D136 HydrophobicContact CE2-CB 4.22Å; Y81-A139 HydrophobicContact CD2-CB 4.39Å; Y81-L140 HydrophobicContact CD2-CD2 4.3Å; Y81-L140 HydrophobicContact CD2-CG 4.04Å; Y81-L140 HydrophobicContact CE2-CD1 3.98Å; Y81-L140 HydrophobicContact CE2-CD2 3.97Å; Y81-L140 HydrophobicContact CE2-CG 3.86Å; Y81-M143 HydrophobicContact CD1-CE 4.02Å; Y81-M143 HydrophobicContact CD2-CE 4.31Å; Y81-M143 HydrophobicContact CG-CE 3.75Å
82	N	96.9	Very high	95.6	Very high	71 Å²	71	25.9 Å²	25.9	38%	0.38	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-14.2	-175.3	-68.1	-9	0	0	0	114.9	T78 A80 Q86 Y467	T78-N82 WeakPolarHBondContact O-CB 3.3Å; T78-N82 VanDerWaalsContact O-CG 3.23Å; T78-N82 PolarHBondContact O-N 3.17Å; T78-N82 PolarHBondContact O-ND2 2.96Å; A80-N82 PolarHBondContact O-N 3.42Å; N82-Q86 PolarHBondContact O-NE2 3Å; N82-Q86 PolarHBondContact O-OE1 3.39Å; N82-Y467 VanDerWaalsContact CB-OH 3.25Å; N82-Y467 WeakPolarHBondContact CB-OH 3.45Å; N82-Y467 PolarHBondContact ND2-OH 3.23Å
83	Q	96.9	Very high	95.3	Very high	3 Å²	3	25.8 Å²	25.8	1%	0.014	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-135.8	-22.1	-169.2	-67.5	171.1	87.2	0	0	115	V79 A80 Y81 K85 Q86 L87 Y467 H468 L506	V79-Q83 WeakPolarHBondContact O-CB 3.4Å; V79-Q83 PolarHBondContact O-NE2 3.19Å; A80-Q83 PolarHBondContact O-N 3.06Å; Y81-Q83 VanDerWaalsContact C-N 3.28Å; Y81-Q83 PolarHBondContact O-N 2.88Å; Q83-K85 VanDerWaalsContact C-N 3.29Å; Q83-K85 PolarHBondContact O-N 3.26Å; Q83-Q86 VanDerWaalsContact C-OE1 3.25Å; Q83-Q86 VanDerWaalsContact CA-OE1 3.28Å; Q83-Q86 PolarHBondContact O-N 2.93Å; Q83-Q86 PolarHBondContact O-OE1 2.86Å; Q83-L87 HydrophobicContact CB-CD1 3.78Å; Q83-L87 HydrophobicContact CB-CG 4.28Å; Q83-L87 WeakPolarHBondContact O-CB 3.29Å; Q83-L87 VanDerWaalsContact O-CG 3.22Å; Q83-L87 WeakPolarHBondContact O-CG 3.4Å; Q83-L87 PolarHBondContact O-N 3.21Å; Q83-Y467 PolarHBondContact NE2-OH 3.48Å; Q83-H468 PolarHBondContact NE2-O 3.03Å; Q83-L506 HydrophobicContact CB-CD2 4.28Å; Q83-L506 HydrophobicContact CG-CD2 3.87Å
84	N	96.4	Very high	94.9	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-61.8	-37.1	-173.1	-83.3	-4	0	0	0	112.2	A80 Q86 L87 I88 G89 L135 Y178	A80-N84 WeakPolarHBondContact O-CB 3.39Å; A80-N84 PolarHBondContact O-N 3.45Å; N84-Q86 VanDerWaalsContact C-N 3.34Å; N84-Q86 PolarHBondContact O-N 3.19Å; N84-L87 PolarHBondContact O-N 3Å; N84-I88 HydrophobicContact CB-CD1 4.28Å; N84-I88 HydrophobicContact CB-CG1 4.01Å; N84-I88 CarbonylContact O-C 3.54Å; N84-I88 WeakPolarHBondContact O-CA 3.31Å; N84-I88 VanDerWaalsContact O-CG1 3.26Å; N84-I88 WeakPolarHBondContact O-CG1 3.39Å; N84-I88 PolarHBondContact O-N 2.82Å; N84-G89 PolarHBondContact O-N 2.74Å; N84-L135 HydrophobicContact CB-CB 4.39Å; N84-L135 HydrophobicContact CB-CD1 4.46Å; N84-Y178 PolarHBondContact ND2-OH 2.94Å; N84-Y178 PolarHBondContact OD1-OH 3.3Å
85	K	94.3	Very high	94.6	Very high	79 Å²	79	23.5 Å²	23.5	34%	0.343	11%	0.114	S	C	.	.	H	α-helix	trans	-58.4	-45.1	177.8	-179	160.3	-177.9	142.1	0	112.5	Q83 G89 D132 T502	Q83-K85 VanDerWaalsContact C-N 3.29Å; Q83-K85 PolarHBondContact O-N 3.26Å; K85-G89 VanDerWaalsContact O-CA 3.3Å; K85-G89 WeakPolarHBondContact O-CA 3.2Å; K85-G89 PolarHBondContact O-N 3.28Å; K85-D132 WeakPolarHBondContact CD-OD2 3.31Å; K85-D132 WeakPolarHBondContact CE-OD2 3.45Å; K85-D132 WeakPolarHBondContact CG-OD2 3.44Å; K85-D132 IonicContact NZ-OD2 3.9Å; K85-D132 PolarHBondContact NZ-OD2 3.28Å; K85-D132 VanDerWaalsContact NZ-OD2 3.15Å; K85-T502 HydrophobicContact CG-CG2 4.36Å
86	Q	94.6	Very high	94.3	Very high	28 Å²	28	22.8 Å²	22.8	13%	0.131	11%	0.11	C	C	.	.	H	α-helix	trans	-77.3	-29.3	-179.9	-56.8	89.5	-25.7	0	0	113.1	N82 Q83 N84 G92 L93 T502 S505 L506	N82-Q86 PolarHBondContact O-NE2 3Å; N82-Q86 PolarHBondContact O-OE1 3.39Å; Q83-Q86 VanDerWaalsContact C-OE1 3.25Å; Q83-Q86 VanDerWaalsContact CA-OE1 3.28Å; Q83-Q86 PolarHBondContact O-N 2.93Å; Q83-Q86 PolarHBondContact O-OE1 2.86Å; N84-Q86 VanDerWaalsContact C-N 3.34Å; N84-Q86 PolarHBondContact O-N 3.19Å; Q86-G92 CarbonylContact O-C 3.57Å; Q86-G92 WeakPolarHBondContact O-CA 3.43Å; Q86-L93 PolarHBondContact O-N 3.14Å; Q86-T502 HydrophobicContact CG-CG2 4.24Å; Q86-T502 WeakPolarHBondContact CG-O 3.38Å; Q86-S505 WeakPolarHBondContact CG-OG 3.21Å; Q86-S505 PolarHBondContact NE2-OG 3.45Å; Q86-L506 HydrophobicContact CB-CD1 3.58Å; Q86-L506 HydrophobicContact CB-CD2 3.89Å; Q86-L506 HydrophobicContact CB-CG 3.63Å; Q86-L506 HydrophobicContact CG-CD1 4.42Å; Q86-L506 HydrophobicContact CG-CD2 4.04Å; Q86-L506 HydrophobicContact CG-CG 3.92Å
87	L	95.4	Very high	93.9	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-93.2	-42	-175.4	-63.2	179.8	0	0	0	113.6	Q83 N84 L93 M94 W177 R470 L506	Q83-L87 HydrophobicContact CB-CD1 3.78Å; Q83-L87 HydrophobicContact CB-CG 4.28Å; Q83-L87 WeakPolarHBondContact O-CB 3.29Å; Q83-L87 VanDerWaalsContact O-CG 3.22Å; Q83-L87 WeakPolarHBondContact O-CG 3.4Å; Q83-L87 PolarHBondContact O-N 3.21Å; N84-L87 PolarHBondContact O-N 3Å; L87-L93 HydrophobicContact CD2-CD1 4.16Å; L87-L93 PolarHBondContact O-N 3.25Å; L87-M94 PolarHBondContact O-N 3.41Å; L87-W177 HydrophobicContact CB-CD2 4.05Å; L87-W177 HydrophobicContact CB-CG 4.02Å; L87-W177 HydrophobicContact CD1-CB 4.47Å; L87-W177 HydrophobicContact CD1-CD2 4.05Å; L87-W177 HydrophobicContact CD1-CE3 4.07Å; L87-W177 HydrophobicContact CD1-CG 4.25Å; L87-W177 HydrophobicContact CD2-CD2 3.83Å; L87-W177 HydrophobicContact CD2-CE3 3.82Å; L87-W177 HydrophobicContact CD2-CH2 3.76Å; L87-W177 HydrophobicContact CD2-CZ2 3.74Å; L87-W177 HydrophobicContact CD2-CZ3 3.78Å; L87-W177 HydrophobicContact CG-CD2 4.19Å; L87-W177 HydrophobicContact CG-CE3 4.43Å; L87-W177 PolarHBondContact O-NE1 2.99Å; L87-R470 HydrophobicContact CD1-CB 3.71Å; L87-R470 HydrophobicContact CD1-CG 4.26Å; L87-L506 HydrophobicContact CD2-CD1 3.52Å; L87-L506 HydrophobicContact CG-CD1 4.18Å
88	I	94.8	Very high	93.5	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-136.8	1.4	-172.5	62.6	170.9	0	0	0	114.7	N84 C96 L135 V173 W177 Y178	N84-I88 HydrophobicContact CB-CD1 4.28Å; N84-I88 HydrophobicContact CB-CG1 4.01Å; N84-I88 CarbonylContact O-C 3.54Å; N84-I88 WeakPolarHBondContact O-CA 3.31Å; N84-I88 VanDerWaalsContact O-CG1 3.26Å; N84-I88 WeakPolarHBondContact O-CG1 3.39Å; N84-I88 PolarHBondContact O-N 2.82Å; I88-C96 HydrophobicContact CB-CB 4.39Å; I88-C96 WeakPolarHBondContact O-CB 3.37Å; I88-C96 PolarHBondContact O-N 3.26Å; I88-L135 HydrophobicContact CD1-CD1 4.45Å; I88-L135 HydrophobicContact CD1-CD2 3.92Å; I88-L135 HydrophobicContact CG1-CD1 4.06Å; I88-L135 HydrophobicContact CG1-CD2 4.42Å; I88-V173 HydrophobicContact CD1-CG2 4.32Å; I88-W177 VanDerWaalsContact CG2-CD1 3.45Å; I88-W177 HydrophobicContact CG2-CG 4.4Å; I88-Y178 HydrophobicContact CD1-CE2 4.49Å
89	G	92.3	Very high	93.1	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.138	C	C	.	.	S	Bend	trans	-67.4	-177	171.8	0	0	0	0	0	112.8	N84 K85 N91 G92 P95 D132	N84-G89 PolarHBondContact O-N 2.74Å; K85-G89 VanDerWaalsContact O-CA 3.3Å; K85-G89 WeakPolarHBondContact O-CA 3.2Å; K85-G89 PolarHBondContact O-N 3.28Å; G89-N91 VanDerWaalsContact C-N 3.32Å; G89-N91 PolarHBondContact O-N 2.83Å; G89-G92 PolarHBondContact O-N 3.06Å; G89-P95 WeakPolarHBondContact O-CA 3.41Å; G89-P95 WeakPolarHBondContact O-CB 3.49Å; G89-D132 WeakPolarHBondContact CA-OD1 3.44Å
90	E	88.8	Confident	92.8	Very high	56 Å²	56	29.6 Å²	29.6	26%	0.262	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-40.3	-172.3	-60.2	-155.6	162.4	0	0	112.9	K97 M131 D132	E90-K97 IonicContact OE1-NZ 3.56Å; E90-K97 PolarHBondContact OE1-NZ 2.86Å; E90-K97 IonicContact OE2-NZ 3.35Å; E90-M131 HydrophobicContact CG-CB 3.67Å; E90-M131 WeakPolarHBondContact OE1-CB 3.33Å; E90-M131 PolarHBondContact OE1-N 3.36Å; E90-D132 PolarHBondContact N-OD1 3.17Å
91	N	86.1	Confident	92.4	Very high	83 Å²	83	32.1 Å²	32.1	44%	0.444	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	16.7	175.1	-70.7	-59.4	0	0	0	113.1	G89 R495	G89-N91 VanDerWaalsContact C-N 3.32Å; G89-N91 PolarHBondContact O-N 2.83Å; N91-R495 PolarHBondContact O-NH2 3.47Å
92	G	90.3	Very high	92	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.156	C	C	.	.	S	Bend	trans	-71	-179	-177.7	0	0	0	0	0	114.8	Q86 G89	Q86-G92 CarbonylContact O-C 3.57Å; Q86-G92 WeakPolarHBondContact O-CA 3.43Å; G89-G92 PolarHBondContact O-N 3.06Å
93	L	91.6	Very high	91.6	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.14	C	C	.	.	S	Bend	trans	-69.2	-38.3	174.3	-70.2	175.7	0	0	0	113	Q86 L87 W177 L471 Q491 L492 R495 V503	Q86-L93 PolarHBondContact O-N 3.14Å; L87-L93 HydrophobicContact CD2-CD1 4.16Å; L87-L93 PolarHBondContact O-N 3.25Å; L93-W177 HydrophobicContact CB-CZ2 3.73Å; L93-W177 HydrophobicContact CD1-CH2 3.74Å; L93-W177 HydrophobicContact CD1-CZ2 3.58Å; L93-W177 HydrophobicContact CG-CZ2 4.31Å; L93-L471 HydrophobicContact CD1-CD1 3.98Å; L93-Q491 HydrophobicContact CB-CG 4.49Å; L93-Q491 HydrophobicContact CD2-CB 4.36Å; L93-Q491 HydrophobicContact CD2-CG 3.78Å; L93-Q491 WeakPolarHBondContact O-CG 3.4Å; L93-L492 HydrophobicContact CD2-CB 4.06Å; L93-L492 HydrophobicContact CD2-CD1 4.28Å; L93-R495 HydrophobicContact CD2-CG 4.27Å; L93-V503 HydrophobicContact CD1-CG1 4.36Å; L93-V503 HydrophobicContact CD2-CG1 3.81Å; L93-V503 HydrophobicContact CG-CG1 4.02Å
94	M	91.4	Very high	91.2	Very high	26 Å²	26	30.7 Å²	30.7	13%	0.128	15%	0.153	C	C	.	.	S	Bend	trans	-134.8	76	175.5	-71.6	-172.6	-89.9	0	0	111	L87 C96 Q175 L176 W177 W488	L87-M94 PolarHBondContact O-N 3.41Å; M94-C96 PolarHBondContact O-N 2.94Å; M94-Q175 PolarHBondContact O-NE2 3.46Å; M94-L176 HydrophobicContact CE-CB 3.87Å; M94-L176 HydrophobicContact CE-CD2 4.27Å; M94-W177 HydrophobicContact CE-CD2 4.14Å; M94-W177 VanDerWaalsContact CE-CE2 3.42Å; M94-W177 HydrophobicContact CE-CG 4.39Å; M94-W177 HydrophobicContact CE-CZ2 3.67Å; M94-W177 VanDerWaalsContact CE-NE1 3.31Å; M94-W488 HydrophobicContact CE-CB 3.87Å; M94-W488 HydrophobicContact CE-CG 4.13Å; M94-W488 HydrophobicContact CG-CB 4.46Å; M94-W488 HydrophobicContact SD-CB 4.22Å
95	P	91.3	Very high	90.8	Very high	4 Å²	4	39 Å²	39	3%	0.026	18%	0.184	C	C	.	.			trans	-54.3	122.7	-170.2	-29.3	36.8	0	0	0	114.5	G89 K97 N98 Y99	G89-P95 WeakPolarHBondContact O-CA 3.41Å; G89-P95 WeakPolarHBondContact O-CB 3.49Å; P95-K97 PolarHBondContact O-N 2.92Å; P95-N98 WeakPolarHBondContact O-CB 3.34Å; P95-N98 PolarHBondContact O-N 3.34Å; P95-Y99 PolarHBondContact O-N 3.05Å
96	C	91.3	Very high	90.5	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-50.7	-41.1	178	170.6	0	0	0	0	112.2	I88 M94 N98 Y99 L100 M131	I88-C96 HydrophobicContact CB-CB 4.39Å; I88-C96 WeakPolarHBondContact O-CB 3.37Å; I88-C96 PolarHBondContact O-N 3.26Å; M94-C96 PolarHBondContact O-N 2.94Å; C96-N98 VanDerWaalsContact C-N 3.28Å; C96-N98 PolarHBondContact O-N 2.85Å; C96-Y99 PolarHBondContact O-N 2.99Å; C96-L100 WeakPolarHBondContact O-CG 3.26Å; C96-L100 PolarHBondContact O-N 2.94Å; C96-M131 HydrophobicContact CB-CG 4.19Å; C96-M131 HydrophobicContact CB-SD 4.21Å; C96-M131 VanDerWaalsContact SG-SD 3.67Å
97	K	90.6	Very high	90.1	Very high	60 Å²	60	44.6 Å²	44.6	26%	0.261	21%	0.208	S	C	.	.	H	α-helix	trans	-58.6	-34.3	177.4	-170	169.1	-179.4	166.4	0	113	E90 P95 N101 W128 M131	E90-K97 IonicContact OE1-NZ 3.56Å; E90-K97 PolarHBondContact OE1-NZ 2.86Å; E90-K97 IonicContact OE2-NZ 3.35Å; P95-K97 PolarHBondContact O-N 2.92Å; K97-N101 WeakPolarHBondContact O-CB 3.22Å; K97-N101 PolarHBondContact O-N 3.44Å; K97-N101 PolarHBondContact O-ND2 3.38Å; K97-W128 WeakPolarHBondContact CD-O 3.45Å; K97-W128 WeakPolarHBondContact CE-O 3.48Å; K97-W128 HydrophobicContact CG-CB 4.44Å; K97-W128 PolarHBondContact NZ-O 3.01Å; K97-M131 HydrophobicContact CB-CE 4.43Å
98	N	89.3	Confident	89.3	Confident	55 Å²	55	47.7 Å²	47.7	29%	0.294	24%	0.24	S	C	.	.	H	α-helix	trans	-77.3	-41.1	176.8	-71.9	6	0	0	0	110.9	P95 C96 N101 S102 N569	P95-N98 WeakPolarHBondContact O-CB 3.34Å; P95-N98 PolarHBondContact O-N 3.34Å; C96-N98 VanDerWaalsContact C-N 3.28Å; C96-N98 PolarHBondContact O-N 2.85Å; N98-N101 PolarHBondContact O-N 3.38Å; N98-S102 PolarHBondContact O-N 2.96Å; N98-S102 PolarHBondContact O-OG 3.47Å; N98-N569 PolarHBondContact ND2-O 3.01Å
99	Y	90.1	Very high	88.4	Confident	60 Å²	60	49.6 Å²	49.6	24%	0.235	26%	0.259	C	S	.	.	H	α-helix	trans	-60.6	-50	174.7	176.2	-107.5	0	0	0	112.5	P95 C96 N101 S102 V103 T119 N172 Q175	P95-Y99 PolarHBondContact O-N 3.05Å; C96-Y99 PolarHBondContact O-N 2.99Å; Y99-N101 VanDerWaalsContact C-N 3.32Å; Y99-N101 PolarHBondContact O-N 3.15Å; Y99-S102 WeakPolarHBondContact O-CB 3.3Å; Y99-S102 PolarHBondContact O-N 3.4Å; Y99-S102 VanDerWaalsContact O-N 3.1Å; Y99-V103 HydrophobicContact CD2-CG2 4.48Å; Y99-V103 HydrophobicContact CE1-CG2 4.13Å; Y99-V103 HydrophobicContact CE2-CG2 4.02Å; Y99-V103 PolarHBondContact O-N 3.11Å; Y99-T119 HydrophobicContact CE1-CG2 3.94Å; Y99-N172 WeakPolarHBondContact CE1-O 3.49Å; Y99-Q175 HydrophobicContact CD1-CG 4.15Å; Y99-Q175 HydrophobicContact CD2-CG 3.68Å; Y99-Q175 HydrophobicContact CE1-CG 4.47Å; Y99-Q175 HydrophobicContact CE2-CG 4.05Å; Y99-Q175 HydrophobicContact CG-CG 3.74Å
100	L	90.9	Very high	87.8	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-61.8	-37.1	177.5	-70	175	0	0	0	112.3	C96 K104 T119 L123 W124 W128 M131 V173	C96-L100 WeakPolarHBondContact O-CG 3.26Å; C96-L100 PolarHBondContact O-N 2.94Å; L100-K104 VanDerWaalsContact O-CB 3.23Å; L100-K104 WeakPolarHBondContact O-CB 3.29Å; L100-K104 PolarHBondContact O-N 3.44Å; L100-T119 HydrophobicContact CD2-CG2 4.48Å; L100-L123 HydrophobicContact CD1-CB 4.21Å; L100-W124 HydrophobicContact CB-CH2 4.43Å; L100-W124 HydrophobicContact CD2-CD2 4.31Å; L100-W124 HydrophobicContact CD2-CH2 4Å; L100-W124 HydrophobicContact CD2-CZ2 3.61Å; L100-W124 WeakPolarHBondContact O-CH2 3.48Å; L100-W128 HydrophobicContact CB-CH2 3.61Å; L100-W128 HydrophobicContact CB-CZ2 3.82Å; L100-W128 HydrophobicContact CB-CZ3 4.04Å; L100-W128 HydrophobicContact CD1-CZ2 3.92Å; L100-W128 HydrophobicContact CG-CZ2 4.39Å; L100-M131 HydrophobicContact CD1-CE 4.07Å; L100-V173 HydrophobicContact CD1-CG1 4.49Å; L100-V173 HydrophobicContact CD2-CG1 3.96Å; L100-V173 HydrophobicContact CG-CG1 4.39Å
101	N	90.1	Very high	87.3	Confident	54 Å²	54	58.7 Å²	58.7	29%	0.289	30%	0.3	S	S	.	.	H	α-helix	trans	-65.6	-39.7	172.2	-87.6	-62.2	0	0	0	112.7	K97 N98 Y99 K104 R105	K97-N101 WeakPolarHBondContact O-CB 3.22Å; K97-N101 PolarHBondContact O-N 3.44Å; K97-N101 PolarHBondContact O-ND2 3.38Å; N98-N101 PolarHBondContact O-N 3.38Å; Y99-N101 VanDerWaalsContact C-N 3.32Å; Y99-N101 PolarHBondContact O-N 3.15Å; N101-K104 PolarHBondContact O-N 3.23Å; N101-R105 VanDerWaalsContact O-CG 3.31Å; N101-R105 WeakPolarHBondContact O-CG 3.43Å; N101-R105 PolarHBondContact O-N 2.82Å
102	S	88.6	Confident	87	Confident	68 Å²	68	56.1 Å²	56.1	48%	0.476	29%	0.294	S	S	.	.	H	α-helix	trans	-65.3	-43.6	175.7	-67.5	0	0	0	0	112.2	N98 Y99 R105 Y106	N98-S102 PolarHBondContact O-N 2.96Å; N98-S102 PolarHBondContact O-OG 3.47Å; Y99-S102 WeakPolarHBondContact O-CB 3.3Å; Y99-S102 PolarHBondContact O-N 3.4Å; Y99-S102 VanDerWaalsContact O-N 3.1Å; S102-R105 PolarHBondContact O-N 2.83Å; S102-Y106 WeakPolarHBondContact O-CB 3.38Å; S102-Y106 PolarHBondContact O-N 3.3Å
103	V	88.2	Confident	86.4	Confident	6 Å²	6	61.8 Å²	61.8	4%	0.036	33%	0.329	C	S	.	.	H	α-helix	trans	-62.1	-44.8	172.6	174.8	0	0	0	0	110.8	Y99 R105 Y106 V107 Y118 W124	Y99-V103 HydrophobicContact CD2-CG2 4.48Å; Y99-V103 HydrophobicContact CE1-CG2 4.13Å; Y99-V103 HydrophobicContact CE2-CG2 4.02Å; Y99-V103 PolarHBondContact O-N 3.11Å; V103-R105 VanDerWaalsContact C-N 3.31Å; V103-R105 PolarHBondContact O-N 3.45Å; V103-Y106 PolarHBondContact O-N 3.49Å; V103-V107 HydrophobicContact CG1-CG2 4.21Å; V103-V107 WeakPolarHBondContact O-CG2 3.24Å; V103-V107 PolarHBondContact O-N 2.88Å; V103-Y118 HydrophobicContact CG1-CD1 3.69Å; V103-Y118 HydrophobicContact CG1-CE1 4.36Å; V103-Y118 HydrophobicContact CG2-CD1 4.09Å; V103-Y118 HydrophobicContact CG2-CE1 3.99Å; V103-W124 HydrophobicContact CB-CH2 4.1Å; V103-W124 HydrophobicContact CB-CZ2 4.25Å; V103-W124 HydrophobicContact CG1-CH2 3.91Å; V103-W124 HydrophobicContact CG1-CZ2 3.79Å
104	K	88.9	Confident	85.9	Confident	66 Å²	66	65.4 Å²	65.4	29%	0.287	35%	0.353	S	S	.	.	H	α-helix	trans	-57.9	-41.8	176.2	-176.8	178.1	175.4	-179.1	0	111.9	L100 N101 G109 I111 W124 W128	L100-K104 VanDerWaalsContact O-CB 3.23Å; L100-K104 WeakPolarHBondContact O-CB 3.29Å; L100-K104 PolarHBondContact O-N 3.44Å; N101-K104 PolarHBondContact O-N 3.23Å; K104-G109 WeakPolarHBondContact CE-O 3.48Å; K104-G109 WeakPolarHBondContact CG-O 3.19Å; K104-G109 WeakPolarHBondContact O-CA 3.31Å; K104-G109 PolarHBondContact O-N 3.41Å; K104-I111 HydrophobicContact CD-CG1 4.16Å; K104-W124 HydrophobicContact CB-CH2 4.3Å; K104-W124 HydrophobicContact CB-CZ3 4.14Å; K104-W128 HydrophobicContact CD-CH2 4.34Å
105	R	88.3	Confident	85.4	Confident	175 Å²	175	64.2 Å²	64.2	66%	0.66	35%	0.348	S	S	*	.	H	α-helix	trans	-64.7	-49.6	174.9	-72.5	169.7	-177	179.5	0.7	111.6	N101 S102 V103 V107 G108	N101-R105 VanDerWaalsContact O-CG 3.31Å; N101-R105 WeakPolarHBondContact O-CG 3.43Å; N101-R105 PolarHBondContact O-N 2.82Å; S102-R105 PolarHBondContact O-N 2.83Å; V103-R105 VanDerWaalsContact C-N 3.31Å; V103-R105 PolarHBondContact O-N 3.45Å; R105-V107 VanDerWaalsContact C-N 3.27Å; R105-V107 PolarHBondContact O-N 3.47Å; R105-G108 PolarHBondContact O-N 3.1Å
106	Y	87.4	Confident	85.1	Confident	185 Å²	185	66.4 Å²	66.4	73%	0.725	36%	0.359	S	S	*	.	H	α-helix	trans	-57.5	-38.4	179.8	-178.1	-105.7	0	0	0	112.7	S102 V103 G108	S102-Y106 WeakPolarHBondContact O-CB 3.38Å; S102-Y106 PolarHBondContact O-N 3.3Å; V103-Y106 PolarHBondContact O-N 3.49Å; Y106-G108 VanDerWaalsContact C-N 3.29Å; Y106-G108 PolarHBondContact O-N 2.99Å
107	V	86.6	Confident	84.7	Confident	39 Å²	39	69.2 Å²	69.2	24%	0.236	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	24.2	-176.9	-171.4	0	0	0	0	112.7	V103 R105 A115	V103-V107 HydrophobicContact CG1-CG2 4.21Å; V103-V107 WeakPolarHBondContact O-CG2 3.24Å; V103-V107 PolarHBondContact O-N 2.88Å; R105-V107 VanDerWaalsContact C-N 3.27Å; R105-V107 PolarHBondContact O-N 3.47Å; V107-A115 HydrophobicContact CG1-CB 4.33Å
108	G	78.9	Confident	84.4	Confident	65 Å²	65	72.8 Å²	72.8	67%	0.67	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.2	25.8	172.2	0	0	0	0	0	115.5	R105 Y106 K110	R105-G108 PolarHBondContact O-N 3.1Å; Y106-G108 VanDerWaalsContact C-N 3.29Å; Y106-G108 PolarHBondContact O-N 2.99Å; G108-K110 VanDerWaalsContact C-N 3.28Å; G108-K110 PolarHBondContact O-N 3.12Å; G108-K110 VanDerWaalsContact O-N 3.14Å
109	G	75.1	Confident	84.3	Confident	39 Å²	39	70.2 Å²	70.2	40%	0.402	38%	0.381	S	S	.	.	S	Bend	trans	81.5	-16.8	166.9	0	0	0	0	0	116.7	K104	K104-G109 WeakPolarHBondContact CE-O 3.48Å; K104-G109 WeakPolarHBondContact CG-O 3.19Å; K104-G109 WeakPolarHBondContact O-CA 3.31Å; K104-G109 PolarHBondContact O-N 3.41Å
110	K	79.4	Confident	84.3	Confident	171 Å²	171	68.3 Å²	68.3	74%	0.743	38%	0.377	S	S	*	.	S	Bend	trans	-100.6	137.9	-177.8	-64.7	-176.9	-174.6	-179.2	0	111.7	G108 G112	G108-K110 VanDerWaalsContact C-N 3.28Å; G108-K110 PolarHBondContact O-N 3.12Å; G108-K110 VanDerWaalsContact O-N 3.14Å; K110-G112 PolarHBondContact O-N 3.16Å
111	I	79.4	Confident	84.4	Confident	76 Å²	76	68.7 Å²	68.7	39%	0.39	38%	0.379	S	S	.	.			trans	-75.8	117.9	167.1	-56.9	177	0	0	0	106.5	K104 W124 W128	K104-I111 HydrophobicContact CD-CG1 4.16Å; I111-W124 HydrophobicContact CB-CE3 4.44Å; I111-W124 HydrophobicContact CD1-CE3 4.12Å; I111-W124 HydrophobicContact CG1-CE3 3.91Å; I111-W124 HydrophobicContact CG1-CZ3 4.11Å; I111-W124 HydrophobicContact CG2-CB 4.11Å; I111-W124 HydrophobicContact CG2-CD2 4.37Å; I111-W124 HydrophobicContact CG2-CE3 3.85Å; I111-W128 HydrophobicContact CD1-CZ2 4.35Å
112	G	78.9	Confident	84.5	Confident	30 Å²	30	68.5 Å²	68.5	31%	0.309	38%	0.378	S	S	.	.	S	Bend	trans	-167	-173	-173.1	0	0	0	0	0	112.2	K110 S114 A115 L116	K110-G112 PolarHBondContact O-N 3.16Å; G112-S114 VanDerWaalsContact C-N 3.28Å; G112-S114 PolarHBondContact O-N 2.92Å; G112-A115 PolarHBondContact O-N 3.04Å; G112-L116 PolarHBondContact O-N 3.23Å
113	T	78.1	Confident	84.7	Confident	119 Å²	119	65.3 Å²	65.3	73%	0.73	36%	0.355	S	S	*	.	H	α-helix	trans	-51.8	-42.7	-175.6	46.9	0	0	0	0	113.3	A115 L116 A117	T113-A115 PolarHBondContact O-N 3.31Å; T113-L116 PolarHBondContact O-N 3.31Å; T113-A117 WeakPolarHBondContact O-CB 3.48Å; T113-A117 PolarHBondContact O-N 3.23Å
114	S	80.6	Confident	84.8	Confident	75 Å²	75	65.5 Å²	65.5	52%	0.524	36%	0.355	S	S	.	.	H	α-helix	trans	-65.4	-36.2	179.1	-51.9	0	0	0	0	113.5	G112 A117 Y118	G112-S114 VanDerWaalsContact C-N 3.28Å; G112-S114 PolarHBondContact O-N 2.92Å; S114-A117 PolarHBondContact O-N 3.18Å; S114-Y118 PolarHBondContact O-N 2.93Å; S114-Y118 VanDerWaalsContact O-N 3.1Å
115	A	82	Confident	84.8	Confident	1 Å²	1	69.3 Å²	69.3	1%	0.008	37%	0.372	C	S	.	.	H	α-helix	trans	-72.8	-39.1	177	0	0	0	0	0	111.1	V107 G112 T113 A117 Y118 T119 W124	V107-A115 HydrophobicContact CG1-CB 4.33Å; G112-A115 PolarHBondContact O-N 3.04Å; T113-A115 PolarHBondContact O-N 3.31Å; A115-A117 VanDerWaalsContact C-N 3.33Å; A115-Y118 PolarHBondContact O-N 3.43Å; A115-T119 PolarHBondContact O-N 3.26Å; A115-W124 HydrophobicContact CB-CH2 4.15Å; A115-W124 HydrophobicContact CB-CZ2 4.12Å; A115-W124 HydrophobicContact CB-CZ3 4.44Å
116	L	85	Confident	85	Confident	50 Å²	50	64.1 Å²	64.1	26%	0.262	36%	0.357	S	S	.	.	H	α-helix	trans	-66	-32.6	172.8	-75.3	159.4	0	0	0	112.6	G112 T113 T119 P120 W124 F125	G112-L116 PolarHBondContact O-N 3.23Å; T113-L116 PolarHBondContact O-N 3.31Å; L116-T119 CarbonylContact O-C 3.58Å; L116-P120 WeakPolarHBondContact O-CA 3.42Å; L116-P120 VanDerWaalsContact O-CB 3.26Å; L116-P120 WeakPolarHBondContact O-CB 3.5Å; L116-P120 WeakPolarHBondContact O-CG 3.17Å; L116-W124 HydrophobicContact CD2-CB 4.2Å; L116-W124 HydrophobicContact CD2-CG 4.2Å; L116-F125 HydrophobicContact CD1-CE1 4.36Å; L116-F125 HydrophobicContact CD1-CZ 3.77Å; L116-F125 HydrophobicContact CD2-CE2 3.82Å; L116-F125 HydrophobicContact CD2-CZ 3.71Å; L116-F125 HydrophobicContact CG-CZ 4.37Å
117	A	83.5	Confident	85	Confident	59 Å²	59	60.2 Å²	60.2	49%	0.488	35%	0.349	S	S	.	.	H	α-helix	trans	-73.4	-35	175.5	0	0	0	0	0	112.7	T113 S114 A115	T113-A117 WeakPolarHBondContact O-CB 3.48Å; T113-A117 PolarHBondContact O-N 3.23Å; S114-A117 PolarHBondContact O-N 3.18Å; A115-A117 VanDerWaalsContact C-N 3.33Å
118	Y	83.8	Confident	85.1	Confident	135 Å²	135	59.8 Å²	59.8	53%	0.529	34%	0.343	S	S	.	.	H	α-helix	trans	-79.1	-36.2	178.2	-171.2	-95.7	0	0	0	113.1	V103 S114 A115	V103-Y118 HydrophobicContact CG1-CD1 3.69Å; V103-Y118 HydrophobicContact CG1-CE1 4.36Å; V103-Y118 HydrophobicContact CG2-CD1 4.09Å; V103-Y118 HydrophobicContact CG2-CE1 3.99Å; S114-Y118 PolarHBondContact O-N 2.93Å; S114-Y118 VanDerWaalsContact O-N 3.1Å; A115-Y118 PolarHBondContact O-N 3.43Å
119	T	87.4	Confident	85.5	Confident	1 Å²	1	60.8 Å²	60.8	1%	0.006	34%	0.336	C	S	.	.	S	Bend	trans	-138.2	79.7	178.8	-52.7	0	0	0	0	110	Y99 L100 A115 L116 S121 W124 N172 V173	Y99-T119 HydrophobicContact CE1-CG2 3.94Å; L100-T119 HydrophobicContact CD2-CG2 4.48Å; A115-T119 PolarHBondContact O-N 3.26Å; L116-T119 CarbonylContact O-C 3.58Å; T119-S121 PolarHBondContact O-N 3.1Å; T119-W124 PolarHBondContact O-NE1 3.14Å; T119-N172 HydrophobicContact CG2-CB 3.94Å; T119-V173 HydrophobicContact CG2-CG1 4.38Å
120	P	89.8	Confident	86.2	Confident	21 Å²	21	62 Å²	62	14%	0.136	34%	0.338	C	S	.	.			trans	-72.2	105.1	-175.8	-8.5	21.3	0	0	0	111.2	L116 H168 N172 P408 L409	L116-P120 WeakPolarHBondContact O-CA 3.42Å; L116-P120 VanDerWaalsContact O-CB 3.26Å; L116-P120 WeakPolarHBondContact O-CB 3.5Å; L116-P120 WeakPolarHBondContact O-CG 3.17Å; P120-H168 PolarHBondContact O-ND1 3.08Å; P120-N172 PolarHBondContact O-ND2 2.73Å; P120-N172 VanDerWaalsContact O-ND2 3.14Å; P120-P408 HydrophobicContact CG-CB 4.46Å; P120-L409 HydrophobicContact CB-CD2 4.46Å; P120-L409 HydrophobicContact CG-CD2 4.34Å
121	S	92	Very high	86.8	Confident	7 Å²	7	53.8 Å²	53.8	5%	0.049	30%	0.303	C	S	.	.			trans	-152.1	144.5	-175.2	-177.9	0	0	0	0	111.6	T119 L123 W124 S169	T119-S121 PolarHBondContact O-N 3.1Å; S121-L123 PolarHBondContact O-N 3.47Å; S121-L123 PolarHBondContact OG-N 3.39Å; S121-W124 VanDerWaalsContact O-CD1 3.3Å; S121-S169 WeakPolarHBondContact OG-CA 3.33Å; S121-S169 VanDerWaalsContact OG-CB 3.28Å; S121-S169 WeakPolarHBondContact OG-CB 3.43Å; S121-S169 PolarHBondContact OG-O 2.95Å; S121-S169 VanDerWaalsContact OG-O 3.06Å
122	I	93.1	Very high	87.4	Confident	51 Å²	51	51.4 Å²	51.4	26%	0.262	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-70.6	-16.1	175.2	67.6	176.6	0	0	0	113.2	W124 F125 L126 I138 V165 L166 S169	I122-W124 PolarHBondContact O-N 2.82Å; I122-W124 VanDerWaalsContact O-N 3.12Å; I122-F125 PolarHBondContact O-N 2.84Å; I122-L126 HydrophobicContact CG1-CD1 4.42Å; I122-I138 HydrophobicContact CD1-CD1 4.09Å; I122-I138 HydrophobicContact CD1-CG1 4.16Å; I122-I138 HydrophobicContact CG1-CD1 4.14Å; I122-V165 HydrophobicContact CG2-CG1 3.47Å; I122-V165 VanDerWaalsContact CG2-CG1 3.47Å; I122-L166 HydrophobicContact CD1-CD2 3.84Å; I122-S169 PolarHBondContact N-OG 3.48Å
123	L	91.9	Very high	88.2	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-63.4	-16.7	179.6	-72.4	162.8	0	0	0	113.1	L100 S121 F125 L126 W128 M131 N134 L135 I138 V173	L100-L123 HydrophobicContact CD1-CB 4.21Å; S121-L123 PolarHBondContact O-N 3.47Å; S121-L123 PolarHBondContact OG-N 3.39Å; L123-F125 PolarHBondContact O-N 2.87Å; L123-L126 HydrophobicContact CD2-CD1 4.13Å; L123-L126 PolarHBondContact O-N 2.64Å; L123-W128 PolarHBondContact O-NE1 3.14Å; L123-M131 HydrophobicContact CD1-SD 4.48Å; L123-M131 HydrophobicContact CD2-SD 3.85Å; L123-N134 HydrophobicContact CD2-CB 3.8Å; L123-L135 HydrophobicContact CD1-CD2 4.48Å; L123-I138 HydrophobicContact CD1-CD1 4.48Å; L123-I138 HydrophobicContact CD2-CD1 3.93Å; L123-I138 HydrophobicContact CG-CD1 4.06Å; L123-V173 HydrophobicContact CD1-CB 4.34Å; L123-V173 HydrophobicContact CD1-CG1 3.88Å; L123-V173 HydrophobicContact CD1-CG2 3.69Å
124	W	90.1	Very high	89	Confident	10 Å²	10	48.4 Å²	48.4	4%	0.038	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-66.3	-17.1	169.8	-68.7	111.7	0	0	0	114.1	L100 V103 K104 I111 A115 L116 T119 S121 I122 W128	L100-W124 HydrophobicContact CB-CH2 4.43Å; L100-W124 HydrophobicContact CD2-CD2 4.31Å; L100-W124 HydrophobicContact CD2-CH2 4Å; L100-W124 HydrophobicContact CD2-CZ2 3.61Å; L100-W124 WeakPolarHBondContact O-CH2 3.48Å; V103-W124 HydrophobicContact CB-CH2 4.1Å; V103-W124 HydrophobicContact CB-CZ2 4.25Å; V103-W124 HydrophobicContact CG1-CH2 3.91Å; V103-W124 HydrophobicContact CG1-CZ2 3.79Å; K104-W124 HydrophobicContact CB-CH2 4.3Å; K104-W124 HydrophobicContact CB-CZ3 4.14Å; I111-W124 HydrophobicContact CB-CE3 4.44Å; I111-W124 HydrophobicContact CD1-CE3 4.12Å; I111-W124 HydrophobicContact CG1-CE3 3.91Å; I111-W124 HydrophobicContact CG1-CZ3 4.11Å; I111-W124 HydrophobicContact CG2-CB 4.11Å; I111-W124 HydrophobicContact CG2-CD2 4.37Å; I111-W124 HydrophobicContact CG2-CE3 3.85Å; A115-W124 HydrophobicContact CB-CH2 4.15Å; A115-W124 HydrophobicContact CB-CZ2 4.12Å; A115-W124 HydrophobicContact CB-CZ3 4.44Å; L116-W124 HydrophobicContact CD2-CB 4.2Å; L116-W124 HydrophobicContact CD2-CG 4.2Å; T119-W124 PolarHBondContact O-NE1 3.14Å; S121-W124 VanDerWaalsContact O-CD1 3.3Å; I122-W124 PolarHBondContact O-N 2.82Å; I122-W124 VanDerWaalsContact O-N 3.12Å; W124-W128 HydrophobicContact CE3-CH2 4.03Å; W124-W128 AromaticContact CE3-CZ2 3.65Å; W124-W128 HydrophobicContact CE3-CZ2 3.65Å; W124-W128 AromaticContact CZ3-CH2 3.68Å; W124-W128 HydrophobicContact CZ3-CH2 3.68Å; W124-W128 AromaticContact CZ3-CZ2 3.8Å; W124-W128 HydrophobicContact CZ3-CZ2 3.8Å
125	F	90.4	Very high	89.8	Confident	146 Å²	146	44.9 Å²	44.9	64%	0.64	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-111	2.1	-178.3	-50.2	-71.8	0	0	0	113.5	L116 I122 L123	L116-F125 HydrophobicContact CD1-CE1 4.36Å; L116-F125 HydrophobicContact CD1-CZ 3.77Å; L116-F125 HydrophobicContact CD2-CE2 3.82Å; L116-F125 HydrophobicContact CD2-CZ 3.71Å; L116-F125 HydrophobicContact CG-CZ 4.37Å; I122-F125 PolarHBondContact O-N 2.84Å; L123-F125 PolarHBondContact O-N 2.87Å
126	L	90.8	Very high	90.5	Very high	66 Å²	66	46.7 Å²	46.7	35%	0.346	26%	0.256	S	S	.	.	S	Bend	trans	-108.1	153	178.6	-64.1	174.7	0	0	0	109.8	I122 L123 W128 N134 I138	I122-L126 HydrophobicContact CG1-CD1 4.42Å; L123-L126 HydrophobicContact CD2-CD1 4.13Å; L123-L126 PolarHBondContact O-N 2.64Å; L126-W128 PolarHBondContact O-NE1 2.9Å; L126-N134 HydrophobicContact CD1-CB 4.35Å; L126-I138 HydrophobicContact CD1-CD1 4.48Å
127	D	88.2	Confident	91	Very high	103 Å²	103	48 Å²	48	55%	0.551	27%	0.269	S	S	*	.			trans	-71.3	133.1	178.3	-174.8	12.9	0	0	0	111.3	T129 N134	D127-T129 VanDerWaalsContact C-N 3.33Å; D127-T129 VanDerWaalsContact CG-OG1 3.23Å; D127-T129 WeakPolarHBondContact OD1-CG2 3.32Å; D127-T129 PolarHBondContact OD1-N 3.48Å; D127-T129 VanDerWaalsContact OD1-N 3.13Å; D127-T129 WeakPolarHBondContact OD2-CB 3.5Å; D127-T129 VanDerWaalsContact OD2-CG2 3.24Å; D127-T129 WeakPolarHBondContact OD2-CG2 3.46Å; D127-T129 PolarHBondContact OD2-OG1 2.93Å; D127-N134 PolarHBondContact O-ND2 2.96Å
128	W	88.3	Confident	91.7	Very high	31 Å²	31	45.5 Å²	45.5	12%	0.117	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-87.7	2.7	-178.9	-57.8	-5.1	0	0	0	112.9	K97 L100 K104 I111 L123 W124 L126 S130 M131	K97-W128 WeakPolarHBondContact CD-O 3.45Å; K97-W128 WeakPolarHBondContact CE-O 3.48Å; K97-W128 HydrophobicContact CG-CB 4.44Å; K97-W128 PolarHBondContact NZ-O 3.01Å; L100-W128 HydrophobicContact CB-CH2 3.61Å; L100-W128 HydrophobicContact CB-CZ2 3.82Å; L100-W128 HydrophobicContact CB-CZ3 4.04Å; L100-W128 HydrophobicContact CD1-CZ2 3.92Å; L100-W128 HydrophobicContact CG-CZ2 4.39Å; K104-W128 HydrophobicContact CD-CH2 4.34Å; I111-W128 HydrophobicContact CD1-CZ2 4.35Å; L123-W128 PolarHBondContact O-NE1 3.14Å; W124-W128 HydrophobicContact CE3-CH2 4.03Å; W124-W128 AromaticContact CE3-CZ2 3.65Å; W124-W128 HydrophobicContact CE3-CZ2 3.65Å; W124-W128 AromaticContact CZ3-CH2 3.68Å; W124-W128 HydrophobicContact CZ3-CH2 3.68Å; W124-W128 AromaticContact CZ3-CZ2 3.8Å; W124-W128 HydrophobicContact CZ3-CZ2 3.8Å; L126-W128 PolarHBondContact O-NE1 2.9Å; W128-S130 PolarHBondContact O-N 3.49Å; W128-M131 HydrophobicContact CB-CE 4.09Å; W128-M131 HydrophobicContact CG-CE 3.87Å
129	T	87.2	Confident	92.4	Very high	85 Å²	85	39 Å²	39	52%	0.521	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-66.2	-24.3	171.5	60.6	0	0	0	0	113.8	D127	D127-T129 VanDerWaalsContact C-N 3.33Å; D127-T129 VanDerWaalsContact CG-OG1 3.23Å; D127-T129 WeakPolarHBondContact OD1-CG2 3.32Å; D127-T129 PolarHBondContact OD1-N 3.48Å; D127-T129 VanDerWaalsContact OD1-N 3.13Å; D127-T129 WeakPolarHBondContact OD2-CB 3.5Å; D127-T129 VanDerWaalsContact OD2-CG2 3.24Å; D127-T129 WeakPolarHBondContact OD2-CG2 3.46Å; D127-T129 PolarHBondContact OD2-OG1 2.93Å
130	S	89.9	Confident	92.9	Very high	64 Å²	64	42.9 Å²	42.9	45%	0.448	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-135.2	54	-172.8	-60.4	0	0	0	0	111	W128 D132 A133 N134	W128-S130 PolarHBondContact O-N 3.49Å; S130-D132 VanDerWaalsContact C-N 3.31Å; S130-D132 PolarHBondContact O-N 3.28Å; S130-A133 PolarHBondContact O-N 3.03Å; S130-N134 PolarHBondContact O-N 2.61Å
131	M	91.5	Very high	93.3	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-60.3	-37.8	-173.1	-174.5	61.4	66.5	0	0	112.9	E90 C96 K97 L100 L123 W128 A133 N134 L135	E90-M131 HydrophobicContact CG-CB 3.67Å; E90-M131 WeakPolarHBondContact OE1-CB 3.33Å; E90-M131 PolarHBondContact OE1-N 3.36Å; C96-M131 HydrophobicContact CB-CG 4.19Å; C96-M131 HydrophobicContact CB-SD 4.21Å; C96-M131 VanDerWaalsContact SG-SD 3.67Å; K97-M131 HydrophobicContact CB-CE 4.43Å; L100-M131 HydrophobicContact CD1-CE 4.07Å; L123-M131 HydrophobicContact CD1-SD 4.48Å; L123-M131 HydrophobicContact CD2-SD 3.85Å; W128-M131 HydrophobicContact CB-CE 4.09Å; W128-M131 HydrophobicContact CG-CE 3.87Å; M131-A133 PolarHBondContact O-N 3.07Å; M131-N134 WeakPolarHBondContact O-CB 3.49Å; M131-N134 PolarHBondContact O-N 3.03Å; M131-L135 HydrophobicContact CG-CD1 4.09Å; M131-L135 HydrophobicContact CG-CG 4.46Å; M131-L135 WeakPolarHBondContact O-CG 3.27Å; M131-L135 PolarHBondContact O-N 3.19Å
132	D	93.7	Very high	93.6	Very high	26 Å²	26	45.3 Å²	45.3	14%	0.139	25%	0.253	C	S	.	.	H	α-helix	trans	-57.7	-47.7	175.8	-74.4	11.6	0	0	0	111.4	K85 G89 E90 S130 N134 L135 D136	K85-D132 WeakPolarHBondContact CD-OD2 3.31Å; K85-D132 WeakPolarHBondContact CE-OD2 3.45Å; K85-D132 WeakPolarHBondContact CG-OD2 3.44Å; K85-D132 IonicContact NZ-OD2 3.9Å; K85-D132 PolarHBondContact NZ-OD2 3.28Å; K85-D132 VanDerWaalsContact NZ-OD2 3.15Å; G89-D132 WeakPolarHBondContact CA-OD1 3.44Å; E90-D132 PolarHBondContact N-OD1 3.17Å; S130-D132 VanDerWaalsContact C-N 3.31Å; S130-D132 PolarHBondContact O-N 3.28Å; D132-N134 VanDerWaalsContact C-N 3.32Å; D132-N134 PolarHBondContact O-N 3.24Å; D132-L135 PolarHBondContact O-N 3.18Å; D132-D136 PolarHBondContact O-N 3.4Å
133	A	95.1	Very high	93.8	Very high	59 Å²	59	44.1 Å²	44.1	49%	0.488	25%	0.246	S	C	.	.	H	α-helix	trans	-65.3	-34.2	179.3	0	0	0	0	0	112.3	S130 M131 C137	S130-A133 PolarHBondContact O-N 3.03Å; M131-A133 PolarHBondContact O-N 3.07Å; A133-C137 WeakPolarHBondContact O-CB 3.44Å; A133-C137 PolarHBondContact O-N 2.89Å
134	N	95.8	Very high	94.1	Very high	27 Å²	27	47.1 Å²	47.1	14%	0.144	27%	0.271	C	S	.	.	H	α-helix	trans	-65.1	-44.4	172.1	-67.7	-37.3	0	0	0	111.8	L123 L126 D127 S130 M131 D132 C137 I138	L123-N134 HydrophobicContact CD2-CB 3.8Å; L126-N134 HydrophobicContact CD1-CB 4.35Å; D127-N134 PolarHBondContact O-ND2 2.96Å; S130-N134 PolarHBondContact O-N 2.61Å; M131-N134 WeakPolarHBondContact O-CB 3.49Å; M131-N134 PolarHBondContact O-N 3.03Å; D132-N134 VanDerWaalsContact C-N 3.32Å; D132-N134 PolarHBondContact O-N 3.24Å; N134-C137 PolarHBondContact O-N 2.95Å; N134-I138 WeakPolarHBondContact O-CB 3.24Å; N134-I138 VanDerWaalsContact O-CG1 3.22Å; N134-I138 WeakPolarHBondContact O-CG1 3.38Å; N134-I138 PolarHBondContact O-N 3.4Å
135	L	96	Very high	94.5	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.005	28%	0.279	C	S	.	.	H	α-helix	trans	-64.3	-44.3	179.1	-70.7	167.2	0	0	0	111.4	N84 I88 L123 M131 D132 I138 A139 L170	N84-L135 HydrophobicContact CB-CB 4.39Å; N84-L135 HydrophobicContact CB-CD1 4.46Å; I88-L135 HydrophobicContact CD1-CD1 4.45Å; I88-L135 HydrophobicContact CD1-CD2 3.92Å; I88-L135 HydrophobicContact CG1-CD1 4.06Å; I88-L135 HydrophobicContact CG1-CD2 4.42Å; L123-L135 HydrophobicContact CD1-CD2 4.48Å; M131-L135 HydrophobicContact CG-CD1 4.09Å; M131-L135 HydrophobicContact CG-CG 4.46Å; M131-L135 WeakPolarHBondContact O-CG 3.27Å; M131-L135 PolarHBondContact O-N 3.19Å; D132-L135 PolarHBondContact O-N 3.18Å; L135-I138 PolarHBondContact O-N 3.08Å; L135-A139 WeakPolarHBondContact O-CB 3.44Å; L135-A139 PolarHBondContact O-N 2.85Å; L135-L170 HydrophobicContact CD2-CD2 3.82Å
136	D	96.5	Very high	94.9	Very high	38 Å²	38	41.5 Å²	41.5	20%	0.203	25%	0.248	C	C	.	.	H	α-helix	trans	-63.9	-44.7	175.8	-70.8	-15.1	0	0	0	111.1	Y81 D132 A139 L140	Y81-D136 HydrophobicContact CD2-CB 4.42Å; Y81-D136 HydrophobicContact CE2-CB 4.22Å; D132-D136 PolarHBondContact O-N 3.4Å; D136-A139 PolarHBondContact O-N 2.95Å; D136-L140 VanDerWaalsContact O-CB 3.3Å; D136-L140 WeakPolarHBondContact O-CB 3.34Å; D136-L140 WeakPolarHBondContact O-CD1 3.42Å; D136-L140 VanDerWaalsContact O-CG 3.23Å; D136-L140 WeakPolarHBondContact O-CG 3.4Å; D136-L140 PolarHBondContact O-N 3.48Å
137	C	96.9	Very high	95.2	Very high	79 Å²	79	39.1 Å²	39.1	53%	0.534	24%	0.24	S	C	.	.	H	α-helix	trans	-60.9	-45.6	176.8	-177.1	0	0	0	0	112.2	A133 N134 A139 L140 L141	A133-C137 WeakPolarHBondContact O-CB 3.44Å; A133-C137 PolarHBondContact O-N 2.89Å; N134-C137 PolarHBondContact O-N 2.95Å; C137-A139 VanDerWaalsContact C-N 3.32Å; C137-A139 PolarHBondContact O-N 3.08Å; C137-L140 PolarHBondContact O-N 2.94Å; C137-L141 VanDerWaalsContact O-CB 3.24Å; C137-L141 WeakPolarHBondContact O-CB 3.49Å; C137-L141 PolarHBondContact O-N 3.43Å
138	I	97.4	Very high	95.7	Very high	5 Å²	5	38 Å²	38	3%	0.026	23%	0.23	C	C	.	.	H	α-helix	trans	-60.1	-43.1	176	-73	169.1	0	0	0	110.9	I122 L123 L126 N134 L135 G142 L166 L170	I122-I138 HydrophobicContact CD1-CD1 4.09Å; I122-I138 HydrophobicContact CD1-CG1 4.16Å; I122-I138 HydrophobicContact CG1-CD1 4.14Å; L123-I138 HydrophobicContact CD1-CD1 4.48Å; L123-I138 HydrophobicContact CD2-CD1 3.93Å; L123-I138 HydrophobicContact CG-CD1 4.06Å; L126-I138 HydrophobicContact CD1-CD1 4.48Å; N134-I138 WeakPolarHBondContact O-CB 3.24Å; N134-I138 VanDerWaalsContact O-CG1 3.22Å; N134-I138 WeakPolarHBondContact O-CG1 3.38Å; N134-I138 PolarHBondContact O-N 3.4Å; L135-I138 PolarHBondContact O-N 3.08Å; I138-G142 PolarHBondContact O-N 3.18Å; I138-L166 HydrophobicContact CB-CD2 4.26Å; I138-L166 HydrophobicContact CG1-CD2 4.05Å; I138-L166 HydrophobicContact CG2-CB 4.21Å; I138-L166 HydrophobicContact CG2-CD2 3.93Å; I138-L170 HydrophobicContact CG2-CD1 3.99Å; I138-L170 HydrophobicContact CG2-CD2 3.8Å; I138-L170 HydrophobicContact CG2-CG 3.76Å
139	A	97.6	Very high	96.1	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-71.3	-43.4	179.8	0	0	0	0	0	112.7	A80 Y81 L135 D136 C137 G142 M143	A80-A139 HydrophobicContact CB-CB 4.24Å; Y81-A139 HydrophobicContact CD2-CB 4.39Å; L135-A139 WeakPolarHBondContact O-CB 3.44Å; L135-A139 PolarHBondContact O-N 2.85Å; D136-A139 PolarHBondContact O-N 2.95Å; C137-A139 VanDerWaalsContact C-N 3.32Å; C137-A139 PolarHBondContact O-N 3.08Å; A139-G142 PolarHBondContact O-N 3.23Å; A139-M143 WeakPolarHBondContact O-CG 3.49Å; A139-M143 PolarHBondContact O-N 3.02Å
140	L	98.3	Very high	96.5	Very high	82 Å²	82	34.9 Å²	34.9	43%	0.429	21%	0.212	S	C	.	.	H	α-helix	trans	-63.7	-45	176.9	-73.5	163.8	0	0	0	111.9	Y81 D136 C137 G142 M143 A144	Y81-L140 HydrophobicContact CD2-CD2 4.3Å; Y81-L140 HydrophobicContact CD2-CG 4.04Å; Y81-L140 HydrophobicContact CE2-CD1 3.98Å; Y81-L140 HydrophobicContact CE2-CD2 3.97Å; Y81-L140 HydrophobicContact CE2-CG 3.86Å; D136-L140 VanDerWaalsContact O-CB 3.3Å; D136-L140 WeakPolarHBondContact O-CB 3.34Å; D136-L140 WeakPolarHBondContact O-CD1 3.42Å; D136-L140 VanDerWaalsContact O-CG 3.23Å; D136-L140 WeakPolarHBondContact O-CG 3.4Å; D136-L140 PolarHBondContact O-N 3.48Å; C137-L140 PolarHBondContact O-N 2.94Å; L140-G142 VanDerWaalsContact C-N 3.33Å; L140-G142 PolarHBondContact O-N 2.94Å; L140-M143 HydrophobicContact CD2-CE 3.88Å; L140-M143 HydrophobicContact CG-CE 4.4Å; L140-M143 PolarHBondContact O-N 3.17Å; L140-A144 WeakPolarHBondContact O-CB 3.43Å; L140-A144 PolarHBondContact O-N 3.07Å
141	L	98.3	Very high	96.8	Very high	79 Å²	79	37.2 Å²	37.2	41%	0.414	22%	0.223	S	C	.	.	H	α-helix	trans	-63.8	-40.4	175	-178.4	60.3	0	0	0	111.4	C137 A144 L145 L166	C137-L141 VanDerWaalsContact O-CB 3.24Å; C137-L141 WeakPolarHBondContact O-CB 3.49Å; C137-L141 PolarHBondContact O-N 3.43Å; L141-A144 PolarHBondContact O-N 3.4Å; L141-L145 HydrophobicContact CD1-CD1 3.99Å; L141-L145 HydrophobicContact CD1-CG 4.09Å; L141-L145 HydrophobicContact CG-CD1 4.04Å; L141-L145 WeakPolarHBondContact O-CB 3.42Å; L141-L145 WeakPolarHBondContact O-CG 3.42Å; L141-L145 PolarHBondContact O-N 2.9Å; L141-L166 HydrophobicContact CB-CD1 4.3Å; L141-L166 HydrophobicContact CD2-CD1 3.93Å; L141-L166 HydrophobicContact CD2-CD2 4.27Å; L141-L166 HydrophobicContact CG-CD1 3.87Å
142	G	98.2	Very high	96.8	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-60	-47.1	173.3	0	0	0	0	0	113	F77 I138 A139 L140 S146 L163	F77-G142 VanDerWaalsContact CD2-C 3.44Å; F77-G142 VanDerWaalsContact CD2-CA 3.46Å; I138-G142 PolarHBondContact O-N 3.18Å; A139-G142 PolarHBondContact O-N 3.23Å; L140-G142 VanDerWaalsContact C-N 3.33Å; L140-G142 PolarHBondContact O-N 2.94Å; G142-S146 VanDerWaalsContact O-CB 3.27Å; G142-S146 WeakPolarHBondContact O-CB 3.42Å; G142-S146 PolarHBondContact O-N 3.39Å; G142-S146 PolarHBondContact O-OG 3.48Å; G142-L163 WeakPolarHBondContact O-CD2 3.3Å
143	M	98.3	Very high	96.5	Very high	26 Å²	26	37.8 Å²	37.8	13%	0.128	23%	0.228	C	C	.	.	H	α-helix	trans	-63.2	-42.2	174.3	-74.1	-171.8	-70.3	0	0	112.4	F74 F77 T78 Y81 A139 L140 S146 G147	F74-M143 HydrophobicContact CD2-CB 4.2Å; F74-M143 HydrophobicContact CD2-CG 4.41Å; F74-M143 WeakPolarHBondContact CD2-O 3.29Å; F74-M143 HydrophobicContact CE2-CB 4.08Å; F74-M143 HydrophobicContact CE2-CG 4.38Å; F77-M143 HydrophobicContact CB-CG 3.61Å; T78-M143 VanDerWaalsContact CA-SD 3.58Å; T78-M143 HydrophobicContact CG2-SD 4.39Å; T78-M143 PolarHBondContact OG1-SD 2.93Å; Y81-M143 HydrophobicContact CD1-CE 4.02Å; Y81-M143 HydrophobicContact CD2-CE 4.31Å; Y81-M143 HydrophobicContact CG-CE 3.75Å; A139-M143 WeakPolarHBondContact O-CG 3.49Å; A139-M143 PolarHBondContact O-N 3.02Å; L140-M143 HydrophobicContact CD2-CE 3.88Å; L140-M143 HydrophobicContact CG-CE 4.4Å; L140-M143 PolarHBondContact O-N 3.17Å; M143-S146 WeakPolarHBondContact CA-OG 3.38Å; M143-S146 PolarHBondContact O-OG 3.19Å; M143-G147 WeakPolarHBondContact O-CA 3.28Å; M143-G147 PolarHBondContact O-N 3.27Å
144	A	98.4	Very high	96.4	Very high	63 Å²	63	37.7 Å²	37.7	52%	0.521	22%	0.218	S	C	.	.	H	α-helix	trans	-64.6	-48.3	179.8	0	0	0	0	0	112.3	L140 L141 F148	L140-A144 WeakPolarHBondContact O-CB 3.43Å; L140-A144 PolarHBondContact O-N 3.07Å; L141-A144 PolarHBondContact O-N 3.4Å; A144-F148 WeakPolarHBondContact O-CB 3.42Å; A144-F148 PolarHBondContact O-N 2.85Å
145	L	98.1	Very high	96.3	Very high	38 Å²	38	36.5 Å²	36.5	20%	0.199	21%	0.213	C	C	.	.	H	α-helix	trans	-66.8	-40.8	179.2	-70.6	174.9	0	0	0	112.3	L141 V149 I159 T162 L163 L166	L141-L145 HydrophobicContact CD1-CD1 3.99Å; L141-L145 HydrophobicContact CD1-CG 4.09Å; L141-L145 HydrophobicContact CG-CD1 4.04Å; L141-L145 WeakPolarHBondContact O-CB 3.42Å; L141-L145 WeakPolarHBondContact O-CG 3.42Å; L141-L145 PolarHBondContact O-N 2.9Å; L145-V149 WeakPolarHBondContact O-CG2 3.23Å; L145-V149 PolarHBondContact O-N 3.1Å; L145-I159 HydrophobicContact CB-CG2 4.34Å; L145-I159 HydrophobicContact CD2-CG1 4.49Å; L145-I159 HydrophobicContact CD2-CG2 4.36Å; L145-T162 HydrophobicContact CD1-CG2 3.53Å; L145-L163 HydrophobicContact CB-CD1 4.4Å; L145-L163 HydrophobicContact CB-CD2 3.78Å; L145-L163 HydrophobicContact CB-CG 3.99Å; L145-L166 HydrophobicContact CD1-CD1 4.35Å
146	S	98.2	Very high	96.2	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-71.3	-42	178.1	56.5	0	0	0	0	111.9	A70 F74 G142 M143 F148 V149 L150	A70-S146 WeakPolarHBondContact O-CB 3.33Å; F74-S146 VanDerWaalsContact CA-OG 3.29Å; F74-S146 WeakPolarHBondContact CA-OG 3.42Å; F74-S146 PolarHBondContact N-OG 3.38Å; G142-S146 VanDerWaalsContact O-CB 3.27Å; G142-S146 WeakPolarHBondContact O-CB 3.42Å; G142-S146 PolarHBondContact O-N 3.39Å; G142-S146 PolarHBondContact O-OG 3.48Å; M143-S146 WeakPolarHBondContact CA-OG 3.38Å; M143-S146 PolarHBondContact O-OG 3.19Å; S146-F148 VanDerWaalsContact C-N 3.33Å; S146-F148 PolarHBondContact O-N 2.92Å; S146-V149 PolarHBondContact O-N 3Å; S146-L150 VanDerWaalsContact O-CB 3.3Å; S146-L150 WeakPolarHBondContact O-CB 3.4Å; S146-L150 PolarHBondContact O-N 3.04Å
147	G	98.2	Very high	96.1	Very high	16 Å²	16	36.7 Å²	36.7	17%	0.165	21%	0.213	C	C	.	.	H	α-helix	trans	-58.1	-41.9	172.3	0	0	0	0	0	112.6	M143 L150 V151	M143-G147 WeakPolarHBondContact O-CA 3.28Å; M143-G147 PolarHBondContact O-N 3.27Å; G147-L150 PolarHBondContact O-N 3.33Å; G147-V151 WeakPolarHBondContact O-CB 3.41Å; G147-V151 WeakPolarHBondContact O-CG2 3.43Å; G147-V151 PolarHBondContact O-N 2.79Å
148	F	97.6	Very high	96.1	Very high	80 Å²	80	35.9 Å²	35.9	35%	0.351	21%	0.205	S	C	.	.	H	α-helix	trans	-58.8	-49.2	173.6	174.4	-91.5	0	0	0	112.2	A144 S146 T152 M154 I159	A144-F148 WeakPolarHBondContact O-CB 3.42Å; A144-F148 PolarHBondContact O-N 2.85Å; S146-F148 VanDerWaalsContact C-N 3.33Å; S146-F148 PolarHBondContact O-N 2.92Å; F148-T152 HydrophobicContact CD2-CG2 3.93Å; F148-T152 HydrophobicContact CE2-CG2 3.77Å; F148-T152 HydrophobicContact CG-CG2 4.45Å; F148-T152 HydrophobicContact CZ-CG2 4.14Å; F148-T152 WeakPolarHBondContact O-CB 3.45Å; F148-T152 WeakPolarHBondContact O-CG2 3.42Å; F148-T152 PolarHBondContact O-N 3.11Å; F148-T152 PolarHBondContact O-OG1 2.86Å; F148-M154 HydrophobicContact CZ-CE 4.26Å; F148-I159 HydrophobicContact CD1-CD1 4.26Å; F148-I159 HydrophobicContact CE1-CD1 4.06Å
149	V	96.9	Very high	96.1	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-65.9	-40.6	179.1	175.9	0	0	0	0	111.3	A70 L145 S146 G153 A155 I159 M160	A70-V149 HydrophobicContact CB-CB 3.83Å; A70-V149 HydrophobicContact CB-CG1 3.72Å; L145-V149 WeakPolarHBondContact O-CG2 3.23Å; L145-V149 PolarHBondContact O-N 3.1Å; S146-V149 PolarHBondContact O-N 3Å; V149-G153 VanDerWaalsContact O-CA 3.23Å; V149-G153 WeakPolarHBondContact O-CA 3.48Å; V149-G153 PolarHBondContact O-N 3.05Å; V149-A155 HydrophobicContact CB-CB 4.49Å; V149-A155 HydrophobicContact CG1-CB 3.84Å; V149-A155 HydrophobicContact CG2-CB 3.8Å; V149-I159 HydrophobicContact CG2-CG2 3.65Å; V149-M160 HydrophobicContact CG2-SD 4.45Å
150	L	96.4	Very high	96.1	Very high	50 Å²	50	36.7 Å²	36.7	26%	0.262	21%	0.209	S	C	.	.	H	α-helix	trans	-60.2	-54.8	178.3	177.8	58.4	0	0	0	111.4	R67 A70 F71 S146 G147	R67-L150 HydrophobicContact CB-CD1 4.33Å; R67-L150 PolarHBondContact NE-O 3.45Å; A70-L150 HydrophobicContact CB-CB 4.12Å; F71-L150 HydrophobicContact CB-CD1 4.04Å; F71-L150 HydrophobicContact CB-CD2 4.43Å; F71-L150 HydrophobicContact CD2-CD2 4.24Å; S146-L150 VanDerWaalsContact O-CB 3.3Å; S146-L150 WeakPolarHBondContact O-CB 3.4Å; S146-L150 PolarHBondContact O-N 3.04Å; G147-L150 PolarHBondContact O-N 3.33Å
151	V	94.8	Very high	96.1	Very high	112 Å²	112	35.6 Å²	35.6	68%	0.679	21%	0.206	S	C	*	.	H	α-helix	trans	-67.1	-55.4	-178.9	175	0	0	0	0	110.8	R67 G147 G153	R67-V151 PolarHBondContact NH2-O 3.26Å; G147-V151 WeakPolarHBondContact O-CB 3.41Å; G147-V151 WeakPolarHBondContact O-CG2 3.43Å; G147-V151 PolarHBondContact O-N 2.79Å; V151-G153 PolarHBondContact O-N 3.4Å
152	T	91.8	Very high	96	Very high	35 Å²	35	34.1 Å²	34.1	22%	0.215	20%	0.201	C	C	.	.	H	α-helix	trans	-75.7	-26.4	-172.2	67.9	0	0	0	0	113.7	F148 M154 Q204	F148-T152 HydrophobicContact CD2-CG2 3.93Å; F148-T152 HydrophobicContact CE2-CG2 3.77Å; F148-T152 HydrophobicContact CG-CG2 4.45Å; F148-T152 HydrophobicContact CZ-CG2 4.14Å; F148-T152 WeakPolarHBondContact O-CB 3.45Å; F148-T152 WeakPolarHBondContact O-CG2 3.42Å; F148-T152 PolarHBondContact O-N 3.11Å; F148-T152 PolarHBondContact O-OG1 2.86Å; T152-M154 HydrophobicContact CG2-CE 4.15Å; T152-M154 PolarHBondContact O-N 2.79Å; T152-M154 WeakPolarHBondContact OG1-CB 3.23Å; T152-M154 PolarHBondContact OG1-N 3.01Å; T152-Q204 PolarHBondContact O-NE2 2.89Å
153	G	88.9	Confident	96	Very high	3 Å²	3	34.1 Å²	34.1	3%	0.031	20%	0.201	C	C	.	.			trans	65.1	12.6	-167.4	0	0	0	0	0	113.7	V149 V151	V149-G153 VanDerWaalsContact O-CA 3.23Å; V149-G153 WeakPolarHBondContact O-CA 3.48Å; V149-G153 PolarHBondContact O-N 3.05Å; V151-G153 PolarHBondContact O-N 3.4Å
154	M	91.8	Very high	96	Very high	57 Å²	57	34.3 Å²	34.3	28%	0.281	20%	0.2	S	C	.	.			trans	-104.1	128.6	177.7	-58.5	-168	-68.4	0	0	109.5	F148 T152 Q204	F148-M154 HydrophobicContact CZ-CE 4.26Å; T152-M154 HydrophobicContact CG2-CE 4.15Å; T152-M154 PolarHBondContact O-N 2.79Å; T152-M154 WeakPolarHBondContact OG1-CB 3.23Å; T152-M154 PolarHBondContact OG1-N 3.01Å; M154-Q204 HydrophobicContact CG-CG 3.89Å
155	A	92.9	Very high	96	Very high	3 Å²	3	33.7 Å²	33.7	3%	0.025	19%	0.19	C	C	.	.			trans	-148	147.8	173.7	0	0	0	0	0	110.3	L66 V149 M160	L66-A155 HydrophobicContact CD1-CB 4.34Å; V149-A155 HydrophobicContact CB-CB 4.49Å; V149-A155 HydrophobicContact CG1-CB 3.84Å; V149-A155 HydrophobicContact CG2-CB 3.8Å; A155-M160 HydrophobicContact CB-CG 4.24Å; A155-M160 HydrophobicContact CB-SD 4.09Å
156	N	94.7	Very high	96	Very high	16 Å²	16	32.3 Å²	32.3	9%	0.086	18%	0.182	C	C	.	.			trans	-117.3	172.4	168	67.5	14.5	0	0	0	109.4	V158 I159 M160 P198 W200 L202	N156-V158 VanDerWaalsContact C-N 3.25Å; N156-V158 PolarHBondContact O-N 2.87Å; N156-V158 PolarHBondContact OD1-N 3.48Å; N156-I159 PolarHBondContact O-N 2.88Å; N156-I159 WeakPolarHBondContact OD1-CG1 3.28Å; N156-I159 PolarHBondContact OD1-N 3.37Å; N156-M160 PolarHBondContact O-N 2.73Å; N156-P198 CarbonylContact C-O 3.54Å; N156-P198 VanDerWaalsContact CA-O 3.23Å; N156-P198 WeakPolarHBondContact CA-O 3.32Å; N156-P198 WeakPolarHBondContact CB-O 3.45Å; N156-W200 PolarHBondContact ND2-O 3.33Å; N156-L202 HydrophobicContact CB-CD2 4.05Å
157	M	95.3	Very high	95.9	Very high	27 Å²	27	32.3 Å²	32.3	13%	0.133	18%	0.182	C	C	.	.	H	α-helix	trans	-61.6	-35.9	-179.3	-67.9	-179.7	82.5	0	0	112	M160 V161 V194 F195 C197 P198 L199 R373	M157-M160 PolarHBondContact O-N 3.36Å; M157-V161 WeakPolarHBondContact O-CB 3.5Å; M157-V161 VanDerWaalsContact O-CG2 3.27Å; M157-V161 WeakPolarHBondContact O-CG2 3.11Å; M157-V161 PolarHBondContact O-N 3.46Å; M157-V194 HydrophobicContact CB-CG1 4.16Å; M157-V194 HydrophobicContact CE-CG1 3.61Å; M157-V194 HydrophobicContact CG-CG1 4.2Å; M157-V194 WeakPolarHBondContact CG-O 3.45Å; M157-F195 HydrophobicContact CE-CD1 4.45Å; M157-F195 HydrophobicContact CE-CE1 4.47Å; M157-C197 HydrophobicContact CG-CB 4.12Å; M157-C197 WeakPolarHBondContact CG-O 3.46Å; M157-P198 PolarHBondContact N-O 3.11Å; M157-L199 HydrophobicContact CB-CD1 4.09Å; M157-L199 HydrophobicContact CG-CD1 4.45Å; M157-L199 PolarHBondContact N-O 2.82Å; M157-L199 HydrophobicContact SD-CB 4.1Å; M157-L199 HydrophobicContact SD-CD1 3.78Å; M157-R373 PolarHBondContact SD-NH1 2.92Å
158	V	96.6	Very high	95.8	Very high	61 Å²	61	31.9 Å²	31.9	37%	0.37	18%	0.176	S	C	.	.	H	α-helix	trans	-59.2	-52.3	-179	-174.8	0	0	0	0	110.6	N156 M160 V161 T162 W200	N156-V158 VanDerWaalsContact C-N 3.25Å; N156-V158 PolarHBondContact O-N 2.87Å; N156-V158 PolarHBondContact OD1-N 3.48Å; V158-M160 VanDerWaalsContact C-N 3.33Å; V158-M160 PolarHBondContact O-N 2.97Å; V158-V161 PolarHBondContact O-N 2.77Å; V158-T162 PolarHBondContact O-N 3.27Å; V158-T162 PolarHBondContact O-OG1 3.24Å; V158-T162 VanDerWaalsContact O-OG1 3.06Å; V158-W200 HydrophobicContact CG2-CE3 3.98Å; V158-W200 HydrophobicContact CG2-CH2 4.47Å; V158-W200 HydrophobicContact CG2-CZ3 3.72Å
159	I	97.1	Very high	95.7	Very high	22 Å²	22	28.1 Å²	28.1	11%	0.113	16%	0.16	C	C	.	.	H	α-helix	trans	-58.3	-44.6	178.5	-67.3	168.5	0	0	0	111.3	L145 F148 V149 N156 T162 L163 L202	L145-I159 HydrophobicContact CB-CG2 4.34Å; L145-I159 HydrophobicContact CD2-CG1 4.49Å; L145-I159 HydrophobicContact CD2-CG2 4.36Å; F148-I159 HydrophobicContact CD1-CD1 4.26Å; F148-I159 HydrophobicContact CE1-CD1 4.06Å; V149-I159 HydrophobicContact CG2-CG2 3.65Å; N156-I159 PolarHBondContact O-N 2.88Å; N156-I159 WeakPolarHBondContact OD1-CG1 3.28Å; N156-I159 PolarHBondContact OD1-N 3.37Å; I159-T162 PolarHBondContact O-N 3.5Å; I159-L163 HydrophobicContact CG2-CD1 4.07Å; I159-L163 WeakPolarHBondContact O-CB 3.44Å; I159-L163 WeakPolarHBondContact O-CG 3.44Å; I159-L163 PolarHBondContact O-N 3.42Å; I159-L202 HydrophobicContact CD1-CD2 3.74Å
160	M	97.5	Very high	95.7	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-69.6	-34.9	-179.1	-62	-51.9	-60.5	0	0	112.8	L66 V69 Y73 V149 A155 N156 M157 V158 L163 W164 A193 V194	L66-M160 HydrophobicContact CD2-CE 4.33Å; L66-M160 HydrophobicContact CD2-SD 4.38Å; V69-M160 HydrophobicContact CG1-CE 3.85Å; Y73-M160 HydrophobicContact CE2-CE 4.34Å; V149-M160 HydrophobicContact CG2-SD 4.45Å; A155-M160 HydrophobicContact CB-CG 4.24Å; A155-M160 HydrophobicContact CB-SD 4.09Å; N156-M160 PolarHBondContact O-N 2.73Å; M157-M160 PolarHBondContact O-N 3.36Å; V158-M160 VanDerWaalsContact C-N 3.33Å; V158-M160 PolarHBondContact O-N 2.97Å; M160-L163 HydrophobicContact SD-CD1 4.13Å; M160-W164 WeakPolarHBondContact O-CB 3.14Å; M160-W164 PolarHBondContact O-N 2.86Å; M160-A193 HydrophobicContact CE-CB 3.8Å; M160-V194 HydrophobicContact CB-CB 4.37Å; M160-V194 HydrophobicContact CB-CG2 3.76Å
161	V	97.7	Very high	95.6	Very high	59 Å²	59	25.9 Å²	25.9	36%	0.358	15%	0.148	S	C	.	.	H	α-helix	trans	-68.8	-43.4	173.1	169.4	0	0	0	0	110.5	M157 V158 W164 V165 V194	M157-V161 WeakPolarHBondContact O-CB 3.5Å; M157-V161 VanDerWaalsContact O-CG2 3.27Å; M157-V161 WeakPolarHBondContact O-CG2 3.11Å; M157-V161 PolarHBondContact O-N 3.46Å; V158-V161 PolarHBondContact O-N 2.77Å; V161-W164 PolarHBondContact O-N 3.21Å; V161-V165 HydrophobicContact CG1-CG2 4.12Å; V161-V165 WeakPolarHBondContact O-CB 3.18Å; V161-V165 WeakPolarHBondContact O-CG2 3.43Å; V161-V165 PolarHBondContact O-N 2.8Å; V161-V194 HydrophobicContact CG2-CB 4.38Å; V161-V194 HydrophobicContact CG2-CG1 3.6Å; V161-V194 HydrophobicContact CG2-CG2 3.79Å
162	T	97.8	Very high	95.5	Very high	49 Å²	49	21.3 Å²	21.3	30%	0.301	12%	0.12	S	C	.	.	H	α-helix	trans	-60.7	-46.6	176	-59.3	0	0	0	0	111.1	L145 V158 I159 W164 V165 L166	L145-T162 HydrophobicContact CD1-CG2 3.53Å; V158-T162 PolarHBondContact O-N 3.27Å; V158-T162 PolarHBondContact O-OG1 3.24Å; V158-T162 VanDerWaalsContact O-OG1 3.06Å; I159-T162 PolarHBondContact O-N 3.5Å; T162-W164 VanDerWaalsContact C-N 3.33Å; T162-W164 PolarHBondContact O-N 2.92Å; T162-V165 PolarHBondContact O-N 2.94Å; T162-L166 HydrophobicContact CG2-CD1 3.82Å; T162-L166 HydrophobicContact CG2-CG 4.27Å; T162-L166 WeakPolarHBondContact O-CB 3.41Å; T162-L166 WeakPolarHBondContact O-CG 3.27Å; T162-L166 PolarHBondContact O-N 2.7Å
163	L	98.2	Very high	95.6	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-56.1	-46	173.5	-77.9	168.5	0	0	0	112.3	Y73 F77 G142 L145 I159 M160 Y167	Y73-L163 HydrophobicContact CD2-CB 4.2Å; Y73-L163 HydrophobicContact CD2-CD1 4.26Å; Y73-L163 HydrophobicContact CE2-CB 3.98Å; F77-L163 HydrophobicContact CD2-CD2 4.44Å; F77-L163 HydrophobicContact CE2-CD2 3.78Å; G142-L163 WeakPolarHBondContact O-CD2 3.3Å; L145-L163 HydrophobicContact CB-CD1 4.4Å; L145-L163 HydrophobicContact CB-CD2 3.78Å; L145-L163 HydrophobicContact CB-CG 3.99Å; I159-L163 HydrophobicContact CG2-CD1 4.07Å; I159-L163 WeakPolarHBondContact O-CB 3.44Å; I159-L163 WeakPolarHBondContact O-CG 3.44Å; I159-L163 PolarHBondContact O-N 3.42Å; M160-L163 HydrophobicContact SD-CD1 4.13Å; L163-Y167 WeakPolarHBondContact O-CB 3.46Å; L163-Y167 PolarHBondContact O-N 2.04Å
164	W	97.9	Very high	95.7	Very high	30 Å²	30	19.5 Å²	19.5	11%	0.114	11%	0.108	C	C	.	.	H	α-helix	trans	-64.5	-47.3	178.2	-177.7	80.2	0	0	0	112.5	Y73 M160 V161 T162 L166 Y167 H168 L187 F191 L409	Y73-W164 VanDerWaalsContact OH-CA 3.31Å; Y73-W164 WeakPolarHBondContact OH-CA 3.38Å; M160-W164 WeakPolarHBondContact O-CB 3.14Å; M160-W164 PolarHBondContact O-N 2.86Å; V161-W164 PolarHBondContact O-N 3.21Å; T162-W164 VanDerWaalsContact C-N 3.33Å; T162-W164 PolarHBondContact O-N 2.92Å; W164-L166 PolarHBondContact O-N 3.25Å; W164-Y167 PolarHBondContact O-N 3.45Å; W164-H168 AromaticContact CH2-CD2 3.99Å; W164-H168 AromaticContact CZ2-CD2 3.61Å; W164-H168 WeakPolarHBondContact O-CB 3.22Å; W164-H168 PolarHBondContact O-N 2.88Å; W164-L187 PolarHBondContact NE1-O 3.07Å; W164-F191 HydrophobicContact CZ2-CD2 4.44Å; W164-L409 HydrophobicContact CH2-CB 4.45Å; W164-L409 HydrophobicContact CH2-CD2 4.45Å
165	V	97.3	Very high	95.7	Very high	50 Å²	50	19.4 Å²	19.4	30%	0.303	11%	0.107	S	C	.	.	H	α-helix	trans	-62.8	-42.2	178.6	169.5	0	0	0	0	111.7	I122 V161 T162 S169	I122-V165 HydrophobicContact CG2-CG1 3.47Å; I122-V165 VanDerWaalsContact CG2-CG1 3.47Å; V161-V165 HydrophobicContact CG1-CG2 4.12Å; V161-V165 WeakPolarHBondContact O-CB 3.18Å; V161-V165 WeakPolarHBondContact O-CG2 3.43Å; V161-V165 PolarHBondContact O-N 2.8Å; T162-V165 PolarHBondContact O-N 2.94Å; V165-S169 VanDerWaalsContact O-CB 3.32Å; V165-S169 WeakPolarHBondContact O-CB 3.24Å; V165-S169 PolarHBondContact O-N 2.94Å; V165-S169 PolarHBondContact O-OG 3.08Å
166	L	97.7	Very high	95.7	Very high	8 Å²	8	22.6 Å²	22.6	4%	0.042	12%	0.123	C	C	.	.	H	α-helix	trans	-60.7	-45.4	175.3	-71.5	168.6	0	0	0	110.8	F77 I122 I138 L141 L145 T162 W164 S169 L170	F77-L166 HydrophobicContact CE1-CB 4.05Å; F77-L166 HydrophobicContact CZ-CB 3.8Å; I122-L166 HydrophobicContact CD1-CD2 3.84Å; I138-L166 HydrophobicContact CB-CD2 4.26Å; I138-L166 HydrophobicContact CG1-CD2 4.05Å; I138-L166 HydrophobicContact CG2-CB 4.21Å; I138-L166 HydrophobicContact CG2-CD2 3.93Å; L141-L166 HydrophobicContact CB-CD1 4.3Å; L141-L166 HydrophobicContact CD2-CD1 3.93Å; L141-L166 HydrophobicContact CD2-CD2 4.27Å; L141-L166 HydrophobicContact CG-CD1 3.87Å; L145-L166 HydrophobicContact CD1-CD1 4.35Å; T162-L166 HydrophobicContact CG2-CD1 3.82Å; T162-L166 HydrophobicContact CG2-CG 4.27Å; T162-L166 WeakPolarHBondContact O-CB 3.41Å; T162-L166 WeakPolarHBondContact O-CG 3.27Å; T162-L166 PolarHBondContact O-N 2.7Å; W164-L166 PolarHBondContact O-N 3.25Å; L166-S169 WeakPolarHBondContact O-CB 3.28Å; L166-S169 PolarHBondContact O-N 3.1Å; L166-L170 PolarHBondContact O-N 3.31Å
167	Y	97.6	Very high	95.7	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-70.3	-43.2	-179.9	-154.9	-100.9	0	0	0	112.7	Y73 A76 F77 L163 W164 S169 L170 V171 E183 L186 L187	Y73-Y167 HydrophobicContact CD1-CD2 4.29Å; Y73-Y167 HydrophobicContact CD1-CG 4.26Å; Y73-Y167 HydrophobicContact CE1-CD1 4.43Å; Y73-Y167 HydrophobicContact CE1-CD2 4.42Å; Y73-Y167 AromaticContact CE1-CG 3.93Å; Y73-Y167 HydrophobicContact CE1-CG 3.93Å; A76-Y167 HydrophobicContact CB-CE2 3.57Å; F77-Y167 HydrophobicContact CD1-CD2 4.22Å; F77-Y167 AromaticContact CE1-CD2 3.79Å; F77-Y167 HydrophobicContact CE1-CD2 3.79Å; F77-Y167 HydrophobicContact CE2-CD2 4.17Å; F77-Y167 AromaticContact CZ-CD2 3.76Å; F77-Y167 HydrophobicContact CZ-CD2 3.76Å; F77-Y167 HydrophobicContact CZ-CG 4.32Å; L163-Y167 WeakPolarHBondContact O-CB 3.46Å; L163-Y167 PolarHBondContact O-N 2.04Å; W164-Y167 PolarHBondContact O-N 3.45Å; Y167-S169 PolarHBondContact O-N 3Å; Y167-L170 PolarHBondContact O-N 3.18Å; Y167-L170 VanDerWaalsContact O-N 3.08Å; Y167-V171 HydrophobicContact CD1-CG2 3.58Å; Y167-V171 HydrophobicContact CE1-CG2 3.38Å; Y167-V171 WeakPolarHBondContact O-CG2 3.32Å; Y167-V171 PolarHBondContact O-N 2.93Å; Y167-E183 PolarHBondContact OH-OE2 2.87Å; Y167-L186 HydrophobicContact CD1-CD2 3.97Å; Y167-L186 HydrophobicContact CD1-CG 4.15Å; Y167-L186 HydrophobicContact CD2-CD2 4.43Å; Y167-L186 HydrophobicContact CE1-CB 4.22Å; Y167-L186 HydrophobicContact CE1-CD2 3.52Å; Y167-L186 HydrophobicContact CE1-CG 4.03Å; Y167-L186 HydrophobicContact CE2-CD2 4.04Å; Y167-L186 HydrophobicContact CG-CD2 4.4Å; Y167-L187 HydrophobicContact CD1-CD2 3.82Å; Y167-L187 HydrophobicContact CD1-CG 4.36Å
168	H	95.7	Very high	95.6	Very high	7 Å²	7	20.6 Å²	20.6	3%	0.032	11%	0.113	C	C	.	.	H	α-helix	trans	-57	-37.5	175.1	-163.2	-87.7	0	0	0	111.8	P120 W164 N172 L187 L409	P120-H168 PolarHBondContact O-ND1 3.08Å; W164-H168 AromaticContact CH2-CD2 3.99Å; W164-H168 AromaticContact CZ2-CD2 3.61Å; W164-H168 WeakPolarHBondContact O-CB 3.22Å; W164-H168 PolarHBondContact O-N 2.88Å; H168-N172 PolarHBondContact CE1-ND2 3Å; H168-N172 PolarHBondContact ND1-ND2 3.23Å; H168-N172 PolarHBondContact O-N 3.39Å; H168-N172 PolarHBondContact O-ND2 2.84Å; H168-N172 VanDerWaalsContact O-ND2 3.14Å; H168-L187 HydrophobicContact CB-CD2 3.8Å; H168-L409 WeakPolarHBondContact NE2-CA 3.45Å; H168-L409 PolarHBondContact NE2-O 3.29Å
169	S	95.6	Very high	95.3	Very high	2 Å²	2	21.1 Å²	21.1	1%	0.014	12%	0.12	C	C	.	.	H	α-helix	trans	-64.7	-40.4	176.2	-60.9	0	0	0	0	112.9	S121 I122 V165 L166 Y167 V173	S121-S169 WeakPolarHBondContact OG-CA 3.33Å; S121-S169 VanDerWaalsContact OG-CB 3.28Å; S121-S169 WeakPolarHBondContact OG-CB 3.43Å; S121-S169 PolarHBondContact OG-O 2.95Å; S121-S169 VanDerWaalsContact OG-O 3.06Å; I122-S169 PolarHBondContact N-OG 3.48Å; V165-S169 VanDerWaalsContact O-CB 3.32Å; V165-S169 WeakPolarHBondContact O-CB 3.24Å; V165-S169 PolarHBondContact O-N 2.94Å; V165-S169 PolarHBondContact O-OG 3.08Å; L166-S169 WeakPolarHBondContact O-CB 3.28Å; L166-S169 PolarHBondContact O-N 3.1Å; Y167-S169 PolarHBondContact O-N 3Å; S169-V173 WeakPolarHBondContact O-CG2 3.34Å
170	L	96	Very high	95	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-69.9	-47.9	174.7	-66	-178.8	0	0	0	111.9	F77 A80 L135 I138 L166 Y167 N172 V173 G174 Y178	F77-L170 HydrophobicContact CD1-CD1 4.05Å; F77-L170 HydrophobicContact CE1-CD1 3.97Å; A80-L170 HydrophobicContact CB-CD1 3.79Å; L135-L170 HydrophobicContact CD2-CD2 3.82Å; I138-L170 HydrophobicContact CG2-CD1 3.99Å; I138-L170 HydrophobicContact CG2-CD2 3.8Å; I138-L170 HydrophobicContact CG2-CG 3.76Å; L166-L170 PolarHBondContact O-N 3.31Å; Y167-L170 PolarHBondContact O-N 3.18Å; Y167-L170 VanDerWaalsContact O-N 3.08Å; L170-N172 PolarHBondContact O-N 2.94Å; L170-V173 PolarHBondContact O-N 3.34Å; L170-G174 WeakPolarHBondContact O-CA 3.31Å; L170-G174 PolarHBondContact O-N 2.73Å; L170-Y178 HydrophobicContact CB-CE1 4.26Å
171	V	95	Very high	94.6	Very high	3 Å²	3	21.2 Å²	21.2	2%	0.018	12%	0.122	C	C	.	.	H	α-helix	trans	-59.5	-34.7	-176.5	172.6	0	0	0	0	112.3	Y167 Y178 E183 L187	Y167-V171 HydrophobicContact CD1-CG2 3.58Å; Y167-V171 HydrophobicContact CE1-CG2 3.38Å; Y167-V171 WeakPolarHBondContact O-CG2 3.32Å; Y167-V171 PolarHBondContact O-N 2.93Å; V171-Y178 HydrophobicContact CB-CD1 4.49Å; V171-Y178 HydrophobicContact CG2-CD1 3.96Å; V171-E183 HydrophobicContact CG1-CB 4.25Å; V171-E183 HydrophobicContact CG2-CB 4.25Å; V171-L187 HydrophobicContact CB-CD1 4.07Å; V171-L187 HydrophobicContact CG1-CD1 3.83Å; V171-L187 HydrophobicContact CG2-CD1 4.2Å; V171-L187 HydrophobicContact CG2-CG 4.44Å
172	N	92.4	Very high	94.4	Very high	16 Å²	16	19.1 Å²	19.1	9%	0.086	11%	0.108	C	C	.	.	H	α-helix	trans	-84.5	-24.4	-179.5	-70.3	-41.8	0	0	0	114.8	Y99 T119 P120 H168 L170 R410	Y99-N172 WeakPolarHBondContact CE1-O 3.49Å; T119-N172 HydrophobicContact CG2-CB 3.94Å; P120-N172 PolarHBondContact O-ND2 2.73Å; P120-N172 VanDerWaalsContact O-ND2 3.14Å; H168-N172 PolarHBondContact CE1-ND2 3Å; H168-N172 PolarHBondContact ND1-ND2 3.23Å; H168-N172 PolarHBondContact O-N 3.39Å; H168-N172 PolarHBondContact O-ND2 2.84Å; H168-N172 VanDerWaalsContact O-ND2 3.14Å; L170-N172 PolarHBondContact O-N 2.94Å; N172-R410 PolarHBondContact OD1-NH2 3.43Å
173	V	93.6	Very high	94.2	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-92	-15.1	171.4	-54.8	0	0	0	0	113.3	I88 L100 T119 L123 S169 L170 Q175	I88-V173 HydrophobicContact CD1-CG2 4.32Å; L100-V173 HydrophobicContact CD1-CG1 4.49Å; L100-V173 HydrophobicContact CD2-CG1 3.96Å; L100-V173 HydrophobicContact CG-CG1 4.39Å; T119-V173 HydrophobicContact CG2-CG1 4.38Å; L123-V173 HydrophobicContact CD1-CB 4.34Å; L123-V173 HydrophobicContact CD1-CG1 3.88Å; L123-V173 HydrophobicContact CD1-CG2 3.69Å; S169-V173 WeakPolarHBondContact O-CG2 3.34Å; L170-V173 PolarHBondContact O-N 3.34Å; V173-Q175 PolarHBondContact O-N 3.33Å; V173-Q175 PolarHBondContact O-NE2 2.98Å; V173-Q175 VanDerWaalsContact O-NE2 3.12Å
174	G	92.1	Very high	93.9	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.096	C	C	.	.	S	Bend	trans	-67.6	-12.1	-175.9	0	0	0	0	0	115.5	L170 L176 W177 Y178	L170-G174 WeakPolarHBondContact O-CA 3.31Å; L170-G174 PolarHBondContact O-N 2.73Å; G174-L176 PolarHBondContact O-N 3.38Å; G174-W177 WeakPolarHBondContact O-CB 3.27Å; G174-W177 PolarHBondContact O-N 3.04Å; G174-W177 VanDerWaalsContact O-N 3.08Å; G174-Y178 VanDerWaalsContact CA-CD2 3.46Å
175	Q	92	Very high	93.8	Very high	54 Å²	54	15.8 Å²	15.8	25%	0.252	9%	0.091	S	C	.	.	G	3₁₀ helix	trans	51.1	-136.2	178.2	-61.9	153.1	87.7	0	0	110.9	M94 Y99 V173 W177 Y178 S179	M94-Q175 PolarHBondContact O-NE2 3.46Å; Y99-Q175 HydrophobicContact CD1-CG 4.15Å; Y99-Q175 HydrophobicContact CD2-CG 3.68Å; Y99-Q175 HydrophobicContact CE1-CG 4.47Å; Y99-Q175 HydrophobicContact CE2-CG 4.05Å; Y99-Q175 HydrophobicContact CG-CG 3.74Å; V173-Q175 PolarHBondContact O-N 3.33Å; V173-Q175 PolarHBondContact O-NE2 2.98Å; V173-Q175 VanDerWaalsContact O-NE2 3.12Å; Q175-W177 PolarHBondContact O-N 3.16Å; Q175-Y178 PolarHBondContact O-N 3.26Å; Q175-Y178 VanDerWaalsContact O-N 3.07Å; Q175-S179 PolarHBondContact O-N 2.73Å
176	L	91.4	Very high	93.8	Very high	71 Å²	71	13.4 Å²	13.4	37%	0.372	8%	0.076	S	C	.	.	G	3₁₀ helix	trans	-59.6	-27.4	179.2	-167.1	67.5	0	0	0	113.1	M94 G174 Y178 S179 L474	M94-L176 HydrophobicContact CE-CB 3.87Å; M94-L176 HydrophobicContact CE-CD2 4.27Å; G174-L176 PolarHBondContact O-N 3.38Å; L176-Y178 PolarHBondContact O-N 3.23Å; L176-S179 PolarHBondContact O-N 2.72Å; L176-S179 PolarHBondContact O-OG 3.02Å; L176-S179 VanDerWaalsContact O-OG 3.09Å; L176-L474 HydrophobicContact CB-CD1 4.3Å; L176-L474 HydrophobicContact CD2-CD1 3.72Å; L176-L474 HydrophobicContact CG-CD1 3.65Å; L176-L474 HydrophobicContact CG-CD2 4.42Å
177	W	94.6	Very high	93.7	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.074	C	C	.	.	G	3₁₀ helix	trans	-68.4	-13.2	177.1	-54.2	113	0	0	0	113.5	L87 I88 L93 M94 G174 Q175 F180 R470 L471 L474 W488	L87-W177 HydrophobicContact CB-CD2 4.05Å; L87-W177 HydrophobicContact CB-CG 4.02Å; L87-W177 HydrophobicContact CD1-CB 4.47Å; L87-W177 HydrophobicContact CD1-CD2 4.05Å; L87-W177 HydrophobicContact CD1-CE3 4.07Å; L87-W177 HydrophobicContact CD1-CG 4.25Å; L87-W177 HydrophobicContact CD2-CD2 3.83Å; L87-W177 HydrophobicContact CD2-CE3 3.82Å; L87-W177 HydrophobicContact CD2-CH2 3.76Å; L87-W177 HydrophobicContact CD2-CZ2 3.74Å; L87-W177 HydrophobicContact CD2-CZ3 3.78Å; L87-W177 HydrophobicContact CG-CD2 4.19Å; L87-W177 HydrophobicContact CG-CE3 4.43Å; L87-W177 PolarHBondContact O-NE1 2.99Å; I88-W177 VanDerWaalsContact CG2-CD1 3.45Å; I88-W177 HydrophobicContact CG2-CG 4.4Å; L93-W177 HydrophobicContact CB-CZ2 3.73Å; L93-W177 HydrophobicContact CD1-CH2 3.74Å; L93-W177 HydrophobicContact CD1-CZ2 3.58Å; L93-W177 HydrophobicContact CG-CZ2 4.31Å; M94-W177 HydrophobicContact CE-CD2 4.14Å; M94-W177 VanDerWaalsContact CE-CE2 3.42Å; M94-W177 HydrophobicContact CE-CG 4.39Å; M94-W177 HydrophobicContact CE-CZ2 3.67Å; M94-W177 VanDerWaalsContact CE-NE1 3.31Å; G174-W177 WeakPolarHBondContact O-CB 3.27Å; G174-W177 PolarHBondContact O-N 3.04Å; G174-W177 VanDerWaalsContact O-N 3.08Å; Q175-W177 PolarHBondContact O-N 3.16Å; W177-F180 VanDerWaalsContact O-CE2 3.3Å; W177-F180 WeakPolarHBondContact O-CE2 3.48Å; W177-R470 HydrophobicContact CE3-CB 4.14Å; W177-R470 WeakPolarHBondContact O-CD 3.39Å; W177-R470 PolarHBondContact O-NH1 3.19Å; W177-L471 HydrophobicContact CH2-CD1 3.74Å; W177-L471 HydrophobicContact CZ3-CD1 4.06Å; W177-L474 HydrophobicContact CD2-CD1 4.12Å; W177-L474 HydrophobicContact CE3-CD1 3.43Å; W177-L474 VanDerWaalsContact CE3-CD1 3.43Å; W177-L474 HydrophobicContact CE3-CG 4.03Å; W177-L474 HydrophobicContact CH2-CD1 4.16Å; W177-L474 HydrophobicContact CZ3-CB 4.09Å; W177-L474 HydrophobicContact CZ3-CD1 3.46Å; W177-L474 VanDerWaalsContact CZ3-CD1 3.46Å; W177-L474 HydrophobicContact CZ3-CG 3.93Å; W177-W488 HydrophobicContact CH2-CD2 4.26Å; W177-W488 AromaticContact CH2-CE3 3.76Å; W177-W488 HydrophobicContact CH2-CE3 3.76Å; W177-W488 HydrophobicContact CH2-CZ3 4.03Å; W177-W488 HydrophobicContact CZ2-CE3 4.34Å
178	Y	94.2	Very high	93.6	Very high	1 Å²	1	13 Å²	13	0%	0.004	7%	0.074	C	C	.	.	G	3₁₀ helix	trans	-129.3	24.5	179.1	-73.6	-106.1	0	0	0	112.1	A80 N84 I88 L170 V171 G174 Q175 L176 F180 E183	A80-Y178 WeakPolarHBondContact CB-OH 3.45Å; N84-Y178 PolarHBondContact ND2-OH 2.94Å; N84-Y178 PolarHBondContact OD1-OH 3.3Å; I88-Y178 HydrophobicContact CD1-CE2 4.49Å; L170-Y178 HydrophobicContact CB-CE1 4.26Å; V171-Y178 HydrophobicContact CB-CD1 4.49Å; V171-Y178 HydrophobicContact CG2-CD1 3.96Å; G174-Y178 VanDerWaalsContact CA-CD2 3.46Å; Q175-Y178 PolarHBondContact O-N 3.26Å; Q175-Y178 VanDerWaalsContact O-N 3.07Å; L176-Y178 PolarHBondContact O-N 3.23Å; Y178-F180 VanDerWaalsContact C-N 3.28Å; Y178-F180 PolarHBondContact O-N 3.4Å; Y178-E183 VanDerWaalsContact CD1-OE2 3.29Å; Y178-E183 WeakPolarHBondContact CD1-OE2 3.29Å
179	S	90	Very high	93.7	Very high	72 Å²	72	12.7 Å²	12.7	50%	0.503	7%	0.073	S	C	.	.			trans	-85.7	14	179.4	69.4	0	0	0	0	114.6	Q175 L176	Q175-S179 PolarHBondContact O-N 2.73Å; L176-S179 PolarHBondContact O-N 2.72Å; L176-S179 PolarHBondContact O-OG 3.02Å; L176-S179 VanDerWaalsContact O-OG 3.09Å
180	F	90.4	Very high	93.8	Very high	13 Å²	13	12.6 Å²	12.6	6%	0.057	7%	0.072	C	C	.	.	S	Bend	trans	-90.1	149.4	-173.6	-48.7	-84.7	0	0	0	112.8	W177 Y178 W182 E183 H468 W473 L474 F477	W177-F180 VanDerWaalsContact O-CE2 3.3Å; W177-F180 WeakPolarHBondContact O-CE2 3.48Å; Y178-F180 VanDerWaalsContact C-N 3.28Å; Y178-F180 PolarHBondContact O-N 3.4Å; F180-W182 VanDerWaalsContact C-N 3.29Å; F180-W182 HydrophobicContact CB-CD2 3.77Å; F180-W182 HydrophobicContact CB-CE3 4.15Å; F180-W182 HydrophobicContact CB-CG 4.4Å; F180-W182 HydrophobicContact CB-CH2 3.75Å; F180-W182 HydrophobicContact CB-CZ2 3.31Å; F180-W182 HydrophobicContact CB-CZ3 4.14Å; F180-W182 AromaticContact CD1-CH2 3.58Å; F180-W182 HydrophobicContact CD1-CH2 3.58Å; F180-W182 AromaticContact CD1-CZ2 3.53Å; F180-W182 HydrophobicContact CD1-CZ2 3.53Å; F180-W182 AromaticContact CD2-CZ2 3.79Å; F180-W182 HydrophobicContact CD2-CZ2 3.79Å; F180-W182 HydrophobicContact CE1-CH2 4.32Å; F180-W182 HydrophobicContact CE1-CZ2 4.22Å; F180-W182 HydrophobicContact CE2-CZ2 4.45Å; F180-W182 AromaticContact CG-CE2 3.75Å; F180-W182 AromaticContact CG-CH2 3.77Å; F180-W182 HydrophobicContact CG-CH2 3.77Å; F180-W182 AromaticContact CG-CZ2 3.27Å; F180-W182 HydrophobicContact CG-CZ2 3.27Å; F180-W182 PolarHBondContact O-N 3.22Å; F180-E183 HydrophobicContact CB-CG 3.97Å; F180-E183 HydrophobicContact CD2-CG 4.3Å; F180-E183 VanDerWaalsContact O-CB 3.27Å; F180-E183 WeakPolarHBondContact O-CB 3.35Å; F180-E183 VanDerWaalsContact O-CG 3.3Å; F180-E183 WeakPolarHBondContact O-CG 3.4Å; F180-E183 PolarHBondContact O-N 2.83Å; F180-H468 AromaticContact CD2-CE1 3.89Å; F180-H468 AromaticContact CE2-CE1 3.56Å; F180-H468 AromaticContact CZ-CE1 3.95Å; F180-W473 AromaticContact CE1-CD1 3.51Å; F180-W473 HydrophobicContact CE1-CG 4.13Å; F180-W473 AromaticContact CE1-NE1 3.93Å; F180-W473 HydrophobicContact CZ-CG 4.48Å; F180-L474 HydrophobicContact CE1-CD2 3.81Å; F180-L474 HydrophobicContact CZ-CD2 3.52Å; F180-L474 HydrophobicContact CZ-CG 4.14Å; F180-F477 HydrophobicContact CE1-CE2 4.07Å
181	G	89.8	Confident	93.8	Very high	10 Å²	10	14 Å²	14	10%	0.103	8%	0.078	C	C	.	.	H	α-helix	trans	-59.6	-33.2	-175.3	0	0	0	0	0	114.9	E183 S184 Q185	G181-E183 VanDerWaalsContact C-N 3.25Å; G181-E183 PolarHBondContact O-N 3.12Å; G181-S184 PolarHBondContact O-N 3.14Å; G181-Q185 PolarHBondContact O-N 3.07Å
182	W	91.9	Very high	93.9	Very high	15 Å²	15	13.9 Å²	13.9	6%	0.057	8%	0.077	C	C	.	.	H	α-helix	trans	-68.8	-20.6	176.7	54.6	76.3	0	0	0	113.6	F180 Q185 L186 F319 L320 L323 H468 W473	F180-W182 VanDerWaalsContact C-N 3.29Å; F180-W182 HydrophobicContact CB-CD2 3.77Å; F180-W182 HydrophobicContact CB-CE3 4.15Å; F180-W182 HydrophobicContact CB-CG 4.4Å; F180-W182 HydrophobicContact CB-CH2 3.75Å; F180-W182 HydrophobicContact CB-CZ2 3.31Å; F180-W182 HydrophobicContact CB-CZ3 4.14Å; F180-W182 AromaticContact CD1-CH2 3.58Å; F180-W182 HydrophobicContact CD1-CH2 3.58Å; F180-W182 AromaticContact CD1-CZ2 3.53Å; F180-W182 HydrophobicContact CD1-CZ2 3.53Å; F180-W182 AromaticContact CD2-CZ2 3.79Å; F180-W182 HydrophobicContact CD2-CZ2 3.79Å; F180-W182 HydrophobicContact CE1-CH2 4.32Å; F180-W182 HydrophobicContact CE1-CZ2 4.22Å; F180-W182 HydrophobicContact CE2-CZ2 4.45Å; F180-W182 AromaticContact CG-CE2 3.75Å; F180-W182 AromaticContact CG-CH2 3.77Å; F180-W182 HydrophobicContact CG-CH2 3.77Å; F180-W182 AromaticContact CG-CZ2 3.27Å; F180-W182 HydrophobicContact CG-CZ2 3.27Å; F180-W182 PolarHBondContact O-N 3.22Å; W182-Q185 PolarHBondContact O-N 3.43Å; W182-L186 WeakPolarHBondContact O-CB 3.33Å; W182-L186 PolarHBondContact O-N 3.05Å; W182-F319 HydrophobicContact CB-CD2 4.35Å; W182-F319 HydrophobicContact CB-CE2 4.06Å; W182-F319 AromaticContact CD1-CE2 3.49Å; W182-F319 VanDerWaalsContact CD1-CE2 3.49Å; W182-F319 AromaticContact CD1-CZ 3.42Å; W182-F319 VanDerWaalsContact CD1-CZ 3.42Å; W182-F319 HydrophobicContact CG-CD2 4.47Å; W182-F319 HydrophobicContact CG-CE2 4.06Å; W182-F319 HydrophobicContact CG-CZ 4.37Å; W182-L320 HydrophobicContact CB-CB 4.18Å; W182-L320 HydrophobicContact CB-CD1 3.89Å; W182-L320 HydrophobicContact CD2-CB 4.44Å; W182-L320 HydrophobicContact CE3-CB 3.94Å; W182-L320 HydrophobicContact CE3-CD1 4.34Å; W182-L320 HydrophobicContact CE3-CD2 4.23Å; W182-L320 HydrophobicContact CE3-CG 4.4Å; W182-L323 HydrophobicContact CB-CD2 4.3Å; W182-L323 WeakPolarHBondContact O-CD2 3.3Å; W182-H468 AromaticContact CZ2-CE1 3.54Å; W182-H468 AromaticContact CZ2-NE2 3.72Å; W182-W473 HydrophobicContact CH2-CD2 4.15Å; W182-W473 AromaticContact CH2-CE2 3.61Å; W182-W473 AromaticContact CH2-CH2 3.91Å; W182-W473 HydrophobicContact CH2-CH2 3.91Å; W182-W473 AromaticContact CH2-CZ2 3.46Å; W182-W473 HydrophobicContact CH2-CZ2 3.46Å; W182-W473 VanDerWaalsContact CH2-CZ2 3.46Å; W182-W473 HydrophobicContact CH2-CZ3 4.41Å; W182-W473 HydrophobicContact CZ3-CH2 4.2Å; W182-W473 AromaticContact CZ3-CZ2 3.84Å; W182-W473 HydrophobicContact CZ3-CZ2 3.84Å
183	E	94.4	Very high	94.1	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-69.3	-50.7	176.7	-49	-71.7	163.6	0	0	109.3	Y167 V171 Y178 F180 G181 Q185 L186 L187 R470	Y167-E183 PolarHBondContact OH-OE2 2.87Å; V171-E183 HydrophobicContact CG1-CB 4.25Å; V171-E183 HydrophobicContact CG2-CB 4.25Å; Y178-E183 VanDerWaalsContact CD1-OE2 3.29Å; Y178-E183 WeakPolarHBondContact CD1-OE2 3.29Å; F180-E183 HydrophobicContact CB-CG 3.97Å; F180-E183 HydrophobicContact CD2-CG 4.3Å; F180-E183 VanDerWaalsContact O-CB 3.27Å; F180-E183 WeakPolarHBondContact O-CB 3.35Å; F180-E183 VanDerWaalsContact O-CG 3.3Å; F180-E183 WeakPolarHBondContact O-CG 3.4Å; F180-E183 PolarHBondContact O-N 2.83Å; G181-E183 VanDerWaalsContact C-N 3.25Å; G181-E183 PolarHBondContact O-N 3.12Å; E183-Q185 VanDerWaalsContact C-N 3.32Å; E183-Q185 PolarHBondContact O-N 2.87Å; E183-L186 PolarHBondContact O-N 3.33Å; E183-L187 WeakPolarHBondContact O-CG 3.42Å; E183-L187 PolarHBondContact O-N 3.24Å; E183-L187 VanDerWaalsContact O-N 3.17Å; E183-R470 IonicContact OE1-CZ 3.2Å; E183-R470 IonicContact OE1-NH1 2.67Å; E183-R470 PolarHBondContact OE1-NH1 3.28Å; E183-R470 IonicContact OE1-NH2 2.73Å; E183-R470 PolarHBondContact OE1-NH2 3.13Å; E183-R470 IonicContact OE2-NH2 3.76Å; E183-R470 PolarHBondContact OE2-NH2 2.92Å
184	S	92.7	Very high	94.3	Very high	8 Å²	8	13.4 Å²	13.4	6%	0.056	8%	0.075	C	C	.	.	H	α-helix	trans	-64.5	-34.1	171.9	-61.8	0	0	0	0	112.2	G181 L186 L187 E188 R410	G181-S184 PolarHBondContact O-N 3.14Å; S184-L186 VanDerWaalsContact C-N 3.34Å; S184-L186 PolarHBondContact O-N 2.92Å; S184-L187 PolarHBondContact O-N 3.27Å; S184-E188 PolarHBondContact O-N 3.22Å; S184-R410 VanDerWaalsContact OG-CD 3.28Å; S184-R410 WeakPolarHBondContact OG-CD 3.26Å; S184-R410 PolarHBondContact OG-NH1 2.91Å
185	Q	94.9	Very high	94.4	Very high	1 Å²	1	14.9 Å²	14.9	1%	0.005	8%	0.082	C	C	.	.	H	α-helix	trans	-63.6	-37	173.2	-167	-178.4	-15.9	0	0	112.7	G181 W182 E183 T189 I226 L320 L323 T324 Y415	G181-Q185 PolarHBondContact O-N 3.07Å; W182-Q185 PolarHBondContact O-N 3.43Å; E183-Q185 VanDerWaalsContact C-N 3.32Å; E183-Q185 PolarHBondContact O-N 2.87Å; Q185-T189 VanDerWaalsContact O-CB 3.23Å; Q185-T189 WeakPolarHBondContact O-CB 3.29Å; Q185-T189 PolarHBondContact O-N 2.92Å; Q185-T189 PolarHBondContact O-OG1 3.01Å; Q185-I226 HydrophobicContact CG-CD1 4.3Å; Q185-I226 VanDerWaalsContact NE2-CD1 3.34Å; Q185-L320 VanDerWaalsContact OE1-CD1 3.27Å; Q185-L323 HydrophobicContact CB-CD2 3.73Å; Q185-L323 HydrophobicContact CB-CG 4.44Å; Q185-L323 HydrophobicContact CG-CD2 3.76Å; Q185-L323 HydrophobicContact CG-CG 3.92Å; Q185-T324 PolarHBondContact NE2-OG1 2.95Å; Q185-Y415 WeakPolarHBondContact CA-OH 3.46Å; Q185-Y415 HydrophobicContact CB-CD1 4.35Å; Q185-Y415 HydrophobicContact CB-CE1 3.57Å; Q185-Y415 HydrophobicContact CG-CE1 4.02Å
186	L	96.6	Very high	94.5	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-72.3	-36.3	179	-179.7	54.1	0	0	0	110.9	I72 Y73 A76 Y167 W182 E183 S184 G190 F319 L323	I72-L186 HydrophobicContact CB-CD1 4.24Å; I72-L186 HydrophobicContact CG2-CD1 3.97Å; I72-L186 HydrophobicContact CG2-CD2 4.1Å; Y73-L186 HydrophobicContact CD1-CD1 3.98Å; Y73-L186 HydrophobicContact CD1-CD2 4.02Å; Y73-L186 HydrophobicContact CD1-CG 4.1Å; Y73-L186 HydrophobicContact CE1-CD1 3.94Å; Y73-L186 HydrophobicContact CE1-CD2 4.24Å; Y73-L186 HydrophobicContact CE1-CG 3.89Å; Y73-L186 HydrophobicContact CG-CD1 4.34Å; A76-L186 HydrophobicContact CB-CD2 3.73Å; Y167-L186 HydrophobicContact CD1-CD2 3.97Å; Y167-L186 HydrophobicContact CD1-CG 4.15Å; Y167-L186 HydrophobicContact CD2-CD2 4.43Å; Y167-L186 HydrophobicContact CE1-CB 4.22Å; Y167-L186 HydrophobicContact CE1-CD2 3.52Å; Y167-L186 HydrophobicContact CE1-CG 4.03Å; Y167-L186 HydrophobicContact CE2-CD2 4.04Å; Y167-L186 HydrophobicContact CG-CD2 4.4Å; W182-L186 WeakPolarHBondContact O-CB 3.33Å; W182-L186 PolarHBondContact O-N 3.05Å; E183-L186 PolarHBondContact O-N 3.33Å; S184-L186 VanDerWaalsContact C-N 3.34Å; S184-L186 PolarHBondContact O-N 2.92Å; L186-G190 WeakPolarHBondContact O-CA 3.25Å; L186-G190 PolarHBondContact O-N 2.83Å; L186-F319 HydrophobicContact CD2-CE2 4.11Å; L186-F319 HydrophobicContact CD2-CZ 4.37Å; L186-L323 HydrophobicContact CB-CD2 3.88Å; L186-L323 HydrophobicContact CD1-CD1 4.11Å
187	L	96.1	Very high	94.5	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-62.5	-48.2	171.9	-65.5	176.3	0	0	0	112.2	W164 Y167 H168 V171 E183 S184 G190 F191 R410	W164-L187 PolarHBondContact NE1-O 3.07Å; Y167-L187 HydrophobicContact CD1-CD2 3.82Å; Y167-L187 HydrophobicContact CD1-CG 4.36Å; H168-L187 HydrophobicContact CB-CD2 3.8Å; V171-L187 HydrophobicContact CB-CD1 4.07Å; V171-L187 HydrophobicContact CG1-CD1 3.83Å; V171-L187 HydrophobicContact CG2-CD1 4.2Å; V171-L187 HydrophobicContact CG2-CG 4.44Å; E183-L187 WeakPolarHBondContact O-CG 3.42Å; E183-L187 PolarHBondContact O-N 3.24Å; E183-L187 VanDerWaalsContact O-N 3.17Å; S184-L187 PolarHBondContact O-N 3.27Å; L187-G190 PolarHBondContact O-N 3.36Å; L187-F191 WeakPolarHBondContact O-CB 3.46Å; L187-F191 PolarHBondContact O-N 2.9Å; L187-R410 HydrophobicContact CD1-CB 4.31Å; L187-R410 HydrophobicContact CD1-CG 4.42Å
188	E	96.4	Very high	94.4	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-64.3	-49.3	177.2	173.7	160.8	177.2	0	0	111.8	S184 G190 F191 L192 L222 R225 I411 V412 N413 Y415	S184-E188 PolarHBondContact O-N 3.22Å; E188-G190 VanDerWaalsContact C-N 3.29Å; E188-G190 PolarHBondContact O-N 2.71Å; E188-F191 PolarHBondContact O-N 2.92Å; E188-L192 WeakPolarHBondContact O-CG 3.28Å; E188-L192 PolarHBondContact O-N 3.11Å; E188-L222 HydrophobicContact CG-CD1 4.15Å; E188-L222 HydrophobicContact CG-CD2 4.38Å; E188-R225 IonicContact OE1-CZ 3.15Å; E188-R225 IonicContact OE1-NH1 3.41Å; E188-R225 PolarHBondContact OE1-NH1 3.37Å; E188-R225 IonicContact OE1-NH2 2.64Å; E188-R225 PolarHBondContact OE1-NH2 3.27Å; E188-R225 IonicContact OE2-NH1 2.72Å; E188-R225 PolarHBondContact OE2-NH1 2.95Å; E188-I411 WeakPolarHBondContact CG-O 3.5Å; E188-V412 WeakPolarHBondContact OE2-CA 3.3Å; E188-N413 PolarHBondContact OE2-N 2.93Å; E188-N413 PolarHBondContact OE2-ND2 3.43Å; E188-Y415 PolarHBondContact OE2-OH 3.34Å
189	T	97.1	Very high	94.1	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-61.1	-40	178.7	-51.2	0	0	0	0	111.5	V69 Q185 L192 A193 F219 L222 L323 V326	V69-T189 HydrophobicContact CG2-CG2 3.96Å; Q185-T189 VanDerWaalsContact O-CB 3.23Å; Q185-T189 WeakPolarHBondContact O-CB 3.29Å; Q185-T189 PolarHBondContact O-N 2.92Å; Q185-T189 PolarHBondContact O-OG1 3.01Å; T189-L192 PolarHBondContact O-N 2.58Å; T189-A193 WeakPolarHBondContact O-CB 3.5Å; T189-A193 PolarHBondContact O-N 3.06Å; T189-F219 HydrophobicContact CG2-CE1 3.82Å; T189-L222 HydrophobicContact CG2-CD2 4.47Å; T189-L222 WeakPolarHBondContact OG1-CD2 3.3Å; T189-L323 HydrophobicContact CG2-CD1 4.1Å; T189-V326 HydrophobicContact CG2-CB 4.27Å; T189-V326 HydrophobicContact CG2-CG1 3.75Å
190	G	97.2	Very high	94.1	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-66.8	-42.9	177.3	0	0	0	0	0	113.1	Y73 L186 L187 E188 A193 V194	Y73-G190 WeakPolarHBondContact OH-CA 3.45Å; L186-G190 WeakPolarHBondContact O-CA 3.25Å; L186-G190 PolarHBondContact O-N 2.83Å; L187-G190 PolarHBondContact O-N 3.36Å; E188-G190 VanDerWaalsContact C-N 3.29Å; E188-G190 PolarHBondContact O-N 2.71Å; G190-A193 WeakPolarHBondContact O-CB 3.32Å; G190-A193 PolarHBondContact O-N 3.49Å; G190-V194 PolarHBondContact O-N 2.99Å
191	F	97.2	Very high	94	Very high	30 Å²	30	21.8 Å²	21.8	13%	0.132	10%	0.104	C	C	.	.	H	α-helix	trans	-59.8	-46.8	173.5	177.9	-97.7	0	0	0	111.2	W164 L187 E188 A193 V194 F195 L380 L383 I384 I411	W164-F191 HydrophobicContact CZ2-CD2 4.44Å; L187-F191 WeakPolarHBondContact O-CB 3.46Å; L187-F191 PolarHBondContact O-N 2.9Å; E188-F191 PolarHBondContact O-N 2.92Å; F191-A193 VanDerWaalsContact C-N 3.27Å; F191-A193 PolarHBondContact O-N 3.34Å; F191-V194 WeakPolarHBondContact O-CB 3.38Å; F191-V194 PolarHBondContact O-N 3.49Å; F191-F195 HydrophobicContact CD1-CE2 4.27Å; F191-F195 HydrophobicContact CD2-CE2 4.43Å; F191-F195 AromaticContact CE1-CE2 3.81Å; F191-F195 HydrophobicContact CE1-CE2 3.81Å; F191-F195 AromaticContact CE2-CE2 3.99Å; F191-F195 HydrophobicContact CE2-CE2 3.99Å; F191-F195 HydrophobicContact CE2-CZ 4.46Å; F191-F195 AromaticContact CZ-CE2 3.66Å; F191-F195 HydrophobicContact CZ-CE2 3.66Å; F191-F195 HydrophobicContact CZ-CZ 4.08Å; F191-F195 VanDerWaalsContact O-CD2 3.31Å; F191-F195 WeakPolarHBondContact O-CD2 3.45Å; F191-L380 HydrophobicContact CE1-CD1 3.78Å; F191-L380 HydrophobicContact CZ-CD1 4.4Å; F191-L383 HydrophobicContact CZ-CD2 4.38Å; F191-I384 HydrophobicContact CE1-CD1 4.48Å; F191-I411 HydrophobicContact CD1-CG2 3.74Å; F191-I411 HydrophobicContact CD2-CG1 4.46Å; F191-I411 HydrophobicContact CE1-CG2 3.6Å; F191-I411 HydrophobicContact CE2-CD1 4.11Å; F191-I411 HydrophobicContact CG-CG1 4.47Å; F191-I411 HydrophobicContact CG-CG2 4.44Å; F191-I411 HydrophobicContact CZ-CD1 4.11Å; F191-I411 HydrophobicContact CZ-CG2 4.21Å
192	L	96.9	Very high	94	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-61.7	-34.5	176	-64.8	-174.7	0	0	0	112.6	E188 T189 V194 F195 T218 F219 L222 I384	E188-L192 WeakPolarHBondContact O-CG 3.28Å; E188-L192 PolarHBondContact O-N 3.11Å; T189-L192 PolarHBondContact O-N 2.58Å; L192-V194 VanDerWaalsContact C-N 3.32Å; L192-V194 PolarHBondContact O-N 2.93Å; L192-F195 PolarHBondContact O-N 2.87Å; L192-T218 HydrophobicContact CD2-CG2 4.23Å; L192-F219 HydrophobicContact CB-CD2 4.27Å; L192-F219 HydrophobicContact CB-CE1 4.23Å; L192-F219 HydrophobicContact CB-CE2 3.66Å; L192-F219 HydrophobicContact CB-CZ 3.65Å; L192-L222 HydrophobicContact CD1-CB 4.36Å; L192-L222 HydrophobicContact CD1-CD2 4.06Å; L192-I384 HydrophobicContact CD2-CD1 3.91Å; L192-I384 HydrophobicContact CD2-CG1 4.2Å
193	A	96.8	Very high	93.8	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-65.5	-31.2	179.6	0	0	0	0	0	113.4	L66 V69 M160 T189 G190 F191 F195 L196 F219	L66-A193 HydrophobicContact CD2-CB 4.25Å; V69-A193 HydrophobicContact CB-CB 4.42Å; V69-A193 HydrophobicContact CG1-CB 4.03Å; V69-A193 HydrophobicContact CG2-CB 4.06Å; M160-A193 HydrophobicContact CE-CB 3.8Å; T189-A193 WeakPolarHBondContact O-CB 3.5Å; T189-A193 PolarHBondContact O-N 3.06Å; G190-A193 WeakPolarHBondContact O-CB 3.32Å; G190-A193 PolarHBondContact O-N 3.49Å; F191-A193 VanDerWaalsContact C-N 3.27Å; F191-A193 PolarHBondContact O-N 3.34Å; A193-F195 PolarHBondContact O-N 3.36Å; A193-L196 WeakPolarHBondContact O-CB 3.3Å; A193-L196 PolarHBondContact O-N 2.99Å; A193-F219 HydrophobicContact CB-CZ 4.19Å
194	V	96.7	Very high	93.4	Very high	6 Å²	6	29 Å²	29	4%	0.036	14%	0.143	C	C	.	.	H	α-helix	trans	-51.9	-42	172	175.3	0	0	0	0	111	M157 M160 V161 G190 F191 L192 L196 C197	M157-V194 HydrophobicContact CB-CG1 4.16Å; M157-V194 HydrophobicContact CE-CG1 3.61Å; M157-V194 HydrophobicContact CG-CG1 4.2Å; M157-V194 WeakPolarHBondContact CG-O 3.45Å; M160-V194 HydrophobicContact CB-CB 4.37Å; M160-V194 HydrophobicContact CB-CG2 3.76Å; V161-V194 HydrophobicContact CG2-CB 4.38Å; V161-V194 HydrophobicContact CG2-CG1 3.6Å; V161-V194 HydrophobicContact CG2-CG2 3.79Å; G190-V194 PolarHBondContact O-N 2.99Å; F191-V194 WeakPolarHBondContact O-CB 3.38Å; F191-V194 PolarHBondContact O-N 3.49Å; L192-V194 VanDerWaalsContact C-N 3.32Å; L192-V194 PolarHBondContact O-N 2.93Å; V194-L196 VanDerWaalsContact C-N 3.26Å; V194-L196 PolarHBondContact O-N 3.39Å; V194-C197 PolarHBondContact O-N 3.04Å
195	F	95.3	Very high	93.3	Very high	32 Å²	32	29.4 Å²	29.4	14%	0.14	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	0.2	-176.1	-61.3	-90.1	0	0	0	114.3	M157 F191 L192 A193 C215 R373 V376 L380	M157-F195 HydrophobicContact CE-CD1 4.45Å; M157-F195 HydrophobicContact CE-CE1 4.47Å; F191-F195 HydrophobicContact CD1-CE2 4.27Å; F191-F195 HydrophobicContact CD2-CE2 4.43Å; F191-F195 AromaticContact CE1-CE2 3.81Å; F191-F195 HydrophobicContact CE1-CE2 3.81Å; F191-F195 AromaticContact CE2-CE2 3.99Å; F191-F195 HydrophobicContact CE2-CE2 3.99Å; F191-F195 HydrophobicContact CE2-CZ 4.46Å; F191-F195 AromaticContact CZ-CE2 3.66Å; F191-F195 HydrophobicContact CZ-CE2 3.66Å; F191-F195 HydrophobicContact CZ-CZ 4.08Å; F191-F195 VanDerWaalsContact O-CD2 3.31Å; F191-F195 WeakPolarHBondContact O-CD2 3.45Å; L192-F195 PolarHBondContact O-N 2.87Å; A193-F195 PolarHBondContact O-N 3.36Å; F195-C215 PolarHBondContact O-SG 3.47Å; F195-C215 VanDerWaalsContact O-SG 3.33Å; F195-R373 PolarHBondContact O-NH2 3.28Å; F195-V376 HydrophobicContact CD1-CG1 4.19Å; F195-V376 HydrophobicContact CE1-CG1 3.99Å; F195-L380 HydrophobicContact CB-CD2 3.56Å; F195-L380 HydrophobicContact CD1-CB 4.47Å; F195-L380 HydrophobicContact CD1-CD1 4.49Å; F195-L380 HydrophobicContact CD1-CD2 4.01Å; F195-L380 HydrophobicContact CD2-CD1 3.83Å; F195-L380 HydrophobicContact CD2-CD2 3.86Å; F195-L380 HydrophobicContact CD2-CG 4.44Å; F195-L380 HydrophobicContact CE1-CD1 4.43Å; F195-L380 HydrophobicContact CE2-CD1 3.79Å; F195-L380 HydrophobicContact CG-CD1 4.21Å; F195-L380 HydrophobicContact CG-CD2 3.54Å; F195-L380 HydrophobicContact CG-CG 4.36Å; F195-L380 HydrophobicContact CZ-CD1 4.1Å
196	L	93	Very high	92.9	Very high	4 Å²	4	29.6 Å²	29.6	2%	0.021	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-25.2	165	-59.8	178.9	0	0	0	112.5	R62 L65 L66 A193 V194 C215 F219	R62-L196 WeakPolarHBondContact CD-O 3.26Å; R62-L196 HydrophobicContact CG-CB 4.06Å; L65-L196 HydrophobicContact CB-CD1 3.87Å; L65-L196 HydrophobicContact CD1-CD1 4.01Å; L66-L196 HydrophobicContact CD2-CB 4.23Å; L66-L196 HydrophobicContact CD2-CD1 4.22Å; L66-L196 HydrophobicContact CG-CB 4.5Å; L66-L196 HydrophobicContact CG-CD1 4.35Å; A193-L196 WeakPolarHBondContact O-CB 3.3Å; A193-L196 PolarHBondContact O-N 2.99Å; V194-L196 VanDerWaalsContact C-N 3.26Å; V194-L196 PolarHBondContact O-N 3.39Å; L196-C215 HydrophobicContact CD2-CB 3.9Å; L196-F219 HydrophobicContact CD1-CE2 3.7Å; L196-F219 HydrophobicContact CD1-CZ 3.99Å; L196-F219 HydrophobicContact CD2-CE2 4.11Å; L196-F219 HydrophobicContact CG-CE2 3.91Å
197	C	92.9	Very high	92.1	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.172	C	C	.	.	S	Bend	trans	-88.8	149.4	-170.5	-66	0	0	0	0	114.2	M157 V194 R373	M157-C197 HydrophobicContact CG-CB 4.12Å; M157-C197 WeakPolarHBondContact CG-O 3.46Å; V194-C197 PolarHBondContact O-N 3.04Å; C197-R373 PolarHBondContact O-NH1 3.26Å; C197-R373 PolarHBondContact O-NH2 3.08Å
198	P	91.1	Very high	91.4	Very high	9 Å²	9	36.5 Å²	36.5	6%	0.058	20%	0.195	C	C	.	.			trans	-65.1	154.3	162.3	33.6	-38.8	0	0	0	110.4	N156 M157 T201 P206 C209	N156-P198 CarbonylContact C-O 3.54Å; N156-P198 VanDerWaalsContact CA-O 3.23Å; N156-P198 WeakPolarHBondContact CA-O 3.32Å; N156-P198 WeakPolarHBondContact CB-O 3.45Å; M157-P198 PolarHBondContact N-O 3.11Å; P198-T201 WeakPolarHBondContact CG-O 3.48Å; P198-P206 HydrophobicContact CB-CB 4.48Å; P198-P206 HydrophobicContact CB-CG 4.39Å; P198-P206 HydrophobicContact CG-CB 4.36Å; P198-P206 HydrophobicContact CG-CG 3.96Å; P198-C209 HydrophobicContact CB-CB 4Å
199	L	89.6	Confident	90.8	Very high	89 Å²	89	37.2 Å²	37.2	47%	0.466	20%	0.2	S	C	.	.	S	Bend	trans	-62.1	-52.5	-176.8	-178	59	0	0	0	112.6	M157	M157-L199 HydrophobicContact CB-CD1 4.09Å; M157-L199 HydrophobicContact CG-CD1 4.45Å; M157-L199 PolarHBondContact N-O 2.82Å; M157-L199 HydrophobicContact SD-CB 4.1Å; M157-L199 HydrophobicContact SD-CD1 3.78Å
200	W	89.1	Confident	90.3	Very high	184 Å²	184	39.9 Å²	39.9	70%	0.697	22%	0.217	S	C	*	.	S	Bend	trans	-114	-40.9	-174.7	-58.9	115.7	0	0	0	114	N156 V158 L202	N156-W200 PolarHBondContact ND2-O 3.33Å; V158-W200 HydrophobicContact CG2-CE3 3.98Å; V158-W200 HydrophobicContact CG2-CH2 4.47Å; V158-W200 HydrophobicContact CG2-CZ3 3.72Å; W200-L202 PolarHBondContact O-N 3.41Å
201	T	88.2	Confident	89.9	Confident	69 Å²	69	40.9 Å²	40.9	42%	0.423	22%	0.224	S	C	.	.			trans	-63.7	119.6	-167.7	-48.1	0	0	0	0	113.7	P198 S203 P206	P198-T201 WeakPolarHBondContact CG-O 3.48Å; T201-S203 PolarHBondContact O-N 2.76Å; T201-P206 HydrophobicContact CG2-CB 4.43Å
202	L	90.3	Very high	89.6	Confident	85 Å²	85	40.7 Å²	40.7	45%	0.445	23%	0.226	S	C	.	.			trans	-85	102.5	169.4	-65.5	175	0	0	0	110.2	N156 I159 W200	N156-L202 HydrophobicContact CB-CD2 4.05Å; I159-L202 HydrophobicContact CD1-CD2 3.74Å; W200-L202 PolarHBondContact O-N 3.41Å
203	S	88.1	Confident	89.4	Confident	41 Å²	41	45.1 Å²	45.1	29%	0.287	25%	0.249	S	C	.	.			trans	-159.3	150.4	173.6	174.3	0	0	0	0	110.3	T201 V205 P206	T201-S203 PolarHBondContact O-N 2.76Å; S203-V205 PolarHBondContact OG-N 3.28Å; S203-P206 WeakPolarHBondContact O-CD 3.44Å
204	Q	86.3	Confident	89.4	Confident	52 Å²	52	47.3 Å²	47.3	24%	0.243	26%	0.262	C	S	.	.	S	Bend	trans	-66.9	-38.8	171.1	-63.2	175	-15.3	0	0	111.2	R62 I63 T152 M154 P206	R62-Q204 PolarHBondContact NH2-O 3.28Å; R62-Q204 VanDerWaalsContact NH2-O 3.12Å; I63-Q204 HydrophobicContact CD1-CB 4.04Å; T152-Q204 PolarHBondContact O-NE2 2.89Å; M154-Q204 HydrophobicContact CG-CG 3.89Å; Q204-P206 VanDerWaalsContact C-CD 3.48Å
205	V	88.7	Confident	89.3	Confident	15 Å²	15	47 Å²	47	9%	0.091	26%	0.26	C	S	.	.	S	Bend	trans	-132.1	65.1	-174	-164.3	0	0	0	0	111.1	W59 I63 S203 S207 A347 A350 V351 I354	W59-V205 HydrophobicContact CD2-CG1 4.25Å; W59-V205 HydrophobicContact CE3-CG1 3.66Å; W59-V205 HydrophobicContact CZ3-CG1 4.03Å; I63-V205 HydrophobicContact CD1-CG2 4.06Å; S203-V205 PolarHBondContact OG-N 3.28Å; V205-S207 PolarHBondContact O-N 3Å; V205-A347 HydrophobicContact CG2-CB 4.27Å; V205-A350 HydrophobicContact CB-CB 4.05Å; V205-A350 HydrophobicContact CG1-CB 4.14Å; V205-A350 HydrophobicContact CG2-CB 4.21Å; V205-V351 HydrophobicContact CG1-CG2 3.87Å; V205-V351 HydrophobicContact CG2-CG2 4.25Å; V205-I354 HydrophobicContact CG1-CD1 3.59Å
206	P	86.9	Confident	89.3	Confident	6 Å²	6	45.5 Å²	45.5	4%	0.039	25%	0.254	C	S	.	.			trans	-61.5	100.9	171.3	25.7	-38.7	0	0	0	111.5	W59 R62 P198 T201 S203 Q204 S208 C209	W59-P206 WeakPolarHBondContact CH2-O 3.46Å; W59-P206 VanDerWaalsContact CZ3-O 3.22Å; W59-P206 WeakPolarHBondContact CZ3-O 3.45Å; R62-P206 VanDerWaalsContact NH2-CD 3.34Å; P198-P206 HydrophobicContact CB-CB 4.48Å; P198-P206 HydrophobicContact CB-CG 4.39Å; P198-P206 HydrophobicContact CG-CB 4.36Å; P198-P206 HydrophobicContact CG-CG 3.96Å; T201-P206 HydrophobicContact CG2-CB 4.43Å; S203-P206 WeakPolarHBondContact O-CD 3.44Å; Q204-P206 VanDerWaalsContact C-CD 3.48Å; P206-S208 PolarHBondContact O-N 2.6Å; P206-S208 VanDerWaalsContact O-N 3.14Å; P206-C209 HydrophobicContact CB-CB 4.17Å; P206-C209 HydrophobicContact CG-CB 4.12Å; P206-C209 CarbonylContact O-C 3.16Å; P206-C209 PolarHBondContact O-N 2.83Å
207	S	80.7	Confident	89.5	Confident	77 Å²	77	49.7 Å²	49.7	54%	0.538	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-31	-178.2	55	0	0	0	0	114.1	V205 C209	V205-S207 PolarHBondContact O-N 3Å; S207-C209 VanDerWaalsContact C-N 3.3Å; S207-C209 PolarHBondContact O-N 2.83Å
208	S	80.3	Confident	89.7	Confident	68 Å²	68	50 Å²	50	48%	0.476	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-11.4	174.9	55.7	0	0	0	0	114.7	P206 P210 M370	P206-S208 PolarHBondContact O-N 2.6Å; P206-S208 VanDerWaalsContact O-N 3.14Å; S208-P210 WeakPolarHBondContact O-CD 3.36Å; S208-M370 WeakPolarHBondContact O-CG 3.23Å
209	C	83.6	Confident	90	Very high	15 Å²	15	49.6 Å²	49.6	10%	0.101	27%	0.268	C	S	.	.	S	Bend	trans	-126	76.5	-179.3	-164.8	0	0	0	0	111	W59 R62 P198 P206 S207	W59-C209 WeakPolarHBondContact CZ3-O 3.41Å; R62-C209 PolarHBondContact NH1-O 3.32Å; P198-C209 HydrophobicContact CB-CB 4Å; P206-C209 HydrophobicContact CB-CB 4.17Å; P206-C209 HydrophobicContact CG-CB 4.12Å; P206-C209 CarbonylContact O-C 3.16Å; P206-C209 PolarHBondContact O-N 2.83Å; S207-C209 VanDerWaalsContact C-N 3.3Å; S207-C209 PolarHBondContact O-N 2.83Å
210	P	86.8	Confident	90.3	Very high	55 Å²	55	46.2 Å²	46.2	36%	0.357	25%	0.25	S	C	.	.	P	Polyproline II helix	trans	-64.7	136.5	172.7	27.2	-34.1	0	0	0	111.1	W59 S208 S212	W59-P210 VanDerWaalsContact CH2-CA 3.45Å; W59-P210 HydrophobicContact CH2-CB 4.03Å; W59-P210 HydrophobicContact CZ2-CB 3.81Å; S208-P210 WeakPolarHBondContact O-CD 3.36Å; P210-S212 PolarHBondContact O-N 2.86Å
211	P	89.1	Confident	90.7	Very high	22 Å²	22	40.6 Å²	40.6	14%	0.143	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-54.6	126.4	171.7	-25.7	34.5	0	0	0	111.2	Y58 W59 R62	Y58-P211 WeakPolarHBondContact O-CG 3.41Å; W59-P211 HydrophobicContact CD2-CG 4.28Å; W59-P211 HydrophobicContact CE3-CG 4.26Å; W59-P211 HydrophobicContact CG-CG 4.48Å; R62-P211 HydrophobicContact CB-CG 4.23Å
212	S	91.8	Very high	91.1	Very high	26 Å²	26	37.3 Å²	37.3	18%	0.182	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-81	134.3	179.4	177.4	0	0	0	0	110.9	P210 V214 C215 I216 N377	P210-S212 PolarHBondContact O-N 2.86Å; S212-V214 PolarHBondContact O-N 3.48Å; S212-V214 PolarHBondContact OG-N 3.33Å; S212-C215 PolarHBondContact O-N 2.87Å; S212-I216 PolarHBondContact O-N 3.07Å; S212-I216 VanDerWaalsContact O-N 3.07Å; S212-N377 WeakPolarHBondContact CB-ND2 3.41Å
213	L	93.1	Very high	91.4	Very high	92 Å²	92	33.3 Å²	33.3	48%	0.482	19%	0.187	S	C	.	.	H	α-helix	trans	-58.9	-28.1	174	-168.8	67	0	0	0	111.9	Y58 I216 W217	Y58-L213 HydrophobicContact CE2-CD1 3.73Å; L213-I216 PolarHBondContact O-N 3.17Å; L213-W217 WeakPolarHBondContact O-CB 3.42Å; L213-W217 VanDerWaalsContact O-CD1 3.31Å; L213-W217 PolarHBondContact O-N 3.14Å
214	V	95	Very high	91.8	Very high	46 Å²	46	31.4 Å²	31.4	28%	0.279	17%	0.174	S	C	.	.	H	α-helix	trans	-65.2	-43.8	174.2	-171.1	0	0	0	0	111.1	S212 I216 W217 T218 N377	S212-V214 PolarHBondContact O-N 3.48Å; S212-V214 PolarHBondContact OG-N 3.33Å; V214-I216 VanDerWaalsContact C-N 3.33Å; V214-I216 PolarHBondContact O-N 2.77Å; V214-W217 PolarHBondContact O-N 3.27Å; V214-W217 VanDerWaalsContact O-N 3.14Å; V214-T218 PolarHBondContact O-N 2.88Å; V214-N377 VanDerWaalsContact CG1-O 3.27Å; V214-N377 WeakPolarHBondContact CG1-O 3.47Å
215	C	94.9	Very high	92.2	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-68.1	-33.5	176.4	-51.9	0	0	0	0	111.5	F195 L196 S212 W217 T218 F219	F195-C215 PolarHBondContact O-SG 3.47Å; F195-C215 VanDerWaalsContact O-SG 3.33Å; L196-C215 HydrophobicContact CD2-CB 3.9Å; S212-C215 PolarHBondContact O-N 2.87Å; C215-W217 VanDerWaalsContact C-N 3.32Å; C215-T218 PolarHBondContact O-N 3.04Å; C215-T218 PolarHBondContact O-OG1 2.84Å; C215-F219 WeakPolarHBondContact O-CD2 3.5Å
216	I	96.4	Very high	92.5	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-66	-37.5	171.6	-61.1	-60.6	0	0	0	110.8	Y58 L65 S212 L213 V214 F219 R220 A330	Y58-I216 HydrophobicContact CD1-CD1 4.26Å; Y58-I216 HydrophobicContact CD1-CG1 4.25Å; Y58-I216 HydrophobicContact CD1-CG2 4.16Å; Y58-I216 HydrophobicContact CD2-CG1 4.04Å; Y58-I216 HydrophobicContact CE1-CG2 4.06Å; Y58-I216 HydrophobicContact CG-CD1 4.02Å; Y58-I216 HydrophobicContact CG-CG1 3.83Å; Y58-I216 HydrophobicContact CG-CG2 4.49Å; L65-I216 HydrophobicContact CD1-CD1 4.31Å; S212-I216 PolarHBondContact O-N 3.07Å; S212-I216 VanDerWaalsContact O-N 3.07Å; L213-I216 PolarHBondContact O-N 3.17Å; V214-I216 VanDerWaalsContact C-N 3.33Å; V214-I216 PolarHBondContact O-N 2.77Å; I216-F219 PolarHBondContact O-N 2.98Å; I216-R220 WeakPolarHBondContact O-CG 3.34Å; I216-R220 PolarHBondContact O-N 3.32Å; I216-R220 VanDerWaalsContact O-N 3.1Å; I216-A330 HydrophobicContact CG2-CB 4.25Å; I216-A330 WeakPolarHBondContact CG2-O 3.46Å
217	W	96.6	Very high	92.9	Very high	93 Å²	93	28.7 Å²	28.7	35%	0.352	16%	0.16	S	C	.	.	H	α-helix	trans	-69.2	-31.1	176.1	-90.3	115	0	0	0	114.5	L213 V214 C215 R220 W221 T290 F291	L213-W217 WeakPolarHBondContact O-CB 3.42Å; L213-W217 VanDerWaalsContact O-CD1 3.31Å; L213-W217 PolarHBondContact O-N 3.14Å; V214-W217 PolarHBondContact O-N 3.27Å; V214-W217 VanDerWaalsContact O-N 3.14Å; C215-W217 VanDerWaalsContact C-N 3.32Å; W217-R220 HydrophobicContact CE3-CB 3.77Å; W217-R220 HydrophobicContact CE3-CG 4.49Å; W217-R220 HydrophobicContact CZ3-CB 4.13Å; W217-R220 PolarHBondContact O-N 3.02Å; W217-W221 WeakPolarHBondContact O-CB 3.41Å; W217-W221 PolarHBondContact O-N 2.87Å; W217-T290 HydrophobicContact CH2-CG2 4.28Å; W217-T290 HydrophobicContact CZ3-CG2 3.86Å; W217-F291 HydrophobicContact CH2-CD1 4.04Å; W217-F291 HydrophobicContact CH2-CE1 4.36Å; W217-F291 HydrophobicContact CZ3-CD1 4.06Å; W217-F291 AromaticContact CZ3-CE1 3.91Å; W217-F291 HydrophobicContact CZ3-CE1 3.91Å
218	T	96.9	Very high	93.6	Very high	6 Å²	6	26.2 Å²	26.2	4%	0.037	14%	0.14	C	C	.	.	H	α-helix	trans	-65.9	-39.5	174.9	55.2	0	0	0	0	111.8	L192 V214 C215 W221 L222 L380 I384	L192-T218 HydrophobicContact CD2-CG2 4.23Å; V214-T218 PolarHBondContact O-N 2.88Å; C215-T218 PolarHBondContact O-N 3.04Å; C215-T218 PolarHBondContact O-OG1 2.84Å; T218-W221 PolarHBondContact O-N 3.45Å; T218-L222 WeakPolarHBondContact O-CB 3.24Å; T218-L222 PolarHBondContact O-N 3.26Å; T218-L380 HydrophobicContact CG2-CD2 4.37Å; T218-L380 HydrophobicContact CG2-CG 4.45Å; T218-I384 HydrophobicContact CG2-CB 4.26Å; T218-I384 HydrophobicContact CG2-CG1 4Å; T218-I384 HydrophobicContact CG2-CG2 4.24Å
219	F	97.4	Very high	94.2	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-66.4	-40.4	171.3	-77.6	-86.7	0	0	0	112.4	L65 T189 L192 A193 L196 C215 I216 W221 L222 I223 V326 P327 A330	L65-F219 HydrophobicContact CD2-CD1 4.11Å; L65-F219 HydrophobicContact CD2-CE1 4.28Å; L65-F219 HydrophobicContact CD2-CG 4.43Å; T189-F219 HydrophobicContact CG2-CE1 3.82Å; L192-F219 HydrophobicContact CB-CD2 4.27Å; L192-F219 HydrophobicContact CB-CE1 4.23Å; L192-F219 HydrophobicContact CB-CE2 3.66Å; L192-F219 HydrophobicContact CB-CZ 3.65Å; A193-F219 HydrophobicContact CB-CZ 4.19Å; L196-F219 HydrophobicContact CD1-CE2 3.7Å; L196-F219 HydrophobicContact CD1-CZ 3.99Å; L196-F219 HydrophobicContact CD2-CE2 4.11Å; L196-F219 HydrophobicContact CG-CE2 3.91Å; C215-F219 WeakPolarHBondContact O-CD2 3.5Å; I216-F219 PolarHBondContact O-N 2.98Å; F219-W221 VanDerWaalsContact C-N 3.32Å; F219-W221 PolarHBondContact O-N 3.45Å; F219-L222 WeakPolarHBondContact O-CB 3.27Å; F219-L222 PolarHBondContact O-N 2.79Å; F219-I223 PolarHBondContact O-N 2.77Å; F219-I223 VanDerWaalsContact O-N 3.07Å; F219-V326 HydrophobicContact CE1-CG1 4.47Å; F219-P327 HydrophobicContact CB-CB 4.32Å; F219-P327 HydrophobicContact CD1-CB 4.12Å; F219-P327 WeakPolarHBondContact O-CB 3.4Å; F219-A330 HydrophobicContact CB-CB 3.5Å; F219-A330 HydrophobicContact CG-CB 4.47Å
220	R	97.3	Very high	94.6	Very high	18 Å²	18	22.7 Å²	22.7	7%	0.068	12%	0.116	C	C	.	.	H	α-helix	trans	-61.1	-40.7	173.5	-72.7	177.3	-173.2	-179.3	2.4	112.4	Y58 I216 W217 L222 I223 V224 T290 A330	Y58-R220 VanDerWaalsContact CE1-NH2 3.33Å; Y58-R220 PolarHBondContact OH-NH2 3.04Å; I216-R220 WeakPolarHBondContact O-CG 3.34Å; I216-R220 PolarHBondContact O-N 3.32Å; I216-R220 VanDerWaalsContact O-N 3.1Å; W217-R220 HydrophobicContact CE3-CB 3.77Å; W217-R220 HydrophobicContact CE3-CG 4.49Å; W217-R220 HydrophobicContact CZ3-CB 4.13Å; W217-R220 PolarHBondContact O-N 3.02Å; R220-L222 VanDerWaalsContact C-N 3.35Å; R220-I223 WeakPolarHBondContact O-CG2 3.44Å; R220-V224 VanDerWaalsContact O-CG2 3.31Å; R220-V224 WeakPolarHBondContact O-CG2 3.34Å; R220-V224 PolarHBondContact O-N 2.98Å; R220-V224 VanDerWaalsContact O-N 3.11Å; R220-T290 HydrophobicContact CB-CG2 3.9Å; R220-T290 HydrophobicContact CG-CG2 4.24Å; R220-A330 HydrophobicContact CG-CB 4.18Å; R220-A330 VanDerWaalsContact CZ-O 3.29Å; R220-A330 PolarHBondContact NE-O 3.39Å; R220-A330 PolarHBondContact NH2-O 3.34Å
221	W	96.6	Very high	94.9	Very high	67 Å²	67	20 Å²	20	25%	0.254	10%	0.099	S	C	.	.	H	α-helix	trans	-67.8	-35	175.8	178.9	-129.1	0	0	0	112.4	W217 T218 F219 V224 R225 S388 V392	W217-W221 WeakPolarHBondContact O-CB 3.41Å; W217-W221 PolarHBondContact O-N 2.87Å; T218-W221 PolarHBondContact O-N 3.45Å; F219-W221 VanDerWaalsContact C-N 3.32Å; F219-W221 PolarHBondContact O-N 3.45Å; W221-V224 HydrophobicContact CE3-CB 4.21Å; W221-V224 HydrophobicContact CE3-CG1 4.03Å; W221-V224 HydrophobicContact CZ3-CG1 3.87Å; W221-V224 PolarHBondContact O-N 2.89Å; W221-R225 HydrophobicContact CD2-CG 4.18Å; W221-R225 HydrophobicContact CE3-CG 4.43Å; W221-R225 HydrophobicContact CH2-CG 4.01Å; W221-R225 HydrophobicContact CZ2-CG 3.72Å; W221-R225 HydrophobicContact CZ3-CG 4.36Å; W221-R225 PolarHBondContact O-N 2.91Å; W221-S388 PolarHBondContact NE1-OG 3.41Å; W221-V392 HydrophobicContact CH2-CG2 3.92Å; W221-V392 HydrophobicContact CZ2-CG2 3.74Å
222	L	96.6	Very high	95.1	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-62.3	-50.9	173.6	176.2	57.2	0	0	0	111.9	E188 T189 L192 T218 F219 R220 V224 R225 I226 P327 Y415	E188-L222 HydrophobicContact CG-CD1 4.15Å; E188-L222 HydrophobicContact CG-CD2 4.38Å; T189-L222 HydrophobicContact CG2-CD2 4.47Å; T189-L222 WeakPolarHBondContact OG1-CD2 3.3Å; L192-L222 HydrophobicContact CD1-CB 4.36Å; L192-L222 HydrophobicContact CD1-CD2 4.06Å; T218-L222 WeakPolarHBondContact O-CB 3.24Å; T218-L222 PolarHBondContact O-N 3.26Å; F219-L222 WeakPolarHBondContact O-CB 3.27Å; F219-L222 PolarHBondContact O-N 2.79Å; R220-L222 VanDerWaalsContact C-N 3.35Å; L222-V224 VanDerWaalsContact C-N 3.33Å; L222-V224 PolarHBondContact O-N 3.14Å; L222-R225 PolarHBondContact O-N 3.1Å; L222-I226 HydrophobicContact CD1-CD1 3.68Å; L222-I226 HydrophobicContact CD1-CG1 3.99Å; L222-I226 HydrophobicContact CG-CD1 3.74Å; L222-I226 HydrophobicContact CG-CG1 4.5Å; L222-I226 WeakPolarHBondContact O-CD1 3.41Å; L222-I226 VanDerWaalsContact O-CG1 3.28Å; L222-I226 WeakPolarHBondContact O-CG1 3.2Å; L222-I226 PolarHBondContact O-N 2.7Å; L222-P327 HydrophobicContact CB-CB 4.36Å; L222-P327 HydrophobicContact CD2-CB 4.27Å; L222-P327 HydrophobicContact CD2-CG 4.45Å; L222-P327 HydrophobicContact CG-CB 4.26Å; L222-P327 HydrophobicContact CG-CG 4.34Å; L222-Y415 HydrophobicContact CD1-CE2 3.69Å
223	I	96.7	Very high	95.1	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-62.3	-39.6	176.6	-175.7	63	0	0	0	111.8	F219 R220 R225 I226 M227 Q304 T324 P327 S328	F219-I223 PolarHBondContact O-N 2.77Å; F219-I223 VanDerWaalsContact O-N 3.07Å; R220-I223 WeakPolarHBondContact O-CG2 3.44Å; I223-R225 PolarHBondContact O-N 3.15Å; I223-I226 PolarHBondContact O-N 2.67Å; I223-M227 HydrophobicContact CD1-CG 3.61Å; I223-M227 HydrophobicContact CD1-SD 3.88Å; I223-M227 HydrophobicContact CG1-CG 4.09Å; I223-M227 WeakPolarHBondContact O-CG 3.48Å; I223-M227 PolarHBondContact O-N 2.97Å; I223-Q304 HydrophobicContact CD1-CB 4.4Å; I223-Q304 HydrophobicContact CD1-CG 4.38Å; I223-Q304 HydrophobicContact CG1-CB 4.48Å; I223-Q304 HydrophobicContact CG1-CG 4.13Å; I223-T324 HydrophobicContact CD1-CG2 3.67Å; I223-P327 HydrophobicContact CB-CB 3.95Å; I223-P327 HydrophobicContact CB-CG 3.96Å; I223-P327 HydrophobicContact CD1-CG 4.37Å; I223-P327 HydrophobicContact CG2-CB 4.48Å; I223-S328 WeakPolarHBondContact CD1-OG 3.5Å
224	V	96.3	Very high	95.1	Very high	2 Å²	2	17 Å²	17	1%	0.012	8%	0.079	C	C	.	.	H	α-helix	trans	-59.3	-44.9	175.2	169.1	0	0	0	0	111.6	R220 W221 L222 L228 P287 T290 F291	R220-V224 VanDerWaalsContact O-CG2 3.31Å; R220-V224 WeakPolarHBondContact O-CG2 3.34Å; R220-V224 PolarHBondContact O-N 2.98Å; R220-V224 VanDerWaalsContact O-N 3.11Å; W221-V224 HydrophobicContact CE3-CB 4.21Å; W221-V224 HydrophobicContact CE3-CG1 4.03Å; W221-V224 HydrophobicContact CZ3-CG1 3.87Å; W221-V224 PolarHBondContact O-N 2.89Å; L222-V224 VanDerWaalsContact C-N 3.33Å; L222-V224 PolarHBondContact O-N 3.14Å; V224-L228 HydrophobicContact CG1-CD1 3.65Å; V224-L228 HydrophobicContact CG1-CG 4.35Å; V224-L228 VanDerWaalsContact O-CB 3.3Å; V224-L228 WeakPolarHBondContact O-CB 3.44Å; V224-L228 VanDerWaalsContact O-CG 3.26Å; V224-L228 WeakPolarHBondContact O-CG 3.36Å; V224-L228 PolarHBondContact O-N 3.36Å; V224-P287 HydrophobicContact CG1-CB 4.43Å; V224-P287 HydrophobicContact CG2-CB 4.25Å; V224-T290 HydrophobicContact CG2-CG2 4.13Å; V224-T290 WeakPolarHBondContact CG2-OG1 3.38Å; V224-F291 HydrophobicContact CG1-CE2 4.28Å; V224-F291 HydrophobicContact CG1-CZ 4.31Å; V224-F291 HydrophobicContact CG2-CE2 4.34Å; V224-F291 HydrophobicContact CG2-CZ 4.35Å
225	R	94.6	Very high	94.9	Very high	3 Å²	3	17.9 Å²	17.9	1%	0.011	8%	0.082	C	C	.	.	H	α-helix	trans	-67.2	-39.6	176.4	-82.1	-174.6	-71.4	120.8	1.1	113.9	E188 W221 L222 I223 G229 V391 L395 N413	E188-R225 IonicContact OE1-CZ 3.15Å; E188-R225 IonicContact OE1-NH1 3.41Å; E188-R225 PolarHBondContact OE1-NH1 3.37Å; E188-R225 IonicContact OE1-NH2 2.64Å; E188-R225 PolarHBondContact OE1-NH2 3.27Å; E188-R225 IonicContact OE2-NH1 2.72Å; E188-R225 PolarHBondContact OE2-NH1 2.95Å; W221-R225 HydrophobicContact CD2-CG 4.18Å; W221-R225 HydrophobicContact CE3-CG 4.43Å; W221-R225 HydrophobicContact CH2-CG 4.01Å; W221-R225 HydrophobicContact CZ2-CG 3.72Å; W221-R225 HydrophobicContact CZ3-CG 4.36Å; W221-R225 PolarHBondContact O-N 2.91Å; L222-R225 PolarHBondContact O-N 3.1Å; I223-R225 PolarHBondContact O-N 3.15Å; R225-G229 WeakPolarHBondContact O-CA 3.32Å; R225-G229 PolarHBondContact O-N 2.96Å; R225-V391 HydrophobicContact CG-CG1 4.49Å; R225-L395 HydrophobicContact CG-CD1 4.31Å; R225-N413 PolarHBondContact NH1-O 2.97Å
226	I	94.8	Very high	94.7	Very high	11 Å²	11	21.3 Å²	21.3	6%	0.056	10%	0.095	C	C	.	.	H	α-helix	trans	-60.7	-52.6	178.4	-67.5	157.2	0	0	0	109.9	Q185 L222 I223 G229 A230 T324 P327 Y415	Q185-I226 HydrophobicContact CG-CD1 4.3Å; Q185-I226 VanDerWaalsContact NE2-CD1 3.34Å; L222-I226 HydrophobicContact CD1-CD1 3.68Å; L222-I226 HydrophobicContact CD1-CG1 3.99Å; L222-I226 HydrophobicContact CG-CD1 3.74Å; L222-I226 HydrophobicContact CG-CG1 4.5Å; L222-I226 WeakPolarHBondContact O-CD1 3.41Å; L222-I226 VanDerWaalsContact O-CG1 3.28Å; L222-I226 WeakPolarHBondContact O-CG1 3.2Å; L222-I226 PolarHBondContact O-N 2.7Å; I223-I226 PolarHBondContact O-N 2.67Å; I226-G229 PolarHBondContact O-N 3.46Å; I226-A230 WeakPolarHBondContact O-CB 3.48Å; I226-A230 PolarHBondContact O-N 3.43Å; I226-T324 HydrophobicContact CG2-CG2 3.79Å; I226-P327 HydrophobicContact CD1-CG 4.14Å; I226-Y415 HydrophobicContact CB-CD2 4.38Å; I226-Y415 HydrophobicContact CG1-CD2 3.49Å; I226-Y415 VanDerWaalsContact CG1-CD2 3.49Å; I226-Y415 HydrophobicContact CG1-CE2 3.91Å; I226-Y415 HydrophobicContact CG1-CG 4Å
227	M	95.8	Very high	94.2	Very high	2 Å²	2	22.9 Å²	22.9	1%	0.01	11%	0.111	C	C	.	.	H	α-helix	trans	-70.6	-46.7	-174	-58.2	-44	-70	0	0	111.9	I223 G229 A230 G231 I282 E283 P287 Q304 F307 T324	I223-M227 HydrophobicContact CD1-CG 3.61Å; I223-M227 HydrophobicContact CD1-SD 3.88Å; I223-M227 HydrophobicContact CG1-CG 4.09Å; I223-M227 WeakPolarHBondContact O-CG 3.48Å; I223-M227 PolarHBondContact O-N 2.97Å; M227-G229 VanDerWaalsContact C-N 3.3Å; M227-G229 PolarHBondContact O-N 3.03Å; M227-A230 PolarHBondContact O-N 3.4Å; M227-G231 PolarHBondContact O-N 2.99Å; M227-I282 HydrophobicContact CE-CG2 4.44Å; M227-E283 CarbonylContact C-O 3.6Å; M227-E283 HydrophobicContact CE-CG 3.72Å; M227-E283 VanDerWaalsContact O-O 3.08Å; M227-P287 HydrophobicContact CB-CG 3.66Å; M227-Q304 HydrophobicContact CG-CG 4.49Å; M227-F307 HydrophobicContact CE-CD1 3.69Å; M227-F307 HydrophobicContact CE-CE1 3.73Å; M227-T324 HydrophobicContact SD-CG2 3.83Å
228	L	94.7	Very high	93.9	Very high	24 Å²	24	19.7 Å²	19.7	13%	0.126	10%	0.101	C	C	.	.	H	α-helix	trans	-61.8	-38.9	175.5	-68.4	177.2	0	0	0	111.7	V224 L232 E283 P287 F288	V224-L228 HydrophobicContact CG1-CD1 3.65Å; V224-L228 HydrophobicContact CG1-CG 4.35Å; V224-L228 VanDerWaalsContact O-CB 3.3Å; V224-L228 WeakPolarHBondContact O-CB 3.44Å; V224-L228 VanDerWaalsContact O-CG 3.26Å; V224-L228 WeakPolarHBondContact O-CG 3.36Å; V224-L228 PolarHBondContact O-N 3.36Å; L228-L232 WeakPolarHBondContact O-CB 3.5Å; L228-L232 WeakPolarHBondContact O-CD1 3.2Å; L228-L232 WeakPolarHBondContact O-CG 3.07Å; L228-L232 PolarHBondContact O-N 3.2Å; L228-E283 WeakPolarHBondContact CA-O 3.24Å; L228-E283 PolarHBondContact N-O 2.73Å; L228-P287 HydrophobicContact CD2-CB 4.27Å; L228-P287 HydrophobicContact CD2-CG 4.23Å; L228-P287 HydrophobicContact CG-CB 4.15Å; L228-P287 HydrophobicContact CG-CG 4.34Å; L228-F288 HydrophobicContact CD1-CZ 4.38Å; L228-F288 HydrophobicContact CD2-CE2 3.93Å; L228-F288 HydrophobicContact CD2-CZ 4.26Å
229	G	92.6	Very high	93.7	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-62.5	-43	176.7	0	0	0	0	0	113	R225 I226 M227 I233 Q400 Y415	R225-G229 WeakPolarHBondContact O-CA 3.32Å; R225-G229 PolarHBondContact O-N 2.96Å; I226-G229 PolarHBondContact O-N 3.46Å; M227-G229 VanDerWaalsContact C-N 3.3Å; M227-G229 PolarHBondContact O-N 3.03Å; G229-I233 WeakPolarHBondContact O-CG2 3.34Å; G229-I233 PolarHBondContact O-N 2.93Å; G229-I233 VanDerWaalsContact O-N 3.15Å; G229-Q400 PolarHBondContact O-NE2 3.21Å; G229-Y415 CarbonylContact C-O 3.23Å; G229-Y415 VanDerWaalsContact C-O 3.23Å; G229-Y415 VanDerWaalsContact CA-O 3.29Å; G229-Y415 WeakPolarHBondContact CA-O 3.37Å
230	A	92.6	Very high	93.5	Very high	9 Å²	9	25.6 Å²	25.6	7%	0.074	13%	0.128	C	C	.	.	H	α-helix	trans	-66.1	-47.6	175.2	0	0	0	0	0	112.7	I226 M227 I233 K234	I226-A230 WeakPolarHBondContact O-CB 3.48Å; I226-A230 PolarHBondContact O-N 3.43Å; M227-A230 PolarHBondContact O-N 3.4Å; A230-I233 WeakPolarHBondContact O-CG2 3.28Å; A230-K234 VanDerWaalsContact O-CG 3.27Å; A230-K234 WeakPolarHBondContact O-CG 3.49Å; A230-K234 PolarHBondContact O-N 3.19Å
231	G	93.9	Very high	93.4	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-65.7	-40.6	179.5	0	0	0	0	0	113.1	M227 K234 I235	M227-G231 PolarHBondContact O-N 2.99Å; G231-K234 PolarHBondContact O-N 3.03Å; G231-I235 PolarHBondContact O-N 3.36Å
232	L	93.3	Very high	93.2	Very high	44 Å²	44	29 Å²	29	23%	0.23	14%	0.141	C	C	.	.	H	α-helix	trans	-70.2	-39.3	-179.2	-72.2	171.1	0	0	0	112.2	L228 K234 R236 L284 L395 Q400	L228-L232 WeakPolarHBondContact O-CB 3.5Å; L228-L232 WeakPolarHBondContact O-CD1 3.2Å; L228-L232 WeakPolarHBondContact O-CG 3.07Å; L228-L232 PolarHBondContact O-N 3.2Å; L232-K234 VanDerWaalsContact C-N 3.27Å; L232-K234 PolarHBondContact O-N 3.1Å; L232-R236 VanDerWaalsContact O-CB 3.31Å; L232-R236 WeakPolarHBondContact O-CB 3.31Å; L232-R236 WeakPolarHBondContact O-CD 3.31Å; L232-R236 WeakPolarHBondContact O-CG 3.39Å; L232-R236 PolarHBondContact O-N 2.93Å; L232-L284 HydrophobicContact CD2-CD2 3.89Å; L232-L284 HydrophobicContact CG-CD2 3.79Å; L232-L395 HydrophobicContact CD1-CB 4.44Å; L232-L395 HydrophobicContact CD1-CD2 4.24Å; L232-Q400 VanDerWaalsContact CB-OE1 3.26Å
233	I	90.6	Very high	93.2	Very high	19 Å²	19	32.9 Å²	32.9	10%	0.097	16%	0.162	C	C	.	.	H	α-helix	trans	-68.2	-29.4	178.6	-159.2	67.2	0	0	0	111.9	G229 A230 G237 Q400 M402	G229-I233 WeakPolarHBondContact O-CG2 3.34Å; G229-I233 PolarHBondContact O-N 2.93Å; G229-I233 VanDerWaalsContact O-N 3.15Å; A230-I233 WeakPolarHBondContact O-CG2 3.28Å; I233-G237 WeakPolarHBondContact O-CA 3.13Å; I233-G237 PolarHBondContact O-N 3Å; I233-Q400 HydrophobicContact CD1-CB 4.16Å; I233-Q400 HydrophobicContact CD1-CG 4.11Å; I233-Q400 WeakPolarHBondContact CD1-O 3.4Å; I233-M402 HydrophobicContact CG1-CB 4.45Å; I233-M402 HydrophobicContact CG1-SD 4.36Å
234	K	92.9	Very high	93.1	Very high	13 Å²	13	35.2 Å²	35.2	6%	0.057	17%	0.174	C	C	.	.	H	α-helix	trans	-66.3	-55	174	-72.1	172.5	-176.4	173.2	0	112.1	A230 G231 L232 R236 G237 W241 E283 A417	A230-K234 VanDerWaalsContact O-CG 3.27Å; A230-K234 WeakPolarHBondContact O-CG 3.49Å; A230-K234 PolarHBondContact O-N 3.19Å; G231-K234 PolarHBondContact O-N 3.03Å; L232-K234 VanDerWaalsContact C-N 3.27Å; L232-K234 PolarHBondContact O-N 3.1Å; K234-R236 PolarHBondContact O-N 3.47Å; K234-R236 VanDerWaalsContact O-N 3.17Å; K234-G237 PolarHBondContact O-N 3.18Å; K234-W241 HydrophobicContact CB-CB 4.39Å; K234-W241 HydrophobicContact CB-CD2 3.69Å; K234-W241 HydrophobicContact CB-CE3 4.31Å; K234-W241 HydrophobicContact CB-CG 3.69Å; K234-W241 HydrophobicContact CB-CZ2 4.5Å; K234-W241 HydrophobicContact CD-CD2 4.13Å; K234-W241 HydrophobicContact CD-CE3 4.19Å; K234-W241 HydrophobicContact CD-CH2 3.85Å; K234-W241 HydrophobicContact CD-CZ2 3.73Å; K234-W241 HydrophobicContact CD-CZ3 4.07Å; K234-W241 HydrophobicContact CG-CD2 3.92Å; K234-W241 HydrophobicContact CG-CE3 4.47Å; K234-W241 HydrophobicContact CG-CG 4.34Å; K234-W241 HydrophobicContact CG-CH2 4.41Å; K234-W241 HydrophobicContact CG-CZ2 3.79Å; K234-W241 WeakPolarHBondContact O-CB 3.27Å; K234-E283 WeakPolarHBondContact CD-OE2 3.4Å; K234-E283 WeakPolarHBondContact CE-OE2 3.25Å; K234-E283 IonicContact NZ-OE1 2.73Å; K234-E283 PolarHBondContact NZ-OE1 3.43Å; K234-E283 IonicContact NZ-OE2 2.66Å; K234-E283 PolarHBondContact NZ-OE2 2.66Å; K234-A417 VanDerWaalsContact CE-O 3.31Å; K234-A417 WeakPolarHBondContact CE-O 3.5Å
235	I	91.7	Very high	93	Very high	65 Å²	65	36.5 Å²	36.5	33%	0.333	18%	0.182	S	C	.	.	H	α-helix	trans	-56.8	-34.8	175.5	-70	-171.4	0	0	0	111.6	G231 R242 H280 L284	G231-I235 PolarHBondContact O-N 3.36Å; I235-R242 VanDerWaalsContact O-CZ 3.25Å; I235-R242 PolarHBondContact O-NE 3.49Å; I235-R242 PolarHBondContact O-NH2 2.99Å; I235-H280 VanDerWaalsContact CG1-CD2 3.49Å; I235-H280 WeakPolarHBondContact CG1-CD2 3.43Å; I235-H280 WeakPolarHBondContact CG1-NE2 3.3Å; I235-L284 HydrophobicContact CD1-CD1 3.35Å; I235-L284 HydrophobicContact CG1-CD1 4.18Å
236	R	90.8	Very high	93	Very high	72 Å²	72	36.4 Å²	36.4	27%	0.272	18%	0.181	S	C	.	.	H	α-helix	trans	-82	-32.5	-177.9	-70.3	169.1	175.5	158.5	-8.4	114.1	L232 K234 L395 S397	L232-R236 VanDerWaalsContact O-CB 3.31Å; L232-R236 WeakPolarHBondContact O-CB 3.31Å; L232-R236 WeakPolarHBondContact O-CD 3.31Å; L232-R236 WeakPolarHBondContact O-CG 3.39Å; L232-R236 PolarHBondContact O-N 2.93Å; K234-R236 PolarHBondContact O-N 3.47Å; K234-R236 VanDerWaalsContact O-N 3.17Å; R236-L395 VanDerWaalsContact CZ-O 3.32Å; R236-L395 PolarHBondContact NH1-O 2.76Å; R236-L395 PolarHBondContact NH2-O 2.83Å; R236-S397 PolarHBondContact NH1-O 3.22Å; R236-S397 PolarHBondContact NH2-O 3.29Å
237	G	86.4	Confident	93	Very high	33 Å²	33	36.1 Å²	36.1	34%	0.34	18%	0.18	S	C	.	.	H	α-helix	trans	-97.9	-20.5	-162.8	0	0	0	0	0	117.9	I233 K234 G419 S420	I233-G237 WeakPolarHBondContact O-CA 3.13Å; I233-G237 PolarHBondContact O-N 3Å; K234-G237 PolarHBondContact O-N 3.18Å; G237-G419 CarbonylContact C-O 3.53Å; G237-G419 VanDerWaalsContact CA-O 3.29Å; G237-G419 WeakPolarHBondContact CA-O 3.46Å; G237-S420 PolarHBondContact O-OG 3.46Å
238	D	88.9	Confident	92.9	Very high	26 Å²	26	38.1 Å²	38.1	14%	0.139	19%	0.19	C	C	.	.			trans	-142.2	150.4	176	-149.1	-54	0	0	0	111.2	C240 G419 I421	D238-C240 VanDerWaalsContact C-N 3.35Å; D238-C240 VanDerWaalsContact CG-SG 3.52Å; D238-C240 PolarHBondContact OD1-N 2.96Å; D238-G419 PolarHBondContact N-O 3.14Å; D238-G419 VanDerWaalsContact N-O 3.16Å; D238-I421 PolarHBondContact OD2-N 2.97Å
239	Q	92.8	Very high	92.8	Very high	127 Å²	127	41 Å²	41	59%	0.593	20%	0.2	S	C	*	.	H	α-helix	trans	-72.4	-31	171.1	-159.9	-173.3	-52.4	0	0	111.2	W241 R242 D243	Q239-W241 PolarHBondContact O-N 3.01Å; Q239-R242 PolarHBondContact O-N 2.84Å; Q239-D243 WeakPolarHBondContact CG-OD2 3.32Å; Q239-D243 PolarHBondContact NE2-OD2 3.45Å; Q239-D243 PolarHBondContact O-N 3.43Å
240	C	93.4	Very high	92.9	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.014	20%	0.204	C	C	.	.	H	α-helix	trans	-61.7	-21.7	-178.7	69.6	0	0	0	0	113.6	D238 L244 T245 C246	D238-C240 VanDerWaalsContact C-N 3.35Å; D238-C240 VanDerWaalsContact CG-SG 3.52Å; D238-C240 PolarHBondContact OD1-N 2.96Å; C240-L244 CarbonylContact O-C 3.17Å; C240-L244 PolarHBondContact O-N 2.84Å; C240-L244 VanDerWaalsContact O-N 3.13Å; C240-T245 WeakPolarHBondContact CB-OG1 3.23Å; C240-T245 PolarHBondContact O-N 3.13Å; C240-C246 HydrophobicContact CB-CB 4.05Å; C240-C246 WeakPolarHBondContact CB-SG 3.31Å; C240-C246 PolarHBondContact O-N 3.39Å; C240-C246 PolarHBondContact O-SG 3.39Å; C240-C246 WeakPolarHBondContact SG-CA 3.43Å; C240-C246 WeakPolarHBondContact SG-CB 3.45Å; C240-C246 CovalentContact SG-SG 2.04Å; C240-C246 PolarHBondContact SG-SG 2.89Å
241	W	94.8	Very high	93	Very high	4 Å²	4	41.7 Å²	41.7	2%	0.015	20%	0.202	C	C	.	.	H	α-helix	trans	-73.4	-36.4	176	-73.4	117.1	0	0	0	111	K234 Q239 C246 M247 T276 H280 F418 I421	K234-W241 HydrophobicContact CB-CB 4.39Å; K234-W241 HydrophobicContact CB-CD2 3.69Å; K234-W241 HydrophobicContact CB-CE3 4.31Å; K234-W241 HydrophobicContact CB-CG 3.69Å; K234-W241 HydrophobicContact CB-CZ2 4.5Å; K234-W241 HydrophobicContact CD-CD2 4.13Å; K234-W241 HydrophobicContact CD-CE3 4.19Å; K234-W241 HydrophobicContact CD-CH2 3.85Å; K234-W241 HydrophobicContact CD-CZ2 3.73Å; K234-W241 HydrophobicContact CD-CZ3 4.07Å; K234-W241 HydrophobicContact CG-CD2 3.92Å; K234-W241 HydrophobicContact CG-CE3 4.47Å; K234-W241 HydrophobicContact CG-CG 4.34Å; K234-W241 HydrophobicContact CG-CH2 4.41Å; K234-W241 HydrophobicContact CG-CZ2 3.79Å; K234-W241 WeakPolarHBondContact O-CB 3.27Å; Q239-W241 PolarHBondContact O-N 3.01Å; W241-C246 VanDerWaalsContact CD1-SG 3.55Å; W241-C246 HydrophobicContact CD2-CB 3.96Å; W241-C246 HydrophobicContact CE3-CB 4Å; W241-C246 HydrophobicContact CH2-CB 4.1Å; W241-C246 HydrophobicContact CZ2-CB 4.09Å; W241-C246 HydrophobicContact CZ3-CB 4.06Å; W241-C246 PolarHBondContact N-SG 3.4Å; W241-M247 HydrophobicContact CH2-SD 4.41Å; W241-T276 HydrophobicContact CE3-CG2 3.73Å; W241-T276 HydrophobicContact CZ3-CG2 4Å; W241-H280 PolarHBondContact O-CE1 3.3Å; W241-F418 HydrophobicContact CZ2-CB 4.41Å; W241-F418 WeakPolarHBondContact CZ2-O 3.33Å; W241-F418 PolarHBondContact NE1-O 3.38Å; W241-I421 HydrophobicContact CZ2-CD1 4.08Å; W241-I421 HydrophobicContact CZ2-CG1 4.04Å
242	R	94.1	Very high	93	Very high	154 Å²	154	42.2 Å²	42.2	58%	0.581	20%	0.204	S	C	*	.	H	α-helix	trans	-75.9	-38.4	176.4	-54.3	-178.2	-168.9	161.9	9.9	111.6	I235 Q239 L244	I235-R242 VanDerWaalsContact O-CZ 3.25Å; I235-R242 PolarHBondContact O-NE 3.49Å; I235-R242 PolarHBondContact O-NH2 2.99Å; Q239-R242 PolarHBondContact O-N 2.84Å; R242-L244 PolarHBondContact O-N 3.38Å
243	D	94.9	Very high	93	Very high	81 Å²	81	40.3 Å²	40.3	43%	0.433	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-1.8	178.5	-59.6	-13.8	0	0	0	112.9	Q239 T245	Q239-D243 WeakPolarHBondContact CG-OD2 3.32Å; Q239-D243 PolarHBondContact NE2-OD2 3.45Å; Q239-D243 PolarHBondContact O-N 3.43Å; D243-T245 VanDerWaalsContact C-N 3.28Å; D243-T245 PolarHBondContact O-N 3.01Å
244	L	95.6	Very high	93.1	Very high	48 Å²	48	39.6 Å²	39.6	25%	0.251	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.2	23.4	-178.3	-53.2	177.9	0	0	0	115.5	C240 R242 R273 T276	C240-L244 CarbonylContact O-C 3.17Å; C240-L244 PolarHBondContact O-N 2.84Å; C240-L244 VanDerWaalsContact O-N 3.13Å; R242-L244 PolarHBondContact O-N 3.38Å; L244-R273 HydrophobicContact CB-CB 4.14Å; L244-R273 HydrophobicContact CB-CG 3.89Å; L244-R273 WeakPolarHBondContact O-CG 3.42Å; L244-T276 HydrophobicContact CB-CG2 4.3Å; L244-T276 HydrophobicContact CD2-CG2 3.79Å; L244-T276 PolarHBondContact O-OG1 3.09Å
245	T	94.5	Very high	92.9	Very high	30 Å²	30	39 Å²	39	18%	0.184	19%	0.188	C	C	.	.			trans	-107	-4.1	-173.4	49.9	0	0	0	0	115.1	C240 D243 M247 D248 Y249	C240-T245 WeakPolarHBondContact CB-OG1 3.23Å; C240-T245 PolarHBondContact O-N 3.13Å; D243-T245 VanDerWaalsContact C-N 3.28Å; D243-T245 PolarHBondContact O-N 3.01Å; T245-M247 PolarHBondContact O-N 2.8Å; T245-M247 VanDerWaalsContact O-N 3.15Å; T245-D248 WeakPolarHBondContact CA-OD2 3.47Å; T245-D248 VanDerWaalsContact CB-OD2 3.31Å; T245-D248 WeakPolarHBondContact CB-OD2 3.36Å; T245-D248 WeakPolarHBondContact CG2-OD2 3.36Å; T245-D248 VanDerWaalsContact O-CB 3.3Å; T245-D248 WeakPolarHBondContact O-CB 3.41Å; T245-D248 PolarHBondContact O-N 2.66Å; T245-D248 VanDerWaalsContact O-N 3.1Å; T245-Y249 WeakPolarHBondContact O-CD2 3.1Å
246	C	93.8	Very high	92.9	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-58.1	-33.5	-176.6	-71.7	0	0	0	0	114.2	C240 W241 D248 Y249 H250 I421	C240-C246 HydrophobicContact CB-CB 4.05Å; C240-C246 WeakPolarHBondContact CB-SG 3.31Å; C240-C246 PolarHBondContact O-N 3.39Å; C240-C246 PolarHBondContact O-SG 3.39Å; C240-C246 WeakPolarHBondContact SG-CA 3.43Å; C240-C246 WeakPolarHBondContact SG-CB 3.45Å; C240-C246 CovalentContact SG-SG 2.04Å; C240-C246 PolarHBondContact SG-SG 2.89Å; W241-C246 VanDerWaalsContact CD1-SG 3.55Å; W241-C246 HydrophobicContact CD2-CB 3.96Å; W241-C246 HydrophobicContact CE3-CB 4Å; W241-C246 HydrophobicContact CH2-CB 4.1Å; W241-C246 HydrophobicContact CZ2-CB 4.09Å; W241-C246 HydrophobicContact CZ3-CB 4.06Å; W241-C246 PolarHBondContact N-SG 3.4Å; C246-D248 VanDerWaalsContact C-N 3.25Å; C246-D248 PolarHBondContact O-N 3.46Å; C246-Y249 PolarHBondContact O-N 3.25Å; C246-H250 WeakPolarHBondContact O-CB 3.4Å; C246-H250 PolarHBondContact O-N 3.35Å; C246-I421 HydrophobicContact CB-CG1 4.01Å
247	M	94.4	Very high	93.1	Very high	6 Å²	6	32.7 Å²	32.7	3%	0.03	16%	0.161	C	C	.	.	H	α-helix	trans	-69.9	-21.4	-178.7	-61	-56.2	-58.8	0	0	113.2	W241 T245 Y249 H250 Y251 H272 E275 T276	W241-M247 HydrophobicContact CH2-SD 4.41Å; T245-M247 PolarHBondContact O-N 2.8Å; T245-M247 VanDerWaalsContact O-N 3.15Å; M247-Y249 PolarHBondContact O-N 2.83Å; M247-H250 HydrophobicContact SD-CB 4.29Å; M247-Y251 HydrophobicContact CE-CD2 4.23Å; M247-Y251 HydrophobicContact CE-CE1 4.03Å; M247-Y251 HydrophobicContact CE-CE2 3.42Å; M247-Y251 VanDerWaalsContact CE-CE2 3.42Å; M247-Y251 WeakPolarHBondContact CE-OH 3.32Å; M247-H272 HydrophobicContact CB-CB 3.9Å; M247-E275 HydrophobicContact CG-CB 4.18Å; M247-T276 VanDerWaalsContact CG-OG1 3.23Å; M247-T276 WeakPolarHBondContact CG-OG1 3.34Å
248	D	93.6	Very high	93.5	Very high	43 Å²	43	31.2 Å²	31.2	23%	0.23	15%	0.145	C	C	.	.	H	α-helix	trans	-59.7	-28	172.4	-56.7	-38.9	0	0	0	111.6	T245 C246 H265 H272	T245-D248 WeakPolarHBondContact CA-OD2 3.47Å; T245-D248 VanDerWaalsContact CB-OD2 3.31Å; T245-D248 WeakPolarHBondContact CB-OD2 3.36Å; T245-D248 WeakPolarHBondContact CG2-OD2 3.36Å; T245-D248 VanDerWaalsContact O-CB 3.3Å; T245-D248 WeakPolarHBondContact O-CB 3.41Å; T245-D248 PolarHBondContact O-N 2.66Å; T245-D248 VanDerWaalsContact O-N 3.1Å; C246-D248 VanDerWaalsContact C-N 3.25Å; C246-D248 PolarHBondContact O-N 3.46Å; D248-H265 PolarHBondContact O-CE1 3.14Å; D248-H265 PolarHBondContact O-ND1 3.23Å; D248-H272 VanDerWaalsContact OD1-CB 3.31Å; D248-H272 WeakPolarHBondContact OD1-CB 3.49Å; D248-H272 IonicContact OD1-CD2 2.7Å; D248-H272 PolarHBondContact OD1-CD2 2.99Å; D248-H272 VanDerWaalsContact OD1-CD2 3.26Å; D248-H272 IonicContact OD1-CG 3.61Å
249	Y	93.8	Very high	93.7	Very high	84 Å²	84	30.9 Å²	30.9	33%	0.329	14%	0.144	S	C	.	.	H	α-helix	trans	-105.2	-41.4	-179.4	-51.2	-84.7	0	0	0	113	T245 C246 M247 Y251 E252 T253 K423	T245-Y249 WeakPolarHBondContact O-CD2 3.1Å; C246-Y249 PolarHBondContact O-N 3.25Å; M247-Y249 PolarHBondContact O-N 2.83Å; Y249-Y251 VanDerWaalsContact C-N 3.27Å; Y249-Y251 PolarHBondContact O-N 2.88Å; Y249-Y251 VanDerWaalsContact O-N 3.09Å; Y249-E252 PolarHBondContact O-N 2.89Å; Y249-T253 PolarHBondContact O-N 2.64Å; Y249-T253 VanDerWaalsContact O-N 3.16Å; Y249-T253 PolarHBondContact O-OG1 3Å; Y249-K423 HydrophobicContact CD1-CB 3.76Å; Y249-K423 HydrophobicContact CD1-CG 4.05Å; Y249-K423 WeakPolarHBondContact CD1-O 3.49Å; Y249-K423 HydrophobicContact CD2-CG 4.37Å; Y249-K423 HydrophobicContact CE1-CB 3.9Å; Y249-K423 HydrophobicContact CE1-CG 4.13Å; Y249-K423 HydrophobicContact CE2-CG 4.47Å; Y249-K423 HydrophobicContact CG-CB 4.31Å; Y249-K423 HydrophobicContact CG-CG 4.17Å
250	H	94	Very high	93.8	Very high	18 Å²	18	29 Å²	29	8%	0.083	14%	0.136	C	C	.	.	H	α-helix	trans	-54.3	-38.3	-164.4	-177.9	58.8	0	0	0	114	C246 M247 E252 T253 Q254 F418 I421	C246-H250 WeakPolarHBondContact O-CB 3.4Å; C246-H250 PolarHBondContact O-N 3.35Å; M247-H250 HydrophobicContact SD-CB 4.29Å; H250-E252 VanDerWaalsContact C-N 3.31Å; H250-E252 PolarHBondContact O-N 3.12Å; H250-T253 PolarHBondContact O-N 3.47Å; H250-Q254 VanDerWaalsContact O-CB 3.24Å; H250-Q254 WeakPolarHBondContact O-CB 3.4Å; H250-Q254 WeakPolarHBondContact O-CG 3.36Å; H250-Q254 PolarHBondContact O-N 3.28Å; H250-F418 AromaticContact CE1-CD1 3.82Å; H250-F418 AromaticContact CE1-CD2 3.82Å; H250-F418 AromaticContact CE1-CE1 3.97Å; H250-F418 AromaticContact CE1-CE2 3.97Å; H250-F418 AromaticContact CE1-CG 3.75Å; H250-I421 HydrophobicContact CB-CD1 4.35Å
251	Y	94.6	Very high	93.9	Very high	6 Å²	6	28.9 Å²	28.9	2%	0.024	14%	0.136	C	C	.	.	H	α-helix	trans	-64	-31.6	-178.3	-74	-56.8	0	0	0	114.6	M247 Y249 Q254 M264 H272 E275 F530	M247-Y251 HydrophobicContact CE-CD2 4.23Å; M247-Y251 HydrophobicContact CE-CE1 4.03Å; M247-Y251 HydrophobicContact CE-CE2 3.42Å; M247-Y251 VanDerWaalsContact CE-CE2 3.42Å; M247-Y251 WeakPolarHBondContact CE-OH 3.32Å; Y249-Y251 VanDerWaalsContact C-N 3.27Å; Y249-Y251 PolarHBondContact O-N 2.88Å; Y249-Y251 VanDerWaalsContact O-N 3.09Å; Y251-Q254 PolarHBondContact O-NE2 3.45Å; Y251-M264 HydrophobicContact CD1-CB 4.16Å; Y251-M264 HydrophobicContact CD2-CB 4.03Å; Y251-M264 HydrophobicContact CE1-CB 4.1Å; Y251-M264 HydrophobicContact CE1-CE 4.3Å; Y251-M264 HydrophobicContact CE1-SD 4.18Å; Y251-M264 HydrophobicContact CE2-CB 3.92Å; Y251-M264 HydrophobicContact CE2-CE 4.44Å; Y251-M264 HydrophobicContact CG-CB 4.15Å; Y251-M264 VanDerWaalsContact OH-CE 3.27Å; Y251-M264 WeakPolarHBondContact OH-CE 3.14Å; Y251-H272 AromaticContact CD2-CE1 3.69Å; Y251-H272 AromaticContact CE2-CE1 3.64Å; Y251-H272 AromaticContact CE2-ND1 3.96Å; Y251-E275 PolarHBondContact OH-OE1 3.45Å; Y251-F530 WeakPolarHBondContact O-CE2 3.28Å
252	E	94.8	Very high	93.9	Very high	11 Å²	11	29.1 Å²	29.1	5%	0.051	14%	0.137	C	C	.	.	H	α-helix	trans	-86.2	-35.4	175.8	-174.7	175.6	94.8	0	0	111.6	Y249 H250 H265 R425 K529 F530 W544	Y249-E252 PolarHBondContact O-N 2.89Å; H250-E252 VanDerWaalsContact C-N 3.31Å; H250-E252 PolarHBondContact O-N 3.12Å; E252-H265 IonicContact OE2-NE2 3.83Å; E252-R425 HydrophobicContact CG-CB 4.34Å; E252-K529 VanDerWaalsContact OE2-CA 3.28Å; E252-K529 WeakPolarHBondContact OE2-CA 3.35Å; E252-F530 HydrophobicContact CB-CD2 3.84Å; E252-F530 HydrophobicContact CB-CE2 3.9Å; E252-F530 HydrophobicContact CG-CD2 3.95Å; E252-F530 HydrophobicContact CG-CE2 4.29Å; E252-F530 HydrophobicContact CG-CG 4.35Å; E252-F530 PolarHBondContact OE2-N 2.88Å; E252-W544 HydrophobicContact CG-CZ3 4.43Å
253	T	93.4	Very high	94	Very high	4 Å²	4	27.4 Å²	27.4	3%	0.025	13%	0.131	C	C	.	.	H	α-helix	trans	-95.6	-15.3	-169.8	66	0	0	0	0	115.3	Y249 H250 T422 R425 W476	Y249-T253 PolarHBondContact O-N 2.64Å; Y249-T253 VanDerWaalsContact O-N 3.16Å; Y249-T253 PolarHBondContact O-OG1 3Å; H250-T253 PolarHBondContact O-N 3.47Å; T253-T422 VanDerWaalsContact CB-O 3.24Å; T253-T422 WeakPolarHBondContact CB-O 3.45Å; T253-T422 WeakPolarHBondContact CG2-O 3.43Å; T253-T422 PolarHBondContact OG1-O 3.03Å; T253-R425 HydrophobicContact CG2-CB 4.43Å; T253-R425 PolarHBondContact O-NH1 3.03Å; T253-W476 PolarHBondContact O-NE1 3.23Å
254	Q	91.8	Very high	94	Very high	4 Å²	4	24.5 Å²	24.5	2%	0.019	12%	0.115	C	C	.	.	S	Bend	trans	-52.1	149	174.7	61.1	174.5	-50	0	0	114	H250 Y251 V256 P257 S261 G315 R425	H250-Q254 VanDerWaalsContact O-CB 3.24Å; H250-Q254 WeakPolarHBondContact O-CB 3.4Å; H250-Q254 WeakPolarHBondContact O-CG 3.36Å; H250-Q254 PolarHBondContact O-N 3.28Å; Y251-Q254 PolarHBondContact O-NE2 3.45Å; Q254-V256 PolarHBondContact O-N 3.41Å; Q254-P257 HydrophobicContact CG-CB 3.95Å; Q254-S261 PolarHBondContact NE2-OG 2.82Å; Q254-G315 VanDerWaalsContact OE1-CA 3.22Å; Q254-R425 PolarHBondContact O-NH1 2.7Å
255	P	89.8	Confident	94	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.006	11%	0.11	C	C	.	.	S	Bend	trans	-47.8	-56.9	-167.7	-30.6	35.5	0	0	0	115.9	F418 R425 W473 W476	P255-F418 HydrophobicContact CG-CE1 4.25Å; P255-F418 HydrophobicContact CG-CZ 4.33Å; P255-R425 PolarHBondContact O-NH1 3.28Å; P255-R425 PolarHBondContact O-NH2 3.02Å; P255-W473 HydrophobicContact CB-CD2 3.8Å; P255-W473 VanDerWaalsContact CB-CE2 3.49Å; P255-W473 HydrophobicContact CB-CE3 4.11Å; P255-W473 HydrophobicContact CB-CG 4.41Å; P255-W473 HydrophobicContact CB-CH2 3.93Å; P255-W473 HydrophobicContact CB-CZ2 3.6Å; P255-W473 HydrophobicContact CB-CZ3 4.17Å; P255-W473 HydrophobicContact CG-CD2 4.48Å; P255-W473 HydrophobicContact CG-CH2 4.02Å; P255-W473 HydrophobicContact CG-CZ2 3.44Å; P255-W473 VanDerWaalsContact CG-CZ2 3.44Å; P255-W476 HydrophobicContact CB-CD2 3.83Å; P255-W476 HydrophobicContact CB-CE3 4.03Å; P255-W476 HydrophobicContact CB-CG 4.11Å; P255-W476 HydrophobicContact CG-CD2 3.78Å; P255-W476 HydrophobicContact CG-CE3 3.71Å; P255-W476 HydrophobicContact CG-CH2 3.8Å; P255-W476 HydrophobicContact CG-CZ2 3.84Å; P255-W476 HydrophobicContact CG-CZ3 3.73Å
256	V	91.9	Very high	93.9	Very high	2 Å²	2	26.3 Å²	26.3	1%	0.012	12%	0.116	C	C	.	.	B	Isolated β-bridge	trans	-129.8	92.3	176.8	-175.9	0	0	0	0	108.9	Q254 N316 C452 I464 W473	Q254-V256 PolarHBondContact O-N 3.41Å; V256-N316 HydrophobicContact CB-CB 4.25Å; V256-N316 HydrophobicContact CG1-CB 4.32Å; V256-N316 VanDerWaalsContact O-CB 3.26Å; V256-N316 WeakPolarHBondContact O-CB 3.3Å; V256-N316 PolarHBondContact O-N 3.31Å; V256-N316 PolarHBondContact O-ND2 2.96Å; V256-C452 HydrophobicContact CG1-CB 3.69Å; V256-I464 HydrophobicContact CG1-CD1 4.16Å; V256-W473 HydrophobicContact CG2-CE3 4.3Å
257	P	93.9	Very high	93.9	Very high	2 Å²	2	27.9 Å²	27.9	1%	0.013	13%	0.128	C	C	.	.			trans	-66.8	160.1	178.1	26.8	-30.6	0	0	0	111.4	Q254 N316 P461 F530 W544	Q254-P257 HydrophobicContact CG-CB 3.95Å; P257-N316 PolarHBondContact O-ND2 3.34Å; P257-P461 WeakPolarHBondContact O-CB 3.12Å; P257-F530 HydrophobicContact CB-CZ 3.91Å; P257-F530 HydrophobicContact CG-CE1 4.46Å; P257-F530 HydrophobicContact CG-CZ 4.22Å; P257-W544 HydrophobicContact CG-CH2 3.79Å; P257-W544 HydrophobicContact CG-CZ2 3.92Å
258	N	93.9	Very high	94	Very high	2 Å²	2	30.7 Å²	30.7	1%	0.011	15%	0.147	C	C	.	.			trans	-117	175.8	179.3	84.5	12.6	0	0	0	110.9	M260 S261 I313 G315 N316 C462 L463	N258-M260 PolarHBondContact O-N 2.91Å; N258-M260 WeakPolarHBondContact OD1-CA 3.36Å; N258-M260 VanDerWaalsContact OD1-CB 3.26Å; N258-M260 WeakPolarHBondContact OD1-CB 3.44Å; N258-M260 PolarHBondContact OD1-N 3.02Å; N258-S261 PolarHBondContact N-OG 3.05Å; N258-S261 VanDerWaalsContact O-CB 3.3Å; N258-S261 WeakPolarHBondContact O-CB 3.23Å; N258-S261 PolarHBondContact O-N 3.35Å; N258-S261 VanDerWaalsContact O-N 3.16Å; N258-S261 PolarHBondContact O-OG 3.49Å; N258-S261 PolarHBondContact OD1-N 3.49Å; N258-S261 PolarHBondContact OD1-OG 3.28Å; N258-S261 VanDerWaalsContact OD1-OG 3.11Å; N258-I313 PolarHBondContact ND2-O 3.07Å; N258-G315 PolarHBondContact ND2-N 2.8Å; N258-N316 WeakPolarHBondContact CB-ND2 3.16Å; N258-C462 WeakPolarHBondContact CA-O 3.38Å; N258-C462 WeakPolarHBondContact CB-O 3.41Å; N258-L463 HydrophobicContact CB-CD1 4.48Å
259	P	94.4	Very high	94	Very high	20 Å²	20	36.3 Å²	36.3	13%	0.13	16%	0.164	C	C	.	.	H	α-helix	trans	-59.5	-30.1	-179.8	-25.5	34.1	0	0	0	114.6	Y263 R460 P461	P259-Y263 WeakPolarHBondContact O-CD2 3.36Å; P259-Y263 WeakPolarHBondContact O-CE2 3.4Å; P259-R460 HydrophobicContact CG-CG 4.43Å; P259-P461 VanDerWaalsContact CD-O 3.29Å; P259-P461 WeakPolarHBondContact CD-O 3.5Å; P259-P461 VanDerWaalsContact CG-O 3.24Å; P259-P461 WeakPolarHBondContact CG-O 3.23Å
260	M	95.4	Very high	94	Very high	86 Å²	86	39.3 Å²	39.3	42%	0.424	18%	0.175	S	C	.	.	H	α-helix	trans	-74	-36.4	178.1	-168.2	62.8	-176.9	0	0	111.1	N258 Y262 Y263 M264 I313	N258-M260 PolarHBondContact O-N 2.91Å; N258-M260 WeakPolarHBondContact OD1-CA 3.36Å; N258-M260 VanDerWaalsContact OD1-CB 3.26Å; N258-M260 WeakPolarHBondContact OD1-CB 3.44Å; N258-M260 PolarHBondContact OD1-N 3.02Å; M260-Y262 PolarHBondContact O-N 2.92Å; M260-Y263 PolarHBondContact O-N 3.27Å; M260-M264 HydrophobicContact CE-CG 3.93Å; M260-M264 HydrophobicContact CE-SD 4.15Å; M260-M264 HydrophobicContact CG-CG 3.99Å; M260-M264 HydrophobicContact CG-SD 3.8Å; M260-M264 WeakPolarHBondContact O-CG 3.35Å; M260-M264 PolarHBondContact O-N 3.33Å; M260-I313 VanDerWaalsContact CB-O 3.29Å; M260-I313 WeakPolarHBondContact CB-O 3.33Å; M260-I313 HydrophobicContact CG-CG2 4.17Å
261	S	95.1	Very high	94.1	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-53.9	-40.9	175.5	-41.1	0	0	0	0	112.5	Q254 N258 Y263 M264 H265 S314	Q254-S261 PolarHBondContact NE2-OG 2.82Å; N258-S261 PolarHBondContact N-OG 3.05Å; N258-S261 VanDerWaalsContact O-CB 3.3Å; N258-S261 WeakPolarHBondContact O-CB 3.23Å; N258-S261 PolarHBondContact O-N 3.35Å; N258-S261 VanDerWaalsContact O-N 3.16Å; N258-S261 PolarHBondContact O-OG 3.49Å; N258-S261 PolarHBondContact OD1-N 3.49Å; N258-S261 PolarHBondContact OD1-OG 3.28Å; N258-S261 VanDerWaalsContact OD1-OG 3.11Å; S261-Y263 VanDerWaalsContact C-N 3.32Å; S261-Y263 PolarHBondContact O-N 3.32Å; S261-M264 PolarHBondContact O-N 3.2Å; S261-H265 WeakPolarHBondContact O-CB 3.22Å; S261-H265 PolarHBondContact O-N 3.3Å; S261-S314 PolarHBondContact OG-O 3Å
262	Y	95.2	Very high	94.2	Very high	9 Å²	9	41.4 Å²	41.4	4%	0.035	18%	0.184	C	C	.	.	H	α-helix	trans	-59.6	-39	176.7	169.5	-95.3	0	0	0	112.8	M260 F530 S531 P533 W543	M260-Y262 PolarHBondContact O-N 2.92Å; Y262-F530 HydrophobicContact CD2-CB 3.83Å; Y262-F530 AromaticContact CD2-CD1 3.65Å; Y262-F530 HydrophobicContact CD2-CD1 3.65Å; Y262-F530 HydrophobicContact CD2-CD2 4.48Å; Y262-F530 HydrophobicContact CD2-CE1 4.25Å; Y262-F530 AromaticContact CD2-CG 3.77Å; Y262-F530 HydrophobicContact CD2-CG 3.77Å; Y262-F530 HydrophobicContact CE2-CB 4.11Å; Y262-F530 HydrophobicContact CG-CD1 4.48Å; Y262-S531 VanDerWaalsContact CE2-O 3.26Å; Y262-S531 WeakPolarHBondContact CE2-O 3.15Å; Y262-S531 WeakPolarHBondContact CE2-OG 3.4Å; Y262-S531 PolarHBondContact OH-OG 3.41Å; Y262-P533 HydrophobicContact CE1-CG 3.83Å; Y262-W543 AromaticContact CD1-CE3 3.9Å; Y262-W543 HydrophobicContact CD1-CE3 3.9Å; Y262-W543 AromaticContact CD1-CZ3 3.57Å; Y262-W543 HydrophobicContact CD1-CZ3 3.57Å; Y262-W543 HydrophobicContact CD2-CE3 4.03Å; Y262-W543 HydrophobicContact CE1-CE3 4.18Å; Y262-W543 AromaticContact CE1-CZ3 3.99Å; Y262-W543 HydrophobicContact CE1-CZ3 3.99Å; Y262-W543 HydrophobicContact CE2-CE3 4.32Å; Y262-W543 AromaticContact CG-CE3 3.82Å; Y262-W543 HydrophobicContact CG-CE3 3.82Å; Y262-W543 AromaticContact CG-CZ3 3.88Å; Y262-W543 HydrophobicContact CG-CZ3 3.88Å
263	Y	94.8	Very high	94.2	Very high	119 Å²	119	46.1 Å²	46.1	47%	0.467	20%	0.202	S	C	.	.	H	α-helix	trans	-80	-41.1	175.9	-61.5	-70.8	0	0	0	112.2	P259 M260 S261 H265 R266 P533	P259-Y263 WeakPolarHBondContact O-CD2 3.36Å; P259-Y263 WeakPolarHBondContact O-CE2 3.4Å; M260-Y263 PolarHBondContact O-N 3.27Å; S261-Y263 VanDerWaalsContact C-N 3.32Å; S261-Y263 PolarHBondContact O-N 3.32Å; Y263-H265 VanDerWaalsContact C-N 3.32Å; Y263-H265 PolarHBondContact O-N 3.06Å; Y263-R266 WeakPolarHBondContact O-CB 3.44Å; Y263-R266 PolarHBondContact O-N 3.42Å; Y263-P533 HydrophobicContact CD1-CG 4.41Å
264	M	95.1	Very high	94.4	Very high	20 Å²	20	51.8 Å²	51.8	10%	0.099	23%	0.226	C	C	.	.	H	α-helix	trans	-64.5	-34.5	-179.8	-69	-174.5	77.6	0	0	112.4	Y251 M260 S261 R266 S267 F271 H272 E275 S314	Y251-M264 HydrophobicContact CD1-CB 4.16Å; Y251-M264 HydrophobicContact CD2-CB 4.03Å; Y251-M264 HydrophobicContact CE1-CB 4.1Å; Y251-M264 HydrophobicContact CE1-CE 4.3Å; Y251-M264 HydrophobicContact CE1-SD 4.18Å; Y251-M264 HydrophobicContact CE2-CB 3.92Å; Y251-M264 HydrophobicContact CE2-CE 4.44Å; Y251-M264 HydrophobicContact CG-CB 4.15Å; Y251-M264 VanDerWaalsContact OH-CE 3.27Å; Y251-M264 WeakPolarHBondContact OH-CE 3.14Å; M260-M264 HydrophobicContact CE-CG 3.93Å; M260-M264 HydrophobicContact CE-SD 4.15Å; M260-M264 HydrophobicContact CG-CG 3.99Å; M260-M264 HydrophobicContact CG-SD 3.8Å; M260-M264 WeakPolarHBondContact O-CG 3.35Å; M260-M264 PolarHBondContact O-N 3.33Å; S261-M264 PolarHBondContact O-N 3.2Å; M264-R266 PolarHBondContact O-N 3.19Å; M264-S267 VanDerWaalsContact O-CB 3.27Å; M264-S267 WeakPolarHBondContact O-CB 3.12Å; M264-S267 PolarHBondContact O-N 3.46Å; M264-S267 PolarHBondContact O-OG 3.17Å; M264-F271 HydrophobicContact CE-CE1 4.38Å; M264-H272 PolarHBondContact O-CE1 3.03Å; M264-H272 PolarHBondContact O-NE2 3.16Å; M264-E275 WeakPolarHBondContact CE-OE1 3.45Å; M264-S314 WeakPolarHBondContact SD-CB 3.39Å
265	H	95.4	Very high	94.5	Very high	30 Å²	30	52.6 Å²	52.6	14%	0.139	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-6.6	170.7	-177.2	56.8	0	0	0	114.4	D248 E252 S261 Y263 F530	D248-H265 PolarHBondContact O-CE1 3.14Å; D248-H265 PolarHBondContact O-ND1 3.23Å; E252-H265 IonicContact OE2-NE2 3.83Å; S261-H265 WeakPolarHBondContact O-CB 3.22Å; S261-H265 PolarHBondContact O-N 3.3Å; Y263-H265 VanDerWaalsContact C-N 3.32Å; Y263-H265 PolarHBondContact O-N 3.06Å; H265-F530 HydrophobicContact CB-CD2 3.98Å; H265-F530 HydrophobicContact CB-CE2 4.08Å; H265-F530 AromaticContact CD2-CD2 3.63Å; H265-F530 AromaticContact CG-CD2 3.94Å
266	R	93.3	Very high	94.8	Very high	85 Å²	85	52.5 Å²	52.5	32%	0.321	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.4	8.1	175.5	-54.7	-59.8	-178.9	-147.7	-0.2	112.8	Y263 M264 F530 S531 P533	Y263-R266 WeakPolarHBondContact O-CB 3.44Å; Y263-R266 PolarHBondContact O-N 3.42Å; M264-R266 PolarHBondContact O-N 3.19Å; R266-F530 PolarHBondContact NH2-O 3.39Å; R266-S531 PolarHBondContact NE-O 2.83Å; R266-S531 PolarHBondContact NH2-O 3.1Å; R266-P533 HydrophobicContact CG-CG 4.23Å
267	S	94.2	Very high	95	Very high	34 Å²	34	57.3 Å²	57.3	24%	0.238	26%	0.255	C	S	.	.	S	Bend	trans	-64.7	153.7	172.5	-66.3	0	0	0	0	111.9	M264 F271	M264-S267 VanDerWaalsContact O-CB 3.27Å; M264-S267 WeakPolarHBondContact O-CB 3.12Å; M264-S267 PolarHBondContact O-N 3.46Å; M264-S267 PolarHBondContact O-OG 3.17Å; S267-F271 VanDerWaalsContact CB-CD1 3.48Å; S267-F271 WeakPolarHBondContact OG-CD1 3.47Å
268	P	94.9	Very high	95.1	Very high	65 Å²	65	58.7 Å²	58.7	42%	0.422	27%	0.265	S	S	.	.			trans	-63.2	149.9	174.2	-23.2	34.9	0	0	0	112.8	W270 F271 H272	P268-W270 HydrophobicContact CB-CD2 4.43Å; P268-W270 HydrophobicContact CB-CG 4.22Å; P268-W270 VanDerWaalsContact CB-NE1 3.32Å; P268-W270 HydrophobicContact CG-CZ2 4.29Å; P268-W270 PolarHBondContact O-N 3.47Å; P268-F271 WeakPolarHBondContact O-CA 3.43Å; P268-F271 VanDerWaalsContact O-CB 3.28Å; P268-F271 WeakPolarHBondContact O-CB 3.47Å; P268-F271 PolarHBondContact O-N 2.84Å; P268-H272 PolarHBondContact O-N 3.21Å
269	W	93.4	Very high	95.2	Very high	160 Å²	160	59.2 Å²	59.2	61%	0.606	27%	0.267	S	S	*	.	H	α-helix	trans	-51.9	-32.5	178.7	66.1	-96.1	0	0	0	114.3	F271 H272 R273	W269-F271 VanDerWaalsContact C-N 3.29Å; W269-F271 PolarHBondContact O-N 3.06Å; W269-H272 PolarHBondContact O-N 3.37Å; W269-R273 WeakPolarHBondContact O-CG 3.35Å; W269-R273 PolarHBondContact O-N 3.2Å
270	W	95.2	Very high	95.2	Very high	148 Å²	148	59.3 Å²	59.3	56%	0.561	27%	0.266	S	S	*	.	H	α-helix	trans	-68.8	-30.4	178.8	63.7	-105.8	0	0	0	112	P268 F274	P268-W270 HydrophobicContact CB-CD2 4.43Å; P268-W270 HydrophobicContact CB-CG 4.22Å; P268-W270 VanDerWaalsContact CB-NE1 3.32Å; P268-W270 HydrophobicContact CG-CZ2 4.29Å; P268-W270 PolarHBondContact O-N 3.47Å; W270-F274 WeakPolarHBondContact O-CB 3.28Å; W270-F274 PolarHBondContact O-N 3.38Å
271	F	95.9	Very high	95.3	Very high	63 Å²	63	59.3 Å²	59.3	28%	0.276	26%	0.264	S	S	.	.	H	α-helix	trans	-71.7	-46.7	175.8	-174.5	-100.7	0	0	0	110	M264 S267 P268 W269 R273 F274 E275	M264-F271 HydrophobicContact CE-CE1 4.38Å; S267-F271 VanDerWaalsContact CB-CD1 3.48Å; S267-F271 WeakPolarHBondContact OG-CD1 3.47Å; P268-F271 WeakPolarHBondContact O-CA 3.43Å; P268-F271 VanDerWaalsContact O-CB 3.28Å; P268-F271 WeakPolarHBondContact O-CB 3.47Å; P268-F271 PolarHBondContact O-N 2.84Å; W269-F271 VanDerWaalsContact C-N 3.29Å; W269-F271 PolarHBondContact O-N 3.06Å; F271-R273 VanDerWaalsContact C-N 3.31Å; F271-R273 PolarHBondContact O-N 3.18Å; F271-F274 CarbonylContact O-C 3.56Å; F271-F274 WeakPolarHBondContact O-CA 3.31Å; F271-F274 WeakPolarHBondContact O-CB 3.48Å; F271-F274 PolarHBondContact O-N 3.31Å; F271-E275 HydrophobicContact CD1-CG 4.03Å; F271-E275 HydrophobicContact CE1-CG 3.86Å; F271-E275 WeakPolarHBondContact CE1-OE1 3.23Å; F271-E275 HydrophobicContact CZ-CG 4.26Å; F271-E275 WeakPolarHBondContact O-CG 3.41Å; F271-E275 PolarHBondContact O-N 2.69Å
272	H	95.6	Very high	95.4	Very high	4 Å²	4	60.5 Å²	60.5	2%	0.019	27%	0.27	C	S	.	.	H	α-helix	trans	-60.7	-35.4	175.3	-72.7	-30.8	0	0	0	113.7	M247 D248 Y251 M264 P268 W269 E275 T276	M247-H272 HydrophobicContact CB-CB 3.9Å; D248-H272 VanDerWaalsContact OD1-CB 3.31Å; D248-H272 WeakPolarHBondContact OD1-CB 3.49Å; D248-H272 IonicContact OD1-CD2 2.7Å; D248-H272 PolarHBondContact OD1-CD2 2.99Å; D248-H272 VanDerWaalsContact OD1-CD2 3.26Å; D248-H272 IonicContact OD1-CG 3.61Å; Y251-H272 AromaticContact CD2-CE1 3.69Å; Y251-H272 AromaticContact CE2-CE1 3.64Å; Y251-H272 AromaticContact CE2-ND1 3.96Å; M264-H272 PolarHBondContact O-CE1 3.03Å; M264-H272 PolarHBondContact O-NE2 3.16Å; P268-H272 PolarHBondContact O-N 3.21Å; W269-H272 PolarHBondContact O-N 3.37Å; H272-E275 IonicContact CE1-OE2 3.23Å; H272-E275 IonicContact CG-OE2 3.26Å; H272-E275 IonicContact ND1-OE2 2.76Å; H272-E275 PolarHBondContact ND1-OE2 3.02Å; H272-T276 WeakPolarHBondContact O-CB 3.18Å; H272-T276 PolarHBondContact O-N 3.02Å; H272-T276 PolarHBondContact O-OG1 2.91Å
273	R	96.4	Very high	95.5	Very high	111 Å²	111	60.4 Å²	60.4	42%	0.419	27%	0.27	S	S	.	.	H	α-helix	trans	-67.4	-40.1	170.1	-70.1	-175.4	-173.4	-179.2	2.4	112.6	L244 W269 F271 T276 L277	L244-R273 HydrophobicContact CB-CB 4.14Å; L244-R273 HydrophobicContact CB-CG 3.89Å; L244-R273 WeakPolarHBondContact O-CG 3.42Å; W269-R273 WeakPolarHBondContact O-CG 3.35Å; W269-R273 PolarHBondContact O-N 3.2Å; F271-R273 VanDerWaalsContact C-N 3.31Å; F271-R273 PolarHBondContact O-N 3.18Å; R273-T276 PolarHBondContact O-N 3.21Å; R273-L277 WeakPolarHBondContact O-CB 3.35Å; R273-L277 PolarHBondContact O-N 2.88Å
274	F	96.3	Very high	95.6	Very high	122 Å²	122	56.2 Å²	56.2	54%	0.535	26%	0.255	S	S	.	.	H	α-helix	trans	-66.3	-41	175.7	171.6	-97	0	0	0	112.7	W270 F271 L277 S278	W270-F274 WeakPolarHBondContact O-CB 3.28Å; W270-F274 PolarHBondContact O-N 3.38Å; F271-F274 CarbonylContact O-C 3.56Å; F271-F274 WeakPolarHBondContact O-CA 3.31Å; F271-F274 WeakPolarHBondContact O-CB 3.48Å; F271-F274 PolarHBondContact O-N 3.31Å; F274-L277 PolarHBondContact O-N 3.41Å; F274-S278 VanDerWaalsContact O-CB 3.28Å; F274-S278 WeakPolarHBondContact O-CB 3.42Å; F274-S278 PolarHBondContact O-N 3.15Å; F274-S278 PolarHBondContact O-OG 3.15Å
275	E	95.3	Very high	95.7	Very high	21 Å²	21	59.5 Å²	59.5	10%	0.098	27%	0.272	C	S	.	.	H	α-helix	trans	-59.7	-46.8	171.1	-70.8	178.4	129.6	0	0	110.5	M247 Y251 M264 F271 H272 L277 S278 N279	M247-E275 HydrophobicContact CG-CB 4.18Å; Y251-E275 PolarHBondContact OH-OE1 3.45Å; M264-E275 WeakPolarHBondContact CE-OE1 3.45Å; F271-E275 HydrophobicContact CD1-CG 4.03Å; F271-E275 HydrophobicContact CE1-CG 3.86Å; F271-E275 WeakPolarHBondContact CE1-OE1 3.23Å; F271-E275 HydrophobicContact CZ-CG 4.26Å; F271-E275 WeakPolarHBondContact O-CG 3.41Å; F271-E275 PolarHBondContact O-N 2.69Å; H272-E275 IonicContact CE1-OE2 3.23Å; H272-E275 IonicContact CG-OE2 3.26Å; H272-E275 IonicContact ND1-OE2 2.76Å; H272-E275 PolarHBondContact ND1-OE2 3.02Å; E275-L277 PolarHBondContact O-N 3.32Å; E275-S278 PolarHBondContact O-N 2.79Å; E275-N279 VanDerWaalsContact O-CG 3.22Å; E275-N279 PolarHBondContact O-N 3.23Å; E275-N279 PolarHBondContact O-ND2 2.96Å
276	T	95.3	Very high	95.8	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-63.3	-41.2	178.3	-52	0	0	0	0	112.1	W241 L244 M247 H272 R273 N279 H280	W241-T276 HydrophobicContact CE3-CG2 3.73Å; W241-T276 HydrophobicContact CZ3-CG2 4Å; L244-T276 HydrophobicContact CB-CG2 4.3Å; L244-T276 HydrophobicContact CD2-CG2 3.79Å; L244-T276 PolarHBondContact O-OG1 3.09Å; M247-T276 VanDerWaalsContact CG-OG1 3.23Å; M247-T276 WeakPolarHBondContact CG-OG1 3.34Å; H272-T276 WeakPolarHBondContact O-CB 3.18Å; H272-T276 PolarHBondContact O-N 3.02Å; H272-T276 PolarHBondContact O-OG1 2.91Å; R273-T276 PolarHBondContact O-N 3.21Å; T276-N279 PolarHBondContact O-N 2.75Å; T276-H280 PolarHBondContact O-N 3.28Å; T276-H280 PolarHBondContact O-ND1 3.16Å
277	L	96.2	Very high	95.9	Very high	102 Å²	102	54.1 Å²	54.1	53%	0.534	25%	0.251	S	S	.	.	H	α-helix	trans	-66.1	-38.8	174.5	-176.7	61.6	0	0	0	112	R273 F274 E275 H280 F281	R273-L277 WeakPolarHBondContact O-CB 3.35Å; R273-L277 PolarHBondContact O-N 2.88Å; F274-L277 PolarHBondContact O-N 3.41Å; E275-L277 PolarHBondContact O-N 3.32Å; L277-H280 PolarHBondContact O-N 3.48Å; L277-F281 PolarHBondContact O-N 3.35Å
278	S	95.9	Very high	96.1	Very high	32 Å²	32	57.9 Å²	57.9	22%	0.224	26%	0.263	C	S	.	.	H	α-helix	trans	-66.1	-40.3	177.1	-62	0	0	0	0	111.9	F274 E275 H280 F281 I282	F274-S278 VanDerWaalsContact O-CB 3.28Å; F274-S278 WeakPolarHBondContact O-CB 3.42Å; F274-S278 PolarHBondContact O-N 3.15Å; F274-S278 PolarHBondContact O-OG 3.15Å; E275-S278 PolarHBondContact O-N 2.79Å; S278-H280 VanDerWaalsContact C-N 3.34Å; S278-H280 PolarHBondContact O-N 3.24Å; S278-F281 PolarHBondContact O-N 2.97Å; S278-I282 WeakPolarHBondContact O-CB 3.27Å; S278-I282 VanDerWaalsContact O-CG1 3.23Å; S278-I282 WeakPolarHBondContact O-CG1 3.43Å; S278-I282 PolarHBondContact O-N 3.19Å
279	N	95	Very high	96.2	Very high	13 Å²	13	56.4 Å²	56.4	7%	0.07	25%	0.25	C	S	.	.	H	α-helix	trans	-53.8	-51.6	171.1	-69.6	-24.4	0	0	0	110.5	E275 T276 F281 I282 E283 F307	E275-N279 VanDerWaalsContact O-CG 3.22Å; E275-N279 PolarHBondContact O-N 3.23Å; E275-N279 PolarHBondContact O-ND2 2.96Å; T276-N279 PolarHBondContact O-N 2.75Å; N279-F281 PolarHBondContact O-N 3.45Å; N279-I282 PolarHBondContact O-N 2.99Å; N279-E283 VanDerWaalsContact O-CB 3.28Å; N279-E283 WeakPolarHBondContact O-CB 3.44Å; N279-E283 WeakPolarHBondContact O-CG 3.27Å; N279-E283 PolarHBondContact O-N 3.09Å; N279-F307 WeakPolarHBondContact OD1-CE2 3.4Å; N279-F307 VanDerWaalsContact OD1-CZ 3.3Å; N279-F307 WeakPolarHBondContact OD1-CZ 3.49Å
280	H	96.1	Very high	96.4	Very high	22 Å²	22	49 Å²	49	10%	0.102	22%	0.222	C	C	.	.	H	α-helix	trans	-60	-43.1	178.2	-69.9	104.1	0	0	0	112.7	I235 W241 T276 L277 S278 L284	I235-H280 VanDerWaalsContact CG1-CD2 3.49Å; I235-H280 WeakPolarHBondContact CG1-CD2 3.43Å; I235-H280 WeakPolarHBondContact CG1-NE2 3.3Å; W241-H280 PolarHBondContact O-CE1 3.3Å; T276-H280 PolarHBondContact O-N 3.28Å; T276-H280 PolarHBondContact O-ND1 3.16Å; L277-H280 PolarHBondContact O-N 3.48Å; S278-H280 VanDerWaalsContact C-N 3.34Å; S278-H280 PolarHBondContact O-N 3.24Å; H280-L284 HydrophobicContact CB-CD1 4.46Å; H280-L284 WeakPolarHBondContact O-CB 3.22Å; H280-L284 PolarHBondContact O-N 3.13Å
281	F	97.1	Very high	96.4	Very high	86 Å²	86	47 Å²	47	38%	0.377	22%	0.218	S	C	.	.	I	π-helix	trans	-62.2	-46	176.2	175.8	-94.7	0	0	0	112.4	L277 S278 N279 I285 A286 F289	L277-F281 PolarHBondContact O-N 3.35Å; S278-F281 PolarHBondContact O-N 2.97Å; N279-F281 PolarHBondContact O-N 3.45Å; F281-I285 HydrophobicContact CD2-CB 3.93Å; F281-I285 HydrophobicContact CD2-CD1 3.91Å; F281-I285 HydrophobicContact CD2-CG1 4.49Å; F281-I285 HydrophobicContact CD2-CG2 4.05Å; F281-I285 HydrophobicContact CE2-CB 4.14Å; F281-I285 HydrophobicContact CE2-CG2 3.77Å; F281-I285 WeakPolarHBondContact O-CA 3.26Å; F281-I285 WeakPolarHBondContact O-CB 3.25Å; F281-I285 PolarHBondContact O-N 3.32Å; F281-A286 HydrophobicContact CE1-CB 4.46Å; F281-A286 PolarHBondContact O-N 3.41Å; F281-F289 HydrophobicContact CE2-CZ 4.46Å; F281-F289 HydrophobicContact CZ-CE2 4.1Å; F281-F289 AromaticContact CZ-CZ 3.96Å; F281-F289 HydrophobicContact CZ-CZ 3.96Å
282	I	97.4	Very high	96.4	Very high	24 Å²	24	49.2 Å²	49.2	12%	0.123	23%	0.232	C	C	.	.	I	π-helix	trans	-72.4	-34	-175.5	-64.8	167.5	0	0	0	111.9	M227 S278 N279 P287 I303 Q304 F307	M227-I282 HydrophobicContact CE-CG2 4.44Å; S278-I282 WeakPolarHBondContact O-CB 3.27Å; S278-I282 VanDerWaalsContact O-CG1 3.23Å; S278-I282 WeakPolarHBondContact O-CG1 3.43Å; S278-I282 PolarHBondContact O-N 3.19Å; N279-I282 PolarHBondContact O-N 2.99Å; I282-P287 WeakPolarHBondContact O-CD 3.22Å; I282-I303 HydrophobicContact CB-CG2 4.35Å; I282-I303 HydrophobicContact CD1-CG2 4.43Å; I282-I303 HydrophobicContact CG1-CG2 3.83Å; I282-I303 HydrophobicContact CG2-CG2 3.87Å; I282-Q304 PolarHBondContact O-NE2 3.22Å; I282-F307 HydrophobicContact CB-CD1 4.5Å; I282-F307 HydrophobicContact CB-CG 4.42Å; I282-F307 HydrophobicContact CD1-CB 4.17Å; I282-F307 HydrophobicContact CD1-CD2 3.62Å; I282-F307 HydrophobicContact CD1-CE2 4.21Å; I282-F307 HydrophobicContact CD1-CG 3.98Å; I282-F307 HydrophobicContact CG2-CB 3.84Å; I282-F307 HydrophobicContact CG2-CD1 3.56Å; I282-F307 HydrophobicContact CG2-CD2 4.25Å; I282-F307 HydrophobicContact CG2-CE1 4.12Å; I282-F307 HydrophobicContact CG2-CG 3.62Å
283	E	96.6	Very high	96.3	Very high	8 Å²	8	51.1 Å²	51.1	4%	0.037	25%	0.252	C	S	.	.	I	π-helix	trans	-88.8	-28.2	-177.9	-69.1	178.3	150.4	0	0	113.5	M227 L228 K234 N279 P287 F307	M227-E283 CarbonylContact C-O 3.6Å; M227-E283 HydrophobicContact CE-CG 3.72Å; M227-E283 VanDerWaalsContact O-O 3.08Å; L228-E283 WeakPolarHBondContact CA-O 3.24Å; L228-E283 PolarHBondContact N-O 2.73Å; K234-E283 WeakPolarHBondContact CD-OE2 3.4Å; K234-E283 WeakPolarHBondContact CE-OE2 3.25Å; K234-E283 IonicContact NZ-OE1 2.73Å; K234-E283 PolarHBondContact NZ-OE1 3.43Å; K234-E283 IonicContact NZ-OE2 2.66Å; K234-E283 PolarHBondContact NZ-OE2 2.66Å; N279-E283 VanDerWaalsContact O-CB 3.28Å; N279-E283 WeakPolarHBondContact O-CB 3.44Å; N279-E283 WeakPolarHBondContact O-CG 3.27Å; N279-E283 PolarHBondContact O-N 3.09Å; E283-P287 WeakPolarHBondContact O-CG 3.24Å; E283-F307 HydrophobicContact CG-CE1 4.11Å
284	L	96.1	Very high	96.1	Very high	31 Å²	31	51.4 Å²	51.4	16%	0.162	25%	0.254	C	S	.	.	I	π-helix	trans	-110.4	-31	-175.8	-61.2	169.4	0	0	0	114.8	L232 I235 H280 F288	L232-L284 HydrophobicContact CD2-CD2 3.89Å; L232-L284 HydrophobicContact CG-CD2 3.79Å; I235-L284 HydrophobicContact CD1-CD1 3.35Å; I235-L284 HydrophobicContact CG1-CD1 4.18Å; H280-L284 HydrophobicContact CB-CD1 4.46Å; H280-L284 WeakPolarHBondContact O-CB 3.22Å; H280-L284 PolarHBondContact O-N 3.13Å; L284-F288 VanDerWaalsContact O-CD2 3.26Å; L284-F288 WeakPolarHBondContact O-CD2 3.39Å; L284-F288 WeakPolarHBondContact O-CE2 3.43Å
285	I	97.3	Very high	96	Very high	89 Å²	89	52.7 Å²	52.7	46%	0.456	26%	0.261	S	S	.	.	I	π-helix	trans	-105.3	-51.4	-173.2	-62.3	171.2	0	0	0	110.9	F281 P287 F288 F289	F281-I285 HydrophobicContact CD2-CB 3.93Å; F281-I285 HydrophobicContact CD2-CD1 3.91Å; F281-I285 HydrophobicContact CD2-CG1 4.49Å; F281-I285 HydrophobicContact CD2-CG2 4.05Å; F281-I285 HydrophobicContact CE2-CB 4.14Å; F281-I285 HydrophobicContact CE2-CG2 3.77Å; F281-I285 WeakPolarHBondContact O-CA 3.26Å; F281-I285 WeakPolarHBondContact O-CB 3.25Å; F281-I285 PolarHBondContact O-N 3.32Å; I285-P287 VanDerWaalsContact C-N 3.33Å; I285-F288 PolarHBondContact O-N 3.43Å; I285-F288 VanDerWaalsContact O-N 3.16Å; I285-F289 HydrophobicContact CG2-CE1 4.22Å; I285-F289 HydrophobicContact CG2-CZ 4.32Å
286	A	97.3	Very high	96.1	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-54.7	-34.5	-179.6	0	0	0	0	0	115.1	F281 F288 F289 N300 I303	F281-A286 HydrophobicContact CE1-CB 4.46Å; F281-A286 PolarHBondContact O-N 3.41Å; A286-F288 PolarHBondContact O-N 3.09Å; A286-F289 HydrophobicContact CB-CD2 4.37Å; A286-F289 HydrophobicContact CB-CE2 4.41Å; A286-F289 WeakPolarHBondContact O-CB 3.36Å; A286-F289 WeakPolarHBondContact O-CG 3.41Å; A286-F289 PolarHBondContact O-N 2.83Å; A286-N300 VanDerWaalsContact O-CG 3.3Å; A286-N300 PolarHBondContact O-OD1 3.09Å; A286-N300 VanDerWaalsContact O-OD1 3.06Å; A286-I303 HydrophobicContact CB-CG2 4.13Å
287	P	96.9	Very high	96.2	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.006	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-61	-30.7	179.6	-25.8	37.6	0	0	0	113.5	V224 M227 L228 I282 E283 I285 F289 T290	V224-P287 HydrophobicContact CG1-CB 4.43Å; V224-P287 HydrophobicContact CG2-CB 4.25Å; M227-P287 HydrophobicContact CB-CG 3.66Å; L228-P287 HydrophobicContact CD2-CB 4.27Å; L228-P287 HydrophobicContact CD2-CG 4.23Å; L228-P287 HydrophobicContact CG-CB 4.15Å; L228-P287 HydrophobicContact CG-CG 4.34Å; I282-P287 WeakPolarHBondContact O-CD 3.22Å; E283-P287 WeakPolarHBondContact O-CG 3.24Å; I285-P287 VanDerWaalsContact C-N 3.33Å; P287-F289 PolarHBondContact O-N 3.04Å; P287-T290 WeakPolarHBondContact O-CB 3.46Å; P287-T290 PolarHBondContact O-N 3Å; P287-T290 PolarHBondContact O-OG1 3.36Å
288	F	97.1	Very high	96.2	Very high	113 Å²	113	51.6 Å²	51.6	50%	0.496	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-66.1	-23.8	177	-69.8	-73.6	0	0	0	113	L228 L284 I285 A286 T290 F291	L228-F288 HydrophobicContact CD1-CZ 4.38Å; L228-F288 HydrophobicContact CD2-CE2 3.93Å; L228-F288 HydrophobicContact CD2-CZ 4.26Å; L284-F288 VanDerWaalsContact O-CD2 3.26Å; L284-F288 WeakPolarHBondContact O-CD2 3.39Å; L284-F288 WeakPolarHBondContact O-CE2 3.43Å; I285-F288 PolarHBondContact O-N 3.43Å; I285-F288 VanDerWaalsContact O-N 3.16Å; A286-F288 PolarHBondContact O-N 3.09Å; F288-T290 PolarHBondContact O-N 3.02Å; F288-T290 VanDerWaalsContact O-N 3.09Å; F288-F291 HydrophobicContact CD1-CD2 4.41Å; F288-F291 HydrophobicContact CD1-CE2 4.47Å; F288-F291 WeakPolarHBondContact O-CD2 3.45Å; F288-F291 PolarHBondContact O-N 3.32Å
289	F	97.8	Very high	96.2	Very high	35 Å²	35	53.1 Å²	53.1	15%	0.154	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-60.8	-20.6	175.3	-60.8	-9.2	0	0	0	112.4	F281 I285 A286 P287 F291 L292 M296 C297 V299 N300 I303	F281-F289 HydrophobicContact CE2-CZ 4.46Å; F281-F289 HydrophobicContact CZ-CE2 4.1Å; F281-F289 AromaticContact CZ-CZ 3.96Å; F281-F289 HydrophobicContact CZ-CZ 3.96Å; I285-F289 HydrophobicContact CG2-CE1 4.22Å; I285-F289 HydrophobicContact CG2-CZ 4.32Å; A286-F289 HydrophobicContact CB-CD2 4.37Å; A286-F289 HydrophobicContact CB-CE2 4.41Å; A286-F289 WeakPolarHBondContact O-CB 3.36Å; A286-F289 WeakPolarHBondContact O-CG 3.41Å; A286-F289 PolarHBondContact O-N 2.83Å; P287-F289 PolarHBondContact O-N 3.04Å; F289-F291 PolarHBondContact O-N 2.86Å; F289-L292 HydrophobicContact CD1-CD1 3.9Å; F289-L292 PolarHBondContact O-N 3.27Å; F289-L292 VanDerWaalsContact O-N 3.14Å; F289-M296 HydrophobicContact CB-CB 4.03Å; F289-M296 HydrophobicContact CB-CE 4.15Å; F289-M296 WeakPolarHBondContact CB-O 3.41Å; F289-M296 HydrophobicContact CD1-CE 3.86Å; F289-M296 HydrophobicContact CD2-CE 3.69Å; F289-M296 HydrophobicContact CE1-CE 4.13Å; F289-M296 HydrophobicContact CE2-CE 3.97Å; F289-M296 HydrophobicContact CG-CE 3.63Å; F289-M296 HydrophobicContact CZ-CE 4.19Å; F289-M296 CarbonylContact O-C 3.58Å; F289-M296 WeakPolarHBondContact O-CB 3.41Å; F289-C297 PolarHBondContact O-N 3.09Å; F289-V299 HydrophobicContact CD2-CG1 4.36Å; F289-N300 HydrophobicContact CB-CB 4.11Å; F289-I303 HydrophobicContact CE2-CD1 4.37Å
290	T	96.8	Very high	96.3	Very high	3 Å²	3	52.6 Å²	52.6	2%	0.018	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-53.3	-32.6	169.9	-51.5	0	0	0	0	113.1	W217 R220 V224 P287 F288 N300	W217-T290 HydrophobicContact CH2-CG2 4.28Å; W217-T290 HydrophobicContact CZ3-CG2 3.86Å; R220-T290 HydrophobicContact CB-CG2 3.9Å; R220-T290 HydrophobicContact CG-CG2 4.24Å; V224-T290 HydrophobicContact CG2-CG2 4.13Å; V224-T290 WeakPolarHBondContact CG2-OG1 3.38Å; P287-T290 WeakPolarHBondContact O-CB 3.46Å; P287-T290 PolarHBondContact O-N 3Å; P287-T290 PolarHBondContact O-OG1 3.36Å; F288-T290 PolarHBondContact O-N 3.02Å; F288-T290 VanDerWaalsContact O-N 3.09Å; T290-N300 PolarHBondContact OG1-ND2 3.19Å
291	F	96.4	Very high	96.4	Very high	108 Å²	108	51.5 Å²	51.5	47%	0.474	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-92.1	-16.2	-177.9	-52.8	-72.1	0	0	0	113	W217 V224 F288 F289 G293	W217-F291 HydrophobicContact CH2-CD1 4.04Å; W217-F291 HydrophobicContact CH2-CE1 4.36Å; W217-F291 HydrophobicContact CZ3-CD1 4.06Å; W217-F291 AromaticContact CZ3-CE1 3.91Å; W217-F291 HydrophobicContact CZ3-CE1 3.91Å; V224-F291 HydrophobicContact CG1-CE2 4.28Å; V224-F291 HydrophobicContact CG1-CZ 4.31Å; V224-F291 HydrophobicContact CG2-CE2 4.34Å; V224-F291 HydrophobicContact CG2-CZ 4.35Å; F288-F291 HydrophobicContact CD1-CD2 4.41Å; F288-F291 HydrophobicContact CD1-CE2 4.47Å; F288-F291 WeakPolarHBondContact O-CD2 3.45Å; F288-F291 PolarHBondContact O-N 3.32Å; F289-F291 PolarHBondContact O-N 2.86Å; F291-G293 PolarHBondContact O-N 3.12Å
292	L	95.3	Very high	96.4	Very high	109 Å²	109	49.8 Å²	49.8	57%	0.571	26%	0.257	S	S	*	.	S	Bend	trans	-84.6	37.7	-175.2	-56.8	-178.4	0	0	0	113.3	F289 M296	F289-L292 HydrophobicContact CD1-CD1 3.9Å; F289-L292 PolarHBondContact O-N 3.27Å; F289-L292 VanDerWaalsContact O-N 3.14Å; L292-M296 HydrophobicContact CB-CB 3.64Å; L292-M296 HydrophobicContact CB-CG 3.79Å; L292-M296 WeakPolarHBondContact O-CB 3.22Å; L292-M296 WeakPolarHBondContact O-CG 3.25Å
293	G	93.6	Very high	96.5	Very high	43 Å²	43	50.6 Å²	50.6	44%	0.443	26%	0.26	S	S	.	.	H	α-helix	trans	76.4	-176.6	177.1	0	0	0	0	0	115.5	F291 Q295 C297	F291-G293 PolarHBondContact O-N 3.12Å; G293-Q295 PolarHBondContact O-N 3.48Å; G293-C297 VanDerWaalsContact O-CB 3.23Å; G293-C297 WeakPolarHBondContact O-CB 3.32Å; G293-C297 PolarHBondContact O-N 3.11Å
294	R	93.1	Very high	96.5	Very high	118 Å²	118	50.2 Å²	50.2	45%	0.445	26%	0.259	S	S	.	.	H	α-helix	trans	-58.6	-48.1	-167.1	-179.3	179.8	175.5	-95.8	-5.8	113.9	M298 D333	R294-M298 HydrophobicContact CG-CE 4.19Å; R294-M298 WeakPolarHBondContact O-CG 3.5Å; R294-M298 PolarHBondContact O-N 3.49Å; R294-M298 VanDerWaalsContact O-N 3.14Å; R294-D333 IonicContact CZ-OD2 3.19Å; R294-D333 IonicContact NE-OD2 2.74Å; R294-D333 PolarHBondContact NE-OD2 3.3Å; R294-D333 VanDerWaalsContact NH2-CG 3.29Å; R294-D333 IonicContact NH2-OD1 3Å; R294-D333 PolarHBondContact NH2-OD1 2.85Å; R294-D333 IonicContact NH2-OD2 2.82Å; R294-D333 PolarHBondContact NH2-OD2 3.22Å
295	Q	94.5	Very high	96.6	Very high	149 Å²	149	50.1 Å²	50.1	70%	0.696	26%	0.258	S	S	*	.	H	α-helix	trans	-66	-50	-175.8	-75.6	173.3	-31.3	0	0	111.3	G293 C297 M298 V299	G293-Q295 PolarHBondContact O-N 3.48Å; Q295-C297 VanDerWaalsContact C-N 3.3Å; Q295-C297 PolarHBondContact O-N 3.48Å; Q295-M298 PolarHBondContact O-N 2.99Å; Q295-V299 WeakPolarHBondContact O-CG2 3.39Å; Q295-V299 PolarHBondContact O-N 3Å
296	M	96.9	Very high	96.6	Very high	62 Å²	62	51.4 Å²	51.4	31%	0.305	27%	0.265	S	S	.	.	H	α-helix	trans	-65.2	-33.6	179.1	-62.3	-53.4	-63.5	0	0	112.4	F289 L292 V299 N300	F289-M296 HydrophobicContact CB-CB 4.03Å; F289-M296 HydrophobicContact CB-CE 4.15Å; F289-M296 WeakPolarHBondContact CB-O 3.41Å; F289-M296 HydrophobicContact CD1-CE 3.86Å; F289-M296 HydrophobicContact CD2-CE 3.69Å; F289-M296 HydrophobicContact CE1-CE 4.13Å; F289-M296 HydrophobicContact CE2-CE 3.97Å; F289-M296 HydrophobicContact CG-CE 3.63Å; F289-M296 HydrophobicContact CZ-CE 4.19Å; F289-M296 CarbonylContact O-C 3.58Å; F289-M296 WeakPolarHBondContact O-CB 3.41Å; L292-M296 HydrophobicContact CB-CB 3.64Å; L292-M296 HydrophobicContact CB-CG 3.79Å; L292-M296 WeakPolarHBondContact O-CB 3.22Å; L292-M296 WeakPolarHBondContact O-CG 3.25Å; M296-V299 PolarHBondContact O-N 3.21Å; M296-N300 PolarHBondContact O-N 3.49Å
297	C	96.4	Very high	96.6	Very high	3 Å²	3	52 Å²	52	2%	0.02	27%	0.268	C	S	.	.	H	α-helix	trans	-60.9	-47.9	172.3	-166.3	0	0	0	0	111.4	F289 G293 Q295 V299 N300 G301 C331	F289-C297 PolarHBondContact O-N 3.09Å; G293-C297 VanDerWaalsContact O-CB 3.23Å; G293-C297 WeakPolarHBondContact O-CB 3.32Å; G293-C297 PolarHBondContact O-N 3.11Å; Q295-C297 VanDerWaalsContact C-N 3.3Å; Q295-C297 PolarHBondContact O-N 3.48Å; C297-V299 VanDerWaalsContact C-N 3.34Å; C297-V299 PolarHBondContact O-N 2.91Å; C297-N300 WeakPolarHBondContact O-CB 3.35Å; C297-N300 PolarHBondContact O-N 2.91Å; C297-G301 PolarHBondContact O-N 3.37Å; C297-C331 VanDerWaalsContact O-CB 3.31Å; C297-C331 WeakPolarHBondContact O-CB 3.44Å
298	M	96.1	Very high	96.7	Very high	35 Å²	35	52.4 Å²	52.4	17%	0.172	27%	0.27	C	S	.	.	H	α-helix	trans	-63.9	-36.3	174.8	-66.6	-176.9	-55.3	0	0	112.6	R294 Q295 G301 A302 F332	R294-M298 HydrophobicContact CG-CE 4.19Å; R294-M298 WeakPolarHBondContact O-CG 3.5Å; R294-M298 PolarHBondContact O-N 3.49Å; R294-M298 VanDerWaalsContact O-N 3.14Å; Q295-M298 PolarHBondContact O-N 2.99Å; M298-G301 PolarHBondContact O-N 3.41Å; M298-A302 WeakPolarHBondContact O-CB 3.41Å; M298-A302 PolarHBondContact O-N 3.17Å; M298-F332 HydrophobicContact CB-CD1 4.37Å; M298-F332 HydrophobicContact CB-CE1 4.34Å; M298-F332 HydrophobicContact CG-CD1 4.26Å
299	V	97.2	Very high	96.7	Very high	64 Å²	64	49.8 Å²	49.8	39%	0.388	26%	0.263	S	S	.	.	H	α-helix	trans	-63.4	-42.6	174	169.8	0	0	0	0	111.1	F289 Q295 M296 C297 A302 I303	F289-V299 HydrophobicContact CD2-CG1 4.36Å; Q295-V299 WeakPolarHBondContact O-CG2 3.39Å; Q295-V299 PolarHBondContact O-N 3Å; M296-V299 PolarHBondContact O-N 3.21Å; C297-V299 VanDerWaalsContact C-N 3.34Å; C297-V299 PolarHBondContact O-N 2.91Å; V299-A302 PolarHBondContact O-N 3.22Å; V299-I303 HydrophobicContact CG1-CD1 3.69Å; V299-I303 HydrophobicContact CG1-CG1 4.39Å; V299-I303 WeakPolarHBondContact O-CB 3.34Å; V299-I303 VanDerWaalsContact O-CG1 3.28Å; V299-I303 WeakPolarHBondContact O-CG1 3.35Å; V299-I303 PolarHBondContact O-N 3.2Å
300	N	97.4	Very high	96.5	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.005	27%	0.274	C	S	.	.	H	α-helix	trans	-57.2	-53.6	170.8	-173.3	36.9	0	0	0	110.5	A286 F289 T290 M296 C297 A302 I303 Q304	A286-N300 VanDerWaalsContact O-CG 3.3Å; A286-N300 PolarHBondContact O-OD1 3.09Å; A286-N300 VanDerWaalsContact O-OD1 3.06Å; F289-N300 HydrophobicContact CB-CB 4.11Å; T290-N300 PolarHBondContact OG1-ND2 3.19Å; M296-N300 PolarHBondContact O-N 3.49Å; C297-N300 WeakPolarHBondContact O-CB 3.35Å; C297-N300 PolarHBondContact O-N 2.91Å; N300-A302 PolarHBondContact O-N 2.93Å; N300-I303 PolarHBondContact O-N 3.14Å; N300-I303 VanDerWaalsContact O-N 3.08Å; N300-Q304 WeakPolarHBondContact O-CG 3.27Å; N300-Q304 PolarHBondContact O-N 2.81Å; N300-Q304 VanDerWaalsContact OD1-CG 3.3Å; N300-Q304 WeakPolarHBondContact OD1-CG 3.3Å; N300-Q304 PolarHBondContact OD1-NE2 3.37Å
301	G	97.3	Very high	96.4	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-52.9	-40.9	179.2	0	0	0	0	0	113.3	C297 M298 I305	C297-G301 PolarHBondContact O-N 3.37Å; M298-G301 PolarHBondContact O-N 3.41Å; G301-I305 WeakPolarHBondContact O-CB 3.27Å; G301-I305 WeakPolarHBondContact O-CG1 3.37Å; G301-I305 PolarHBondContact O-N 3.4Å; G301-I305 VanDerWaalsContact O-N 3.08Å
302	A	97.8	Very high	96.4	Very high	50 Å²	50	48.6 Å²	48.6	41%	0.413	27%	0.265	S	S	.	.	H	α-helix	trans	-69.2	-44.8	177.1	0	0	0	0	0	112.5	M298 V299 N300 I305 L306 F332	M298-A302 WeakPolarHBondContact O-CB 3.41Å; M298-A302 PolarHBondContact O-N 3.17Å; V299-A302 PolarHBondContact O-N 3.22Å; N300-A302 PolarHBondContact O-N 2.93Å; A302-I305 PolarHBondContact O-N 3.37Å; A302-L306 VanDerWaalsContact O-CB 3.31Å; A302-L306 WeakPolarHBondContact O-CB 3.42Å; A302-L306 PolarHBondContact O-N 2.79Å; A302-F332 HydrophobicContact CB-CZ 4.17Å
303	I	98.1	Very high	96.3	Very high	40 Å²	40	48 Å²	48	21%	0.205	26%	0.261	C	S	.	.	H	α-helix	trans	-60.7	-47.8	176.5	-71.3	168.9	0	0	0	110.6	I282 A286 F289 V299 N300 L306 F307	I282-I303 HydrophobicContact CB-CG2 4.35Å; I282-I303 HydrophobicContact CD1-CG2 4.43Å; I282-I303 HydrophobicContact CG1-CG2 3.83Å; I282-I303 HydrophobicContact CG2-CG2 3.87Å; A286-I303 HydrophobicContact CB-CG2 4.13Å; F289-I303 HydrophobicContact CE2-CD1 4.37Å; V299-I303 HydrophobicContact CG1-CD1 3.69Å; V299-I303 HydrophobicContact CG1-CG1 4.39Å; V299-I303 WeakPolarHBondContact O-CB 3.34Å; V299-I303 VanDerWaalsContact O-CG1 3.28Å; V299-I303 WeakPolarHBondContact O-CG1 3.35Å; V299-I303 PolarHBondContact O-N 3.2Å; N300-I303 PolarHBondContact O-N 3.14Å; N300-I303 VanDerWaalsContact O-N 3.08Å; I303-L306 PolarHBondContact O-N 2.81Å; I303-F307 VanDerWaalsContact O-CB 3.27Å; I303-F307 WeakPolarHBondContact O-CB 3.22Å; I303-F307 PolarHBondContact O-N 3.36Å
304	Q	97.8	Very high	96.3	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.005	24%	0.242	C	C	.	.	H	α-helix	trans	-65.8	-41.1	-179.1	-57.9	-51.9	-20.7	0	0	111.9	I223 M227 I282 N300 F307 Q308 S328	I223-Q304 HydrophobicContact CD1-CB 4.4Å; I223-Q304 HydrophobicContact CD1-CG 4.38Å; I223-Q304 HydrophobicContact CG1-CB 4.48Å; I223-Q304 HydrophobicContact CG1-CG 4.13Å; M227-Q304 HydrophobicContact CG-CG 4.49Å; I282-Q304 PolarHBondContact O-NE2 3.22Å; N300-Q304 WeakPolarHBondContact O-CG 3.27Å; N300-Q304 PolarHBondContact O-N 2.81Å; N300-Q304 VanDerWaalsContact OD1-CG 3.3Å; N300-Q304 WeakPolarHBondContact OD1-CG 3.3Å; N300-Q304 PolarHBondContact OD1-NE2 3.37Å; Q304-F307 PolarHBondContact O-N 3.23Å; Q304-Q308 VanDerWaalsContact O-CG 3.27Å; Q304-Q308 WeakPolarHBondContact O-CG 3.49Å; Q304-Q308 PolarHBondContact O-N 3.25Å; Q304-S328 WeakPolarHBondContact CB-OG 3.38Å
305	I	97.9	Very high	96.2	Very high	28 Å²	28	40.7 Å²	40.7	14%	0.144	22%	0.222	C	C	.	.	H	α-helix	trans	-64.3	-46.7	175.8	-68.5	174.4	0	0	0	110.9	G301 A302 F307 Q308 V309 I325 W329 F332	G301-I305 WeakPolarHBondContact O-CB 3.27Å; G301-I305 WeakPolarHBondContact O-CG1 3.37Å; G301-I305 PolarHBondContact O-N 3.4Å; G301-I305 VanDerWaalsContact O-N 3.08Å; A302-I305 PolarHBondContact O-N 3.37Å; I305-F307 VanDerWaalsContact C-N 3.33Å; I305-F307 PolarHBondContact O-N 3.03Å; I305-Q308 PolarHBondContact O-N 2.84Å; I305-V309 WeakPolarHBondContact O-CG2 3.42Å; I305-V309 PolarHBondContact O-N 3.25Å; I305-I325 HydrophobicContact CG1-CG2 4.25Å; I305-W329 HydrophobicContact CD1-CD2 3.99Å; I305-W329 HydrophobicContact CD1-CE3 3.93Å; I305-W329 HydrophobicContact CD1-CH2 4.11Å; I305-W329 HydrophobicContact CD1-CZ2 4.17Å; I305-W329 HydrophobicContact CD1-CZ3 3.99Å; I305-F332 HydrophobicContact CD1-CE2 3.8Å; I305-F332 HydrophobicContact CD1-CZ 4.48Å
306	L	97.9	Very high	96	Very high	116 Å²	116	33.6 Å²	33.6	61%	0.607	19%	0.188	S	C	*	.	H	α-helix	trans	-59.7	-44.1	177.7	177.7	60.4	0	0	0	111.6	A302 I303 V309 V310	A302-L306 VanDerWaalsContact O-CB 3.31Å; A302-L306 WeakPolarHBondContact O-CB 3.42Å; A302-L306 PolarHBondContact O-N 2.79Å; I303-L306 PolarHBondContact O-N 2.81Å; L306-V309 PolarHBondContact O-N 3.48Å; L306-V310 WeakPolarHBondContact O-CG2 3.06Å; L306-V310 PolarHBondContact O-N 3.41Å
307	F	97.3	Very high	95.7	Very high	13 Å²	13	31.2 Å²	31.2	6%	0.057	18%	0.177	C	C	.	.	H	α-helix	trans	-61.4	-48.5	178.7	-178	-124.9	0	0	0	112.4	M227 N279 I282 E283 I303 Q304 I305 V309 V310 L311	M227-F307 HydrophobicContact CE-CD1 3.69Å; M227-F307 HydrophobicContact CE-CE1 3.73Å; N279-F307 WeakPolarHBondContact OD1-CE2 3.4Å; N279-F307 VanDerWaalsContact OD1-CZ 3.3Å; N279-F307 WeakPolarHBondContact OD1-CZ 3.49Å; I282-F307 HydrophobicContact CB-CD1 4.5Å; I282-F307 HydrophobicContact CB-CG 4.42Å; I282-F307 HydrophobicContact CD1-CB 4.17Å; I282-F307 HydrophobicContact CD1-CD2 3.62Å; I282-F307 HydrophobicContact CD1-CE2 4.21Å; I282-F307 HydrophobicContact CD1-CG 3.98Å; I282-F307 HydrophobicContact CG2-CB 3.84Å; I282-F307 HydrophobicContact CG2-CD1 3.56Å; I282-F307 HydrophobicContact CG2-CD2 4.25Å; I282-F307 HydrophobicContact CG2-CE1 4.12Å; I282-F307 HydrophobicContact CG2-CG 3.62Å; E283-F307 HydrophobicContact CG-CE1 4.11Å; I303-F307 VanDerWaalsContact O-CB 3.27Å; I303-F307 WeakPolarHBondContact O-CB 3.22Å; I303-F307 PolarHBondContact O-N 3.36Å; Q304-F307 PolarHBondContact O-N 3.23Å; I305-F307 VanDerWaalsContact C-N 3.33Å; I305-F307 PolarHBondContact O-N 3.03Å; F307-V309 VanDerWaalsContact C-N 3.28Å; F307-V309 PolarHBondContact O-N 3.4Å; F307-V310 PolarHBondContact O-N 3.31Å; F307-V310 VanDerWaalsContact O-N 3.15Å; F307-L311 HydrophobicContact CD1-CD1 4.12Å; F307-L311 HydrophobicContact CE1-CD1 3.71Å; F307-L311 HydrophobicContact CE2-CD1 4.28Å; F307-L311 HydrophobicContact CE2-CD2 4.34Å; F307-L311 HydrophobicContact CE2-CG 4.24Å; F307-L311 HydrophobicContact CZ-CD1 3.8Å; F307-L311 HydrophobicContact CZ-CD2 4.35Å; F307-L311 HydrophobicContact CZ-CG 4.24Å; F307-L311 WeakPolarHBondContact O-CG 3.38Å; F307-L311 PolarHBondContact O-N 2.85Å
308	Q	97.4	Very high	95.4	Very high	9 Å²	9	31.1 Å²	31.1	4%	0.042	18%	0.176	C	C	.	.	H	α-helix	trans	-64.3	-33.1	177.4	-65.3	-58	-29.7	0	0	112.2	Q304 I305 L311 I312 N321 T324 I325	Q304-Q308 VanDerWaalsContact O-CG 3.27Å; Q304-Q308 WeakPolarHBondContact O-CG 3.49Å; Q304-Q308 PolarHBondContact O-N 3.25Å; I305-Q308 PolarHBondContact O-N 2.84Å; Q308-L311 PolarHBondContact O-N 3.46Å; Q308-I312 WeakPolarHBondContact O-CD1 3.31Å; Q308-I312 VanDerWaalsContact O-CG1 3.22Å; Q308-I312 WeakPolarHBondContact O-CG1 3.27Å; Q308-I312 PolarHBondContact O-N 3Å; Q308-N321 HydrophobicContact CB-CB 4.35Å; Q308-N321 VanDerWaalsContact OE1-CA 3.23Å; Q308-N321 VanDerWaalsContact OE1-CB 3.27Å; Q308-T324 HydrophobicContact CG-CG2 4.03Å; Q308-I325 HydrophobicContact CB-CD1 3.87Å; Q308-I325 HydrophobicContact CB-CG1 3.53Å; Q308-I325 HydrophobicContact CG-CG1 4.18Å
309	V	96.9	Very high	95.3	Very high	58 Å²	58	29.4 Å²	29.4	35%	0.352	17%	0.168	S	C	.	.	H	α-helix	trans	-64.9	-43.7	171.6	168.2	0	0	0	0	111.6	I305 L306 F307 L311 I312 I313 I325	I305-V309 WeakPolarHBondContact O-CG2 3.42Å; I305-V309 PolarHBondContact O-N 3.25Å; L306-V309 PolarHBondContact O-N 3.48Å; F307-V309 VanDerWaalsContact C-N 3.28Å; F307-V309 PolarHBondContact O-N 3.4Å; V309-L311 VanDerWaalsContact C-N 3.33Å; V309-L311 PolarHBondContact O-N 2.96Å; V309-I312 PolarHBondContact O-N 3.33Å; V309-I313 HydrophobicContact CG1-CD1 3.93Å; V309-I313 WeakPolarHBondContact O-CG1 3.45Å; V309-I313 PolarHBondContact O-N 3.36Å; V309-I325 HydrophobicContact CG2-CD1 4.1Å
310	V	95.5	Very high	95.1	Very high	66 Å²	66	27.6 Å²	27.6	40%	0.4	16%	0.156	S	C	.	.	H	α-helix	trans	-59.3	-44.8	173.9	171.7	0	0	0	0	110.7	L306 F307 I312 I313 S314	L306-V310 WeakPolarHBondContact O-CG2 3.06Å; L306-V310 PolarHBondContact O-N 3.41Å; F307-V310 PolarHBondContact O-N 3.31Å; F307-V310 VanDerWaalsContact O-N 3.15Å; V310-I312 VanDerWaalsContact C-N 3.34Å; V310-I312 PolarHBondContact O-N 3.34Å; V310-I313 PolarHBondContact O-N 3.06Å; V310-I313 VanDerWaalsContact O-N 3.15Å; V310-S314 WeakPolarHBondContact O-CB 3.38Å; V310-S314 PolarHBondContact O-N 3.29Å; V310-S314 PolarHBondContact O-OG 3.35Å
311	L	94.4	Very high	95	Very high	33 Å²	33	27.7 Å²	27.7	17%	0.173	16%	0.156	C	C	.	.	H	α-helix	trans	-64.1	-33.9	177.5	-66.1	176.8	0	0	0	113.4	F307 Q308 V309 S314 G315 N321	F307-L311 HydrophobicContact CD1-CD1 4.12Å; F307-L311 HydrophobicContact CE1-CD1 3.71Å; F307-L311 HydrophobicContact CE2-CD1 4.28Å; F307-L311 HydrophobicContact CE2-CD2 4.34Å; F307-L311 HydrophobicContact CE2-CG 4.24Å; F307-L311 HydrophobicContact CZ-CD1 3.8Å; F307-L311 HydrophobicContact CZ-CD2 4.35Å; F307-L311 HydrophobicContact CZ-CG 4.24Å; F307-L311 WeakPolarHBondContact O-CG 3.38Å; F307-L311 PolarHBondContact O-N 2.85Å; Q308-L311 PolarHBondContact O-N 3.46Å; V309-L311 VanDerWaalsContact C-N 3.33Å; V309-L311 PolarHBondContact O-N 2.96Å; L311-S314 PolarHBondContact O-N 3.14Å; L311-S314 PolarHBondContact O-OG 3.03Å; L311-G315 PolarHBondContact O-N 3.48Å; L311-N321 VanDerWaalsContact C-ND2 3.3Å; L311-N321 WeakPolarHBondContact CB-ND2 3.21Å
312	I	95.3	Very high	95	Very high	23 Å²	23	31.6 Å²	31.6	12%	0.118	17%	0.171	C	C	.	.	H	α-helix	trans	-67.5	-39.7	172.9	-69.4	159.1	0	0	0	110.8	Q308 V309 V310 S314 N321 W322 I325	Q308-I312 WeakPolarHBondContact O-CD1 3.31Å; Q308-I312 VanDerWaalsContact O-CG1 3.22Å; Q308-I312 WeakPolarHBondContact O-CG1 3.27Å; Q308-I312 PolarHBondContact O-N 3Å; V309-I312 PolarHBondContact O-N 3.33Å; V310-I312 VanDerWaalsContact C-N 3.34Å; V310-I312 PolarHBondContact O-N 3.34Å; I312-S314 VanDerWaalsContact C-N 3.34Å; I312-N321 HydrophobicContact CD1-CB 3.86Å; I312-N321 HydrophobicContact CG1-CB 3.5Å; I312-N321 VanDerWaalsContact CG1-CB 3.5Å; I312-N321 PolarHBondContact N-ND2 2.98Å; I312-W322 HydrophobicContact CD1-CD2 3.88Å; I312-W322 HydrophobicContact CD1-CG 3.95Å; I312-W322 HydrophobicContact CD1-CZ2 4.3Å; I312-W322 HydrophobicContact CG2-CZ2 4.14Å; I312-I325 HydrophobicContact CD1-CD1 4.05Å
313	I	94.1	Very high	95	Very high	96 Å²	96	29.2 Å²	29.2	49%	0.492	15%	0.151	S	C	.	.	H	α-helix	trans	-68	-36.5	176.9	-68.3	168.2	0	0	0	110.6	N258 M260 V309 V310	N258-I313 PolarHBondContact ND2-O 3.07Å; M260-I313 VanDerWaalsContact CB-O 3.29Å; M260-I313 WeakPolarHBondContact CB-O 3.33Å; M260-I313 HydrophobicContact CG-CG2 4.17Å; V309-I313 HydrophobicContact CG1-CD1 3.93Å; V309-I313 WeakPolarHBondContact O-CG1 3.45Å; V309-I313 PolarHBondContact O-N 3.36Å; V310-I313 PolarHBondContact O-N 3.06Å; V310-I313 VanDerWaalsContact O-N 3.15Å
314	S	92.4	Very high	94.9	Very high	7 Å²	7	27.5 Å²	27.5	5%	0.049	14%	0.143	C	C	.	.	H	α-helix	trans	-90.1	-12.1	-171.6	76.5	0	0	0	0	115.9	S261 M264 V310 L311 I312	S261-S314 PolarHBondContact OG-O 3Å; M264-S314 WeakPolarHBondContact SD-CB 3.39Å; V310-S314 WeakPolarHBondContact O-CB 3.38Å; V310-S314 PolarHBondContact O-N 3.29Å; V310-S314 PolarHBondContact O-OG 3.35Å; L311-S314 PolarHBondContact O-N 3.14Å; L311-S314 PolarHBondContact O-OG 3.03Å; I312-S314 VanDerWaalsContact C-N 3.34Å
315	G	90.6	Very high	94.9	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.01	15%	0.147	C	C	.	.	S	Bend	trans	-170.3	160.7	-179.7	0	0	0	0	0	114.1	Q254 N258 L311 L317	Q254-G315 VanDerWaalsContact OE1-CA 3.22Å; N258-G315 PolarHBondContact ND2-N 2.8Å; L311-G315 PolarHBondContact O-N 3.48Å; G315-L317 PolarHBondContact O-N 2.94Å
316	N	91.6	Very high	94.9	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.14	C	C	.	.	B	Isolated β-bridge	trans	-91.1	97.9	175.3	-55.1	-75	0	0	0	110.7	V256 P257 N258 C462 I464 S465 W473	V256-N316 HydrophobicContact CB-CB 4.25Å; V256-N316 HydrophobicContact CG1-CB 4.32Å; V256-N316 VanDerWaalsContact O-CB 3.26Å; V256-N316 WeakPolarHBondContact O-CB 3.3Å; V256-N316 PolarHBondContact O-N 3.31Å; V256-N316 PolarHBondContact O-ND2 2.96Å; P257-N316 PolarHBondContact O-ND2 3.34Å; N258-N316 WeakPolarHBondContact CB-ND2 3.16Å; N316-C462 PolarHBondContact ND2-O 3.07Å; N316-I464 HydrophobicContact CB-CD1 4.27Å; N316-I464 HydrophobicContact CB-CG1 3.71Å; N316-I464 WeakPolarHBondContact OD1-CG1 3.16Å; N316-I464 PolarHBondContact OD1-N 3.27Å; N316-S465 PolarHBondContact OD1-N 3.23Å; N316-W473 VanDerWaalsContact O-CZ3 3.31Å; N316-W473 WeakPolarHBondContact O-CZ3 3.26Å
317	L	89.4	Confident	94.9	Very high	11 Å²	11	21.5 Å²	21.5	6%	0.058	11%	0.112	C	C	.	.			trans	-103.1	48.6	175.8	-61.6	-176	0	0	0	112.9	G315 F319 L320 N321 F418 W473	G315-L317 PolarHBondContact O-N 2.94Å; L317-F319 PolarHBondContact O-N 3.24Å; L317-L320 WeakPolarHBondContact O-CB 3.45Å; L317-L320 PolarHBondContact O-N 3.36Å; L317-N321 WeakPolarHBondContact CB-OD1 3.28Å; L317-N321 WeakPolarHBondContact CD1-OD1 3.43Å; L317-F418 HydrophobicContact CD1-CE2 4.04Å; L317-F418 HydrophobicContact CD2-CE2 3.72Å; L317-F418 HydrophobicContact CD2-CZ 3.66Å; L317-W473 HydrophobicContact CD2-CH2 4.06Å
318	S	89.9	Confident	94.9	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.007	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.9	-137.4	-179.7	178.6	0	0	0	0	109.9	S465 P466 H468	S318-S465 PolarHBondContact O-OG 2.94Å; S318-P466 CarbonylContact C-O 3.52Å; S318-P466 WeakPolarHBondContact O-CA 3.44Å; S318-H468 WeakPolarHBondContact OG-CB 3.33Å
319	F	94.4	Very high	94.9	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	7.1	167	55	-99.3	0	0	0	114.2	I72 A76 W182 L186 L317 N321 W322 L323 P466	I72-F319 HydrophobicContact CG2-CB 4.18Å; I72-F319 HydrophobicContact CG2-CD2 3.47Å; I72-F319 VanDerWaalsContact CG2-CD2 3.47Å; I72-F319 HydrophobicContact CG2-CE2 4Å; I72-F319 HydrophobicContact CG2-CG 3.95Å; A76-F319 HydrophobicContact CB-CE1 4.01Å; A76-F319 HydrophobicContact CB-CZ 4.01Å; W182-F319 HydrophobicContact CB-CD2 4.35Å; W182-F319 HydrophobicContact CB-CE2 4.06Å; W182-F319 AromaticContact CD1-CE2 3.49Å; W182-F319 VanDerWaalsContact CD1-CE2 3.49Å; W182-F319 AromaticContact CD1-CZ 3.42Å; W182-F319 VanDerWaalsContact CD1-CZ 3.42Å; W182-F319 HydrophobicContact CG-CD2 4.47Å; W182-F319 HydrophobicContact CG-CE2 4.06Å; W182-F319 HydrophobicContact CG-CZ 4.37Å; L186-F319 HydrophobicContact CD2-CE2 4.11Å; L186-F319 HydrophobicContact CD2-CZ 4.37Å; L317-F319 PolarHBondContact O-N 3.24Å; F319-N321 PolarHBondContact O-N 3.06Å; F319-W322 PolarHBondContact O-N 3.14Å; F319-L323 HydrophobicContact CD2-CB 4.49Å; F319-L323 HydrophobicContact CD2-CD2 4.19Å; F319-L323 HydrophobicContact CE2-CD2 4.24Å; F319-L323 VanDerWaalsContact O-CB 3.25Å; F319-L323 WeakPolarHBondContact O-CB 3.35Å; F319-L323 PolarHBondContact O-N 2.8Å; F319-P466 HydrophobicContact CB-CB 4.07Å; F319-P466 PolarHBondContact N-O 3.22Å
320	L	94.4	Very high	94.9	Very high	26 Å²	26	19.9 Å²	19.9	14%	0.136	10%	0.098	C	C	.	.	H	α-helix	trans	-54.4	-49.5	-176.6	175.4	65.9	0	0	0	112.6	W182 Q185 L317 L323 T324	W182-L320 HydrophobicContact CB-CB 4.18Å; W182-L320 HydrophobicContact CB-CD1 3.89Å; W182-L320 HydrophobicContact CD2-CB 4.44Å; W182-L320 HydrophobicContact CE3-CB 3.94Å; W182-L320 HydrophobicContact CE3-CD1 4.34Å; W182-L320 HydrophobicContact CE3-CD2 4.23Å; W182-L320 HydrophobicContact CE3-CG 4.4Å; Q185-L320 VanDerWaalsContact OE1-CD1 3.27Å; L317-L320 WeakPolarHBondContact O-CB 3.45Å; L317-L320 PolarHBondContact O-N 3.36Å; L320-L323 PolarHBondContact O-N 2.88Å; L320-T324 WeakPolarHBondContact O-CB 3.36Å; L320-T324 PolarHBondContact O-N 3.49Å; L320-T324 PolarHBondContact O-OG1 3.4Å
321	N	95.4	Very high	94.9	Very high	3 Å²	3	16.9 Å²	16.9	2%	0.016	8%	0.08	C	C	.	.	H	α-helix	trans	-68.3	-43.2	-175.6	-57.4	3.7	0	0	0	110.8	Q308 L311 I312 L317 F319 L323 T324 I325	Q308-N321 HydrophobicContact CB-CB 4.35Å; Q308-N321 VanDerWaalsContact OE1-CA 3.23Å; Q308-N321 VanDerWaalsContact OE1-CB 3.27Å; L311-N321 VanDerWaalsContact C-ND2 3.3Å; L311-N321 WeakPolarHBondContact CB-ND2 3.21Å; I312-N321 HydrophobicContact CD1-CB 3.86Å; I312-N321 HydrophobicContact CG1-CB 3.5Å; I312-N321 VanDerWaalsContact CG1-CB 3.5Å; I312-N321 PolarHBondContact N-ND2 2.98Å; L317-N321 WeakPolarHBondContact CB-OD1 3.28Å; L317-N321 WeakPolarHBondContact CD1-OD1 3.43Å; F319-N321 PolarHBondContact O-N 3.06Å; N321-L323 VanDerWaalsContact C-N 3.31Å; N321-L323 PolarHBondContact O-N 3.03Å; N321-T324 CarbonylContact O-C 3.58Å; N321-T324 PolarHBondContact O-N 3.4Å; N321-T324 VanDerWaalsContact O-N 3.09Å; N321-I325 PolarHBondContact O-N 2.84Å
322	W	96.8	Very high	95	Very high	82 Å²	82	16.7 Å²	16.7	31%	0.311	8%	0.078	S	C	.	.	H	α-helix	trans	-60.8	-39.6	174.8	-62.8	87.1	0	0	0	112.1	F71 I72 I312 F319 T324 I325 V326 S465 P466	F71-W322 HydrophobicContact CE1-CD2 4.37Å; F71-W322 AromaticContact CE1-CE3 3.88Å; F71-W322 HydrophobicContact CE1-CE3 3.88Å; F71-W322 HydrophobicContact CE1-CZ3 4.2Å; I72-W322 HydrophobicContact CD1-CB 3.51Å; I312-W322 HydrophobicContact CD1-CD2 3.88Å; I312-W322 HydrophobicContact CD1-CG 3.95Å; I312-W322 HydrophobicContact CD1-CZ2 4.3Å; I312-W322 HydrophobicContact CG2-CZ2 4.14Å; F319-W322 PolarHBondContact O-N 3.14Å; W322-T324 VanDerWaalsContact C-N 3.3Å; W322-I325 WeakPolarHBondContact O-CB 3.29Å; W322-I325 PolarHBondContact O-N 3.38Å; W322-V326 PolarHBondContact O-N 2.76Å; W322-S465 PolarHBondContact NE1-OG 3.18Å; W322-P466 HydrophobicContact CD2-CB 4.4Å; W322-P466 HydrophobicContact CG-CB 4.13Å
323	L	96.8	Very high	94.9	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-70.1	-26.6	175.4	-177.8	57.6	0	0	0	112.5	I72 W182 Q185 L186 T189 F319 L320 N321 V326 P327	I72-L323 HydrophobicContact CB-CD1 4.5Å; I72-L323 HydrophobicContact CG1-CB 4.39Å; I72-L323 HydrophobicContact CG1-CD1 4.23Å; I72-L323 HydrophobicContact CG2-CB 4.37Å; I72-L323 HydrophobicContact CG2-CD1 4.23Å; W182-L323 HydrophobicContact CB-CD2 4.3Å; W182-L323 WeakPolarHBondContact O-CD2 3.3Å; Q185-L323 HydrophobicContact CB-CD2 3.73Å; Q185-L323 HydrophobicContact CB-CG 4.44Å; Q185-L323 HydrophobicContact CG-CD2 3.76Å; Q185-L323 HydrophobicContact CG-CG 3.92Å; L186-L323 HydrophobicContact CB-CD2 3.88Å; L186-L323 HydrophobicContact CD1-CD1 4.11Å; T189-L323 HydrophobicContact CG2-CD1 4.1Å; F319-L323 HydrophobicContact CD2-CB 4.49Å; F319-L323 HydrophobicContact CD2-CD2 4.19Å; F319-L323 HydrophobicContact CE2-CD2 4.24Å; F319-L323 VanDerWaalsContact O-CB 3.25Å; F319-L323 WeakPolarHBondContact O-CB 3.35Å; F319-L323 PolarHBondContact O-N 2.8Å; L320-L323 PolarHBondContact O-N 2.88Å; N321-L323 VanDerWaalsContact C-N 3.31Å; N321-L323 PolarHBondContact O-N 3.03Å; L323-V326 HydrophobicContact CD1-CG2 4.32Å; L323-V326 WeakPolarHBondContact O-CB 3.35Å; L323-V326 PolarHBondContact O-N 3.34Å; L323-P327 WeakPolarHBondContact O-CD 3.33Å
324	T	96.4	Very high	94.8	Very high	3 Å²	3	11.2 Å²	11.2	2%	0.018	5%	0.05	C	C	.	.	H	α-helix	trans	-81.7	-25.1	174.7	-54.6	0	0	0	0	112.5	Q185 I223 I226 M227 Q308 L320 N321 W322 V326 P327 S328	Q185-T324 PolarHBondContact NE2-OG1 2.95Å; I223-T324 HydrophobicContact CD1-CG2 3.67Å; I226-T324 HydrophobicContact CG2-CG2 3.79Å; M227-T324 HydrophobicContact SD-CG2 3.83Å; Q308-T324 HydrophobicContact CG-CG2 4.03Å; L320-T324 WeakPolarHBondContact O-CB 3.36Å; L320-T324 PolarHBondContact O-N 3.49Å; L320-T324 PolarHBondContact O-OG1 3.4Å; N321-T324 CarbonylContact O-C 3.58Å; N321-T324 PolarHBondContact O-N 3.4Å; N321-T324 VanDerWaalsContact O-N 3.09Å; W322-T324 VanDerWaalsContact C-N 3.3Å; T324-V326 VanDerWaalsContact C-N 3.27Å; T324-V326 PolarHBondContact O-N 2.97Å; T324-P327 WeakPolarHBondContact O-CD 3.26Å; T324-S328 PolarHBondContact O-OG 3Å
325	I	98.1	Very high	94.8	Very high	19 Å²	19	12.1 Å²	12.1	10%	0.097	6%	0.058	C	C	.	.	H	α-helix	trans	-62.3	-34.3	164.7	-72.5	169.8	0	0	0	111.2	I305 Q308 V309 I312 N321 W322 S328 W329	I305-I325 HydrophobicContact CG1-CG2 4.25Å; Q308-I325 HydrophobicContact CB-CD1 3.87Å; Q308-I325 HydrophobicContact CB-CG1 3.53Å; Q308-I325 HydrophobicContact CG-CG1 4.18Å; V309-I325 HydrophobicContact CG2-CD1 4.1Å; I312-I325 HydrophobicContact CD1-CD1 4.05Å; N321-I325 PolarHBondContact O-N 2.84Å; W322-I325 WeakPolarHBondContact O-CB 3.29Å; W322-I325 PolarHBondContact O-N 3.38Å; I325-S328 WeakPolarHBondContact O-CB 3.31Å; I325-S328 PolarHBondContact O-N 3.03Å; I325-W329 HydrophobicContact CG2-CZ2 4.48Å; I325-W329 PolarHBondContact O-N 3.42Å
326	V	98	Very high	94.8	Very high	1 Å²	1	13.6 Å²	13.6	1%	0.006	7%	0.068	C	C	.	.	H	α-helix	trans	-53.1	-62	-177.5	-177.9	0	0	0	0	113.3	L65 V69 I72 T189 F219 W322 L323 T324 S328 W329	L65-V326 HydrophobicContact CD2-CG1 4.24Å; L65-V326 WeakPolarHBondContact CD2-O 3.41Å; V69-V326 HydrophobicContact CG2-CG1 3.56Å; I72-V326 HydrophobicContact CG1-CG2 4.1Å; T189-V326 HydrophobicContact CG2-CB 4.27Å; T189-V326 HydrophobicContact CG2-CG1 3.75Å; F219-V326 HydrophobicContact CE1-CG1 4.47Å; W322-V326 PolarHBondContact O-N 2.76Å; L323-V326 HydrophobicContact CD1-CG2 4.32Å; L323-V326 WeakPolarHBondContact O-CB 3.35Å; L323-V326 PolarHBondContact O-N 3.34Å; T324-V326 VanDerWaalsContact C-N 3.27Å; T324-V326 PolarHBondContact O-N 2.97Å; V326-S328 PolarHBondContact O-N 3.06Å; V326-W329 WeakPolarHBondContact O-CB 3.45Å; V326-W329 PolarHBondContact O-N 3.16Å
327	P	97.6	Very high	94.8	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-65.3	-23.8	-179.1	27.2	-36.1	0	0	0	113.2	F219 L222 I223 I226 L323 T324 W329 A330	F219-P327 HydrophobicContact CB-CB 4.32Å; F219-P327 HydrophobicContact CD1-CB 4.12Å; F219-P327 WeakPolarHBondContact O-CB 3.4Å; L222-P327 HydrophobicContact CB-CB 4.36Å; L222-P327 HydrophobicContact CD2-CB 4.27Å; L222-P327 HydrophobicContact CD2-CG 4.45Å; L222-P327 HydrophobicContact CG-CB 4.26Å; L222-P327 HydrophobicContact CG-CG 4.34Å; I223-P327 HydrophobicContact CB-CB 3.95Å; I223-P327 HydrophobicContact CB-CG 3.96Å; I223-P327 HydrophobicContact CD1-CG 4.37Å; I223-P327 HydrophobicContact CG2-CB 4.48Å; I226-P327 HydrophobicContact CD1-CG 4.14Å; L323-P327 WeakPolarHBondContact O-CD 3.33Å; T324-P327 WeakPolarHBondContact O-CD 3.26Å; P327-W329 PolarHBondContact O-N 2.82Å; P327-A330 VanDerWaalsContact O-CB 3.3Å; P327-A330 WeakPolarHBondContact O-CB 3.26Å; P327-A330 PolarHBondContact O-N 3.49Å
328	S	97.6	Very high	94.8	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-61.6	-30.8	176.7	-56.5	0	0	0	0	112.4	I223 Q304 T324 I325 V326 A330 C331	I223-S328 WeakPolarHBondContact CD1-OG 3.5Å; Q304-S328 WeakPolarHBondContact CB-OG 3.38Å; T324-S328 PolarHBondContact O-OG 3Å; I325-S328 WeakPolarHBondContact O-CB 3.31Å; I325-S328 PolarHBondContact O-N 3.03Å; V326-S328 PolarHBondContact O-N 3.06Å; S328-A330 PolarHBondContact O-N 3.26Å; S328-C331 VanDerWaalsContact O-CB 3.29Å; S328-C331 WeakPolarHBondContact O-CB 3.48Å; S328-C331 PolarHBondContact O-N 2.83Å; S328-C331 VanDerWaalsContact O-N 3.14Å; S328-C331 PolarHBondContact O-SG 3.01Å; S328-C331 VanDerWaalsContact O-SG 3.4Å
329	W	97.3	Very high	94.8	Very high	45 Å²	45	22.1 Å²	22.1	17%	0.17	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	-59.5	-27.9	173.5	-69.3	116.6	0	0	0	113.8	T61 V64 L65 I305 I325 V326 P327 C331 F332 L337 L340	T61-W329 VanDerWaalsContact CG2-O 3.26Å; T61-W329 WeakPolarHBondContact CG2-O 3.31Å; V64-W329 HydrophobicContact CG1-CB 4.36Å; V64-W329 HydrophobicContact CG1-CD2 3.57Å; V64-W329 HydrophobicContact CG1-CE3 4.04Å; V64-W329 HydrophobicContact CG1-CG 3.71Å; V64-W329 HydrophobicContact CG1-CZ2 4.36Å; L65-W329 HydrophobicContact CD2-CB 3.97Å; L65-W329 HydrophobicContact CG-CB 4.21Å; I305-W329 HydrophobicContact CD1-CD2 3.99Å; I305-W329 HydrophobicContact CD1-CE3 3.93Å; I305-W329 HydrophobicContact CD1-CH2 4.11Å; I305-W329 HydrophobicContact CD1-CZ2 4.17Å; I305-W329 HydrophobicContact CD1-CZ3 3.99Å; I325-W329 HydrophobicContact CG2-CZ2 4.48Å; I325-W329 PolarHBondContact O-N 3.42Å; V326-W329 WeakPolarHBondContact O-CB 3.45Å; V326-W329 PolarHBondContact O-N 3.16Å; P327-W329 PolarHBondContact O-N 2.82Å; W329-C331 PolarHBondContact O-N 2.82Å; W329-C331 VanDerWaalsContact O-N 3.12Å; W329-F332 HydrophobicContact CE3-CD2 4.2Å; W329-F332 PolarHBondContact O-N 3.11Å; W329-L337 HydrophobicContact CE3-CD2 3.84Å; W329-L337 HydrophobicContact CZ3-CD2 3.77Å; W329-L340 HydrophobicContact CH2-CD1 4.32Å; W329-L340 HydrophobicContact CZ3-CD1 4.18Å
330	A	97	Very high	94.5	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-66.4	-12.2	178.7	0	0	0	0	0	113.6	L65 I216 F219 R220 P327 S328 F332	L65-A330 HydrophobicContact CD1-CB 4.35Å; I216-A330 HydrophobicContact CG2-CB 4.25Å; I216-A330 WeakPolarHBondContact CG2-O 3.46Å; F219-A330 HydrophobicContact CB-CB 3.5Å; F219-A330 HydrophobicContact CG-CB 4.47Å; R220-A330 HydrophobicContact CG-CB 4.18Å; R220-A330 VanDerWaalsContact CZ-O 3.29Å; R220-A330 PolarHBondContact NE-O 3.39Å; R220-A330 PolarHBondContact NH2-O 3.34Å; P327-A330 VanDerWaalsContact O-CB 3.3Å; P327-A330 WeakPolarHBondContact O-CB 3.26Å; P327-A330 PolarHBondContact O-N 3.49Å; S328-A330 PolarHBondContact O-N 3.26Å; A330-F332 VanDerWaalsContact C-N 3.27Å
331	C	96.2	Very high	94.1	Very high	4 Å²	4	25.8 Å²	25.8	3%	0.027	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-72.2	-20.6	172.7	-60.1	0	0	0	0	113.2	C297 S328 W329	C297-C331 VanDerWaalsContact O-CB 3.31Å; C297-C331 WeakPolarHBondContact O-CB 3.44Å; S328-C331 VanDerWaalsContact O-CB 3.29Å; S328-C331 WeakPolarHBondContact O-CB 3.48Å; S328-C331 PolarHBondContact O-N 2.83Å; S328-C331 VanDerWaalsContact O-N 3.14Å; S328-C331 PolarHBondContact O-SG 3.01Å; S328-C331 VanDerWaalsContact O-SG 3.4Å; W329-C331 PolarHBondContact O-N 2.82Å; W329-C331 VanDerWaalsContact O-N 3.12Å
332	F	96.1	Very high	93.5	Very high	29 Å²	29	36 Å²	36	13%	0.127	17%	0.166	C	C	.	.			trans	-101	146.2	-173.7	-62.5	-86.3	0	0	0	112.5	Y58 T61 M298 A302 I305 W329 A330 S336 L337	Y58-F332 WeakPolarHBondContact CD1-O 3.41Å; Y58-F332 WeakPolarHBondContact CE1-O 3.37Å; T61-F332 VanDerWaalsContact CG2-O 3.29Å; T61-F332 WeakPolarHBondContact CG2-O 3.44Å; T61-F332 PolarHBondContact OG1-O 3.28Å; M298-F332 HydrophobicContact CB-CD1 4.37Å; M298-F332 HydrophobicContact CB-CE1 4.34Å; M298-F332 HydrophobicContact CG-CD1 4.26Å; A302-F332 HydrophobicContact CB-CZ 4.17Å; I305-F332 HydrophobicContact CD1-CE2 3.8Å; I305-F332 HydrophobicContact CD1-CZ 4.48Å; W329-F332 HydrophobicContact CE3-CD2 4.2Å; W329-F332 PolarHBondContact O-N 3.11Å; A330-F332 VanDerWaalsContact C-N 3.27Å; F332-S336 WeakPolarHBondContact CB-OG 3.29Å; F332-L337 HydrophobicContact CB-CD1 4.01Å; F332-L337 HydrophobicContact CB-CD2 3.64Å; F332-L337 HydrophobicContact CB-CG 3.69Å; F332-L337 HydrophobicContact CD1-CD2 4.42Å; F332-L337 HydrophobicContact CG-CD2 3.98Å
333	D	93.6	Very high	92.3	Very high	3 Å²	3	38.1 Å²	38.1	2%	0.016	19%	0.192	C	C	.	.			trans	-105.8	169.3	175.3	70.5	12	0	0	0	113.1	P55 G56 T57 Y58 R294 A335 S336 L337	P55-D333 WeakPolarHBondContact CA-OD2 3.3Å; P55-D333 WeakPolarHBondContact CB-OD2 3.4Å; G56-D333 PolarHBondContact N-OD2 2.96Å; T57-D333 WeakPolarHBondContact O-CA 3.43Å; T57-D333 WeakPolarHBondContact O-CB 3.37Å; Y58-D333 HydrophobicContact CD1-CB 4.36Å; Y58-D333 HydrophobicContact CE1-CB 3.98Å; R294-D333 IonicContact CZ-OD2 3.19Å; R294-D333 IonicContact NE-OD2 2.74Å; R294-D333 PolarHBondContact NE-OD2 3.3Å; R294-D333 VanDerWaalsContact NH2-CG 3.29Å; R294-D333 IonicContact NH2-OD1 3Å; R294-D333 PolarHBondContact NH2-OD1 2.85Å; R294-D333 IonicContact NH2-OD2 2.82Å; R294-D333 PolarHBondContact NH2-OD2 3.22Å; D333-A335 PolarHBondContact O-N 2.84Å; D333-A335 VanDerWaalsContact O-N 3.13Å; D333-A335 PolarHBondContact OD1-N 2.64Å; D333-S336 PolarHBondContact N-OG 3.23Å; D333-S336 PolarHBondContact O-N 2.62Å; D333-S336 PolarHBondContact O-OG 2.86Å; D333-S336 PolarHBondContact OD1-N 3.23Å; D333-S336 PolarHBondContact OD1-OG 2.76Å; D333-L337 PolarHBondContact O-N 2.88Å
334	D	92.3	Very high	90.8	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-31.2	-175.7	-65.6	-24.9	0	0	0	113.5	L53 T57 Y58 W59 L60 T61 S338	L53-D334 WeakPolarHBondContact CD1-O 3.18Å; T57-D334 VanDerWaalsContact CB-OD2 3.23Å; T57-D334 WeakPolarHBondContact CB-OD2 3.23Å; T57-D334 PolarHBondContact O-N 2.94Å; T57-D334 PolarHBondContact OG1-OD2 2.82Å; Y58-D334 WeakPolarHBondContact CA-OD1 3.46Å; Y58-D334 PolarHBondContact N-OD2 3.18Å; Y58-D334 VanDerWaalsContact N-OD2 3.11Å; W59-D334 VanDerWaalsContact N-CG 3.25Å; W59-D334 PolarHBondContact N-OD1 3.41Å; W59-D334 PolarHBondContact N-OD2 3.14Å; L60-D334 WeakPolarHBondContact CA-OD1 3.36Å; L60-D334 HydrophobicContact CB-CB 4.48Å; L60-D334 WeakPolarHBondContact CB-OD1 3.34Å; L60-D334 HydrophobicContact CD1-CB 4.33Å; L60-D334 HydrophobicContact CG-CB 4.32Å; L60-D334 PolarHBondContact N-OD1 3.28Å; T61-D334 PolarHBondContact N-OD1 3.49Å; D334-S338 WeakPolarHBondContact O-CB 3.47Å; D334-S338 PolarHBondContact O-N 3.02Å
335	A	90.6	Very high	90.2	Very high	26 Å²	26	41.9 Å²	41.9	22%	0.215	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-49.2	174.4	0	0	0	0	0	110.8	L53 D333 S338	L53-A335 WeakPolarHBondContact O-CB 3.5Å; D333-A335 PolarHBondContact O-N 2.84Å; D333-A335 VanDerWaalsContact O-N 3.13Å; D333-A335 PolarHBondContact OD1-N 2.64Å; A335-S338 VanDerWaalsContact O-CB 3.24Å; A335-S338 WeakPolarHBondContact O-CB 3.41Å; A335-S338 PolarHBondContact O-N 2.71Å; A335-S338 PolarHBondContact O-OG 3.36Å
336	S	91.1	Very high	89.7	Confident	32 Å²	32	51 Å²	51	22%	0.224	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-34.7	179.3	64.1	0	0	0	0	114.1	F332 D333 S338 F339	F332-S336 WeakPolarHBondContact CB-OG 3.29Å; D333-S336 PolarHBondContact N-OG 3.23Å; D333-S336 PolarHBondContact O-N 2.62Å; D333-S336 PolarHBondContact O-OG 2.86Å; D333-S336 PolarHBondContact OD1-N 3.23Å; D333-S336 PolarHBondContact OD1-OG 2.76Å; S336-S338 VanDerWaalsContact C-N 3.31Å; S336-F339 VanDerWaalsContact O-CD1 3.23Å; S336-F339 WeakPolarHBondContact O-CD1 3.36Å; S336-F339 VanDerWaalsContact O-CE1 3.32Å; S336-F339 WeakPolarHBondContact O-CE1 3.38Å
337	L	91.4	Very high	89.2	Confident	2 Å²	2	51.2 Å²	51.2	1%	0.01	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	0.3	176.8	-61	-178.5	0	0	0	113.8	T61 V64 W329 F332 D333 F339 L340	T61-L337 HydrophobicContact CG2-CD1 4.06Å; V64-L337 HydrophobicContact CG2-CD1 4.29Å; W329-L337 HydrophobicContact CE3-CD2 3.84Å; W329-L337 HydrophobicContact CZ3-CD2 3.77Å; F332-L337 HydrophobicContact CB-CD1 4.01Å; F332-L337 HydrophobicContact CB-CD2 3.64Å; F332-L337 HydrophobicContact CB-CG 3.69Å; F332-L337 HydrophobicContact CD1-CD2 4.42Å; F332-L337 HydrophobicContact CG-CD2 3.98Å; D333-L337 PolarHBondContact O-N 2.88Å; L337-F339 PolarHBondContact O-N 3.17Å; L337-L340 HydrophobicContact CB-CD1 4.5Å; L337-L340 HydrophobicContact CD2-CD1 4.06Å; L337-L340 PolarHBondContact O-N 3.08Å; L337-L340 VanDerWaalsContact O-N 3.1Å
338	S	89.5	Confident	88.7	Confident	37 Å²	37	53.2 Å²	53.2	26%	0.259	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-19.1	-173.1	67.5	0	0	0	0	114.8	D334 A335 S336 K348	D334-S338 WeakPolarHBondContact O-CB 3.47Å; D334-S338 PolarHBondContact O-N 3.02Å; A335-S338 VanDerWaalsContact O-CB 3.24Å; A335-S338 WeakPolarHBondContact O-CB 3.41Å; A335-S338 PolarHBondContact O-N 2.71Å; A335-S338 PolarHBondContact O-OG 3.36Å; S336-S338 VanDerWaalsContact C-N 3.31Å; S338-K348 PolarHBondContact O-NZ 3.07Å
339	F	89.6	Confident	88.3	Confident	153 Å²	153	58.1 Å²	58.1	67%	0.671	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-29.2	177.3	73.1	-85.7	0	0	0	113.6	S336 L337 F341	S336-F339 VanDerWaalsContact O-CD1 3.23Å; S336-F339 WeakPolarHBondContact O-CD1 3.36Å; S336-F339 VanDerWaalsContact O-CE1 3.32Å; S336-F339 WeakPolarHBondContact O-CE1 3.38Å; L337-F339 PolarHBondContact O-N 3.17Å; F339-F341 PolarHBondContact O-N 3.19Å
340	L	87.9	Confident	87.9	Confident	80 Å²	80	57.1 Å²	57.1	42%	0.419	30%	0.295	S	S	.	.	S	Bend	trans	-67	-18.4	177.4	-64.2	174.6	0	0	0	112.4	V64 W329 L337	V64-L340 HydrophobicContact CG2-CD1 4.18Å; W329-L340 HydrophobicContact CH2-CD1 4.32Å; W329-L340 HydrophobicContact CZ3-CD1 4.18Å; L337-L340 HydrophobicContact CB-CD1 4.5Å; L337-L340 HydrophobicContact CD2-CD1 4.06Å; L337-L340 PolarHBondContact O-N 3.08Å; L337-L340 VanDerWaalsContact O-N 3.1Å
341	F	86.9	Confident	87.6	Confident	22 Å²	22	57.1 Å²	57.1	10%	0.096	30%	0.295	C	S	.	.	S	Bend	trans	-107.4	111.4	-178.1	-66.8	-95.5	0	0	0	109.8	L60 I63 V64 F339 A347 K348	L60-F341 HydrophobicContact CB-CD2 4.2Å; L60-F341 HydrophobicContact CB-CE2 3.7Å; L60-F341 HydrophobicContact CB-CZ 4.03Å; L60-F341 HydrophobicContact CD1-CD2 3.91Å; L60-F341 HydrophobicContact CD1-CE2 4.29Å; L60-F341 HydrophobicContact CD1-CG 4.29Å; L60-F341 HydrophobicContact CD2-CD1 4.07Å; L60-F341 HydrophobicContact CD2-CD2 4.23Å; L60-F341 HydrophobicContact CD2-CE1 4Å; L60-F341 HydrophobicContact CD2-CE2 4.19Å; L60-F341 HydrophobicContact CD2-CG 4.18Å; L60-F341 HydrophobicContact CD2-CZ 4.06Å; L60-F341 HydrophobicContact CG-CD2 4.35Å; L60-F341 HydrophobicContact CG-CE2 4.28Å; I63-F341 HydrophobicContact CB-CE1 4.48Å; I63-F341 HydrophobicContact CB-CZ 4.17Å; I63-F341 HydrophobicContact CD1-CE1 4.37Å; I63-F341 HydrophobicContact CG2-CE1 4.12Å; I63-F341 HydrophobicContact CG2-CZ 4.08Å; V64-F341 HydrophobicContact CG2-CE2 3.99Å; V64-F341 HydrophobicContact CG2-CZ 4.12Å; F339-F341 PolarHBondContact O-N 3.19Å; F341-A347 HydrophobicContact CD1-CB 4.23Å; F341-A347 HydrophobicContact CE1-CB 4.25Å; F341-K348 HydrophobicContact CB-CB 4.26Å; F341-K348 HydrophobicContact CB-CD 4.08Å; F341-K348 WeakPolarHBondContact O-CD 3.36Å; F341-K348 PolarHBondContact O-NZ 3.31Å; F341-K348 VanDerWaalsContact O-NZ 3.09Å
342	R	83.2	Confident	87.4	Confident	218 Å²	218	58.2 Å²	58.2	82%	0.823	30%	0.301	S	S	*	.			trans	-47.4	145.9	177.7	-67.5	-175.2	-179.4	178.3	0.4	111.1	S345	R342-S345 VanDerWaalsContact O-CB 3.26Å; R342-S345 WeakPolarHBondContact O-CB 3.47Å; R342-S345 PolarHBondContact O-N 3.29Å; R342-S345 VanDerWaalsContact O-N 3.13Å; R342-S345 PolarHBondContact O-OG 3.33Å
343	C	70.6	Confident	87	Confident	126 Å²	126	61 Å²	61	85%	0.851	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	139.8	170.1	-156	0	0	0	0	109.2	S345	C343-S345 VanDerWaalsContact C-N 3.32Å; C343-S345 PolarHBondContact O-N 3.13Å
344	G	66.1	Low	86.7	Confident	54 Å²	54	61.9 Å²	61.9	56%	0.557	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.6	15.6	-172.2	0	0	0	0	0	115.6	E349	G344-E349 WeakPolarHBondContact CA-OE1 3.45Å
345	S	84.7	Confident	86.6	Confident	29 Å²	29	62.5 Å²	62.5	20%	0.203	32%	0.322	C	S	.	.			trans	-82.8	127.5	174	56.9	0	0	0	0	111.5	R342 C343 A347 K348 E349	R342-S345 VanDerWaalsContact O-CB 3.26Å; R342-S345 WeakPolarHBondContact O-CB 3.47Å; R342-S345 PolarHBondContact O-N 3.29Å; R342-S345 VanDerWaalsContact O-N 3.13Å; R342-S345 PolarHBondContact O-OG 3.33Å; C343-S345 VanDerWaalsContact C-N 3.32Å; C343-S345 PolarHBondContact O-N 3.13Å; S345-A347 PolarHBondContact O-N 3.3Å; S345-K348 WeakPolarHBondContact O-CA 3.44Å; S345-K348 WeakPolarHBondContact O-CB 3.45Å; S345-K348 PolarHBondContact O-N 3.4Å; S345-K348 WeakPolarHBondContact OG-CB 3.19Å; S345-E349 PolarHBondContact O-N 2.86Å
346	R	86.4	Confident	86.5	Confident	210 Å²	210	67 Å²	67	79%	0.792	34%	0.336	S	S	*	.	H	α-helix	trans	-45.3	-38.1	-178	-170	179.9	-175.8	-174.7	2.8	114.5	A350	R346-A350 VanDerWaalsContact O-CB 3.27Å; R346-A350 WeakPolarHBondContact O-CB 3.46Å; R346-A350 PolarHBondContact O-N 3.39Å
347	A	87.6	Confident	86.3	Confident	6 Å²	6	70.9 Å²	70.9	5%	0.05	35%	0.346	C	S	.	.	H	α-helix	trans	-66.6	-45	176.1	0	0	0	0	0	112.6	L60 I63 V205 F341 S345 V351	L60-A347 HydrophobicContact CD2-CB 4.33Å; I63-A347 HydrophobicContact CD1-CB 3.83Å; V205-A347 HydrophobicContact CG2-CB 4.27Å; F341-A347 HydrophobicContact CD1-CB 4.23Å; F341-A347 HydrophobicContact CE1-CB 4.25Å; S345-A347 PolarHBondContact O-N 3.3Å; A347-V351 VanDerWaalsContact O-CG2 3.3Å; A347-V351 WeakPolarHBondContact O-CG2 3.35Å; A347-V351 PolarHBondContact O-N 2.86Å; A347-V351 VanDerWaalsContact O-N 3.13Å
348	K	87.8	Confident	86	Confident	41 Å²	41	76.4 Å²	76.4	18%	0.178	37%	0.37	C	S	.	.	H	α-helix	trans	-66.1	-41.3	178.7	-170	169.1	-175.9	167	0	111.1	L53 S338 F341 S345 V351 L352	L53-K348 HydrophobicContact CD1-CG 4.19Å; S338-K348 PolarHBondContact O-NZ 3.07Å; F341-K348 HydrophobicContact CB-CB 4.26Å; F341-K348 HydrophobicContact CB-CD 4.08Å; F341-K348 WeakPolarHBondContact O-CD 3.36Å; F341-K348 PolarHBondContact O-NZ 3.31Å; F341-K348 VanDerWaalsContact O-NZ 3.09Å; S345-K348 WeakPolarHBondContact O-CA 3.44Å; S345-K348 WeakPolarHBondContact O-CB 3.45Å; S345-K348 PolarHBondContact O-N 3.4Å; S345-K348 WeakPolarHBondContact OG-CB 3.19Å; K348-V351 PolarHBondContact O-N 3.33Å; K348-L352 WeakPolarHBondContact O-CG 3.45Å; K348-L352 PolarHBondContact O-N 3.19Å
349	E	89	Confident	85.7	Confident	104 Å²	104	80.2 Å²	80.2	49%	0.486	39%	0.391	S	S	.	.	H	α-helix	trans	-64.9	-46.8	176.6	-65.6	175.8	149.8	0	0	112.2	G344 S345 V351 L352 E353	G344-E349 WeakPolarHBondContact CA-OE1 3.45Å; S345-E349 PolarHBondContact O-N 2.86Å; E349-V351 VanDerWaalsContact C-N 3.31Å; E349-V351 PolarHBondContact O-N 2.77Å; E349-L352 PolarHBondContact O-N 3.01Å; E349-E353 WeakPolarHBondContact O-CB 3.42Å; E349-E353 PolarHBondContact O-N 2.91Å
350	A	89.5	Confident	85.5	Confident	24 Å²	24	77 Å²	77	20%	0.198	38%	0.384	C	S	.	.	H	α-helix	trans	-60.7	-38.5	176.8	0	0	0	0	0	112.5	V205 R346 E353 I354	V205-A350 HydrophobicContact CB-CB 4.05Å; V205-A350 HydrophobicContact CG1-CB 4.14Å; V205-A350 HydrophobicContact CG2-CB 4.21Å; R346-A350 VanDerWaalsContact O-CB 3.27Å; R346-A350 WeakPolarHBondContact O-CB 3.46Å; R346-A350 PolarHBondContact O-N 3.39Å; A350-E353 PolarHBondContact O-N 2.7Å; A350-I354 WeakPolarHBondContact O-CB 3.23Å; A350-I354 WeakPolarHBondContact O-CD1 3.32Å; A350-I354 VanDerWaalsContact O-CG1 3.23Å; A350-I354 WeakPolarHBondContact O-CG1 3.28Å; A350-I354 PolarHBondContact O-N 2.96Å
351	V	90.6	Very high	85.1	Confident	0 Å²	0	76.2 Å²	76.2	0%	0	40%	0.396	C	S	.	.	H	α-helix	trans	-69.2	-40.4	175.4	-179.9	0	0	0	0	111.3	L53 W59 L60 V205 A347 K348 E349 E353 I354 Q355	L53-V351 HydrophobicContact CD2-CB 4.02Å; L53-V351 HydrophobicContact CD2-CG1 3.49Å; L53-V351 VanDerWaalsContact CD2-CG1 3.49Å; W59-V351 HydrophobicContact CB-CB 4.38Å; W59-V351 HydrophobicContact CB-CG1 4.01Å; W59-V351 HydrophobicContact CB-CG2 3.36Å; W59-V351 HydrophobicContact CG-CG1 4.12Å; W59-V351 HydrophobicContact CG-CG2 3.9Å; L60-V351 HydrophobicContact CD2-CG2 4.02Å; L60-V351 HydrophobicContact CG-CG2 4.39Å; V205-V351 HydrophobicContact CG1-CG2 3.87Å; V205-V351 HydrophobicContact CG2-CG2 4.25Å; A347-V351 VanDerWaalsContact O-CG2 3.3Å; A347-V351 WeakPolarHBondContact O-CG2 3.35Å; A347-V351 PolarHBondContact O-N 2.86Å; A347-V351 VanDerWaalsContact O-N 3.13Å; K348-V351 PolarHBondContact O-N 3.33Å; E349-V351 VanDerWaalsContact C-N 3.31Å; E349-V351 PolarHBondContact O-N 2.77Å; V351-E353 VanDerWaalsContact C-N 3.35Å; V351-E353 PolarHBondContact O-N 2.8Å; V351-I354 PolarHBondContact O-N 3.47Å; V351-Q355 HydrophobicContact CG1-CG 4.42Å; V351-Q355 WeakPolarHBondContact O-CB 3.31Å; V351-Q355 WeakPolarHBondContact O-CG 3.47Å; V351-Q355 PolarHBondContact O-N 3.39Å
352	L	90.3	Very high	84.7	Confident	27 Å²	27	81.6 Å²	81.6	14%	0.141	42%	0.421	C	S	.	.	H	α-helix	trans	-62.1	-39.7	173.3	-76.2	176.6	0	0	0	112.4	V51 L53 K348 E349 Q355 K356	V51-L352 HydrophobicContact CB-CD1 4.43Å; V51-L352 HydrophobicContact CG1-CD1 4.24Å; V51-L352 HydrophobicContact CG1-CD2 3.84Å; L53-L352 HydrophobicContact CD2-CD2 3.69Å; L53-L352 HydrophobicContact CD2-CG 3.93Å; L53-L352 HydrophobicContact CG-CD2 3.8Å; L53-L352 HydrophobicContact CG-CG 4.24Å; K348-L352 WeakPolarHBondContact O-CG 3.45Å; K348-L352 PolarHBondContact O-N 3.19Å; E349-L352 PolarHBondContact O-N 3.01Å; L352-Q355 PolarHBondContact O-N 3.02Å; L352-K356 WeakPolarHBondContact O-CB 3.49Å; L352-K356 VanDerWaalsContact O-CG 3.25Å; L352-K356 WeakPolarHBondContact O-CG 3.46Å; L352-K356 PolarHBondContact O-N 2.8Å
353	E	89.3	Confident	84.3	Confident	88 Å²	88	73.5 Å²	73.5	41%	0.411	40%	0.401	S	S	.	.	H	α-helix	trans	-64.2	-45.1	175	-168.4	-167.7	-177.5	0	0	111.6	E349 A350 V351 Q355 K356 R357	E349-E353 WeakPolarHBondContact O-CB 3.42Å; E349-E353 PolarHBondContact O-N 2.91Å; A350-E353 PolarHBondContact O-N 2.7Å; V351-E353 VanDerWaalsContact C-N 3.35Å; V351-E353 PolarHBondContact O-N 2.8Å; E353-Q355 PolarHBondContact O-N 3.43Å; E353-K356 PolarHBondContact O-N 2.86Å; E353-R357 VanDerWaalsContact CD-NH1 3.27Å; E353-R357 PolarHBondContact O-N 3.18Å; E353-R357 IonicContact OE1-CZ 2.7Å; E353-R357 IonicContact OE1-NE 2.93Å; E353-R357 IonicContact OE1-NH1 2.76Å; E353-R357 PolarHBondContact OE1-NH1 2.73Å; E353-R357 IonicContact OE1-NH2 3.8Å; E353-R357 PolarHBondContact OE1-NH2 3.03Å; E353-R357 IonicContact OE2-NH1 3.68Å
354	I	87.6	Confident	84.4	Confident	21 Å²	21	72 Å²	72	11%	0.108	39%	0.39	C	S	.	.	H	α-helix	trans	-62.5	-40.9	175.7	-71.2	165.5	0	0	0	111.3	W59 V205 A350 V351 K358	W59-I354 HydrophobicContact CH2-CD1 4.21Å; W59-I354 HydrophobicContact CZ2-CD1 4.22Å; W59-I354 HydrophobicContact CZ2-CG2 3.94Å; W59-I354 HydrophobicContact CZ3-CD1 4.5Å; V205-I354 HydrophobicContact CG1-CD1 3.59Å; A350-I354 WeakPolarHBondContact O-CB 3.23Å; A350-I354 WeakPolarHBondContact O-CD1 3.32Å; A350-I354 VanDerWaalsContact O-CG1 3.23Å; A350-I354 WeakPolarHBondContact O-CG1 3.28Å; A350-I354 PolarHBondContact O-N 2.96Å; V351-I354 PolarHBondContact O-N 3.47Å; I354-K358 WeakPolarHBondContact O-CG 3.21Å; I354-K358 PolarHBondContact O-N 2.69Å
355	Q	89	Confident	85	Confident	13 Å²	13	78.4 Å²	78.4	6%	0.061	40%	0.402	C	S	.	.	H	α-helix	trans	-67.3	-45.1	175.9	-73.8	-177	-6.4	0	0	111.4	Q54 T57 V351 L352 E353 R357 K358 V359	Q54-Q355 PolarHBondContact O-NE2 2.87Å; T57-Q355 PolarHBondContact OG1-NE2 3.4Å; V351-Q355 HydrophobicContact CG1-CG 4.42Å; V351-Q355 WeakPolarHBondContact O-CB 3.31Å; V351-Q355 WeakPolarHBondContact O-CG 3.47Å; V351-Q355 PolarHBondContact O-N 3.39Å; L352-Q355 PolarHBondContact O-N 3.02Å; E353-Q355 PolarHBondContact O-N 3.43Å; Q355-R357 PolarHBondContact O-N 2.86Å; Q355-K358 WeakPolarHBondContact O-CB 3.02Å; Q355-K358 PolarHBondContact O-N 3.29Å; Q355-K358 VanDerWaalsContact O-N 3.16Å; Q355-V359 PolarHBondContact O-N 3.44Å; Q355-V359 VanDerWaalsContact O-N 3.12Å
356	K	88.4	Confident	84.8	Confident	119 Å²	119	81.3 Å²	81.3	52%	0.517	42%	0.42	S	S	.	.	H	α-helix	trans	-56.4	-50	174.7	-76.3	173.3	-178.3	-176.9	0	111.8	L352 E353 K358 V359 T360	L352-K356 WeakPolarHBondContact O-CB 3.49Å; L352-K356 VanDerWaalsContact O-CG 3.25Å; L352-K356 WeakPolarHBondContact O-CG 3.46Å; L352-K356 PolarHBondContact O-N 2.8Å; E353-K356 PolarHBondContact O-N 2.86Å; K356-K358 PolarHBondContact O-N 3.19Å; K356-V359 PolarHBondContact O-N 3.44Å; K356-T360 PolarHBondContact O-N 3.22Å; K356-T360 PolarHBondContact O-OG1 2.87Å
357	R	86.6	Confident	84.8	Confident	114 Å²	114	75.5 Å²	75.5	43%	0.43	41%	0.408	S	S	.	.	H	α-helix	trans	-59.1	-30.5	177.6	-77.9	-176	176.7	133.5	3.6	113.6	E353 Q355 T360 Q362 A363	E353-R357 VanDerWaalsContact CD-NH1 3.27Å; E353-R357 PolarHBondContact O-N 3.18Å; E353-R357 IonicContact OE1-CZ 2.7Å; E353-R357 IonicContact OE1-NE 2.93Å; E353-R357 IonicContact OE1-NH1 2.76Å; E353-R357 PolarHBondContact OE1-NH1 2.73Å; E353-R357 IonicContact OE1-NH2 3.8Å; E353-R357 PolarHBondContact OE1-NH2 3.03Å; E353-R357 IonicContact OE2-NH1 3.68Å; Q355-R357 PolarHBondContact O-N 2.86Å; R357-T360 WeakPolarHBondContact CA-OG1 3.17Å; R357-T360 PolarHBondContact O-OG1 3.23Å; R357-Q362 CarbonylContact O-C 3.22Å; R357-Q362 VanDerWaalsContact O-C 3.23Å; R357-Q362 WeakPolarHBondContact O-CA 3.16Å; R357-Q362 PolarHBondContact O-N 3.05Å; R357-A363 PolarHBondContact O-N 3.29Å
358	K	84.6	Confident	84.8	Confident	119 Å²	119	83.7 Å²	83.7	52%	0.517	44%	0.443	S	S	.	.	H	α-helix	trans	-70.6	-42.9	172.4	-75	-177.5	176.1	-168.9	0	112.3	I354 Q355 K356 G361 A363	I354-K358 WeakPolarHBondContact O-CG 3.21Å; I354-K358 PolarHBondContact O-N 2.69Å; Q355-K358 WeakPolarHBondContact O-CB 3.02Å; Q355-K358 PolarHBondContact O-N 3.29Å; Q355-K358 VanDerWaalsContact O-N 3.16Å; K356-K358 PolarHBondContact O-N 3.19Å; K358-G361 PolarHBondContact O-N 3.14Å; K358-A363 HydrophobicContact CG-CB 4.24Å
359	V	84.2	Confident	84.7	Confident	117 Å²	117	84 Å²	84	71%	0.709	46%	0.457	S	S	*	.	H	α-helix	trans	-68.1	-36.2	179.2	176.8	0	0	0	0	111.6	Q355 K356 G361	Q355-V359 PolarHBondContact O-N 3.44Å; Q355-V359 VanDerWaalsContact O-N 3.12Å; K356-V359 PolarHBondContact O-N 3.44Å; V359-G361 PolarHBondContact O-N 3.18Å
360	T	85.6	Confident	84.6	Confident	84 Å²	84	81.7 Å²	81.7	52%	0.515	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	6.4	176.2	60.8	0	0	0	0	114.3	K356 R357 Q362	K356-T360 PolarHBondContact O-N 3.22Å; K356-T360 PolarHBondContact O-OG1 2.87Å; R357-T360 WeakPolarHBondContact CA-OG1 3.17Å; R357-T360 PolarHBondContact O-OG1 3.23Å; T360-Q362 PolarHBondContact O-N 3.31Å; T360-Q362 VanDerWaalsContact O-N 3.1Å; T360-Q362 PolarHBondContact OG1-OE1 3.09Å
361	G	79.5	Confident	84.6	Confident	65 Å²	65	85 Å²	85	67%	0.67	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.3	-4.6	-176.7	0	0	0	0	0	115.2	K358 V359 A363	K358-G361 PolarHBondContact O-N 3.14Å; V359-G361 PolarHBondContact O-N 3.18Å; G361-A363 PolarHBondContact O-N 3.07Å
362	Q	77.7	Confident	84.6	Confident	135 Å²	135	90.3 Å²	90.3	63%	0.631	49%	0.489	S	S	*	.			trans	-80.3	30.2	-179.7	-64.1	171	-22.4	0	0	113.2	R357 T360	R357-Q362 CarbonylContact O-C 3.22Å; R357-Q362 VanDerWaalsContact O-C 3.23Å; R357-Q362 WeakPolarHBondContact O-CA 3.16Å; R357-Q362 PolarHBondContact O-N 3.05Å; T360-Q362 PolarHBondContact O-N 3.31Å; T360-Q362 VanDerWaalsContact O-N 3.1Å; T360-Q362 PolarHBondContact OG1-OE1 3.09Å
363	A	75.6	Confident	84.6	Confident	48 Å²	48	90.9 Å²	90.9	40%	0.397	49%	0.489	S	S	.	.	P	Polyproline II helix	trans	-72.8	136.3	176	0	0	0	0	0	110.3	R357 K358 G361 K365	R357-A363 PolarHBondContact O-N 3.29Å; K358-A363 HydrophobicContact CG-CB 4.24Å; G361-A363 PolarHBondContact O-N 3.07Å; A363-K365 PolarHBondContact O-N 3.22Å
364	P	71.5	Confident	84.7	Confident	94 Å²	94	94.9 Å²	94.9	61%	0.61	50%	0.5	S	S	*	.	P	Polyproline II helix	trans	-61.9	134.4	176.6	25.4	-33.6	0	0	0	110.8
365	K	78.8	Confident	85	Confident	189 Å²	189	98.2 Å²	98.2	82%	0.822	52%	0.521	S	S	*	.	P	Polyproline II helix	trans	-57.8	141.7	177.3	-69.9	-177	178.3	179.5	0	110.4	A363 T367	A363-K365 PolarHBondContact O-N 3.22Å; K365-T367 PolarHBondContact O-N 3.08Å; K365-T367 VanDerWaalsContact O-N 3.1Å
366	P	80.9	Confident	85.2	Confident	90 Å²	90	100.3 Å²	100.3	58%	0.584	54%	0.535	S	S	*	.			trans	-63.1	114.2	-174.5	25.1	-34.2	0	0	0	111.6	M370	P366-M370 HydrophobicContact CB-CE 4.28Å
367	T	86.6	Confident	85.5	Confident	88 Å²	88	95.1 Å²	95.1	54%	0.54	51%	0.513	S	S	.	.			trans	-72.7	155.7	179.6	-31	0	0	0	0	111	K365 G369 M370 L371	K365-T367 PolarHBondContact O-N 3.08Å; K365-T367 VanDerWaalsContact O-N 3.1Å; T367-G369 PolarHBondContact O-N 3.35Å; T367-G369 VanDerWaalsContact O-N 3.11Å; T367-M370 WeakPolarHBondContact O-CA 3.26Å; T367-M370 WeakPolarHBondContact O-CB 3.29Å; T367-M370 PolarHBondContact O-N 2.78Å; T367-L371 PolarHBondContact O-N 2.71Å
368	K	87.4	Confident	85.9	Confident	177 Å²	177	93.8 Å²	93.8	77%	0.77	51%	0.513	S	S	*	.	H	α-helix	trans	-48.2	-41.5	174	-68	-174.3	178.7	-178.2	0	112.5	M370 L371 I372	K368-M370 VanDerWaalsContact C-N 3.35Å; K368-M370 PolarHBondContact O-N 2.78Å; K368-L371 PolarHBondContact O-N 2.73Å; K368-I372 WeakPolarHBondContact O-CG1 3.47Å; K368-I372 PolarHBondContact O-N 3.47Å
369	G	86.4	Confident	86.4	Confident	47 Å²	47	91.4 Å²	91.4	49%	0.485	51%	0.511	S	S	.	.	H	α-helix	trans	-62.8	-31.7	175.6	0	0	0	0	0	115	T367 R373	T367-G369 PolarHBondContact O-N 3.35Å; T367-G369 VanDerWaalsContact O-N 3.11Å; G369-R373 WeakPolarHBondContact O-CB 3.44Å; G369-R373 PolarHBondContact O-N 3.2Å
370	M	86.4	Confident	86.9	Confident	56 Å²	56	86 Å²	86	28%	0.276	48%	0.479	S	S	.	.	H	α-helix	trans	-70.7	-35.9	174.1	-67.7	169.1	61.4	0	0	111.6	S208 P366 T367 K368 R373 R374	S208-M370 WeakPolarHBondContact O-CG 3.23Å; P366-M370 HydrophobicContact CB-CE 4.28Å; T367-M370 WeakPolarHBondContact O-CA 3.26Å; T367-M370 WeakPolarHBondContact O-CB 3.29Å; T367-M370 PolarHBondContact O-N 2.78Å; K368-M370 VanDerWaalsContact C-N 3.35Å; K368-M370 PolarHBondContact O-N 2.78Å; M370-R373 PolarHBondContact O-N 2.84Å; M370-R374 WeakPolarHBondContact O-CB 3.1Å; M370-R374 PolarHBondContact O-N 3.3Å
371	L	89.7	Confident	87.4	Confident	95 Å²	95	83.2 Å²	83.2	50%	0.497	47%	0.467	S	S	.	.	H	α-helix	trans	-67.9	-47.4	175.1	-64.3	173.2	0	0	0	110.9	T367 K368 R373 R374 V375	T367-L371 PolarHBondContact O-N 2.71Å; K368-L371 PolarHBondContact O-N 2.73Å; L371-R373 VanDerWaalsContact C-N 3.31Å; L371-R373 PolarHBondContact O-N 3.23Å; L371-R374 WeakPolarHBondContact O-CB 3.37Å; L371-R374 PolarHBondContact O-N 3.27Å; L371-R374 VanDerWaalsContact O-N 3.07Å; L371-V375 PolarHBondContact O-N 3.05Å
372	I	91.1	Very high	88.2	Confident	111 Å²	111	84.5 Å²	84.5	57%	0.569	46%	0.461	S	S	*	.	H	α-helix	trans	-56.7	-45.7	173.3	-65.3	165.5	0	0	0	110.2	K368 R374 V375 V376	K368-I372 WeakPolarHBondContact O-CG1 3.47Å; K368-I372 PolarHBondContact O-N 3.47Å; I372-R374 VanDerWaalsContact C-N 3.32Å; I372-R374 PolarHBondContact O-N 3.43Å; I372-V375 WeakPolarHBondContact O-CB 3.35Å; I372-V375 PolarHBondContact O-N 2.91Å; I372-V376 HydrophobicContact CG2-CG2 4.47Å; I372-V376 WeakPolarHBondContact O-CG2 3.29Å; I372-V376 PolarHBondContact O-N 3.12Å
373	R	89.4	Confident	89	Confident	39 Å²	39	81.5 Å²	81.5	15%	0.147	45%	0.449	C	S	.	.	H	α-helix	trans	-64.1	-35.1	176.6	-174.8	49	172.5	-116.5	-8.6	112.7	M157 F195 C197 G369 M370 L371 V375 V376 N377	M157-R373 PolarHBondContact SD-NH1 2.92Å; F195-R373 PolarHBondContact O-NH2 3.28Å; C197-R373 PolarHBondContact O-NH1 3.26Å; C197-R373 PolarHBondContact O-NH2 3.08Å; G369-R373 WeakPolarHBondContact O-CB 3.44Å; G369-R373 PolarHBondContact O-N 3.2Å; M370-R373 PolarHBondContact O-N 2.84Å; L371-R373 VanDerWaalsContact C-N 3.31Å; L371-R373 PolarHBondContact O-N 3.23Å; R373-V375 VanDerWaalsContact C-N 3.35Å; R373-V376 PolarHBondContact O-N 3.06Å; R373-N377 WeakPolarHBondContact CD-OD1 3.34Å; R373-N377 PolarHBondContact NE-OD1 3.18Å; R373-N377 WeakPolarHBondContact O-CB 3.24Å; R373-N377 PolarHBondContact O-N 2.94Å; R373-N377 PolarHBondContact O-ND2 2.92Å; R373-N377 VanDerWaalsContact O-ND2 3.08Å
374	R	91.6	Very high	89.9	Confident	172 Å²	172	79.5 Å²	79.5	65%	0.649	43%	0.432	S	S	*	.	H	α-helix	trans	-61.8	-43.1	173.3	-172.3	177.5	-179.6	177.4	-0.2	111.2	M370 L371 I372 N377 I378	M370-R374 WeakPolarHBondContact O-CB 3.1Å; M370-R374 PolarHBondContact O-N 3.3Å; L371-R374 WeakPolarHBondContact O-CB 3.37Å; L371-R374 PolarHBondContact O-N 3.27Å; L371-R374 VanDerWaalsContact O-N 3.07Å; I372-R374 VanDerWaalsContact C-N 3.32Å; I372-R374 PolarHBondContact O-N 3.43Å; R374-N377 PolarHBondContact O-N 2.67Å; R374-I378 HydrophobicContact CG-CD1 4.04Å; R374-I378 VanDerWaalsContact O-CG1 3.29Å; R374-I378 WeakPolarHBondContact O-CG1 3.34Å; R374-I378 PolarHBondContact O-N 3.1Å; R374-I378 VanDerWaalsContact O-N 3.08Å
375	V	94.3	Very high	90.9	Very high	91 Å²	91	77 Å²	77	55%	0.552	42%	0.423	S	S	*	.	H	α-helix	trans	-60.8	-53.7	174.1	177.5	0	0	0	0	110.5	L371 I372 R373 N377 I378 S379	L371-V375 PolarHBondContact O-N 3.05Å; I372-V375 WeakPolarHBondContact O-CB 3.35Å; I372-V375 PolarHBondContact O-N 2.91Å; R373-V375 VanDerWaalsContact C-N 3.35Å; V375-N377 VanDerWaalsContact C-N 3.28Å; V375-N377 PolarHBondContact O-N 2.99Å; V375-I378 CarbonylContact O-C 3.53Å; V375-I378 WeakPolarHBondContact O-CA 3.46Å; V375-I378 PolarHBondContact O-N 2.96Å; V375-S379 PolarHBondContact O-N 2.87Å; V375-S379 PolarHBondContact O-OG 2.94Å
376	V	93.8	Very high	91.6	Very high	56 Å²	56	72.4 Å²	72.4	34%	0.339	41%	0.411	S	S	.	.	H	α-helix	trans	-54.3	-42.3	178.9	171.8	0	0	0	0	112.4	F195 I372 R373 S379 L380	F195-V376 HydrophobicContact CD1-CG1 4.19Å; F195-V376 HydrophobicContact CE1-CG1 3.99Å; I372-V376 HydrophobicContact CG2-CG2 4.47Å; I372-V376 WeakPolarHBondContact O-CG2 3.29Å; I372-V376 PolarHBondContact O-N 3.12Å; R373-V376 PolarHBondContact O-N 3.06Å; V376-S379 PolarHBondContact O-N 3.12Å; V376-L380 PolarHBondContact O-N 3.34Å
377	N	94.3	Very high	92.2	Very high	10 Å²	10	70.2 Å²	70.2	5%	0.053	39%	0.394	C	S	.	.	H	α-helix	trans	-69	-32	177.8	-63.8	-27.3	0	0	0	112.7	S212 V214 R373 R374 V375 G381	S212-N377 WeakPolarHBondContact CB-ND2 3.41Å; V214-N377 VanDerWaalsContact CG1-O 3.27Å; V214-N377 WeakPolarHBondContact CG1-O 3.47Å; R373-N377 WeakPolarHBondContact CD-OD1 3.34Å; R373-N377 PolarHBondContact NE-OD1 3.18Å; R373-N377 WeakPolarHBondContact O-CB 3.24Å; R373-N377 PolarHBondContact O-N 2.94Å; R373-N377 PolarHBondContact O-ND2 2.92Å; R373-N377 VanDerWaalsContact O-ND2 3.08Å; R374-N377 PolarHBondContact O-N 2.67Å; V375-N377 VanDerWaalsContact C-N 3.28Å; V375-N377 PolarHBondContact O-N 2.99Å; N377-G381 PolarHBondContact O-N 3.38Å
378	I	94.8	Very high	92.5	Very high	86 Å²	86	66.3 Å²	66.3	44%	0.441	37%	0.37	S	S	.	.	H	α-helix	trans	-72.1	-43	174.1	-69.2	165.6	0	0	0	109.9	R374 V375 L380 G381 V382	R374-I378 HydrophobicContact CG-CD1 4.04Å; R374-I378 VanDerWaalsContact O-CG1 3.29Å; R374-I378 WeakPolarHBondContact O-CG1 3.34Å; R374-I378 PolarHBondContact O-N 3.1Å; R374-I378 VanDerWaalsContact O-N 3.08Å; V375-I378 CarbonylContact O-C 3.53Å; V375-I378 WeakPolarHBondContact O-CA 3.46Å; V375-I378 PolarHBondContact O-N 2.96Å; I378-L380 VanDerWaalsContact C-N 3.29Å; I378-L380 PolarHBondContact O-N 3.38Å; I378-G381 WeakPolarHBondContact O-CA 3.38Å; I378-G381 PolarHBondContact O-N 2.88Å; I378-V382 PolarHBondContact O-N 2.96Å
379	S	95.5	Very high	92.7	Very high	69 Å²	69	61.7 Å²	61.7	48%	0.483	36%	0.357	S	S	.	.	H	α-helix	trans	-58.6	-38.9	173.8	-57.1	0	0	0	0	112.2	V375 V376 V382 L383	V375-S379 PolarHBondContact O-N 2.87Å; V375-S379 PolarHBondContact O-OG 2.94Å; V376-S379 PolarHBondContact O-N 3.12Å; S379-V382 PolarHBondContact O-N 3.31Å; S379-L383 WeakPolarHBondContact O-CB 3.36Å; S379-L383 PolarHBondContact O-N 2.79Å
380	L	94.9	Very high	92.8	Very high	4 Å²	4	61.7 Å²	61.7	2%	0.021	35%	0.348	C	S	.	.	H	α-helix	trans	-60	-46.5	170	176.9	72.2	0	0	0	111.7	F191 F195 T218 V376 I378 V382 L383 I384	F191-L380 HydrophobicContact CE1-CD1 3.78Å; F191-L380 HydrophobicContact CZ-CD1 4.4Å; F195-L380 HydrophobicContact CB-CD2 3.56Å; F195-L380 HydrophobicContact CD1-CB 4.47Å; F195-L380 HydrophobicContact CD1-CD1 4.49Å; F195-L380 HydrophobicContact CD1-CD2 4.01Å; F195-L380 HydrophobicContact CD2-CD1 3.83Å; F195-L380 HydrophobicContact CD2-CD2 3.86Å; F195-L380 HydrophobicContact CD2-CG 4.44Å; F195-L380 HydrophobicContact CE1-CD1 4.43Å; F195-L380 HydrophobicContact CE2-CD1 3.79Å; F195-L380 HydrophobicContact CG-CD1 4.21Å; F195-L380 HydrophobicContact CG-CD2 3.54Å; F195-L380 HydrophobicContact CG-CG 4.36Å; F195-L380 HydrophobicContact CZ-CD1 4.1Å; T218-L380 HydrophobicContact CG2-CD2 4.37Å; T218-L380 HydrophobicContact CG2-CG 4.45Å; V376-L380 PolarHBondContact O-N 3.34Å; I378-L380 VanDerWaalsContact C-N 3.29Å; I378-L380 PolarHBondContact O-N 3.38Å; L380-V382 VanDerWaalsContact C-N 3.31Å; L380-V382 PolarHBondContact O-N 2.92Å; L380-L383 PolarHBondContact O-N 3.29Å; L380-I384 HydrophobicContact CD1-CD1 4.47Å; L380-I384 HydrophobicContact CD1-CG1 3.99Å; L380-I384 HydrophobicContact CG-CG1 4.29Å; L380-I384 WeakPolarHBondContact O-CB 3.45Å; L380-I384 WeakPolarHBondContact O-CG1 3.39Å; L380-I384 PolarHBondContact O-N 2.96Å
381	G	94.8	Very high	92.9	Very high	26 Å²	26	59.1 Å²	59.1	27%	0.268	34%	0.335	S	S	.	.	H	α-helix	trans	-59	-41.8	177.6	0	0	0	0	0	112.6	N377 I378 G385	N377-G381 PolarHBondContact O-N 3.38Å; I378-G381 WeakPolarHBondContact O-CA 3.38Å; I378-G381 PolarHBondContact O-N 2.88Å; G381-G385 PolarHBondContact O-N 2.64Å
382	V	96	Very high	92.9	Very high	92 Å²	92	57.1 Å²	57.1	56%	0.558	33%	0.327	S	S	*	.	H	α-helix	trans	-65.8	-46.9	174.5	175.5	0	0	0	0	111.3	I378 S379 L380 I384 G385 V386	I378-V382 PolarHBondContact O-N 2.96Å; S379-V382 PolarHBondContact O-N 3.31Å; L380-V382 VanDerWaalsContact C-N 3.31Å; L380-V382 PolarHBondContact O-N 2.92Å; V382-I384 PolarHBondContact O-N 3.38Å; V382-G385 PolarHBondContact O-N 3.39Å; V382-G385 VanDerWaalsContact O-N 3.17Å; V382-V386 HydrophobicContact CG1-CG2 4.42Å; V382-V386 WeakPolarHBondContact O-CG2 3.44Å; V382-V386 PolarHBondContact O-N 2.85Å
383	L	95.1	Very high	92.8	Very high	72 Å²	72	58 Å²	58	38%	0.377	33%	0.331	S	S	.	.	H	α-helix	trans	-58.2	-50.1	178.6	177	64.1	0	0	0	111.9	F191 S379 L380 G385 V386 L387	F191-L383 HydrophobicContact CZ-CD2 4.38Å; S379-L383 WeakPolarHBondContact O-CB 3.36Å; S379-L383 PolarHBondContact O-N 2.79Å; L380-L383 PolarHBondContact O-N 3.29Å; L383-G385 VanDerWaalsContact C-N 3.29Å; L383-G385 PolarHBondContact O-N 2.95Å; L383-V386 PolarHBondContact O-N 2.78Å; L383-L387 HydrophobicContact CD1-CD1 3.79Å; L383-L387 HydrophobicContact CD1-CG 4.11Å; L383-L387 HydrophobicContact CG-CD1 3.99Å; L383-L387 WeakPolarHBondContact O-CB 3.48Å; L383-L387 WeakPolarHBondContact O-CG 3.28Å; L383-L387 PolarHBondContact O-N 3.24Å
384	I	94.9	Very high	92.7	Very high	5 Å²	5	56.9 Å²	56.9	3%	0.026	33%	0.327	C	S	.	.	H	α-helix	trans	-64.2	-36.3	177.3	-63.3	-63.7	0	0	0	110.6	F191 L192 T218 L380 V382 S388 I411 V412	F191-I384 HydrophobicContact CE1-CD1 4.48Å; L192-I384 HydrophobicContact CD2-CD1 3.91Å; L192-I384 HydrophobicContact CD2-CG1 4.2Å; T218-I384 HydrophobicContact CG2-CB 4.26Å; T218-I384 HydrophobicContact CG2-CG1 4Å; T218-I384 HydrophobicContact CG2-CG2 4.24Å; L380-I384 HydrophobicContact CD1-CD1 4.47Å; L380-I384 HydrophobicContact CD1-CG1 3.99Å; L380-I384 HydrophobicContact CG-CG1 4.29Å; L380-I384 WeakPolarHBondContact O-CB 3.45Å; L380-I384 WeakPolarHBondContact O-CG1 3.39Å; L380-I384 PolarHBondContact O-N 2.96Å; V382-I384 PolarHBondContact O-N 3.38Å; I384-S388 VanDerWaalsContact O-CB 3.24Å; I384-S388 WeakPolarHBondContact O-CB 3.44Å; I384-S388 PolarHBondContact O-N 3.3Å; I384-S388 PolarHBondContact O-OG 2.83Å; I384-I411 HydrophobicContact CD1-CG2 3.88Å; I384-V412 HydrophobicContact CD1-CG2 3.67Å; I384-V412 HydrophobicContact CG2-CG2 4.43Å
385	G	93.3	Very high	92.5	Very high	42 Å²	42	49.5 Å²	49.5	43%	0.433	30%	0.301	S	S	.	.	H	α-helix	trans	-60.5	-49.7	173.4	0	0	0	0	0	113	G381 V382 L383 S388	G381-G385 PolarHBondContact O-N 2.64Å; V382-G385 PolarHBondContact O-N 3.39Å; V382-G385 VanDerWaalsContact O-N 3.17Å; L383-G385 VanDerWaalsContact C-N 3.29Å; L383-G385 PolarHBondContact O-N 2.95Å; G385-S388 WeakPolarHBondContact O-CB 3.44Å; G385-S388 PolarHBondContact O-N 3.17Å
386	V	93.5	Very high	92.2	Very high	93 Å²	93	51.4 Å²	51.4	56%	0.564	31%	0.307	S	S	*	.	H	α-helix	trans	-63.4	-49.3	178.3	171.9	0	0	0	0	111.4	V382 L383 S388 V389	V382-V386 HydrophobicContact CG1-CG2 4.42Å; V382-V386 WeakPolarHBondContact O-CG2 3.44Å; V382-V386 PolarHBondContact O-N 2.85Å; L383-V386 PolarHBondContact O-N 2.78Å; V386-S388 PolarHBondContact O-N 2.82Å; V386-V389 WeakPolarHBondContact O-CB 3.29Å; V386-V389 WeakPolarHBondContact O-CG2 3.44Å; V386-V389 PolarHBondContact O-N 3.23Å; V386-V389 VanDerWaalsContact O-N 3.09Å
387	L	92.5	Very high	91.9	Very high	44 Å²	44	50.5 Å²	50.5	23%	0.23	30%	0.303	C	S	.	.	H	α-helix	trans	-66.7	-19.6	178.4	-66.9	176.8	0	0	0	113	L383 V389 P390 I411 V412	L383-L387 HydrophobicContact CD1-CD1 3.79Å; L383-L387 HydrophobicContact CD1-CG 4.11Å; L383-L387 HydrophobicContact CG-CD1 3.99Å; L383-L387 WeakPolarHBondContact O-CB 3.48Å; L383-L387 WeakPolarHBondContact O-CG 3.28Å; L383-L387 PolarHBondContact O-N 3.24Å; L387-V389 VanDerWaalsContact C-N 3.33Å; L387-P390 WeakPolarHBondContact O-CD 3.1Å; L387-I411 HydrophobicContact CD1-CB 4.04Å; L387-I411 HydrophobicContact CD1-CG2 3.81Å; L387-V412 HydrophobicContact CB-CB 3.81Å; L387-V412 HydrophobicContact CB-CG2 3.42Å; L387-V412 VanDerWaalsContact CB-CG2 3.42Å; L387-V412 HydrophobicContact CD1-CG2 4.01Å; L387-V412 HydrophobicContact CG-CG2 4.38Å
388	S	92.6	Very high	91.3	Very high	6 Å²	6	55.4 Å²	55.4	4%	0.042	34%	0.336	C	S	.	.	H	α-helix	trans	-75.9	-15.5	173.2	-62.9	0	0	0	0	114	W221 I384 G385 V386 V391 V392	W221-S388 PolarHBondContact NE1-OG 3.41Å; I384-S388 VanDerWaalsContact O-CB 3.24Å; I384-S388 WeakPolarHBondContact O-CB 3.44Å; I384-S388 PolarHBondContact O-N 3.3Å; I384-S388 PolarHBondContact O-OG 2.83Å; G385-S388 WeakPolarHBondContact O-CB 3.44Å; G385-S388 PolarHBondContact O-N 3.17Å; V386-S388 PolarHBondContact O-N 2.82Å; S388-V391 PolarHBondContact O-N 2.87Å; S388-V392 WeakPolarHBondContact O-CB 3.46Å; S388-V392 WeakPolarHBondContact O-CG2 3.31Å; S388-V392 PolarHBondContact O-N 2.81Å
389	V	90.9	Very high	90.7	Very high	80 Å²	80	62 Å²	62	49%	0.485	36%	0.355	S	S	.	.	H	α-helix	trans	-57.1	-56.8	-179.6	176.5	0	0	0	0	112.5	V386 L387 V391 V392 M393	V386-V389 WeakPolarHBondContact O-CB 3.29Å; V386-V389 WeakPolarHBondContact O-CG2 3.44Å; V386-V389 PolarHBondContact O-N 3.23Å; V386-V389 VanDerWaalsContact O-N 3.09Å; L387-V389 VanDerWaalsContact C-N 3.33Å; V389-V391 VanDerWaalsContact C-N 3.26Å; V389-V391 PolarHBondContact O-N 3Å; V389-V392 PolarHBondContact O-N 2.9Å; V389-M393 HydrophobicContact CG1-SD 3.98Å; V389-M393 WeakPolarHBondContact O-CG 3.38Å; V389-M393 PolarHBondContact O-N 3.41Å
390	P	90.2	Very high	90.1	Very high	47 Å²	47	59.4 Å²	59.4	31%	0.305	34%	0.335	S	S	.	.	H	α-helix	trans	-62.2	-33.6	177.6	24.4	-35	0	0	0	112.8	L387 M393 N394 F406	L387-P390 WeakPolarHBondContact O-CD 3.1Å; P390-M393 PolarHBondContact O-N 2.66Å; P390-N394 WeakPolarHBondContact O-CB 3.48Å; P390-N394 PolarHBondContact O-N 2.7Å; P390-F406 HydrophobicContact CB-CB 4.49Å; P390-F406 HydrophobicContact CB-CD1 4.09Å; P390-F406 HydrophobicContact CB-CD2 4.14Å; P390-F406 HydrophobicContact CB-CE1 4.36Å; P390-F406 HydrophobicContact CB-CE2 4.4Å; P390-F406 HydrophobicContact CB-CG 3.98Å; P390-F406 HydrophobicContact CG-CB 4.22Å; P390-F406 HydrophobicContact CG-CD2 4.28Å; P390-F406 HydrophobicContact CG-CG 4.15Å
391	V	88.3	Confident	89.3	Confident	1 Å²	1	63.2 Å²	63.2	1%	0.006	36%	0.358	C	S	.	.	H	α-helix	trans	-65.8	-44.1	177.1	174.9	0	0	0	0	111.5	R225 S388 V389 N394 L395 F406 V412 N413 T414	R225-V391 HydrophobicContact CG-CG1 4.49Å; S388-V391 PolarHBondContact O-N 2.87Å; V389-V391 VanDerWaalsContact C-N 3.26Å; V389-V391 PolarHBondContact O-N 3Å; V391-N394 PolarHBondContact O-N 3.47Å; V391-L395 HydrophobicContact CG1-CD1 4.26Å; V391-L395 WeakPolarHBondContact O-CG 3.49Å; V391-L395 PolarHBondContact O-N 2.88Å; V391-F406 HydrophobicContact CG2-CD2 3.74Å; V391-F406 HydrophobicContact CG2-CE2 3.85Å; V391-V412 HydrophobicContact CG2-CG1 4.08Å; V391-N413 WeakPolarHBondContact CG1-O 3.3Å; V391-T414 HydrophobicContact CB-CG2 4.3Å; V391-T414 HydrophobicContact CG1-CG2 3.86Å; V391-T414 HydrophobicContact CG2-CG2 4.26Å
392	V	89.3	Confident	88.5	Confident	54 Å²	54	66 Å²	66	33%	0.327	37%	0.366	S	S	.	.	H	α-helix	trans	-67.5	-40.7	175.7	171.4	0	0	0	0	111	W221 S388 V389 N394 L395 L396	W221-V392 HydrophobicContact CH2-CG2 3.92Å; W221-V392 HydrophobicContact CZ2-CG2 3.74Å; S388-V392 WeakPolarHBondContact O-CB 3.46Å; S388-V392 WeakPolarHBondContact O-CG2 3.31Å; S388-V392 PolarHBondContact O-N 2.81Å; V389-V392 PolarHBondContact O-N 2.9Å; V392-N394 VanDerWaalsContact C-N 3.3Å; V392-N394 PolarHBondContact O-N 2.84Å; V392-L395 PolarHBondContact O-N 2.78Å; V392-L396 HydrophobicContact CG1-CD1 3.99Å; V392-L396 HydrophobicContact CG1-CG 4.38Å; V392-L396 WeakPolarHBondContact O-CG 3.43Å; V392-L396 PolarHBondContact O-N 3.34Å
393	M	89.3	Confident	87.6	Confident	130 Å²	130	64.5 Å²	64.5	64%	0.64	35%	0.354	S	S	*	.	H	α-helix	trans	-59.2	-40.7	173	-69.1	174.7	72.5	0	0	111.8	V389 P390 L396 S397	V389-M393 HydrophobicContact CG1-SD 3.98Å; V389-M393 WeakPolarHBondContact O-CG 3.38Å; V389-M393 PolarHBondContact O-N 3.41Å; P390-M393 PolarHBondContact O-N 2.66Å; M393-L396 PolarHBondContact O-N 3.35Å; M393-S397 WeakPolarHBondContact O-CB 3.5Å; M393-S397 PolarHBondContact O-N 3.23Å
394	N	87.5	Confident	86.5	Confident	14 Å²	14	62.9 Å²	62.9	8%	0.075	35%	0.347	C	S	.	.	H	α-helix	trans	-68.6	-35.2	174.8	-176.3	72.5	0	0	0	113.3	P390 V391 V392 S397 Q400 V401 F406 T414	P390-N394 WeakPolarHBondContact O-CB 3.48Å; P390-N394 PolarHBondContact O-N 2.7Å; V391-N394 PolarHBondContact O-N 3.47Å; V392-N394 VanDerWaalsContact C-N 3.3Å; V392-N394 PolarHBondContact O-N 2.84Å; N394-S397 WeakPolarHBondContact O-CB 3.42Å; N394-S397 PolarHBondContact O-N 3.18Å; N394-Q400 WeakPolarHBondContact O-CB 3.18Å; N394-V401 PolarHBondContact ND2-N 3.07Å; N394-V401 PolarHBondContact ND2-O 3.44Å; N394-V401 PolarHBondContact OD1-N 3.42Å; N394-F406 HydrophobicContact CB-CZ 4.11Å; N394-T414 HydrophobicContact CB-CG2 4.02Å; N394-T414 WeakPolarHBondContact ND2-CG2 3.33Å
395	L	86.6	Confident	85.6	Confident	18 Å²	18	64.4 Å²	64.4	9%	0.094	36%	0.359	C	S	.	.	H	α-helix	trans	-68.6	-34.1	173.7	-70.8	168.7	0	0	0	112.2	R225 L232 R236 V391 V392	R225-L395 HydrophobicContact CG-CD1 4.31Å; L232-L395 HydrophobicContact CD1-CB 4.44Å; L232-L395 HydrophobicContact CD1-CD2 4.24Å; R236-L395 VanDerWaalsContact CZ-O 3.32Å; R236-L395 PolarHBondContact NH1-O 2.76Å; R236-L395 PolarHBondContact NH2-O 2.83Å; V391-L395 HydrophobicContact CG1-CD1 4.26Å; V391-L395 WeakPolarHBondContact O-CG 3.49Å; V391-L395 PolarHBondContact O-N 2.88Å; V392-L395 PolarHBondContact O-N 2.78Å
396	L	88.6	Confident	84.8	Confident	131 Å²	131	67 Å²	67	69%	0.686	36%	0.358	S	S	*	.	H	α-helix	trans	-76.9	-27.4	174.5	-66.4	173.3	0	0	0	112.7	V392 M393	V392-L396 HydrophobicContact CG1-CD1 3.99Å; V392-L396 HydrophobicContact CG1-CG 4.38Å; V392-L396 WeakPolarHBondContact O-CG 3.43Å; V392-L396 PolarHBondContact O-N 3.34Å; M393-L396 PolarHBondContact O-N 3.35Å
397	S	86.5	Confident	84.1	Confident	37 Å²	37	63.8 Å²	63.8	26%	0.259	34%	0.338	S	S	.	.	S	Bend	trans	-57.5	133.5	177.6	-178	0	0	0	0	112.8	R236 M393 N394 R399 Q400	R236-S397 PolarHBondContact NH1-O 3.22Å; R236-S397 PolarHBondContact NH2-O 3.29Å; M393-S397 WeakPolarHBondContact O-CB 3.5Å; M393-S397 PolarHBondContact O-N 3.23Å; N394-S397 WeakPolarHBondContact O-CB 3.42Å; N394-S397 PolarHBondContact O-N 3.18Å; S397-R399 PolarHBondContact O-N 3.47Å; S397-R399 PolarHBondContact OG-N 2.93Å; S397-R399 PolarHBondContact OG-O 3.47Å; S397-Q400 PolarHBondContact O-N 3.41Å
398	P	83	Confident	83.3	Confident	112 Å²	112	65.6 Å²	65.6	73%	0.727	35%	0.352	S	S	*	.	S	Bend	trans	-60.6	-28.3	166	-22.9	34.1	0	0	0	112.9
399	R	81.8	Confident	82.6	Confident	225 Å²	225	68.7 Å²	68.7	85%	0.849	37%	0.368	S	S	*	.	S	Bend	trans	-102.2	60.5	175.9	-61.9	-176.9	-177.7	178.5	1.3	109.8	S397 V401	S397-R399 PolarHBondContact O-N 3.47Å; S397-R399 PolarHBondContact OG-N 2.93Å; S397-R399 PolarHBondContact OG-O 3.47Å; R399-V401 PolarHBondContact O-N 2.84Å
400	Q	82.6	Confident	82.2	Confident	14 Å²	14	67.1 Å²	67.1	7%	0.065	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-63	123.1	177.2	177.7	-170.4	-17.1	0	0	110.7	G229 L232 I233 N394 S397	G229-Q400 PolarHBondContact O-NE2 3.21Å; L232-Q400 VanDerWaalsContact CB-OE1 3.26Å; I233-Q400 HydrophobicContact CD1-CB 4.16Å; I233-Q400 HydrophobicContact CD1-CG 4.11Å; I233-Q400 WeakPolarHBondContact CD1-O 3.4Å; N394-Q400 WeakPolarHBondContact O-CB 3.18Å; S397-Q400 PolarHBondContact O-N 3.41Å
401	V	79.1	Confident	82	Confident	84 Å²	84	65.5 Å²	65.5	51%	0.509	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-86	137.7	171.5	-161	0	0	0	0	110.1	N394 R399 T404 T414	N394-V401 PolarHBondContact ND2-N 3.07Å; N394-V401 PolarHBondContact ND2-O 3.44Å; N394-V401 PolarHBondContact OD1-N 3.42Å; R399-V401 PolarHBondContact O-N 2.84Å; V401-T404 VanDerWaalsContact CG1-OG1 3.24Å; V401-T404 WeakPolarHBondContact CG1-OG1 3.38Å; V401-T414 PolarHBondContact O-OG1 3.07Å
402	M	77.9	Confident	82	Confident	85 Å²	85	65.5 Å²	65.5	42%	0.419	34%	0.342	S	S	.	.	S	Bend	trans	-92.4	145.9	-175.4	-178.2	167.8	71.9	0	0	111.8	I233 T404 G416	I233-M402 HydrophobicContact CG1-CB 4.45Å; I233-M402 HydrophobicContact CG1-SD 4.36Å; M402-T404 PolarHBondContact O-N 2.84Å; M402-T404 VanDerWaalsContact O-N 3.11Å; M402-T404 PolarHBondContact O-OG1 3.27Å; M402-T404 VanDerWaalsContact O-OG1 3.04Å; M402-G416 VanDerWaalsContact SD-O 3.37Å
403	N	76.1	Confident	82	Confident	60 Å²	60	63 Å²	63	32%	0.321	33%	0.327	S	S	.	.	S	Bend	trans	49.4	39.8	170.3	-61.8	-26.4	0	0	0	114.7	T414 Y415 G416	N403-T414 VanDerWaalsContact CA-O 3.27Å; N403-T414 WeakPolarHBondContact CA-O 3.35Å; N403-Y415 WeakPolarHBondContact OD1-CA 3.33Å; N403-G416 PolarHBondContact ND2-O 2.85Å; N403-G416 PolarHBondContact OD1-N 2.86Å; N403-G416 PolarHBondContact OD1-O 3.35Å; N403-G416 VanDerWaalsContact OD1-O 3.14Å
404	T	72.7	Confident	81.7	Confident	38 Å²	38	56.9 Å²	56.9	23%	0.233	30%	0.297	C	S	.	.			trans	-100.9	131.7	-174.3	-51.1	0	0	0	0	110.9	V401 M402 F406 T414	V401-T404 VanDerWaalsContact CG1-OG1 3.24Å; V401-T404 WeakPolarHBondContact CG1-OG1 3.38Å; M402-T404 PolarHBondContact O-N 2.84Å; M402-T404 VanDerWaalsContact O-N 3.11Å; M402-T404 PolarHBondContact O-OG1 3.27Å; M402-T404 VanDerWaalsContact O-OG1 3.04Å; T404-F406 HydrophobicContact CG2-CE1 4.32Å; T404-F406 HydrophobicContact CG2-CZ 4.29Å; T404-T414 WeakPolarHBondContact CB-OG1 3.23Å; T404-T414 PolarHBondContact N-OG1 2.68Å; T404-T414 PolarHBondContact O-N 3.29Å; T404-T414 PolarHBondContact O-OG1 3.45Å
405	S	75.8	Confident	81.5	Confident	38 Å²	38	56.6 Å²	56.6	27%	0.266	30%	0.295	S	S	.	.	B	Isolated β-bridge	trans	-95.2	129	167.5	-55.9	0	0	0	0	109	R410 N413	S405-R410 WeakPolarHBondContact OG-CD 3.29Å; S405-R410 WeakPolarHBondContact OG-CG 3.46Å; S405-N413 WeakPolarHBondContact CA-OD1 3.46Å; S405-N413 VanDerWaalsContact CB-OD1 3.3Å; S405-N413 WeakPolarHBondContact CB-OD1 3.47Å; S405-N413 PolarHBondContact OG-OD1 2.94Å
406	F	76.7	Confident	81.2	Confident	96 Å²	96	56.1 Å²	56.1	42%	0.421	29%	0.294	S	S	.	.	S	Bend	trans	-92.9	-7.2	176.3	-64.9	-79.5	0	0	0	113.1	P390 V391 N394 T404 T414	P390-F406 HydrophobicContact CB-CB 4.49Å; P390-F406 HydrophobicContact CB-CD1 4.09Å; P390-F406 HydrophobicContact CB-CD2 4.14Å; P390-F406 HydrophobicContact CB-CE1 4.36Å; P390-F406 HydrophobicContact CB-CE2 4.4Å; P390-F406 HydrophobicContact CB-CG 3.98Å; P390-F406 HydrophobicContact CG-CB 4.22Å; P390-F406 HydrophobicContact CG-CD2 4.28Å; P390-F406 HydrophobicContact CG-CG 4.15Å; V391-F406 HydrophobicContact CG2-CD2 3.74Å; V391-F406 HydrophobicContact CG2-CE2 3.85Å; N394-F406 HydrophobicContact CB-CZ 4.11Å; T404-F406 HydrophobicContact CG2-CE1 4.32Å; T404-F406 HydrophobicContact CG2-CZ 4.29Å; F406-T414 HydrophobicContact CE2-CG2 3.73Å; F406-T414 HydrophobicContact CZ-CG2 4.34Å
407	D	78.9	Confident	80.7	Confident	25 Å²	25	51.2 Å²	51.2	13%	0.134	27%	0.272	C	S	.	.	S	Bend	trans	-132.1	147.5	-180	75.8	96.6	0	0	0	111.3	L409 R410 I411 V412	D407-L409 PolarHBondContact O-N 2.88Å; D407-L409 VanDerWaalsContact O-N 3.17Å; D407-L409 VanDerWaalsContact OD1-C 3.24Å; D407-L409 VanDerWaalsContact OD1-CA 3.32Å; D407-L409 WeakPolarHBondContact OD1-CA 3.11Å; D407-L409 WeakPolarHBondContact OD1-CB 3.46Å; D407-L409 PolarHBondContact OD1-N 3.25Å; D407-R410 PolarHBondContact O-N 3.36Å; D407-R410 PolarHBondContact OD1-N 3.01Å; D407-I411 PolarHBondContact OD1-N 2.83Å; D407-I411 VanDerWaalsContact OD1-N 3.14Å; D407-I411 PolarHBondContact OD2-N 2.83Å; D407-V412 PolarHBondContact OD2-N 2.94Å
408	P	74.4	Confident	80.3	Confident	82 Å²	82	51.4 Å²	51.4	53%	0.532	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-15.3	-178.9	-23.3	34.4	0	0	0	115.4	P120	P120-P408 HydrophobicContact CG-CB 4.46Å
409	L	78	Confident	80.2	Confident	72 Å²	72	46.3 Å²	46.3	38%	0.377	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-3.6	177.7	-55.9	179.2	0	0	0	112.3	P120 W164 H168 D407 I411	P120-L409 HydrophobicContact CB-CD2 4.46Å; P120-L409 HydrophobicContact CG-CD2 4.34Å; W164-L409 HydrophobicContact CH2-CB 4.45Å; W164-L409 HydrophobicContact CH2-CD2 4.45Å; H168-L409 WeakPolarHBondContact NE2-CA 3.45Å; H168-L409 PolarHBondContact NE2-O 3.29Å; D407-L409 PolarHBondContact O-N 2.88Å; D407-L409 VanDerWaalsContact O-N 3.17Å; D407-L409 VanDerWaalsContact OD1-C 3.24Å; D407-L409 VanDerWaalsContact OD1-CA 3.32Å; D407-L409 WeakPolarHBondContact OD1-CA 3.11Å; D407-L409 WeakPolarHBondContact OD1-CB 3.46Å; D407-L409 PolarHBondContact OD1-N 3.25Å; L409-I411 HydrophobicContact CB-CD1 3.68Å; L409-I411 HydrophobicContact CB-CG1 3.72Å; L409-I411 HydrophobicContact CD1-CD1 3.9Å; L409-I411 HydrophobicContact CG-CD1 4.45Å; L409-I411 PolarHBondContact O-N 3.41Å
410	R	83.3	Confident	80.3	Confident	46 Å²	46	39.4 Å²	39.4	17%	0.174	22%	0.223	C	C	.	.			trans	51.2	41.1	179.6	-44.2	-164.9	-163.7	-175	4.9	112.7	N172 S184 L187 S405 D407 N413	N172-R410 PolarHBondContact OD1-NH2 3.43Å; S184-R410 VanDerWaalsContact OG-CD 3.28Å; S184-R410 WeakPolarHBondContact OG-CD 3.26Å; S184-R410 PolarHBondContact OG-NH1 2.91Å; L187-R410 HydrophobicContact CD1-CB 4.31Å; L187-R410 HydrophobicContact CD1-CG 4.42Å; S405-R410 WeakPolarHBondContact OG-CD 3.29Å; S405-R410 WeakPolarHBondContact OG-CG 3.46Å; D407-R410 PolarHBondContact O-N 3.36Å; D407-R410 PolarHBondContact OD1-N 3.01Å; R410-N413 PolarHBondContact O-ND2 2.84Å
411	I	85.9	Confident	80.6	Confident	13 Å²	13	39.3 Å²	39.3	7%	0.067	22%	0.223	C	C	.	.			trans	-77.9	-34.4	-172.3	-67.1	171.3	0	0	0	112.2	E188 F191 I384 L387 D407 L409	E188-I411 WeakPolarHBondContact CG-O 3.5Å; F191-I411 HydrophobicContact CD1-CG2 3.74Å; F191-I411 HydrophobicContact CD2-CG1 4.46Å; F191-I411 HydrophobicContact CE1-CG2 3.6Å; F191-I411 HydrophobicContact CE2-CD1 4.11Å; F191-I411 HydrophobicContact CG-CG1 4.47Å; F191-I411 HydrophobicContact CG-CG2 4.44Å; F191-I411 HydrophobicContact CZ-CD1 4.11Å; F191-I411 HydrophobicContact CZ-CG2 4.21Å; I384-I411 HydrophobicContact CD1-CG2 3.88Å; L387-I411 HydrophobicContact CD1-CB 4.04Å; L387-I411 HydrophobicContact CD1-CG2 3.81Å; D407-I411 PolarHBondContact OD1-N 2.83Å; D407-I411 VanDerWaalsContact OD1-N 3.14Å; D407-I411 PolarHBondContact OD2-N 2.83Å; L409-I411 HydrophobicContact CB-CD1 3.68Å; L409-I411 HydrophobicContact CB-CG1 3.72Å; L409-I411 HydrophobicContact CD1-CD1 3.9Å; L409-I411 HydrophobicContact CG-CD1 4.45Å; L409-I411 PolarHBondContact O-N 3.41Å
412	V	87.4	Confident	81	Confident	1 Å²	1	37.7 Å²	37.7	1%	0.006	21%	0.213	C	C	.	.	S	Bend	trans	-137.3	112	174.2	-167.2	0	0	0	0	110.6	E188 I384 L387 V391 D407	E188-V412 WeakPolarHBondContact OE2-CA 3.3Å; I384-V412 HydrophobicContact CD1-CG2 3.67Å; I384-V412 HydrophobicContact CG2-CG2 4.43Å; L387-V412 HydrophobicContact CB-CB 3.81Å; L387-V412 HydrophobicContact CB-CG2 3.42Å; L387-V412 VanDerWaalsContact CB-CG2 3.42Å; L387-V412 HydrophobicContact CD1-CG2 4.01Å; L387-V412 HydrophobicContact CG-CG2 4.38Å; V391-V412 HydrophobicContact CG2-CG1 4.08Å; D407-V412 PolarHBondContact OD2-N 2.94Å
413	N	88.9	Confident	81.7	Confident	1 Å²	1	38.9 Å²	38.9	1%	0.005	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-114.1	164.6	-170.4	-50	-90.9	0	0	0	112.7	E188 R225 V391 S405 R410 Y415	E188-N413 PolarHBondContact OE2-N 2.93Å; E188-N413 PolarHBondContact OE2-ND2 3.43Å; R225-N413 PolarHBondContact NH1-O 2.97Å; V391-N413 WeakPolarHBondContact CG1-O 3.3Å; S405-N413 WeakPolarHBondContact CA-OD1 3.46Å; S405-N413 VanDerWaalsContact CB-OD1 3.3Å; S405-N413 WeakPolarHBondContact CB-OD1 3.47Å; S405-N413 PolarHBondContact OG-OD1 2.94Å; R410-N413 PolarHBondContact O-ND2 2.84Å; N413-Y415 HydrophobicContact CB-CE1 4.06Å; N413-Y415 HydrophobicContact CB-CE2 4.23Å; N413-Y415 PolarHBondContact ND2-OH 3Å
414	T	83.1	Confident	82.5	Confident	2 Å²	2	39.5 Å²	39.5	1%	0.012	22%	0.216	C	C	.	.			trans	-88.2	148.7	158.3	61.4	0	0	0	0	110.2	V391 N394 V401 N403 T404 F406	V391-T414 HydrophobicContact CB-CG2 4.3Å; V391-T414 HydrophobicContact CG1-CG2 3.86Å; V391-T414 HydrophobicContact CG2-CG2 4.26Å; N394-T414 HydrophobicContact CB-CG2 4.02Å; N394-T414 WeakPolarHBondContact ND2-CG2 3.33Å; V401-T414 PolarHBondContact O-OG1 3.07Å; N403-T414 VanDerWaalsContact CA-O 3.27Å; N403-T414 WeakPolarHBondContact CA-O 3.35Å; T404-T414 WeakPolarHBondContact CB-OG1 3.23Å; T404-T414 PolarHBondContact N-OG1 2.68Å; T404-T414 PolarHBondContact O-N 3.29Å; T404-T414 PolarHBondContact O-OG1 3.45Å; F406-T414 HydrophobicContact CE2-CG2 3.73Å; F406-T414 HydrophobicContact CZ-CG2 4.34Å
415	Y	85.1	Confident	83.5	Confident	9 Å²	9	37.7 Å²	37.7	4%	0.035	21%	0.205	C	C	.	.			trans	-126.9	147.6	176.6	-60.5	-68.5	0	0	0	110.3	Q185 E188 L222 I226 G229 N403 N413	Q185-Y415 WeakPolarHBondContact CA-OH 3.46Å; Q185-Y415 HydrophobicContact CB-CD1 4.35Å; Q185-Y415 HydrophobicContact CB-CE1 3.57Å; Q185-Y415 HydrophobicContact CG-CE1 4.02Å; E188-Y415 PolarHBondContact OE2-OH 3.34Å; L222-Y415 HydrophobicContact CD1-CE2 3.69Å; I226-Y415 HydrophobicContact CB-CD2 4.38Å; I226-Y415 HydrophobicContact CG1-CD2 3.49Å; I226-Y415 VanDerWaalsContact CG1-CD2 3.49Å; I226-Y415 HydrophobicContact CG1-CE2 3.91Å; I226-Y415 HydrophobicContact CG1-CG 4Å; G229-Y415 CarbonylContact C-O 3.23Å; G229-Y415 VanDerWaalsContact C-O 3.23Å; G229-Y415 VanDerWaalsContact CA-O 3.29Å; G229-Y415 WeakPolarHBondContact CA-O 3.37Å; N403-Y415 WeakPolarHBondContact OD1-CA 3.33Å; N413-Y415 HydrophobicContact CB-CE1 4.06Å; N413-Y415 HydrophobicContact CB-CE2 4.23Å; N413-Y415 PolarHBondContact ND2-OH 3Å
416	G	80.2	Confident	84.4	Confident	7 Å²	7	36.7 Å²	36.7	7%	0.072	20%	0.198	C	C	.	.			trans	-165.7	149.4	170.5	0	0	0	0	0	111	M402 N403	M402-G416 VanDerWaalsContact SD-O 3.37Å; N403-G416 PolarHBondContact ND2-O 2.85Å; N403-G416 PolarHBondContact OD1-N 2.86Å; N403-G416 PolarHBondContact OD1-O 3.35Å; N403-G416 VanDerWaalsContact OD1-O 3.14Å
417	A	77.8	Confident	85.3	Confident	28 Å²	28	32.1 Å²	32.1	23%	0.231	18%	0.178	C	C	.	.			trans	-139.5	133.6	179.9	0	0	0	0	0	109.2	K234 G419	K234-A417 VanDerWaalsContact CE-O 3.31Å; K234-A417 WeakPolarHBondContact CE-O 3.5Å; A417-G419 VanDerWaalsContact C-N 3.3Å; A417-G419 PolarHBondContact O-N 3.19Å
418	F	78.6	Confident	86.2	Confident	41 Å²	41	31 Å²	31	18%	0.18	17%	0.172	C	C	.	.			trans	54.2	38.6	171.9	-55.8	-66.8	0	0	0	115.3	W241 H250 P255 L317 S420 I421	W241-F418 HydrophobicContact CZ2-CB 4.41Å; W241-F418 WeakPolarHBondContact CZ2-O 3.33Å; W241-F418 PolarHBondContact NE1-O 3.38Å; H250-F418 AromaticContact CE1-CD1 3.82Å; H250-F418 AromaticContact CE1-CD2 3.82Å; H250-F418 AromaticContact CE1-CE1 3.97Å; H250-F418 AromaticContact CE1-CE2 3.97Å; H250-F418 AromaticContact CE1-CG 3.75Å; P255-F418 HydrophobicContact CG-CE1 4.25Å; P255-F418 HydrophobicContact CG-CZ 4.33Å; L317-F418 HydrophobicContact CD1-CE2 4.04Å; L317-F418 HydrophobicContact CD2-CE2 3.72Å; L317-F418 HydrophobicContact CD2-CZ 3.66Å; F418-S420 PolarHBondContact O-N 2.64Å; F418-I421 HydrophobicContact CB-CD1 3.83Å; F418-I421 HydrophobicContact CD1-CD1 4.4Å; F418-I421 HydrophobicContact CG-CD1 4.44Å
419	G	79.1	Confident	87.2	Confident	5 Å²	5	27.2 Å²	27.2	5%	0.052	15%	0.147	C	C	.	.	S	Bend	trans	-57.9	-30.8	174.7	0	0	0	0	0	113.6	G237 D238 A417	G237-G419 CarbonylContact C-O 3.53Å; G237-G419 VanDerWaalsContact CA-O 3.29Å; G237-G419 WeakPolarHBondContact CA-O 3.46Å; D238-G419 PolarHBondContact N-O 3.14Å; D238-G419 VanDerWaalsContact N-O 3.16Å; A417-G419 VanDerWaalsContact C-N 3.3Å; A417-G419 PolarHBondContact O-N 3.19Å
420	S	84.8	Confident	88.2	Confident	81 Å²	81	23.8 Å²	23.8	57%	0.566	13%	0.129	S	C	*	.	S	Bend	trans	-124.9	148.7	169.2	-49.5	0	0	0	0	110.1	G237 F418	G237-S420 PolarHBondContact O-OG 3.46Å; F418-S420 PolarHBondContact O-N 2.64Å
421	I	88.6	Confident	88.9	Confident	12 Å²	12	22.3 Å²	22.3	6%	0.062	12%	0.124	C	C	.	.			trans	-122.6	122	-174.8	-66.3	-67.4	0	0	0	110.8	D238 W241 C246 H250 F418 K423	D238-I421 PolarHBondContact OD2-N 2.97Å; W241-I421 HydrophobicContact CZ2-CD1 4.08Å; W241-I421 HydrophobicContact CZ2-CG1 4.04Å; C246-I421 HydrophobicContact CB-CG1 4.01Å; H250-I421 HydrophobicContact CB-CD1 4.35Å; F418-I421 HydrophobicContact CB-CD1 3.83Å; F418-I421 HydrophobicContact CD1-CD1 4.4Å; F418-I421 HydrophobicContact CG-CD1 4.44Å; I421-K423 PolarHBondContact O-N 2.98Å
422	T	88.6	Confident	89.4	Confident	49 Å²	49	21.7 Å²	21.7	30%	0.301	12%	0.121	S	C	.	.			trans	-65.1	132.7	169.9	-35.2	0	0	0	0	109.8	T253 E424 F480	T253-T422 VanDerWaalsContact CB-O 3.24Å; T253-T422 WeakPolarHBondContact CB-O 3.45Å; T253-T422 WeakPolarHBondContact CG2-O 3.43Å; T253-T422 PolarHBondContact OG1-O 3.03Å; T422-E424 VanDerWaalsContact CG2-O 3.25Å; T422-E424 WeakPolarHBondContact CG2-O 3.43Å; T422-F480 HydrophobicContact CG2-CD1 4.08Å; T422-F480 HydrophobicContact CG2-CE1 3.62Å; T422-F480 HydrophobicContact CG2-CZ 4.08Å
423	K	91.1	Very high	89.9	Confident	110 Å²	110	21.8 Å²	21.8	48%	0.478	12%	0.121	S	C	.	.	S	Bend	trans	-94.3	-7.3	-176.3	-62.1	178	-174.9	174.5	0	114	Y249 I421	Y249-K423 HydrophobicContact CD1-CB 3.76Å; Y249-K423 HydrophobicContact CD1-CG 4.05Å; Y249-K423 WeakPolarHBondContact CD1-O 3.49Å; Y249-K423 HydrophobicContact CD2-CG 4.37Å; Y249-K423 HydrophobicContact CE1-CB 3.9Å; Y249-K423 HydrophobicContact CE1-CG 4.13Å; Y249-K423 HydrophobicContact CE2-CG 4.47Å; Y249-K423 HydrophobicContact CG-CB 4.31Å; Y249-K423 HydrophobicContact CG-CG 4.17Å; I421-K423 PolarHBondContact O-N 2.98Å
424	E	92.9	Very high	90.2	Very high	73 Å²	73	24.9 Å²	24.9	34%	0.341	14%	0.138	S	C	.	.	S	Bend	trans	-133.7	147	172.8	-58.9	-164.7	131.1	0	0	109.8	T422 R527	T422-E424 VanDerWaalsContact CG2-O 3.25Å; T422-E424 WeakPolarHBondContact CG2-O 3.43Å; E424-R527 IonicContact OE1-CZ 3.39Å; E424-R527 IonicContact OE1-NE 3.21Å; E424-R527 PolarHBondContact OE1-NE 3.34Å; E424-R527 IonicContact OE1-NH1 2.75Å; E424-R527 IonicContact OE1-NH2 2.7Å; E424-R527 PolarHBondContact OE1-NH2 3.06Å; E424-R527 IonicContact OE2-CZ 3.49Å; E424-R527 IonicContact OE2-NE 3.36Å; E424-R527 PolarHBondContact OE2-NE 3.25Å; E424-R527 IonicContact OE2-NH2 3.53Å; E424-R527 PolarHBondContact OE2-NH2 3.01Å
425	R	94.5	Very high	90.8	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	110.1	169.1	-176.5	62.2	174.5	-140.7	11.2	109.7	E252 T253 Q254 P255 E427 P454 W476 R527 Y528	E252-R425 HydrophobicContact CG-CB 4.34Å; T253-R425 HydrophobicContact CG2-CB 4.43Å; T253-R425 PolarHBondContact O-NH1 3.03Å; Q254-R425 PolarHBondContact O-NH1 2.7Å; P255-R425 PolarHBondContact O-NH1 3.28Å; P255-R425 PolarHBondContact O-NH2 3.02Å; R425-E427 HydrophobicContact CG-CG 4.47Å; R425-E427 IonicContact CZ-OE1 3.61Å; R425-E427 IonicContact NE-OE1 2.7Å; R425-E427 PolarHBondContact NE-OE1 3.27Å; R425-E427 IonicContact NH2-OE1 3.64Å; R425-E427 PolarHBondContact NH2-OE1 2.84Å; R425-P454 VanDerWaalsContact NH2-CD 3.34Å; R425-W476 VanDerWaalsContact CZ-CD1 3.42Å; R425-R527 CarbonylContact O-C 3.58Å; R425-R527 WeakPolarHBondContact O-CA 3.44Å; R425-Y528 PolarHBondContact O-N 3.44Å
426	T	95	Very high	91.1	Very high	18 Å²	18	30.1 Å²	30.1	11%	0.11	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	152.7	166.1	51.2	0	0	0	0	110.3	A479 F480 F526 I549	T426-A479 WeakPolarHBondContact O-CB 3.43Å; T426-A479 PolarHBondContact OG1-O 2.94Å; T426-F480 WeakPolarHBondContact OG1-CD1 3.41Å; T426-F480 VanDerWaalsContact OG1-CE1 3.31Å; T426-F480 WeakPolarHBondContact OG1-CE1 3.41Å; T426-F526 CarbonylContact C-O 3.45Å; T426-F526 WeakPolarHBondContact CA-O 3.27Å; T426-I549 HydrophobicContact CG2-CD1 3.85Å
427	E	96	Very high	91.8	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	140.2	179.6	-71.5	-65.5	-178.9	0	0	110.9	R425 K453 P454 H525 F526 Y528	R425-E427 HydrophobicContact CG-CG 4.47Å; R425-E427 IonicContact CZ-OE1 3.61Å; R425-E427 IonicContact NE-OE1 2.7Å; R425-E427 PolarHBondContact NE-OE1 3.27Å; R425-E427 IonicContact NH2-OE1 3.64Å; R425-E427 PolarHBondContact NH2-OE1 2.84Å; E427-K453 WeakPolarHBondContact OE2-CE 3.41Å; E427-K453 IonicContact OE2-NZ 2.69Å; E427-K453 PolarHBondContact OE2-NZ 3.15Å; E427-P454 HydrophobicContact CG-CB 4.21Å; E427-P454 WeakPolarHBondContact OE1-CB 3.49Å; E427-P454 VanDerWaalsContact OE1-CD 3.28Å; E427-P454 WeakPolarHBondContact OE1-CD 3.26Å; E427-P454 WeakPolarHBondContact OE1-CG 3.43Å; E427-H525 WeakPolarHBondContact O-CA 3.31Å; E427-H525 PolarHBondContact O-CD2 3.17Å; E427-F526 PolarHBondContact N-O 2.85Å; E427-F526 PolarHBondContact O-N 3.04Å; E427-Y528 HydrophobicContact CB-CD2 3.63Å; E427-Y528 HydrophobicContact CB-CE2 3.63Å; E427-Y528 HydrophobicContact CG-CD2 3.5Å; E427-Y528 VanDerWaalsContact CG-CD2 3.5Å; E427-Y528 HydrophobicContact CG-CE2 3.84Å; E427-Y528 HydrophobicContact CG-CG 4.02Å
428	V	96.1	Very high	92.5	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	132.3	164	-177	0	0	0	0	108.5	K453 M475 A479 E524 Y552	V428-K453 VanDerWaalsContact O-CE 3.31Å; V428-K453 WeakPolarHBondContact O-CE 3.48Å; V428-K453 PolarHBondContact O-NZ 2.76Å; V428-M475 HydrophobicContact CB-CE 3.74Å; V428-M475 HydrophobicContact CG1-CE 4.13Å; V428-A479 HydrophobicContact CG2-CB 4.3Å; V428-E524 WeakPolarHBondContact CA-O 3.36Å; V428-Y552 HydrophobicContact CB-CD1 4.27Å; V428-Y552 HydrophobicContact CB-CG 4.42Å; V428-Y552 HydrophobicContact CG1-CD1 3.57Å; V428-Y552 HydrophobicContact CG1-CE1 4.22Å; V428-Y552 HydrophobicContact CG1-CG 3.97Å; V428-Y552 HydrophobicContact CG2-CD1 3.61Å; V428-Y552 HydrophobicContact CG2-CD2 3.65Å; V428-Y552 HydrophobicContact CG2-CE1 3.81Å; V428-Y552 HydrophobicContact CG2-CE2 3.82Å; V428-Y552 HydrophobicContact CG2-CG 3.56Å
429	I	97	Very high	93.1	Very high	3 Å²	3	40 Å²	40	2%	0.015	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	124.1	174.3	-56	-61.7	0	0	0	107.6	E447 E524 F526 Y528	I429-E447 HydrophobicContact CG2-CB 4.26Å; I429-E447 HydrophobicContact CG2-CG 3.76Å; I429-E524 PolarHBondContact N-O 3.44Å; I429-E524 PolarHBondContact O-N 3.27Å; I429-F526 HydrophobicContact CB-CD2 4.12Å; I429-F526 HydrophobicContact CB-CE2 4.13Å; I429-F526 HydrophobicContact CG1-CD2 3.64Å; I429-F526 HydrophobicContact CG1-CE2 4.04Å; I429-F526 HydrophobicContact CG1-CG 4.48Å; I429-Y528 HydrophobicContact CD1-CE2 4.46Å
430	F	97.6	Very high	93.8	Very high	1 Å²	1	43 Å²	43	0%	0.004	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	133.9	173.3	-74.3	-96.3	0	0	0	109.6	Y448 F450 M475 V489 L492 A493 L496 V521 F553	F430-Y448 HydrophobicContact CB-CD2 4.02Å; F430-Y448 PolarHBondContact O-N 3.18Å; F430-F450 HydrophobicContact CD2-CE2 4Å; F430-F450 AromaticContact CD2-CZ 3.79Å; F430-F450 HydrophobicContact CD2-CZ 3.79Å; F430-F450 AromaticContact CE2-CZ 3.91Å; F430-F450 HydrophobicContact CE2-CZ 3.91Å; F430-M475 HydrophobicContact CD2-CE 4.32Å; F430-M475 HydrophobicContact CE2-CE 3.65Å; F430-M475 HydrophobicContact CE2-SD 3.79Å; F430-V489 HydrophobicContact CE1-CG1 4.33Å; F430-V489 HydrophobicContact CZ-CG1 3.83Å; F430-L492 HydrophobicContact CE1-CD2 4.48Å; F430-L492 HydrophobicContact CE1-CG 4.41Å; F430-L492 HydrophobicContact CE2-CD2 3.72Å; F430-L492 HydrophobicContact CE2-CG 4.46Å; F430-L492 HydrophobicContact CZ-CB 4.32Å; F430-L492 HydrophobicContact CZ-CD2 3.65Å; F430-L492 HydrophobicContact CZ-CG 4Å; F430-A493 HydrophobicContact CE1-CB 4.27Å; F430-L496 HydrophobicContact CB-CD1 4.01Å; F430-L496 HydrophobicContact CD1-CD1 3.24Å; F430-L496 HydrophobicContact CD2-CD1 4.47Å; F430-L496 HydrophobicContact CE1-CD1 3.66Å; F430-L496 HydrophobicContact CG-CD1 3.69Å; F430-L496 HydrophobicContact CZ-CD1 4.41Å; F430-V521 HydrophobicContact CD1-CG1 4.06Å; F430-F553 HydrophobicContact CD1-CE1 4.09Å; F430-F553 AromaticContact CD1-CZ 3.74Å; F430-F553 HydrophobicContact CD1-CZ 3.74Å; F430-F553 AromaticContact CE1-CE1 3.63Å; F430-F553 HydrophobicContact CE1-CE1 3.63Å; F430-F553 AromaticContact CE1-CZ 3.56Å; F430-F553 HydrophobicContact CE1-CZ 3.56Å; F430-F553 HydrophobicContact CZ-CE1 4.25Å
431	Q	97.9	Very high	94.1	Very high	14 Å²	14	45 Å²	45	7%	0.065	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	139.7	173.8	-73.7	177.1	-13.1	0	0	110.1	W445 E446 E447 V521 R522	Q431-W445 HydrophobicContact CB-CB 4.21Å; Q431-W445 HydrophobicContact CB-CE3 3.88Å; Q431-E446 CarbonylContact C-O 3.59Å; Q431-E446 VanDerWaalsContact CA-O 3.25Å; Q431-E446 WeakPolarHBondContact CA-O 3.24Å; Q431-E447 HydrophobicContact CG-CG 3.62Å; Q431-E447 PolarHBondContact NE2-OE1 3.31Å; Q431-V521 CarbonylContact O-C 3.58Å; Q431-V521 VanDerWaalsContact O-CA 3.28Å; Q431-V521 WeakPolarHBondContact O-CA 3.08Å; Q431-R522 HydrophobicContact CB-CG 4.06Å; Q431-R522 PolarHBondContact N-O 3.38Å; Q431-R522 PolarHBondContact O-N 3.44Å; Q431-R522 VanDerWaalsContact OE1-CZ 3.3Å
432	G	97.6	Very high	94.3	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	157.9	170.7	0	0	0	0	0	111.9	W445 E446 W520	G432-W445 CarbonylContact O-C 3.48Å; G432-W445 WeakPolarHBondContact O-CA 3.42Å; G432-E446 PolarHBondContact N-O 3.32Å; G432-E446 PolarHBondContact O-N 3.22Å; G432-W520 CarbonylContact C-O 3.41Å; G432-W520 VanDerWaalsContact CA-O 3.3Å; G432-W520 WeakPolarHBondContact CA-O 3.49Å
433	T	97.2	Very high	94.6	Very high	3 Å²	3	50.4 Å²	50.4	2%	0.018	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	152.6	171.2	-171.8	0	0	0	0	112.2	S435 V444 W445 P518 R519 W520	T433-S435 PolarHBondContact OG1-N 2.81Å; T433-S435 VanDerWaalsContact OG1-N 3.12Å; T433-V444 WeakPolarHBondContact CB-O 3.49Å; T433-V444 PolarHBondContact OG1-O 3.48Å; T433-W445 HydrophobicContact CG2-CD2 3.92Å; T433-W445 HydrophobicContact CG2-CE3 3.91Å; T433-W445 HydrophobicContact CG2-CH2 3.64Å; T433-W445 HydrophobicContact CG2-CZ2 3.61Å; T433-W445 HydrophobicContact CG2-CZ3 3.77Å; T433-P518 CarbonylContact O-C 3.51Å; T433-P518 WeakPolarHBondContact O-CA 3.2Å; T433-P518 WeakPolarHBondContact O-CB 3.38Å; T433-R519 PolarHBondContact O-N 2.8Å; T433-W520 HydrophobicContact CG2-CB 3.99Å; T433-W520 PolarHBondContact N-O 3.47Å; T433-W520 PolarHBondContact O-N 3.45Å
434	L	95.8	Very high	94.8	Very high	66 Å²	66	50.1 Å²	50.1	35%	0.346	27%	0.272	S	S	.	.			trans	-90.7	-3.8	169.8	-67.6	167.1	0	0	0	112.7	F512 D516 P517 R519	L434-F512 HydrophobicContact CD1-CD1 4.44Å; L434-F512 HydrophobicContact CD1-CE1 4.17Å; L434-F512 HydrophobicContact CD2-CD1 4.48Å; L434-F512 HydrophobicContact CD2-CE1 4.46Å; L434-F512 HydrophobicContact CG-CD1 4.31Å; L434-F512 HydrophobicContact CG-CE1 3.89Å; L434-D516 HydrophobicContact CD2-CB 3.97Å; L434-P517 VanDerWaalsContact CD2-O 3.31Å; L434-P517 WeakPolarHBondContact CD2-O 3.4Å; L434-R519 WeakPolarHBondContact O-CD 3.22Å
435	S	94.9	Very high	95	Very high	14 Å²	14	48.3 Å²	48.3	10%	0.098	26%	0.262	C	S	.	.			trans	-55.7	139.3	178.2	-175.4	0	0	0	0	111.9	T433 D437 R519 W520	T433-S435 PolarHBondContact OG1-N 2.81Å; T433-S435 VanDerWaalsContact OG1-N 3.12Å; S435-D437 WeakPolarHBondContact CB-O 3.29Å; S435-D437 PolarHBondContact OG-N 3.5Å; S435-D437 PolarHBondContact OG-O 3.32Å; S435-R519 WeakPolarHBondContact O-CD 3.46Å; S435-W520 VanDerWaalsContact O-CD1 3.29Å
436	P	92.9	Very high	95.1	Very high	107 Å²	107	50.9 Å²	50.9	70%	0.695	27%	0.274	S	S	*	.	S	Bend	trans	-60.7	-46.1	169.7	-22	33.9	0	0	0	112.6	W520	P436-W520 PolarHBondContact O-NE1 3.22Å
437	D	93.2	Very high	95.2	Very high	80 Å²	80	51.8 Å²	51.8	43%	0.428	28%	0.277	S	S	.	.			trans	-105.2	123.9	178.2	-172.8	-16	0	0	0	110.1	S435 K439 D440	S435-D437 WeakPolarHBondContact CB-O 3.29Å; S435-D437 PolarHBondContact OG-N 3.5Å; S435-D437 PolarHBondContact OG-O 3.32Å; D437-K439 PolarHBondContact O-N 2.92Å; D437-K439 WeakPolarHBondContact OD1-CA 3.46Å; D437-K439 VanDerWaalsContact OD1-CB 3.27Å; D437-K439 WeakPolarHBondContact OD1-CB 3.46Å; D437-K439 PolarHBondContact OD1-N 3.12Å; D437-D440 HydrophobicContact CB-CB 4.38Å; D437-D440 PolarHBondContact O-N 3.36Å
438	P	92.9	Very high	95.3	Very high	23 Å²	23	51.9 Å²	51.9	15%	0.149	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-6.2	177.8	31.7	-35	0	0	0	113.8	W445 W520 A555	P438-W445 HydrophobicContact CB-CH2 4.13Å; P438-W445 HydrophobicContact CB-CZ2 3.77Å; P438-W520 HydrophobicContact CB-CB 4.2Å; P438-W520 HydrophobicContact CB-CD2 3.89Å; P438-W520 HydrophobicContact CB-CE3 4.3Å; P438-W520 HydrophobicContact CB-CG 3.81Å; P438-W520 VanDerWaalsContact CD-CE2 3.5Å; P438-W520 HydrophobicContact CG-CD2 3.69Å; P438-W520 HydrophobicContact CG-CE3 3.9Å; P438-W520 HydrophobicContact CG-CG 4.14Å; P438-W520 HydrophobicContact CG-CH2 4.31Å; P438-W520 HydrophobicContact CG-CZ2 4.1Å; P438-W520 HydrophobicContact CG-CZ3 4.2Å; P438-A555 HydrophobicContact CB-CB 3.5Å; P438-A555 VanDerWaalsContact CB-CB 3.5Å; P438-A555 HydrophobicContact CG-CB 4.01Å
439	K	92.2	Very high	95.3	Very high	180 Å²	180	53 Å²	53	78%	0.783	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.8	-8.5	178	-57.2	172.8	-176.8	168.7	0	113.6	D437 P441	D437-K439 PolarHBondContact O-N 2.92Å; D437-K439 WeakPolarHBondContact OD1-CA 3.46Å; D437-K439 VanDerWaalsContact OD1-CB 3.27Å; D437-K439 WeakPolarHBondContact OD1-CB 3.46Å; D437-K439 PolarHBondContact OD1-N 3.12Å; K439-P441 WeakPolarHBondContact O-CD 3.27Å
440	D	93.3	Very high	95.3	Very high	70 Å²	70	53.2 Å²	53.2	37%	0.374	28%	0.284	S	S	.	.			trans	-56.8	123.6	175.5	-177.5	-10.8	0	0	0	109.9	D437 E442 A443	D437-D440 HydrophobicContact CB-CB 4.38Å; D437-D440 PolarHBondContact O-N 3.36Å; D440-E442 PolarHBondContact O-N 3.43Å; D440-E442 PolarHBondContact OD1-N 2.94Å; D440-A443 HydrophobicContact CB-CB 4.2Å; D440-A443 WeakPolarHBondContact O-CB 3.21Å; D440-A443 PolarHBondContact O-N 2.98Å; D440-A443 VanDerWaalsContact O-N 3.07Å
441	P	90.4	Very high	95.1	Very high	121 Å²	121	56.9 Å²	56.9	79%	0.786	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-30	176.5	-26.2	35.9	0	0	0	114.2	K439 A443	K439-P441 WeakPolarHBondContact O-CD 3.27Å; P441-A443 VanDerWaalsContact C-N 3.32Å
442	E	93.4	Very high	94.9	Very high	160 Å²	160	56.7 Å²	56.7	75%	0.748	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	0.8	179.9	-58.1	-59	133.2	0	0	112.7	D440 V444	D440-E442 PolarHBondContact O-N 3.43Å; D440-E442 PolarHBondContact OD1-N 2.94Å; E442-V444 PolarHBondContact O-N 2.62Å
443	A	94.1	Very high	94.7	Very high	15 Å²	15	56.8 Å²	56.8	12%	0.124	30%	0.298	C	S	.	.			trans	-62.4	111.2	178.2	0	0	0	0	0	111.5	D440 P441 W445	D440-A443 HydrophobicContact CB-CB 4.2Å; D440-A443 WeakPolarHBondContact O-CB 3.21Å; D440-A443 PolarHBondContact O-N 2.98Å; D440-A443 VanDerWaalsContact O-N 3.07Å; P441-A443 VanDerWaalsContact C-N 3.32Å; A443-W445 PolarHBondContact O-N 3.02Å
444	V	95.6	Very high	94.5	Very high	104 Å²	104	56.9 Å²	56.9	63%	0.63	30%	0.299	S	S	*	.			trans	-70.7	119.3	173.2	-178.6	0	0	0	0	109.6	T433 E442 E446	T433-V444 WeakPolarHBondContact CB-O 3.49Å; T433-V444 PolarHBondContact OG1-O 3.48Å; E442-V444 PolarHBondContact O-N 2.62Å; V444-E446 HydrophobicContact CG1-CG 4.14Å
445	W	97.1	Very high	94.4	Very high	35 Å²	35	53.9 Å²	53.9	13%	0.133	28%	0.284	C	S	.	.			trans	-108.9	110.9	178.3	-75.4	92.9	0	0	0	110.5	Q431 G432 T433 P438 A443 W520 R522 A555	Q431-W445 HydrophobicContact CB-CB 4.21Å; Q431-W445 HydrophobicContact CB-CE3 3.88Å; G432-W445 CarbonylContact O-C 3.48Å; G432-W445 WeakPolarHBondContact O-CA 3.42Å; T433-W445 HydrophobicContact CG2-CD2 3.92Å; T433-W445 HydrophobicContact CG2-CE3 3.91Å; T433-W445 HydrophobicContact CG2-CH2 3.64Å; T433-W445 HydrophobicContact CG2-CZ2 3.61Å; T433-W445 HydrophobicContact CG2-CZ3 3.77Å; P438-W445 HydrophobicContact CB-CH2 4.13Å; P438-W445 HydrophobicContact CB-CZ2 3.77Å; A443-W445 PolarHBondContact O-N 3.02Å; W445-W520 HydrophobicContact CH2-CB 3.75Å; W445-W520 HydrophobicContact CZ3-CB 4.29Å; W445-R522 HydrophobicContact CD2-CG 4.44Å; W445-R522 VanDerWaalsContact CD2-CZ 3.46Å; W445-R522 VanDerWaalsContact CE2-NH1 3.29Å; W445-R522 HydrophobicContact CE3-CG 3.81Å; W445-R522 VanDerWaalsContact CG-CZ 3.43Å; W445-R522 HydrophobicContact CH2-CB 4.17Å; W445-R522 HydrophobicContact CH2-CG 4.03Å; W445-R522 HydrophobicContact CZ3-CB 4Å; W445-R522 HydrophobicContact CZ3-CG 3.59Å; W445-R522 VanDerWaalsContact NE1-NH1 3.17Å; W445-A555 HydrophobicContact CH2-CB 3.84Å; W445-A555 HydrophobicContact CZ2-CB 4.3Å
446	E	97.2	Very high	94.4	Very high	54 Å²	54	55.9 Å²	55.9	25%	0.252	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	135.8	-174.2	-57.7	-169.9	-119	0	0	111.5	Q431 G432 V444 P511 F512 R515	Q431-E446 CarbonylContact C-O 3.59Å; Q431-E446 VanDerWaalsContact CA-O 3.25Å; Q431-E446 WeakPolarHBondContact CA-O 3.24Å; G432-E446 PolarHBondContact N-O 3.32Å; G432-E446 PolarHBondContact O-N 3.22Å; V444-E446 HydrophobicContact CG1-CG 4.14Å; E446-P511 HydrophobicContact CB-CB 3.73Å; E446-P511 HydrophobicContact CB-CG 3.75Å; E446-P511 WeakPolarHBondContact OE2-CB 3.49Å; E446-F512 HydrophobicContact CB-CE2 4.35Å; E446-F512 HydrophobicContact CB-CZ 4.03Å; E446-F512 HydrophobicContact CG-CZ 4.34Å; E446-R515 VanDerWaalsContact CD-NH2 3.27Å; E446-R515 IonicContact OE1-CZ 3.11Å; E446-R515 IonicContact OE1-NH1 2.73Å; E446-R515 PolarHBondContact OE1-NH1 2.9Å; E446-R515 IonicContact OE1-NH2 3.1Å; E446-R515 PolarHBondContact OE1-NH2 3.15Å; E446-R515 VanDerWaalsContact OE1-NH2 3.1Å; E446-R515 IonicContact OE2-CZ 2.78Å; E446-R515 IonicContact OE2-NH1 2.71Å; E446-R515 IonicContact OE2-NH2 2.71Å; E446-R515 PolarHBondContact OE2-NH2 2.88Å
447	E	97.3	Very high	94.6	Very high	38 Å²	38	51.8 Å²	51.8	18%	0.178	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	127.3	-172.8	-73	-179.3	-163.6	0	0	113.8	I429 Q431 R546	I429-E447 HydrophobicContact CG2-CB 4.26Å; I429-E447 HydrophobicContact CG2-CG 3.76Å; Q431-E447 HydrophobicContact CG-CG 3.62Å; Q431-E447 PolarHBondContact NE2-OE1 3.31Å; E447-R546 IonicContact OE1-CZ 3.17Å; E447-R546 IonicContact OE1-NH1 3.63Å; E447-R546 PolarHBondContact OE1-NH1 2.92Å; E447-R546 IonicContact OE1-NH2 3.98Å; E447-R546 PolarHBondContact OE1-NH2 3.4Å; E447-R546 IonicContact OE2-CZ 2.79Å; E447-R546 IonicContact OE2-NH1 2.96Å; E447-R546 PolarHBondContact OE2-NH1 2.98Å; E447-R546 IonicContact OE2-NH2 3.23Å; E447-R546 PolarHBondContact OE2-NH2 2.82Å
448	Y	97.6	Very high	94.7	Very high	2 Å²	2	53.8 Å²	53.8	1%	0.008	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-75.6	135.9	167.3	-67.9	-91.1	0	0	0	111	F430 L496 L507 N510 F512	F430-Y448 HydrophobicContact CB-CD2 4.02Å; F430-Y448 PolarHBondContact O-N 3.18Å; Y448-L496 HydrophobicContact CD1-CD2 3.39Å; Y448-L496 HydrophobicContact CD2-CD2 3.91Å; Y448-L496 HydrophobicContact CE1-CD2 3.2Å; Y448-L496 HydrophobicContact CE1-CG 4.46Å; Y448-L496 HydrophobicContact CE2-CB 4.32Å; Y448-L496 HydrophobicContact CE2-CD2 3.75Å; Y448-L496 HydrophobicContact CE2-CG 4.44Å; Y448-L496 HydrophobicContact CG-CD2 3.72Å; Y448-L496 PolarHBondContact OH-O 3.11Å; Y448-L507 HydrophobicContact CD1-CD1 3.81Å; Y448-L507 HydrophobicContact CG-CD1 4.39Å; Y448-N510 HydrophobicContact CD1-CB 4.37Å; Y448-N510 HydrophobicContact CE1-CB 4.29Å; Y448-N510 WeakPolarHBondContact CE1-OD1 3.4Å; Y448-F512 HydrophobicContact CE1-CD2 4.4Å; Y448-F512 HydrophobicContact CE2-CD2 4.34Å; Y448-F512 HydrophobicContact CE2-CE2 4.25Å; Y448-F512 AromaticContact CZ-CD2 3.79Å; Y448-F512 WeakPolarHBondContact OH-CD2 3.43Å
449	Q	96.6	Very high	94.8	Very high	23 Å²	23	55.3 Å²	55.3	11%	0.107	27%	0.271	C	S	.	.	B	Isolated β-bridge	trans	-111.5	138	179.7	-54.1	-62.5	-36.9	0	0	111.8	D508 H509	Q449-D508 PolarHBondContact O-N 3.19Å; Q449-H509 HydrophobicContact CB-CB 3.92Å; Q449-H509 HydrophobicContact CG-CB 4.09Å; Q449-H509 PolarHBondContact N-O 3.38Å; Q449-H509 PolarHBondContact O-N 2.56Å
450	F	95.9	Very high	94.9	Very high	7 Å²	7	53.4 Å²	53.4	3%	0.031	26%	0.259	C	S	.	.			trans	-93.1	166.1	176.4	-67.6	-96.3	0	0	0	111.2	F430 K453 L471 D472 M475 L492 L507 D508	F430-F450 HydrophobicContact CD2-CE2 4Å; F430-F450 AromaticContact CD2-CZ 3.79Å; F430-F450 HydrophobicContact CD2-CZ 3.79Å; F430-F450 AromaticContact CE2-CZ 3.91Å; F430-F450 HydrophobicContact CE2-CZ 3.91Å; F450-K453 HydrophobicContact CB-CB 3.93Å; F450-K453 HydrophobicContact CB-CD 4.05Å; F450-K453 HydrophobicContact CD1-CD 4.4Å; F450-K453 HydrophobicContact CD2-CD 3.68Å; F450-K453 HydrophobicContact CE2-CD 4.21Å; F450-K453 HydrophobicContact CG-CD 3.79Å; F450-L471 HydrophobicContact CD1-CD2 4.19Å; F450-L471 HydrophobicContact CD1-CG 4.26Å; F450-L471 HydrophobicContact CE1-CD2 3.89Å; F450-L471 HydrophobicContact CE1-CG 3.95Å; F450-D472 WeakPolarHBondContact CB-OD1 3.43Å; F450-M475 HydrophobicContact CD1-CG 4.25Å; F450-M475 HydrophobicContact CE1-CG 3.6Å; F450-M475 HydrophobicContact CE1-SD 4.34Å; F450-M475 HydrophobicContact CZ-CE 4.27Å; F450-M475 HydrophobicContact CZ-CG 3.78Å; F450-M475 HydrophobicContact CZ-SD 4.05Å; F450-L492 HydrophobicContact CE1-CD2 4.44Å; F450-L492 HydrophobicContact CZ-CD2 4.36Å; F450-L507 HydrophobicContact CD1-CD2 3.5Å; F450-L507 HydrophobicContact CE1-CD2 3.48Å; F450-L507 VanDerWaalsContact CE1-CD2 3.48Å; F450-L507 HydrophobicContact CG-CD2 4.08Å; F450-L507 HydrophobicContact CZ-CD2 4.05Å; F450-D508 WeakPolarHBondContact O-CB 3.41Å
451	R	94.6	Very high	95	Very high	79 Å²	79	50.5 Å²	50.5	30%	0.298	24%	0.244	S	C	.	.	S	Bend	trans	-69.9	-36.7	-169.1	-66.7	-69.2	-176.2	-176.9	2.8	113.6	R459 Y469 D472 S505 L506 L507 D508	R451-R459 PolarHBondContact O-NH2 2.7Å; R451-Y469 HydrophobicContact CB-CD1 3.9Å; R451-Y469 HydrophobicContact CB-CD2 4.23Å; R451-Y469 HydrophobicContact CB-CE1 3.82Å; R451-Y469 HydrophobicContact CB-CE2 4.15Å; R451-Y469 HydrophobicContact CB-CG 4.11Å; R451-Y469 HydrophobicContact CG-CD1 3.96Å; R451-Y469 HydrophobicContact CG-CE1 3.73Å; R451-D472 PolarHBondContact N-OD1 3.49Å; R451-D472 VanDerWaalsContact N-OD1 3.07Å; R451-S505 PolarHBondContact NH2-O 2.81Å; R451-S505 VanDerWaalsContact NH2-O 3.07Å; R451-L506 WeakPolarHBondContact CG-O 3.43Å; R451-L506 PolarHBondContact NE-O 2.87Å; R451-L507 PolarHBondContact NE-O 3.21Å; R451-L507 VanDerWaalsContact NE-O 3.07Å; R451-L507 PolarHBondContact NH2-O 2.93Å; R451-D508 WeakPolarHBondContact CD-OD1 3.44Å; R451-D508 IonicContact CZ-OD1 3.12Å; R451-D508 IonicContact NE-OD1 3.68Å; R451-D508 IonicContact NH1-OD1 2.71Å; R451-D508 PolarHBondContact NH1-OD1 2.73Å
452	C	94.1	Very high	95.1	Very high	9 Å²	9	46 Å²	46	6%	0.061	22%	0.215	C	C	.	.	S	Bend	trans	-145.6	-22.3	-173.6	-63.1	0	0	0	0	114.7	V256 C462 I464 Y469 D472	V256-C452 HydrophobicContact CG1-CB 3.69Å; C452-C462 HydrophobicContact CB-CB 3.92Å; C452-C462 WeakPolarHBondContact SG-CB 3.43Å; C452-I464 HydrophobicContact CB-CD1 4.35Å; C452-I464 WeakPolarHBondContact SG-CG2 3.25Å; C452-Y469 HydrophobicContact CB-CD2 4.38Å; C452-Y469 VanDerWaalsContact SG-CD2 3.6Å; C452-Y469 VanDerWaalsContact SG-CE2 3.54Å; C452-D472 PolarHBondContact N-OD1 2.74Å
453	K	92.6	Very high	95.1	Very high	3 Å²	3	44.3 Å²	44.3	1%	0.013	21%	0.211	C	C	.	.	S	Bend	trans	-57.3	139.8	169.6	174.8	-152.2	176.3	-63.1	0	109.9	E427 V428 F450 D472 M475	E427-K453 WeakPolarHBondContact OE2-CE 3.41Å; E427-K453 IonicContact OE2-NZ 2.69Å; E427-K453 PolarHBondContact OE2-NZ 3.15Å; V428-K453 VanDerWaalsContact O-CE 3.31Å; V428-K453 WeakPolarHBondContact O-CE 3.48Å; V428-K453 PolarHBondContact O-NZ 2.76Å; F450-K453 HydrophobicContact CB-CB 3.93Å; F450-K453 HydrophobicContact CB-CD 4.05Å; F450-K453 HydrophobicContact CD1-CD 4.4Å; F450-K453 HydrophobicContact CD2-CD 3.68Å; F450-K453 HydrophobicContact CE2-CD 4.21Å; F450-K453 HydrophobicContact CG-CD 3.79Å; K453-D472 HydrophobicContact CB-CB 3.96Å; K453-D472 WeakPolarHBondContact CB-OD1 3.4Å; K453-D472 PolarHBondContact N-OD1 2.75Å; K453-M475 HydrophobicContact CD-CB 3.74Å; K453-M475 HydrophobicContact CD-CG 4.35Å
454	P	93.2	Very high	95	Very high	5 Å²	5	45 Å²	45	3%	0.032	21%	0.212	C	C	.	.	S	Bend	trans	-51.5	138.5	170.1	-26.2	34.2	0	0	0	113.4	R425 E427 Y528 W544	R425-P454 VanDerWaalsContact NH2-CD 3.34Å; E427-P454 HydrophobicContact CG-CB 4.21Å; E427-P454 WeakPolarHBondContact OE1-CB 3.49Å; E427-P454 VanDerWaalsContact OE1-CD 3.28Å; E427-P454 WeakPolarHBondContact OE1-CD 3.26Å; E427-P454 WeakPolarHBondContact OE1-CG 3.43Å; P454-Y528 HydrophobicContact CB-CD1 4.16Å; P454-Y528 HydrophobicContact CB-CE1 4.33Å; P454-W544 HydrophobicContact CB-CH2 4.37Å; P454-W544 HydrophobicContact CB-CZ2 4.01Å; P454-W544 HydrophobicContact CG-CH2 3.78Å; P454-W544 HydrophobicContact CG-CZ2 3.55Å
455	G	93.2	Very high	94.8	Very high	3 Å²	3	40.9 Å²	40.9	3%	0.031	19%	0.188	C	C	.	.			trans	-159.2	-105.5	-172.6	0	0	0	0	0	109.3	Y528	G455-Y528 VanDerWaalsContact O-CE1 3.27Å; G455-Y528 WeakPolarHBondContact O-CE1 3.5Å; G455-Y528 VanDerWaalsContact O-CZ 3.3Å; G455-Y528 PolarHBondContact O-OH 3.49Å
456	D	94.9	Very high	94.7	Very high	56 Å²	56	40.4 Å²	40.4	30%	0.299	19%	0.19	S	C	.	.	S	Bend	trans	-49.6	140.8	166	169	44.5	0	0	0	112.4	Y458 R459	D456-Y458 WeakPolarHBondContact OD1-CD2 3.15Å; D456-Y458 PolarHBondContact OD1-N 3.49Å; D456-Y458 WeakPolarHBondContact OD2-CB 3.38Å; D456-Y458 PolarHBondContact OD2-N 2.87Å; D456-R459 HydrophobicContact CB-CB 4.23Å; D456-R459 WeakPolarHBondContact O-CB 3.22Å; D456-R459 PolarHBondContact OD2-N 2.93Å
457	V	96.8	Very high	94.7	Very high	21 Å²	21	39.9 Å²	39.9	13%	0.127	19%	0.186	C	C	.	.	S	Bend	trans	-79.5	-21.2	-177.6	-65.3	0	0	0	0	113.8	K542 W543 W544 R546	V457-K542 HydrophobicContact CG2-CG 4.37Å; V457-K542 CarbonylContact O-C 3.59Å; V457-K542 WeakPolarHBondContact O-CA 3.45Å; V457-W543 PolarHBondContact O-N 2.8Å; V457-W544 HydrophobicContact CB-CB 4.3Å; V457-W544 HydrophobicContact CG1-CB 4.26Å; V457-W544 PolarHBondContact O-N 3.31Å; V457-W544 VanDerWaalsContact O-N 3.15Å; V457-R546 HydrophobicContact CG1-CB 4.2Å; V457-R546 HydrophobicContact CG1-CG 3.78Å
458	Y	96	Very high	94.6	Very high	122 Å²	122	38.2 Å²	38.2	48%	0.478	18%	0.178	S	C	.	.	S	Bend	trans	-85.9	-15.8	173.6	-55.3	-82	0	0	0	112.2	D456 R460 Q540 K542 W543	D456-Y458 WeakPolarHBondContact OD1-CD2 3.15Å; D456-Y458 PolarHBondContact OD1-N 3.49Å; D456-Y458 WeakPolarHBondContact OD2-CB 3.38Å; D456-Y458 PolarHBondContact OD2-N 2.87Å; Y458-R460 PolarHBondContact O-N 2.86Å; Y458-R460 VanDerWaalsContact O-N 3.11Å; Y458-Q540 WeakPolarHBondContact CE1-O 3.47Å; Y458-K542 HydrophobicContact CD1-CG 3.68Å; Y458-K542 HydrophobicContact CE1-CD 4.18Å; Y458-K542 HydrophobicContact CE1-CG 3.33Å; Y458-K542 WeakPolarHBondContact OH-CE 3.27Å; Y458-W543 VanDerWaalsContact O-CD1 3.32Å
459	R	94.2	Very high	94.5	Very high	54 Å²	54	41.2 Å²	41.2	20%	0.204	19%	0.189	C	C	.	.			trans	-61.2	110.7	175.1	-164.6	-173.8	-166.9	91.2	6.6	111.9	R451 D456 D508	R451-R459 PolarHBondContact O-NH2 2.7Å; D456-R459 HydrophobicContact CB-CB 4.23Å; D456-R459 WeakPolarHBondContact O-CB 3.22Å; D456-R459 PolarHBondContact OD2-N 2.93Å; R459-D508 IonicContact CZ-OD2 3.1Å; R459-D508 IonicContact NH1-OD2 2.71Å; R459-D508 PolarHBondContact NH1-OD2 3.23Å; R459-D508 IonicContact NH2-OD1 2.7Å; R459-D508 IonicContact NH2-OD2 3.15Å; R459-D508 PolarHBondContact NH2-OD2 2.72Å
460	R	94.6	Very high	94.4	Very high	141 Å²	141	40.1 Å²	40.1	53%	0.532	18%	0.184	S	C	.	.	P	Polyproline II helix	trans	-58.4	133	166.9	-178.3	175.3	-179.8	-172	-0.6	110.1	P259 Y458 W543	P259-R460 HydrophobicContact CG-CG 4.43Å; Y458-R460 PolarHBondContact O-N 2.86Å; Y458-R460 VanDerWaalsContact O-N 3.11Å; R460-W543 HydrophobicContact CB-CD2 4.07Å; R460-W543 HydrophobicContact CB-CG 4.33Å; R460-W543 HydrophobicContact CB-CZ2 4.11Å; R460-W543 HydrophobicContact CG-CD2 4.01Å; R460-W543 HydrophobicContact CG-CE3 4.24Å; R460-W543 HydrophobicContact CG-CH2 3.89Å; R460-W543 HydrophobicContact CG-CZ2 3.61Å; R460-W543 HydrophobicContact CG-CZ3 4.18Å
461	P	94.9	Very high	94.4	Very high	9 Å²	9	39.9 Å²	39.9	6%	0.058	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-55	140	174.1	-25.1	34	0	0	0	112	P257 P259 F530 W543 W544	P257-P461 WeakPolarHBondContact O-CB 3.12Å; P259-P461 VanDerWaalsContact CD-O 3.29Å; P259-P461 WeakPolarHBondContact CD-O 3.5Å; P259-P461 VanDerWaalsContact CG-O 3.24Å; P259-P461 WeakPolarHBondContact CG-O 3.23Å; P461-F530 HydrophobicContact CG-CE1 4.14Å; P461-W543 HydrophobicContact CG-CE3 4.46Å; P461-W544 HydrophobicContact CG-CZ2 4.11Å
462	C	93.6	Very high	94.4	Very high	26 Å²	26	36.2 Å²	36.2	18%	0.176	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-83.5	159.2	-170.6	-58.9	0	0	0	0	112.9	N258 N316 C452 I464	N258-C462 WeakPolarHBondContact CA-O 3.38Å; N258-C462 WeakPolarHBondContact CB-O 3.41Å; N316-C462 PolarHBondContact ND2-O 3.07Å; C452-C462 HydrophobicContact CB-CB 3.92Å; C452-C462 WeakPolarHBondContact SG-CB 3.43Å; C462-I464 HydrophobicContact CB-CG2 4.11Å
463	L	92.9	Very high	94.4	Very high	125 Å²	125	36.2 Å²	36.2	65%	0.654	17%	0.168	S	C	*	.			trans	-114	112.9	168.8	-179.6	68.2	0	0	0	107.9	N258	N258-L463 HydrophobicContact CB-CD1 4.48Å
464	I	92.8	Very high	94.4	Very high	28 Å²	28	36.3 Å²	36.3	14%	0.144	17%	0.169	C	C	.	.			trans	-132	-21	-170.8	60.2	169.5	0	0	0	115.6	V256 N316 C452 C462 Y467 Y469	V256-I464 HydrophobicContact CG1-CD1 4.16Å; N316-I464 HydrophobicContact CB-CD1 4.27Å; N316-I464 HydrophobicContact CB-CG1 3.71Å; N316-I464 WeakPolarHBondContact OD1-CG1 3.16Å; N316-I464 PolarHBondContact OD1-N 3.27Å; C452-I464 HydrophobicContact CB-CD1 4.35Å; C452-I464 WeakPolarHBondContact SG-CG2 3.25Å; C462-I464 HydrophobicContact CB-CG2 4.11Å; I464-Y467 WeakPolarHBondContact O-CA 3.33Å; I464-Y467 VanDerWaalsContact O-CB 3.29Å; I464-Y467 WeakPolarHBondContact O-CB 3.3Å; I464-Y467 PolarHBondContact O-N 3.24Å; I464-Y469 HydrophobicContact CD1-CD2 3.95Å; I464-Y469 HydrophobicContact CG2-CD2 4.45Å; I464-Y469 HydrophobicContact CG2-CE2 4.04Å
465	S	91.6	Very high	94.5	Very high	19 Å²	19	36 Å²	36	13%	0.133	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	130	-177.9	-171.3	0	0	0	0	110.6	N316 S318 W322	N316-S465 PolarHBondContact OD1-N 3.23Å; S318-S465 PolarHBondContact O-OG 2.94Å; W322-S465 PolarHBondContact NE1-OG 3.18Å
466	P	95.3	Very high	94.5	Very high	25 Å²	25	37 Å²	37	16%	0.162	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	cis	-90	1.1	16.6	36.5	-39.2	0	0	0	116.8	F71 V75 S318 F319 W322	F71-P466 HydrophobicContact CE1-CG 4.23Å; F71-P466 HydrophobicContact CZ-CG 3.97Å; V75-P466 HydrophobicContact CG1-CB 4.07Å; V75-P466 HydrophobicContact CG1-CG 4.01Å; V75-P466 HydrophobicContact CG2-CB 4.44Å; V75-P466 HydrophobicContact CG2-CG 3.81Å; S318-P466 CarbonylContact C-O 3.52Å; S318-P466 WeakPolarHBondContact O-CA 3.44Å; F319-P466 HydrophobicContact CB-CB 4.07Å; F319-P466 PolarHBondContact N-O 3.22Å; W322-P466 HydrophobicContact CD2-CB 4.4Å; W322-P466 HydrophobicContact CG-CB 4.13Å
467	Y	95.7	Very high	94.3	Very high	43 Å²	43	38.3 Å²	38.3	17%	0.169	17%	0.173	C	C	.	.			trans	-69.4	157.9	-178.5	-164.7	-96.2	0	0	0	112.7	T78 V79 N82 Q83 I464 Y469	T78-Y467 HydrophobicContact CG2-CE2 4.46Å; V79-Y467 HydrophobicContact CB-CE2 4.31Å; V79-Y467 HydrophobicContact CG2-CD2 3.51Å; V79-Y467 HydrophobicContact CG2-CE1 4.48Å; V79-Y467 HydrophobicContact CG2-CE2 3.47Å; V79-Y467 VanDerWaalsContact CG2-CE2 3.47Å; V79-Y467 HydrophobicContact CG2-CG 4.07Å; N82-Y467 VanDerWaalsContact CB-OH 3.25Å; N82-Y467 WeakPolarHBondContact CB-OH 3.45Å; N82-Y467 PolarHBondContact ND2-OH 3.23Å; Q83-Y467 PolarHBondContact NE2-OH 3.48Å; I464-Y467 WeakPolarHBondContact O-CA 3.33Å; I464-Y467 VanDerWaalsContact O-CB 3.29Å; I464-Y467 WeakPolarHBondContact O-CB 3.3Å; I464-Y467 PolarHBondContact O-N 3.24Å; Y467-Y469 HydrophobicContact CD1-CD2 4.06Å; Y467-Y469 HydrophobicContact CD1-CE1 4.41Å; Y467-Y469 AromaticContact CD1-CE2 3.84Å; Y467-Y469 HydrophobicContact CD1-CE2 3.84Å; Y467-Y469 HydrophobicContact CD1-CG 4.43Å; Y467-Y469 AromaticContact CE1-CD1 3.94Å; Y467-Y469 HydrophobicContact CE1-CD1 3.94Å; Y467-Y469 HydrophobicContact CE1-CD2 4.21Å; Y467-Y469 AromaticContact CE1-CE1 3.74Å; Y467-Y469 HydrophobicContact CE1-CE1 3.74Å; Y467-Y469 HydrophobicContact CE1-CE2 4.02Å; Y467-Y469 HydrophobicContact CE1-CG 4.17Å; Y467-Y469 AromaticContact CE1-CZ 3.79Å
468	H	94.7	Very high	94.1	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.009	17%	0.167	C	C	.	.			trans	-138.1	110.9	-173.9	-177.4	-146.7	0	0	0	111.8	V79 Q83 F180 W182 S318 R470 W473	V79-H468 HydrophobicContact CG1-CB 4.31Å; V79-H468 HydrophobicContact CG2-CB 4.13Å; Q83-H468 PolarHBondContact NE2-O 3.03Å; F180-H468 AromaticContact CD2-CE1 3.89Å; F180-H468 AromaticContact CE2-CE1 3.56Å; F180-H468 AromaticContact CZ-CE1 3.95Å; W182-H468 AromaticContact CZ2-CE1 3.54Å; W182-H468 AromaticContact CZ2-NE2 3.72Å; S318-H468 WeakPolarHBondContact OG-CB 3.33Å; H468-R470 PolarHBondContact O-N 3.39Å; H468-W473 AromaticContact CD2-CE3 3.84Å; H468-W473 AromaticContact NE2-CD2 3.86Å; H468-W473 AromaticContact NE2-CE3 3.85Å; H468-W473 AromaticContact NE2-CG 3.78Å
469	Y	95.6	Very high	93.8	Very high	65 Å²	65	31.6 Å²	31.6	26%	0.255	15%	0.145	S	C	.	.			trans	-83.6	101.9	167.2	-69.3	-77	0	0	0	109.2	R451 C452 I464 Y467 L471 W473	R451-Y469 HydrophobicContact CB-CD1 3.9Å; R451-Y469 HydrophobicContact CB-CD2 4.23Å; R451-Y469 HydrophobicContact CB-CE1 3.82Å; R451-Y469 HydrophobicContact CB-CE2 4.15Å; R451-Y469 HydrophobicContact CB-CG 4.11Å; R451-Y469 HydrophobicContact CG-CD1 3.96Å; R451-Y469 HydrophobicContact CG-CE1 3.73Å; C452-Y469 HydrophobicContact CB-CD2 4.38Å; C452-Y469 VanDerWaalsContact SG-CD2 3.6Å; C452-Y469 VanDerWaalsContact SG-CE2 3.54Å; I464-Y469 HydrophobicContact CD1-CD2 3.95Å; I464-Y469 HydrophobicContact CG2-CD2 4.45Å; I464-Y469 HydrophobicContact CG2-CE2 4.04Å; Y467-Y469 HydrophobicContact CD1-CD2 4.06Å; Y467-Y469 HydrophobicContact CD1-CE1 4.41Å; Y467-Y469 AromaticContact CD1-CE2 3.84Å; Y467-Y469 HydrophobicContact CD1-CE2 3.84Å; Y467-Y469 HydrophobicContact CD1-CG 4.43Å; Y467-Y469 AromaticContact CE1-CD1 3.94Å; Y467-Y469 HydrophobicContact CE1-CD1 3.94Å; Y467-Y469 HydrophobicContact CE1-CD2 4.21Å; Y467-Y469 AromaticContact CE1-CE1 3.74Å; Y467-Y469 HydrophobicContact CE1-CE1 3.74Å; Y467-Y469 HydrophobicContact CE1-CE2 4.02Å; Y467-Y469 HydrophobicContact CE1-CG 4.17Å; Y467-Y469 AromaticContact CE1-CZ 3.79Å; Y469-L471 VanDerWaalsContact C-N 3.3Å; Y469-L471 PolarHBondContact O-N 3.37Å; Y469-W473 PolarHBondContact O-N 3Å
470	R	95.3	Very high	93.4	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-67.2	-32.7	-173.3	-62.3	-177.9	175.4	-70.4	-1.5	111.8	L87 W177 E183 H468 L474	L87-R470 HydrophobicContact CD1-CB 3.71Å; L87-R470 HydrophobicContact CD1-CG 4.26Å; W177-R470 HydrophobicContact CE3-CB 4.14Å; W177-R470 WeakPolarHBondContact O-CD 3.39Å; W177-R470 PolarHBondContact O-NH1 3.19Å; E183-R470 IonicContact OE1-CZ 3.2Å; E183-R470 IonicContact OE1-NH1 2.67Å; E183-R470 PolarHBondContact OE1-NH1 3.28Å; E183-R470 IonicContact OE1-NH2 2.73Å; E183-R470 PolarHBondContact OE1-NH2 3.13Å; E183-R470 IonicContact OE2-NH2 3.76Å; E183-R470 PolarHBondContact OE2-NH2 2.92Å; H468-R470 PolarHBondContact O-N 3.39Å; R470-L474 PolarHBondContact O-N 2.94Å
471	L	95.4	Very high	93.1	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.01	14%	0.143	C	C	.	.	H	α-helix	trans	-67.2	-55.3	177.9	-174.4	62.9	0	0	0	112	L93 W177 F450 Y469 W473 L474 M475 W488 L492 L506 L507	L93-L471 HydrophobicContact CD1-CD1 3.98Å; W177-L471 HydrophobicContact CH2-CD1 3.74Å; W177-L471 HydrophobicContact CZ3-CD1 4.06Å; F450-L471 HydrophobicContact CD1-CD2 4.19Å; F450-L471 HydrophobicContact CD1-CG 4.26Å; F450-L471 HydrophobicContact CE1-CD2 3.89Å; F450-L471 HydrophobicContact CE1-CG 3.95Å; Y469-L471 VanDerWaalsContact C-N 3.3Å; Y469-L471 PolarHBondContact O-N 3.37Å; L471-W473 PolarHBondContact O-N 3.13Å; L471-L474 PolarHBondContact O-N 3.44Å; L471-M475 WeakPolarHBondContact O-CG 3.23Å; L471-M475 PolarHBondContact O-N 2.97Å; L471-W488 HydrophobicContact CD1-CE3 4.47Å; L471-W488 HydrophobicContact CD1-CH2 4.5Å; L471-W488 HydrophobicContact CD1-CZ3 3.73Å; L471-L492 HydrophobicContact CD1-CD2 4.23Å; L471-L506 HydrophobicContact CB-CD1 4.39Å; L471-L506 HydrophobicContact CD2-CB 3.75Å; L471-L506 HydrophobicContact CD2-CD1 3.89Å; L471-L506 HydrophobicContact CD2-CG 4.5Å; L471-L507 HydrophobicContact CD2-CD2 3.96Å
472	D	94.9	Very high	92.6	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.011	16%	0.157	C	C	.	.	H	α-helix	trans	-51.1	-40.7	174.1	-68.7	-119.1	0	0	0	112.6	F450 R451 C452 K453 W476	F450-D472 WeakPolarHBondContact CB-OD1 3.43Å; R451-D472 PolarHBondContact N-OD1 3.49Å; R451-D472 VanDerWaalsContact N-OD1 3.07Å; C452-D472 PolarHBondContact N-OD1 2.74Å; K453-D472 HydrophobicContact CB-CB 3.96Å; K453-D472 WeakPolarHBondContact CB-OD1 3.4Å; K453-D472 PolarHBondContact N-OD1 2.75Å; D472-W476 PolarHBondContact O-N 3.33Å
473	W	93.6	Very high	92.2	Very high	9 Å²	9	34.3 Å²	34.3	3%	0.034	16%	0.163	C	C	.	.	H	α-helix	trans	-72.4	-41.5	-180	-159.7	-62.2	0	0	0	112.9	F180 W182 P255 V256 N316 L317 H468 Y469 L471 M475 W476 F477	F180-W473 AromaticContact CE1-CD1 3.51Å; F180-W473 HydrophobicContact CE1-CG 4.13Å; F180-W473 AromaticContact CE1-NE1 3.93Å; F180-W473 HydrophobicContact CZ-CG 4.48Å; W182-W473 HydrophobicContact CH2-CD2 4.15Å; W182-W473 AromaticContact CH2-CE2 3.61Å; W182-W473 AromaticContact CH2-CH2 3.91Å; W182-W473 HydrophobicContact CH2-CH2 3.91Å; W182-W473 AromaticContact CH2-CZ2 3.46Å; W182-W473 HydrophobicContact CH2-CZ2 3.46Å; W182-W473 VanDerWaalsContact CH2-CZ2 3.46Å; W182-W473 HydrophobicContact CH2-CZ3 4.41Å; W182-W473 HydrophobicContact CZ3-CH2 4.2Å; W182-W473 AromaticContact CZ3-CZ2 3.84Å; W182-W473 HydrophobicContact CZ3-CZ2 3.84Å; P255-W473 HydrophobicContact CB-CD2 3.8Å; P255-W473 VanDerWaalsContact CB-CE2 3.49Å; P255-W473 HydrophobicContact CB-CE3 4.11Å; P255-W473 HydrophobicContact CB-CG 4.41Å; P255-W473 HydrophobicContact CB-CH2 3.93Å; P255-W473 HydrophobicContact CB-CZ2 3.6Å; P255-W473 HydrophobicContact CB-CZ3 4.17Å; P255-W473 HydrophobicContact CG-CD2 4.48Å; P255-W473 HydrophobicContact CG-CH2 4.02Å; P255-W473 HydrophobicContact CG-CZ2 3.44Å; P255-W473 VanDerWaalsContact CG-CZ2 3.44Å; V256-W473 HydrophobicContact CG2-CE3 4.3Å; N316-W473 VanDerWaalsContact O-CZ3 3.31Å; N316-W473 WeakPolarHBondContact O-CZ3 3.26Å; L317-W473 HydrophobicContact CD2-CH2 4.06Å; H468-W473 AromaticContact CD2-CE3 3.84Å; H468-W473 AromaticContact NE2-CD2 3.86Å; H468-W473 AromaticContact NE2-CE3 3.85Å; H468-W473 AromaticContact NE2-CG 3.78Å; Y469-W473 PolarHBondContact O-N 3Å; L471-W473 PolarHBondContact O-N 3.13Å; W473-M475 VanDerWaalsContact C-N 3.31Å; W473-W476 WeakPolarHBondContact O-CB 3.3Å; W473-W476 PolarHBondContact O-N 3.33Å; W473-F477 AromaticContact CD1-CD2 3.9Å; W473-F477 AromaticContact CD1-CE2 3.59Å; W473-F477 AromaticContact NE1-CE2 3.53Å
474	L	94	Very high	91.7	Very high	5 Å²	5	34.4 Å²	34.4	3%	0.026	16%	0.16	C	C	.	.	H	α-helix	trans	-70.2	-29	174.3	-68.8	-162	0	0	0	112.5	L176 W177 F180 R470 L471 W476 F477 A478 W488	L176-L474 HydrophobicContact CB-CD1 4.3Å; L176-L474 HydrophobicContact CD2-CD1 3.72Å; L176-L474 HydrophobicContact CG-CD1 3.65Å; L176-L474 HydrophobicContact CG-CD2 4.42Å; W177-L474 HydrophobicContact CD2-CD1 4.12Å; W177-L474 HydrophobicContact CE3-CD1 3.43Å; W177-L474 VanDerWaalsContact CE3-CD1 3.43Å; W177-L474 HydrophobicContact CE3-CG 4.03Å; W177-L474 HydrophobicContact CH2-CD1 4.16Å; W177-L474 HydrophobicContact CZ3-CB 4.09Å; W177-L474 HydrophobicContact CZ3-CD1 3.46Å; W177-L474 VanDerWaalsContact CZ3-CD1 3.46Å; W177-L474 HydrophobicContact CZ3-CG 3.93Å; F180-L474 HydrophobicContact CE1-CD2 3.81Å; F180-L474 HydrophobicContact CZ-CD2 3.52Å; F180-L474 HydrophobicContact CZ-CG 4.14Å; R470-L474 PolarHBondContact O-N 2.94Å; L471-L474 PolarHBondContact O-N 3.44Å; L474-W476 PolarHBondContact O-N 2.99Å; L474-F477 HydrophobicContact CD2-CD2 4.06Å; L474-F477 PolarHBondContact O-N 3.43Å; L474-F477 VanDerWaalsContact O-N 3.13Å; L474-A478 PolarHBondContact O-N 3.2Å; L474-W488 HydrophobicContact CB-CH2 3.78Å; L474-W488 HydrophobicContact CB-CZ2 3.56Å
475	M	94.9	Very high	91.2	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-62	-30.7	172	-77.7	-56.9	-51.5	0	0	113.2	V428 F430 F450 K453 L471 W473 A479 W488	V428-M475 HydrophobicContact CB-CE 3.74Å; V428-M475 HydrophobicContact CG1-CE 4.13Å; F430-M475 HydrophobicContact CD2-CE 4.32Å; F430-M475 HydrophobicContact CE2-CE 3.65Å; F430-M475 HydrophobicContact CE2-SD 3.79Å; F450-M475 HydrophobicContact CD1-CG 4.25Å; F450-M475 HydrophobicContact CE1-CG 3.6Å; F450-M475 HydrophobicContact CE1-SD 4.34Å; F450-M475 HydrophobicContact CZ-CE 4.27Å; F450-M475 HydrophobicContact CZ-CG 3.78Å; F450-M475 HydrophobicContact CZ-SD 4.05Å; K453-M475 HydrophobicContact CD-CB 3.74Å; K453-M475 HydrophobicContact CD-CG 4.35Å; L471-M475 WeakPolarHBondContact O-CG 3.23Å; L471-M475 PolarHBondContact O-N 2.97Å; W473-M475 VanDerWaalsContact C-N 3.31Å; M475-A479 PolarHBondContact O-N 2.8Å; M475-W488 HydrophobicContact CG-CH2 3.96Å; M475-W488 HydrophobicContact CG-CZ3 4.44Å; M475-W488 HydrophobicContact SD-CH2 3.5Å; M475-W488 WeakPolarHBondContact SD-CH2 3.39Å; M475-W488 HydrophobicContact SD-CZ3 3.86Å
476	W	93.1	Very high	90.9	Very high	23 Å²	23	38.5 Å²	38.5	9%	0.087	18%	0.177	C	C	.	.	H	α-helix	trans	-65.3	-44.2	171.1	175.3	76.8	0	0	0	111.9	T253 P255 R425 D472 W473 L474 A479 F480	T253-W476 PolarHBondContact O-NE1 3.23Å; P255-W476 HydrophobicContact CB-CD2 3.83Å; P255-W476 HydrophobicContact CB-CE3 4.03Å; P255-W476 HydrophobicContact CB-CG 4.11Å; P255-W476 HydrophobicContact CG-CD2 3.78Å; P255-W476 HydrophobicContact CG-CE3 3.71Å; P255-W476 HydrophobicContact CG-CH2 3.8Å; P255-W476 HydrophobicContact CG-CZ2 3.84Å; P255-W476 HydrophobicContact CG-CZ3 3.73Å; R425-W476 VanDerWaalsContact CZ-CD1 3.42Å; D472-W476 PolarHBondContact O-N 3.33Å; W473-W476 WeakPolarHBondContact O-CB 3.3Å; W473-W476 PolarHBondContact O-N 3.33Å; L474-W476 PolarHBondContact O-N 2.99Å; W476-A479 PolarHBondContact O-N 3.31Å; W476-F480 AromaticContact CD1-CZ 3.93Å; W476-F480 AromaticContact CD2-CE2 3.72Å; W476-F480 HydrophobicContact CD2-CE2 3.72Å; W476-F480 HydrophobicContact CD2-CZ 4.28Å; W476-F480 AromaticContact CE2-CE2 3.44Å; W476-F480 VanDerWaalsContact CE2-CE2 3.44Å; W476-F480 AromaticContact CE2-CZ 3.7Å; W476-F480 HydrophobicContact CE3-CE2 4.15Å; W476-F480 HydrophobicContact CG-CE2 4.2Å; W476-F480 HydrophobicContact CG-CZ 4.47Å; W476-F480 HydrophobicContact CH2-CE2 4.1Å; W476-F480 AromaticContact CZ2-CE2 3.67Å; W476-F480 HydrophobicContact CZ2-CE2 3.67Å; W476-F480 HydrophobicContact CZ2-CZ 4.06Å; W476-F480 HydrophobicContact CZ3-CE2 4.31Å; W476-F480 AromaticContact NE1-CE2 3.72Å; W476-F480 AromaticContact NE1-CZ 3.49Å; W476-F480 WeakPolarHBondContact O-CD2 3.46Å; W476-F480 WeakPolarHBondContact O-CE2 3.42Å
477	F	90.6	Very high	90.3	Very high	84 Å²	84	40.2 Å²	40.2	37%	0.368	18%	0.183	S	C	.	.	H	α-helix	trans	-63.7	-42	174.6	-78.8	-72.5	0	0	0	112.2	F180 W473 L474 A479 F480	F180-F477 HydrophobicContact CE1-CE2 4.07Å; W473-F477 AromaticContact CD1-CD2 3.9Å; W473-F477 AromaticContact CD1-CE2 3.59Å; W473-F477 AromaticContact NE1-CE2 3.53Å; L474-F477 HydrophobicContact CD2-CD2 4.06Å; L474-F477 PolarHBondContact O-N 3.43Å; L474-F477 VanDerWaalsContact O-N 3.13Å; F477-A479 PolarHBondContact O-N 3.26Å; F477-F480 PolarHBondContact O-N 3.39Å
478	A	92.3	Very high	90.1	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-59.6	-33.8	177.4	0	0	0	0	0	112.3	L474 F480 Q481 W488 V489 Y552	L474-A478 PolarHBondContact O-N 3.2Å; A478-F480 PolarHBondContact O-N 3.32Å; A478-Q481 PolarHBondContact O-N 2.88Å; A478-W488 HydrophobicContact CB-CZ2 4.02Å; A478-V489 HydrophobicContact CB-CG2 4.07Å; A478-Y552 PolarHBondContact O-OH 3.28Å
479	A	91.1	Very high	90.1	Very high	2 Å²	2	38.4 Å²	38.4	2%	0.017	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-5.8	179.1	0	0	0	0	0	115.3	T426 V428 M475 W476 F477 H525	T426-A479 WeakPolarHBondContact O-CB 3.43Å; T426-A479 PolarHBondContact OG1-O 2.94Å; V428-A479 HydrophobicContact CG2-CB 4.3Å; M475-A479 PolarHBondContact O-N 2.8Å; W476-A479 PolarHBondContact O-N 3.31Å; F477-A479 PolarHBondContact O-N 3.26Å; A479-H525 PolarHBondContact O-NE2 3.14Å; A479-H525 VanDerWaalsContact O-NE2 3.08Å
480	F	85.7	Confident	89.9	Confident	77 Å²	77	36 Å²	36	34%	0.338	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.6	-2.1	172.5	-45.4	-51.1	0	0	0	114	T422 T426 W476 F477 A478	T422-F480 HydrophobicContact CG2-CD1 4.08Å; T422-F480 HydrophobicContact CG2-CE1 3.62Å; T422-F480 HydrophobicContact CG2-CZ 4.08Å; T426-F480 WeakPolarHBondContact OG1-CD1 3.41Å; T426-F480 VanDerWaalsContact OG1-CE1 3.31Å; T426-F480 WeakPolarHBondContact OG1-CE1 3.41Å; W476-F480 AromaticContact CD1-CZ 3.93Å; W476-F480 AromaticContact CD2-CE2 3.72Å; W476-F480 HydrophobicContact CD2-CE2 3.72Å; W476-F480 HydrophobicContact CD2-CZ 4.28Å; W476-F480 AromaticContact CE2-CE2 3.44Å; W476-F480 VanDerWaalsContact CE2-CE2 3.44Å; W476-F480 AromaticContact CE2-CZ 3.7Å; W476-F480 HydrophobicContact CE3-CE2 4.15Å; W476-F480 HydrophobicContact CG-CE2 4.2Å; W476-F480 HydrophobicContact CG-CZ 4.47Å; W476-F480 HydrophobicContact CH2-CE2 4.1Å; W476-F480 AromaticContact CZ2-CE2 3.67Å; W476-F480 HydrophobicContact CZ2-CE2 3.67Å; W476-F480 HydrophobicContact CZ2-CZ 4.06Å; W476-F480 HydrophobicContact CZ3-CE2 4.31Å; W476-F480 AromaticContact NE1-CE2 3.72Å; W476-F480 AromaticContact NE1-CZ 3.49Å; W476-F480 WeakPolarHBondContact O-CD2 3.46Å; W476-F480 WeakPolarHBondContact O-CE2 3.42Å; F477-F480 PolarHBondContact O-N 3.39Å; A478-F480 PolarHBondContact O-N 3.32Å
481	Q	86.8	Confident	89.7	Confident	77 Å²	77	36 Å²	36	36%	0.36	17%	0.167	S	C	.	.	S	Bend	trans	-110	-176.1	-177.6	-70.5	-175.8	-20.2	0	0	110.7	A478 Q485 S486 Y552	A478-Q481 PolarHBondContact O-N 2.88Å; Q481-Q485 HydrophobicContact CB-CB 4.29Å; Q481-S486 PolarHBondContact OE1-OG 3.39Å; Q481-Y552 WeakPolarHBondContact O-CE2 3.44Å
482	T	86.1	Confident	89.6	Confident	55 Å²	55	36 Å²	36	34%	0.337	17%	0.167	S	C	.	.			trans	-95.3	157.7	160.7	65.6	0	0	0	0	110.3	E484 Q485 S486 Y552	T482-E484 PolarHBondContact O-N 3.38Å; T482-Q485 PolarHBondContact O-N 3.03Å; T482-Q485 VanDerWaalsContact O-N 3.09Å; T482-Q485 PolarHBondContact OG1-N 3.5Å; T482-S486 PolarHBondContact O-N 3.22Å; T482-Y552 PolarHBondContact O-OH 3.09Å
483	Y	83.3	Confident	89.6	Confident	78 Å²	78	35.9 Å²	35.9	31%	0.306	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-24.7	174.6	60.9	-93.7	0	0	0	112.5	S486 E487 I490 Y552 F553	Y483-S486 CarbonylContact O-C 3.43Å; Y483-S486 PolarHBondContact O-N 2.86Å; Y483-E487 PolarHBondContact O-N 2.91Å; Y483-I490 HydrophobicContact CD2-CD1 4Å; Y483-I490 HydrophobicContact CD2-CG1 4.3Å; Y483-I490 HydrophobicContact CG-CD1 4.34Å; Y483-Y552 WeakPolarHBondContact CD1-O 3.46Å; Y483-Y552 PolarHBondContact N-OH 2.82Å; Y483-F553 HydrophobicContact CD1-CB 3.68Å; Y483-F553 HydrophobicContact CE1-CB 4.06Å; Y483-F553 HydrophobicContact CG-CB 3.96Å
484	E	82.9	Confident	89.6	Confident	126 Å²	126	35.4 Å²	35.4	59%	0.589	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68	-36	175.5	-52.5	171.5	143.3	0	0	111.9	T482 S486	T482-E484 PolarHBondContact O-N 3.38Å; E484-S486 VanDerWaalsContact C-N 3.34Å
485	Q	83.1	Confident	89.6	Confident	130 Å²	130	35.7 Å²	35.7	61%	0.607	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-22.8	174.2	-67.6	173	-0.1	0	0	112.6	Q481 T482	Q481-Q485 HydrophobicContact CB-CB 4.29Å; T482-Q485 PolarHBondContact O-N 3.03Å; T482-Q485 VanDerWaalsContact O-N 3.09Å; T482-Q485 PolarHBondContact OG1-N 3.5Å
486	S	84.9	Confident	89.6	Confident	4 Å²	4	35.7 Å²	35.7	3%	0.028	17%	0.165	C	C	.	.			trans	-116.6	60.8	-179.8	-96.8	0	0	0	0	110.8	Q481 T482 Y483 E484 W488 V489	Q481-S486 PolarHBondContact OE1-OG 3.39Å; T482-S486 PolarHBondContact O-N 3.22Å; Y483-S486 CarbonylContact O-C 3.43Å; Y483-S486 PolarHBondContact O-N 2.86Å; E484-S486 VanDerWaalsContact C-N 3.34Å; S486-W488 PolarHBondContact O-N 2.78Å; S486-W488 PolarHBondContact OG-NE1 3.48Å; S486-W488 VanDerWaalsContact OG-NE1 3.14Å; S486-V489 VanDerWaalsContact O-CB 3.23Å; S486-V489 WeakPolarHBondContact O-CB 3.43Å; S486-V489 WeakPolarHBondContact O-CG2 3.33Å; S486-V489 PolarHBondContact O-N 2.9Å
487	E	83	Confident	89.7	Confident	61 Å²	61	34.8 Å²	34.8	29%	0.285	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.8	-29.6	-174.6	-59.7	-174.3	162.5	0	0	114.9	Y483 V489 I490 Q491 Y564 R568 W570	Y483-E487 PolarHBondContact O-N 2.91Å; E487-V489 PolarHBondContact O-N 3.5Å; E487-I490 PolarHBondContact O-N 2.97Å; E487-I490 VanDerWaalsContact O-N 3.13Å; E487-Q491 PolarHBondContact O-N 3.46Å; E487-Y564 WeakPolarHBondContact CB-OH 3.44Å; E487-R568 IonicContact OE1-CZ 2.77Å; E487-R568 IonicContact OE1-NH1 3.48Å; E487-R568 PolarHBondContact OE1-NH1 2.81Å; E487-R568 IonicContact OE1-NH2 3.78Å; E487-R568 PolarHBondContact OE1-NH2 2.93Å; E487-R568 IonicContact OE2-CZ 2.72Å; E487-R568 IonicContact OE2-NH1 3.62Å; E487-R568 PolarHBondContact OE2-NH1 3.44Å; E487-R568 IonicContact OE2-NH2 3.85Å; E487-W570 HydrophobicContact CB-CH2 3.89Å
488	W	90.9	Very high	89.8	Confident	7 Å²	7	32.3 Å²	32.3	3%	0.027	16%	0.157	C	C	.	.	H	α-helix	trans	-64	-19.7	175.9	67.1	-88.8	0	0	0	113.7	M94 W177 L471 L474 M475 A478 S486 Q491 L492	M94-W488 HydrophobicContact CE-CB 3.87Å; M94-W488 HydrophobicContact CE-CG 4.13Å; M94-W488 HydrophobicContact CG-CB 4.46Å; M94-W488 HydrophobicContact SD-CB 4.22Å; W177-W488 HydrophobicContact CH2-CD2 4.26Å; W177-W488 AromaticContact CH2-CE3 3.76Å; W177-W488 HydrophobicContact CH2-CE3 3.76Å; W177-W488 HydrophobicContact CH2-CZ3 4.03Å; W177-W488 HydrophobicContact CZ2-CE3 4.34Å; L471-W488 HydrophobicContact CD1-CE3 4.47Å; L471-W488 HydrophobicContact CD1-CH2 4.5Å; L471-W488 HydrophobicContact CD1-CZ3 3.73Å; L474-W488 HydrophobicContact CB-CH2 3.78Å; L474-W488 HydrophobicContact CB-CZ2 3.56Å; M475-W488 HydrophobicContact CG-CH2 3.96Å; M475-W488 HydrophobicContact CG-CZ3 4.44Å; M475-W488 HydrophobicContact SD-CH2 3.5Å; M475-W488 WeakPolarHBondContact SD-CH2 3.39Å; M475-W488 HydrophobicContact SD-CZ3 3.86Å; A478-W488 HydrophobicContact CB-CZ2 4.02Å; S486-W488 PolarHBondContact O-N 2.78Å; S486-W488 PolarHBondContact OG-NE1 3.48Å; S486-W488 VanDerWaalsContact OG-NE1 3.14Å; W488-Q491 WeakPolarHBondContact O-CB 3.37Å; W488-Q491 PolarHBondContact O-N 2.91Å; W488-L492 HydrophobicContact CZ3-CD2 4.48Å; W488-L492 PolarHBondContact O-N 3.29Å
489	V	94	Very high	89.8	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-66.9	-38	172	169	0	0	0	0	110.7	F430 A478 S486 E487 L492 A493 Y552 F553	F430-V489 HydrophobicContact CE1-CG1 4.33Å; F430-V489 HydrophobicContact CZ-CG1 3.83Å; A478-V489 HydrophobicContact CB-CG2 4.07Å; S486-V489 VanDerWaalsContact O-CB 3.23Å; S486-V489 WeakPolarHBondContact O-CB 3.43Å; S486-V489 WeakPolarHBondContact O-CG2 3.33Å; S486-V489 PolarHBondContact O-N 2.9Å; E487-V489 PolarHBondContact O-N 3.5Å; V489-L492 PolarHBondContact O-N 3.06Å; V489-A493 PolarHBondContact O-N 3.26Å; V489-Y552 HydrophobicContact CG1-CE1 4.2Å; V489-F553 HydrophobicContact CG1-CD1 4.08Å; V489-F553 HydrophobicContact CG1-CE1 3.8Å
490	I	91.7	Very high	89.8	Confident	13 Å²	13	35 Å²	35	7%	0.067	17%	0.171	C	C	.	.	H	α-helix	trans	-74.1	-34.1	176.4	-56.4	-56.7	0	0	0	110.7	Y483 E487 L492 A493 G494 F553 I556 L561 Y564	Y483-I490 HydrophobicContact CD2-CD1 4Å; Y483-I490 HydrophobicContact CD2-CG1 4.3Å; Y483-I490 HydrophobicContact CG-CD1 4.34Å; E487-I490 PolarHBondContact O-N 2.97Å; E487-I490 VanDerWaalsContact O-N 3.13Å; I490-L492 VanDerWaalsContact C-N 3.34Å; I490-A493 WeakPolarHBondContact O-CB 3.12Å; I490-A493 PolarHBondContact O-N 2.99Å; I490-G494 PolarHBondContact O-N 3.5Å; I490-F553 HydrophobicContact CD1-CD1 4.4Å; I490-F553 HydrophobicContact CD1-CG 4.33Å; I490-I556 HydrophobicContact CD1-CD1 4.39Å; I490-L561 HydrophobicContact CG2-CD2 3.55Å; I490-Y564 HydrophobicContact CB-CE1 3.94Å; I490-Y564 HydrophobicContact CG2-CD1 3.85Å; I490-Y564 HydrophobicContact CG2-CE1 3.6Å
491	Q	91	Very high	90	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-58.8	-46.1	167.5	-177.9	74.8	-14.4	0	0	111.2	L93 E487 W488 A493 G494 R495 F565 W570	L93-Q491 HydrophobicContact CB-CG 4.49Å; L93-Q491 HydrophobicContact CD2-CB 4.36Å; L93-Q491 HydrophobicContact CD2-CG 3.78Å; L93-Q491 WeakPolarHBondContact O-CG 3.4Å; E487-Q491 PolarHBondContact O-N 3.46Å; W488-Q491 WeakPolarHBondContact O-CB 3.37Å; W488-Q491 PolarHBondContact O-N 2.91Å; Q491-A493 VanDerWaalsContact C-N 3.34Å; Q491-A493 PolarHBondContact O-N 3.07Å; Q491-G494 PolarHBondContact O-N 3.11Å; Q491-R495 WeakPolarHBondContact O-CG 3.49Å; Q491-R495 PolarHBondContact O-N 2.83Å; Q491-F565 VanDerWaalsContact OE1-CZ 3.28Å; Q491-W570 HydrophobicContact CB-CE3 3.98Å; Q491-W570 HydrophobicContact CB-CH2 4.28Å; Q491-W570 HydrophobicContact CB-CZ3 3.65Å; Q491-W570 HydrophobicContact CG-CE3 4.35Å; Q491-W570 HydrophobicContact CG-CZ3 4.44Å
492	L	94.7	Very high	90.2	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.01	19%	0.185	C	C	.	.	H	α-helix	trans	-61.7	-42	176.1	-179.7	59.5	0	0	0	111.2	L93 F430 F450 L471 W488 V489 I490 G494 R495 L496 V503	L93-L492 HydrophobicContact CD2-CB 4.06Å; L93-L492 HydrophobicContact CD2-CD1 4.28Å; F430-L492 HydrophobicContact CE1-CD2 4.48Å; F430-L492 HydrophobicContact CE1-CG 4.41Å; F430-L492 HydrophobicContact CE2-CD2 3.72Å; F430-L492 HydrophobicContact CE2-CG 4.46Å; F430-L492 HydrophobicContact CZ-CB 4.32Å; F430-L492 HydrophobicContact CZ-CD2 3.65Å; F430-L492 HydrophobicContact CZ-CG 4Å; F450-L492 HydrophobicContact CE1-CD2 4.44Å; F450-L492 HydrophobicContact CZ-CD2 4.36Å; L471-L492 HydrophobicContact CD1-CD2 4.23Å; W488-L492 HydrophobicContact CZ3-CD2 4.48Å; W488-L492 PolarHBondContact O-N 3.29Å; V489-L492 PolarHBondContact O-N 3.06Å; I490-L492 VanDerWaalsContact C-N 3.34Å; L492-G494 PolarHBondContact O-N 3.28Å; L492-R495 PolarHBondContact O-N 3.33Å; L492-R495 VanDerWaalsContact O-N 3.14Å; L492-L496 HydrophobicContact CD1-CD1 4.5Å; L492-L496 HydrophobicContact CD1-CG 4.37Å; L492-L496 HydrophobicContact CG-CD1 4.04Å; L492-L496 HydrophobicContact CG-CG 4.42Å; L492-L496 WeakPolarHBondContact O-CG 3.42Å; L492-L496 PolarHBondContact O-N 2.97Å; L492-V503 HydrophobicContact CD1-CG1 3.92Å
493	A	95	Very high	90.4	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-57.3	-44.7	173.8	0	0	0	0	0	112.9	F430 V489 I490 Q491 R495 L496 L497 V521 F553 I556	F430-A493 HydrophobicContact CE1-CB 4.27Å; V489-A493 PolarHBondContact O-N 3.26Å; I490-A493 WeakPolarHBondContact O-CB 3.12Å; I490-A493 PolarHBondContact O-N 2.99Å; Q491-A493 VanDerWaalsContact C-N 3.34Å; Q491-A493 PolarHBondContact O-N 3.07Å; A493-R495 VanDerWaalsContact C-N 3.33Å; A493-R495 PolarHBondContact O-N 3.23Å; A493-L496 WeakPolarHBondContact O-CB 3.01Å; A493-L496 PolarHBondContact O-N 3.46Å; A493-L497 WeakPolarHBondContact O-CG 3.4Å; A493-L497 PolarHBondContact O-N 3.33Å; A493-V521 HydrophobicContact CB-CG1 4.28Å; A493-F553 HydrophobicContact CB-CE2 4.23Å; A493-F553 HydrophobicContact CB-CZ 3.96Å; A493-I556 HydrophobicContact CB-CD1 3.71Å
494	G	93.5	Very high	90.9	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-64.1	-34.2	174.4	0	0	0	0	0	113.8	I490 Q491 L492 A498	I490-G494 PolarHBondContact O-N 3.5Å; Q491-G494 PolarHBondContact O-N 3.11Å; L492-G494 PolarHBondContact O-N 3.28Å; G494-A498 PolarHBondContact O-N 3.25Å; G494-A498 VanDerWaalsContact O-N 3.09Å
495	R	93.1	Very high	91.5	Very high	10 Å²	10	25.5 Å²	25.5	4%	0.038	15%	0.147	C	C	.	.	H	α-helix	trans	-72.5	-32	174.8	-66	-74.6	-174.9	-170.4	-0.6	112.6	N91 L93 Q491 L492 A493 N499 D500 V503	N91-R495 PolarHBondContact O-NH2 3.47Å; L93-R495 HydrophobicContact CD2-CG 4.27Å; Q491-R495 WeakPolarHBondContact O-CG 3.49Å; Q491-R495 PolarHBondContact O-N 2.83Å; L492-R495 PolarHBondContact O-N 3.33Å; L492-R495 VanDerWaalsContact O-N 3.14Å; A493-R495 VanDerWaalsContact C-N 3.33Å; A493-R495 PolarHBondContact O-N 3.23Å; R495-N499 PolarHBondContact O-N 3.4Å; R495-D500 HydrophobicContact CB-CB 4.17Å; R495-D500 WeakPolarHBondContact CD-OD2 3.24Å; R495-D500 IonicContact CZ-OD2 2.7Å; R495-D500 IonicContact NE-OD2 3.03Å; R495-D500 IonicContact NH1-OD2 3.34Å; R495-D500 PolarHBondContact NH1-OD2 3.32Å; R495-D500 WeakPolarHBondContact O-CB 3.46Å; R495-D500 PolarHBondContact O-N 3.08Å; R495-V503 HydrophobicContact CB-CB 4.13Å; R495-V503 HydrophobicContact CB-CG1 4Å; R495-V503 HydrophobicContact CB-CG2 4.4Å; R495-V503 HydrophobicContact CG-CB 4.27Å; R495-V503 HydrophobicContact CG-CG1 4.25Å; R495-V503 HydrophobicContact CG-CG2 3.99Å
496	L	95.3	Very high	92.1	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.005	12%	0.121	C	C	.	.	H	α-helix	trans	-66.3	-47.2	170.8	-67.8	162.2	0	0	0	110.8	F430 Y448 L492 A493 A498 N499 L504 L507 V521	F430-L496 HydrophobicContact CB-CD1 4.01Å; F430-L496 HydrophobicContact CD1-CD1 3.24Å; F430-L496 HydrophobicContact CD2-CD1 4.47Å; F430-L496 HydrophobicContact CE1-CD1 3.66Å; F430-L496 HydrophobicContact CG-CD1 3.69Å; F430-L496 HydrophobicContact CZ-CD1 4.41Å; Y448-L496 HydrophobicContact CD1-CD2 3.39Å; Y448-L496 HydrophobicContact CD2-CD2 3.91Å; Y448-L496 HydrophobicContact CE1-CD2 3.2Å; Y448-L496 HydrophobicContact CE1-CG 4.46Å; Y448-L496 HydrophobicContact CE2-CB 4.32Å; Y448-L496 HydrophobicContact CE2-CD2 3.75Å; Y448-L496 HydrophobicContact CE2-CG 4.44Å; Y448-L496 HydrophobicContact CG-CD2 3.72Å; Y448-L496 PolarHBondContact OH-O 3.11Å; L492-L496 HydrophobicContact CD1-CD1 4.5Å; L492-L496 HydrophobicContact CD1-CG 4.37Å; L492-L496 HydrophobicContact CG-CD1 4.04Å; L492-L496 HydrophobicContact CG-CG 4.42Å; L492-L496 WeakPolarHBondContact O-CG 3.42Å; L492-L496 PolarHBondContact O-N 2.97Å; A493-L496 WeakPolarHBondContact O-CB 3.01Å; A493-L496 PolarHBondContact O-N 3.46Å; L496-A498 VanDerWaalsContact C-N 3.33Å; L496-A498 PolarHBondContact O-N 3.17Å; L496-N499 PolarHBondContact O-N 3.19Å; L496-L504 HydrophobicContact CD2-CD2 3.34Å; L496-L504 HydrophobicContact CG-CD2 4.03Å; L496-L507 HydrophobicContact CD2-CD1 3.88Å; L496-V521 HydrophobicContact CB-CG1 4.42Å; L496-V521 HydrophobicContact CB-CG2 4.02Å; L496-V521 HydrophobicContact CD1-CG1 4.2Å
497	L	95.1	Very high	92.7	Very high	4 Å²	4	20 Å²	20	2%	0.021	12%	0.122	C	C	.	.	H	α-helix	trans	-58.5	-38.7	176.1	-78.2	161.4	0	0	0	113.3	A493 N499 P517 P518 V521 L558 L561	A493-L497 WeakPolarHBondContact O-CG 3.4Å; A493-L497 PolarHBondContact O-N 3.33Å; L497-N499 VanDerWaalsContact C-N 3.32Å; L497-P517 VanDerWaalsContact O-CB 3.23Å; L497-P517 WeakPolarHBondContact O-CB 3.28Å; L497-P518 WeakPolarHBondContact CD2-O 3.44Å; L497-V521 HydrophobicContact CD2-CB 4.14Å; L497-V521 HydrophobicContact CD2-CG2 3.81Å; L497-V521 HydrophobicContact CG-CB 3.98Å; L497-V521 HydrophobicContact CG-CG2 3.72Å; L497-L558 HydrophobicContact CB-CB 4.3Å; L497-L558 HydrophobicContact CB-CD1 4.23Å; L497-L561 HydrophobicContact CD1-CD1 3.61Å
498	A	92.4	Very high	93.3	Very high	31 Å²	31	20.2 Å²	20.2	26%	0.256	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	6	175.9	0	0	0	0	0	114.6	G494 L496 D500 L558 P573	G494-A498 PolarHBondContact O-N 3.25Å; G494-A498 VanDerWaalsContact O-N 3.09Å; L496-A498 VanDerWaalsContact C-N 3.33Å; L496-A498 PolarHBondContact O-N 3.17Å; A498-D500 VanDerWaalsContact C-N 3.25Å; A498-D500 PolarHBondContact O-N 3.04Å; A498-L558 HydrophobicContact CB-CD2 4.2Å; A498-P573 HydrophobicContact CB-CB 3.35Å
499	N	92.4	Very high	93.5	Very high	34 Å²	34	24.6 Å²	24.6	18%	0.182	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	39.7	-178.7	-153.9	6.2	0	0	0	113.4	R495 L496 L497 S501 N510 F512 R515 P517	R495-N499 PolarHBondContact O-N 3.4Å; L496-N499 PolarHBondContact O-N 3.19Å; L497-N499 VanDerWaalsContact C-N 3.32Å; N499-S501 PolarHBondContact O-N 3.46Å; N499-N510 PolarHBondContact OD1-ND2 2.96Å; N499-F512 PolarHBondContact ND2-O 2.87Å; N499-R515 PolarHBondContact ND2-O 2.87Å; N499-P517 HydrophobicContact CB-CB 4.11Å
500	D	91.3	Very high	93.6	Very high	26 Å²	26	25.2 Å²	25.2	14%	0.139	15%	0.148	C	C	.	.			trans	-66.1	100.3	-169.7	-173.5	-46.4	0	0	0	112.4	R495 A498 T502 V503 L504	R495-D500 HydrophobicContact CB-CB 4.17Å; R495-D500 WeakPolarHBondContact CD-OD2 3.24Å; R495-D500 IonicContact CZ-OD2 2.7Å; R495-D500 IonicContact NE-OD2 3.03Å; R495-D500 IonicContact NH1-OD2 3.34Å; R495-D500 PolarHBondContact NH1-OD2 3.32Å; R495-D500 WeakPolarHBondContact O-CB 3.46Å; R495-D500 PolarHBondContact O-N 3.08Å; A498-D500 VanDerWaalsContact C-N 3.25Å; A498-D500 PolarHBondContact O-N 3.04Å; D500-T502 PolarHBondContact O-N 2.85Å; D500-T502 WeakPolarHBondContact OD1-CA 3.37Å; D500-T502 VanDerWaalsContact OD1-CB 3.25Å; D500-T502 WeakPolarHBondContact OD1-CB 3.11Å; D500-T502 PolarHBondContact OD1-N 2.73Å; D500-V503 HydrophobicContact CB-CB 4.49Å; D500-V503 PolarHBondContact O-N 2.77Å; D500-V503 PolarHBondContact OD1-N 3.13Å; D500-L504 VanDerWaalsContact O-CB 3.27Å; D500-L504 WeakPolarHBondContact O-CB 3.44Å; D500-L504 WeakPolarHBondContact O-CG 3.43Å; D500-L504 PolarHBondContact O-N 2.6Å
501	S	90.1	Very high	93.8	Very high	101 Å²	101	25 Å²	25	71%	0.706	15%	0.148	S	C	*	.	H	α-helix	trans	-59	-22	-177.2	61.6	0	0	0	0	114.6	N499 S505	N499-S501 PolarHBondContact O-N 3.46Å; S501-S505 PolarHBondContact O-N 3.24Å
502	T	90.1	Very high	94	Very high	46 Å²	46	25 Å²	25	28%	0.282	15%	0.148	S	C	.	.	H	α-helix	trans	-72.1	-58.9	174.8	-57.4	0	0	0	0	109.4	K85 Q86 D500 L504 S505	K85-T502 HydrophobicContact CG-CG2 4.36Å; Q86-T502 HydrophobicContact CG-CG2 4.24Å; Q86-T502 WeakPolarHBondContact CG-O 3.38Å; D500-T502 PolarHBondContact O-N 2.85Å; D500-T502 WeakPolarHBondContact OD1-CA 3.37Å; D500-T502 VanDerWaalsContact OD1-CB 3.25Å; D500-T502 WeakPolarHBondContact OD1-CB 3.11Å; D500-T502 PolarHBondContact OD1-N 2.73Å; T502-L504 PolarHBondContact O-N 3.11Å; T502-S505 WeakPolarHBondContact O-CB 3.25Å; T502-S505 PolarHBondContact O-N 3.35Å; T502-S505 PolarHBondContact O-OG 3.24Å
503	V	91.5	Very high	94	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-67.1	-39.5	-177.6	174.5	0	0	0	0	111.6	L93 L492 R495 D500 S505 L506	L93-V503 HydrophobicContact CD1-CG1 4.36Å; L93-V503 HydrophobicContact CD2-CG1 3.81Å; L93-V503 HydrophobicContact CG-CG1 4.02Å; L492-V503 HydrophobicContact CD1-CG1 3.92Å; R495-V503 HydrophobicContact CB-CB 4.13Å; R495-V503 HydrophobicContact CB-CG1 4Å; R495-V503 HydrophobicContact CB-CG2 4.4Å; R495-V503 HydrophobicContact CG-CB 4.27Å; R495-V503 HydrophobicContact CG-CG1 4.25Å; R495-V503 HydrophobicContact CG-CG2 3.99Å; D500-V503 HydrophobicContact CB-CB 4.49Å; D500-V503 PolarHBondContact O-N 2.77Å; D500-V503 PolarHBondContact OD1-N 3.13Å; V503-S505 PolarHBondContact O-N 3.4Å; V503-L506 WeakPolarHBondContact O-CB 3.27Å; V503-L506 WeakPolarHBondContact O-CG 3.28Å; V503-L506 PolarHBondContact O-N 3.18Å
504	L	94	Very high	93.8	Very high	11 Å²	11	36 Å²	36	6%	0.058	22%	0.223	C	C	.	.	H	α-helix	trans	-71.8	-12.2	-177.4	-58	-176.8	0	0	0	113.6	L496 D500 T502 L506 L507 N510	L496-L504 HydrophobicContact CD2-CD2 3.34Å; L496-L504 HydrophobicContact CG-CD2 4.03Å; D500-L504 VanDerWaalsContact O-CB 3.27Å; D500-L504 WeakPolarHBondContact O-CB 3.44Å; D500-L504 WeakPolarHBondContact O-CG 3.43Å; D500-L504 PolarHBondContact O-N 2.6Å; T502-L504 PolarHBondContact O-N 3.11Å; L504-L506 PolarHBondContact O-N 3.39Å; L504-L507 HydrophobicContact CD2-CD1 3.76Å; L504-L507 WeakPolarHBondContact O-CB 3.21Å; L504-L507 PolarHBondContact O-N 2.7Å; L504-N510 WeakPolarHBondContact CD1-ND2 3.22Å
505	S	94.7	Very high	93.7	Very high	54 Å²	54	41.2 Å²	41.2	38%	0.378	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-24	169.3	69.5	0	0	0	0	113.6	Q86 R451 S501 T502 V503 L507	Q86-S505 WeakPolarHBondContact CG-OG 3.21Å; Q86-S505 PolarHBondContact NE2-OG 3.45Å; R451-S505 PolarHBondContact NH2-O 2.81Å; R451-S505 VanDerWaalsContact NH2-O 3.07Å; S501-S505 PolarHBondContact O-N 3.24Å; T502-S505 WeakPolarHBondContact O-CB 3.25Å; T502-S505 PolarHBondContact O-N 3.35Å; T502-S505 PolarHBondContact O-OG 3.24Å; V503-S505 PolarHBondContact O-N 3.4Å; S505-L507 VanDerWaalsContact C-N 3.28Å; S505-L507 PolarHBondContact O-N 2.75Å
506	L	95.7	Very high	93.7	Very high	13 Å²	13	46.5 Å²	46.5	7%	0.068	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-26	173.1	-64.1	179.2	0	0	0	112.9	Q83 Q86 L87 R451 L471 V503 L504	Q83-L506 HydrophobicContact CB-CD2 4.28Å; Q83-L506 HydrophobicContact CG-CD2 3.87Å; Q86-L506 HydrophobicContact CB-CD1 3.58Å; Q86-L506 HydrophobicContact CB-CD2 3.89Å; Q86-L506 HydrophobicContact CB-CG 3.63Å; Q86-L506 HydrophobicContact CG-CD1 4.42Å; Q86-L506 HydrophobicContact CG-CD2 4.04Å; Q86-L506 HydrophobicContact CG-CG 3.92Å; L87-L506 HydrophobicContact CD2-CD1 3.52Å; L87-L506 HydrophobicContact CG-CD1 4.18Å; R451-L506 WeakPolarHBondContact CG-O 3.43Å; R451-L506 PolarHBondContact NE-O 2.87Å; L471-L506 HydrophobicContact CB-CD1 4.39Å; L471-L506 HydrophobicContact CD2-CB 3.75Å; L471-L506 HydrophobicContact CD2-CD1 3.89Å; L471-L506 HydrophobicContact CD2-CG 4.5Å; V503-L506 WeakPolarHBondContact O-CB 3.27Å; V503-L506 WeakPolarHBondContact O-CG 3.28Å; V503-L506 PolarHBondContact O-N 3.18Å; L504-L506 PolarHBondContact O-N 3.39Å
507	L	96.5	Very high	93.6	Very high	6 Å²	6	49.5 Å²	49.5	3%	0.031	29%	0.29	C	S	.	.	S	Bend	trans	-82	159.3	-179.6	-58.3	-175.5	0	0	0	111.6	Y448 F450 R451 L471 L496 L504 S505	Y448-L507 HydrophobicContact CD1-CD1 3.81Å; Y448-L507 HydrophobicContact CG-CD1 4.39Å; F450-L507 HydrophobicContact CD1-CD2 3.5Å; F450-L507 HydrophobicContact CE1-CD2 3.48Å; F450-L507 VanDerWaalsContact CE1-CD2 3.48Å; F450-L507 HydrophobicContact CG-CD2 4.08Å; F450-L507 HydrophobicContact CZ-CD2 4.05Å; R451-L507 PolarHBondContact NE-O 3.21Å; R451-L507 VanDerWaalsContact NE-O 3.07Å; R451-L507 PolarHBondContact NH2-O 2.93Å; L471-L507 HydrophobicContact CD2-CD2 3.96Å; L496-L507 HydrophobicContact CD2-CD1 3.88Å; L504-L507 HydrophobicContact CD2-CD1 3.76Å; L504-L507 WeakPolarHBondContact O-CB 3.21Å; L504-L507 PolarHBondContact O-N 2.7Å; S505-L507 VanDerWaalsContact C-N 3.28Å; S505-L507 PolarHBondContact O-N 2.75Å
508	D	95.6	Very high	93.7	Very high	66 Å²	66	49.5 Å²	49.5	35%	0.353	29%	0.291	S	S	.	.	S	Bend	trans	-87.9	-37.8	179	-154.1	51.8	0	0	0	112.5	Q449 F450 R451 R459	Q449-D508 PolarHBondContact O-N 3.19Å; F450-D508 WeakPolarHBondContact O-CB 3.41Å; R451-D508 WeakPolarHBondContact CD-OD1 3.44Å; R451-D508 IonicContact CZ-OD1 3.12Å; R451-D508 IonicContact NE-OD1 3.68Å; R451-D508 IonicContact NH1-OD1 2.71Å; R451-D508 PolarHBondContact NH1-OD1 2.73Å; R459-D508 IonicContact CZ-OD2 3.1Å; R459-D508 IonicContact NH1-OD2 2.71Å; R459-D508 PolarHBondContact NH1-OD2 3.23Å; R459-D508 IonicContact NH2-OD1 2.7Å; R459-D508 IonicContact NH2-OD2 3.15Å; R459-D508 PolarHBondContact NH2-OD2 2.72Å
509	H	95.9	Very high	93.8	Very high	99 Å²	99	55.4 Å²	55.4	46%	0.458	31%	0.306	S	S	.	.	B	Isolated β-bridge	trans	-138.9	125.1	174.2	-177.5	66.9	0	0	0	110.4	Q449	Q449-H509 HydrophobicContact CB-CB 3.92Å; Q449-H509 HydrophobicContact CG-CB 4.09Å; Q449-H509 PolarHBondContact N-O 3.38Å; Q449-H509 PolarHBondContact O-N 2.56Å
510	N	96.6	Very high	94	Very high	12 Å²	12	56.6 Å²	56.6	6%	0.064	31%	0.309	C	S	.	.			trans	-109	110.1	165.7	169.1	14.7	0	0	0	107.4	Y448 N499 L504 F512 Q513	Y448-N510 HydrophobicContact CD1-CB 4.37Å; Y448-N510 HydrophobicContact CE1-CB 4.29Å; Y448-N510 WeakPolarHBondContact CE1-OD1 3.4Å; N499-N510 PolarHBondContact OD1-ND2 2.96Å; L504-N510 WeakPolarHBondContact CD1-ND2 3.22Å; N510-F512 PolarHBondContact O-N 2.81Å; N510-F512 PolarHBondContact OD1-N 3.24Å; N510-Q513 HydrophobicContact CB-CB 4.16Å; N510-Q513 VanDerWaalsContact O-CB 3.32Å; N510-Q513 WeakPolarHBondContact O-CB 3.49Å; N510-Q513 PolarHBondContact O-N 2.77Å
511	P	96	Very high	94.3	Very high	8 Å²	8	55.4 Å²	55.4	5%	0.052	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-34.5	178.6	17.8	-27.5	0	0	0	112.4	E446 Q513 R515	E446-P511 HydrophobicContact CB-CB 3.73Å; E446-P511 HydrophobicContact CB-CG 3.75Å; E446-P511 WeakPolarHBondContact OE2-CB 3.49Å; P511-Q513 VanDerWaalsContact C-N 3.26Å; P511-Q513 PolarHBondContact O-N 3.05Å; P511-R515 VanDerWaalsContact C-NH2 3.32Å; P511-R515 VanDerWaalsContact O-CZ 3.23Å; P511-R515 PolarHBondContact O-NE 3.06Å; P511-R515 PolarHBondContact O-NH2 3.01Å
512	F	95.6	Very high	94.6	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	9.7	-177.7	-54.5	-75.1	0	0	0	113.6	L434 E446 Y448 N499 N510 G514 R515 P518	L434-F512 HydrophobicContact CD1-CD1 4.44Å; L434-F512 HydrophobicContact CD1-CE1 4.17Å; L434-F512 HydrophobicContact CD2-CD1 4.48Å; L434-F512 HydrophobicContact CD2-CE1 4.46Å; L434-F512 HydrophobicContact CG-CD1 4.31Å; L434-F512 HydrophobicContact CG-CE1 3.89Å; E446-F512 HydrophobicContact CB-CE2 4.35Å; E446-F512 HydrophobicContact CB-CZ 4.03Å; E446-F512 HydrophobicContact CG-CZ 4.34Å; Y448-F512 HydrophobicContact CE1-CD2 4.4Å; Y448-F512 HydrophobicContact CE2-CD2 4.34Å; Y448-F512 HydrophobicContact CE2-CE2 4.25Å; Y448-F512 AromaticContact CZ-CD2 3.79Å; Y448-F512 WeakPolarHBondContact OH-CD2 3.43Å; N499-F512 PolarHBondContact ND2-O 2.87Å; N510-F512 PolarHBondContact O-N 2.81Å; N510-F512 PolarHBondContact OD1-N 3.24Å; F512-G514 PolarHBondContact O-N 3.07Å; F512-G514 VanDerWaalsContact O-N 3.16Å; F512-R515 PolarHBondContact O-N 3.07Å; F512-P518 HydrophobicContact CD1-CB 4.46Å; F512-P518 HydrophobicContact CD2-CB 4.1Å; F512-P518 HydrophobicContact CD2-CG 3.93Å; F512-P518 HydrophobicContact CE1-CB 4.3Å; F512-P518 HydrophobicContact CE2-CB 3.89Å; F512-P518 HydrophobicContact CE2-CG 4.13Å; F512-P518 HydrophobicContact CG-CB 4.39Å; F512-P518 HydrophobicContact CG-CG 4.31Å; F512-P518 HydrophobicContact CZ-CB 4.01Å
513	Q	93.8	Very high	95	Very high	149 Å²	149	51.1 Å²	51.1	70%	0.696	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	117.5	177	-176.2	172.2	-7.3	0	0	110.9	N510 P511 R515	N510-Q513 HydrophobicContact CB-CB 4.16Å; N510-Q513 VanDerWaalsContact O-CB 3.32Å; N510-Q513 WeakPolarHBondContact O-CB 3.49Å; N510-Q513 PolarHBondContact O-N 2.77Å; P511-Q513 VanDerWaalsContact C-N 3.26Å; P511-Q513 PolarHBondContact O-N 3.05Å; Q513-R515 PolarHBondContact O-N 3.5Å
514	G	90.8	Very high	95.2	Very high	86 Å²	86	51.4 Å²	51.4	89%	0.887	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.1	9.1	-175.4	0	0	0	0	0	114.6	F512	F512-G514 PolarHBondContact O-N 3.07Å; F512-G514 VanDerWaalsContact O-N 3.16Å
515	R	92.2	Very high	95.3	Very high	109 Å²	109	52.6 Å²	52.6	41%	0.411	27%	0.272	S	S	.	.	S	Bend	trans	-114.6	174	171	-65.4	-166.2	-79.8	159.7	-15.3	110.4	E446 N499 P511 F512 Q513	E446-R515 VanDerWaalsContact CD-NH2 3.27Å; E446-R515 IonicContact OE1-CZ 3.11Å; E446-R515 IonicContact OE1-NH1 2.73Å; E446-R515 PolarHBondContact OE1-NH1 2.9Å; E446-R515 IonicContact OE1-NH2 3.1Å; E446-R515 PolarHBondContact OE1-NH2 3.15Å; E446-R515 VanDerWaalsContact OE1-NH2 3.1Å; E446-R515 IonicContact OE2-CZ 2.78Å; E446-R515 IonicContact OE2-NH1 2.71Å; E446-R515 IonicContact OE2-NH2 2.71Å; E446-R515 PolarHBondContact OE2-NH2 2.88Å; N499-R515 PolarHBondContact ND2-O 2.87Å; P511-R515 VanDerWaalsContact C-NH2 3.32Å; P511-R515 VanDerWaalsContact O-CZ 3.23Å; P511-R515 PolarHBondContact O-NE 3.06Å; P511-R515 PolarHBondContact O-NH2 3.01Å; F512-R515 PolarHBondContact O-N 3.07Å; Q513-R515 PolarHBondContact O-N 3.5Å
516	D	92.1	Very high	95.4	Very high	120 Å²	120	51 Å²	51	64%	0.642	26%	0.258	S	S	*	.	P	Polyproline II helix	trans	-55.2	146.5	169.6	-69.9	-49.4	0	0	0	111.7	L434	L434-D516 HydrophobicContact CD2-CB 3.97Å
517	P	93.9	Very high	95.5	Very high	64 Å²	64	54.6 Å²	54.6	42%	0.416	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-60.1	145.2	172.6	24.4	-32.9	0	0	0	111.5	L434 L497 N499	L434-P517 VanDerWaalsContact CD2-O 3.31Å; L434-P517 WeakPolarHBondContact CD2-O 3.4Å; L497-P517 VanDerWaalsContact O-CB 3.23Å; L497-P517 WeakPolarHBondContact O-CB 3.28Å; N499-P517 HydrophobicContact CB-CB 4.11Å
518	P	96.1	Very high	95.5	Very high	4 Å²	4	54.3 Å²	54.3	3%	0.026	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-64.9	139.7	174.7	29.6	-34.2	0	0	0	110.3	T433 L497 F512 W520 V521	T433-P518 CarbonylContact O-C 3.51Å; T433-P518 WeakPolarHBondContact O-CA 3.2Å; T433-P518 WeakPolarHBondContact O-CB 3.38Å; L497-P518 WeakPolarHBondContact CD2-O 3.44Å; F512-P518 HydrophobicContact CD1-CB 4.46Å; F512-P518 HydrophobicContact CD2-CB 4.1Å; F512-P518 HydrophobicContact CD2-CG 3.93Å; F512-P518 HydrophobicContact CE1-CB 4.3Å; F512-P518 HydrophobicContact CE2-CB 3.89Å; F512-P518 HydrophobicContact CE2-CG 4.13Å; F512-P518 HydrophobicContact CG-CB 4.39Å; F512-P518 HydrophobicContact CG-CG 4.31Å; F512-P518 HydrophobicContact CZ-CB 4.01Å; P518-W520 VanDerWaalsContact C-N 3.33Å; P518-V521 HydrophobicContact CB-CG2 4.44Å; P518-V521 HydrophobicContact CG-CG2 3.92Å
519	R	95	Very high	95.5	Very high	155 Å²	155	56.1 Å²	56.1	59%	0.585	27%	0.274	S	S	*	.	S	Bend	trans	-69.5	-35.9	175.3	-67.9	-176	177.6	-86.3	-4.7	111.8	T433 L434 S435	T433-R519 PolarHBondContact O-N 2.8Å; L434-R519 WeakPolarHBondContact O-CD 3.22Å; S435-R519 WeakPolarHBondContact O-CD 3.46Å
520	W	97.1	Very high	95.5	Very high	60 Å²	60	51.6 Å²	51.6	23%	0.227	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	141.1	-177.1	-55.9	93.7	0	0	0	110.5	G432 T433 S435 P436 P438 W445 P518 A555 I556 D557	G432-W520 CarbonylContact C-O 3.41Å; G432-W520 VanDerWaalsContact CA-O 3.3Å; G432-W520 WeakPolarHBondContact CA-O 3.49Å; T433-W520 HydrophobicContact CG2-CB 3.99Å; T433-W520 PolarHBondContact N-O 3.47Å; T433-W520 PolarHBondContact O-N 3.45Å; S435-W520 VanDerWaalsContact O-CD1 3.29Å; P436-W520 PolarHBondContact O-NE1 3.22Å; P438-W520 HydrophobicContact CB-CB 4.2Å; P438-W520 HydrophobicContact CB-CD2 3.89Å; P438-W520 HydrophobicContact CB-CE3 4.3Å; P438-W520 HydrophobicContact CB-CG 3.81Å; P438-W520 VanDerWaalsContact CD-CE2 3.5Å; P438-W520 HydrophobicContact CG-CD2 3.69Å; P438-W520 HydrophobicContact CG-CE3 3.9Å; P438-W520 HydrophobicContact CG-CG 4.14Å; P438-W520 HydrophobicContact CG-CH2 4.31Å; P438-W520 HydrophobicContact CG-CZ2 4.1Å; P438-W520 HydrophobicContact CG-CZ3 4.2Å; W445-W520 HydrophobicContact CH2-CB 3.75Å; W445-W520 HydrophobicContact CZ3-CB 4.29Å; P518-W520 VanDerWaalsContact C-N 3.33Å; W520-A555 HydrophobicContact CE3-CB 4.31Å; W520-I556 WeakPolarHBondContact CA-O 3.27Å; W520-D557 HydrophobicContact CD2-CB 4.23Å; W520-D557 HydrophobicContact CE3-CB 3.73Å; W520-D557 HydrophobicContact CH2-CB 4.06Å; W520-D557 HydrophobicContact CZ3-CB 3.64Å
521	V	97.4	Very high	95.5	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	139.9	169.8	168.6	0	0	0	0	108.7	F430 Q431 A493 L496 L497 P518 F553 I556	F430-V521 HydrophobicContact CD1-CG1 4.06Å; Q431-V521 CarbonylContact O-C 3.58Å; Q431-V521 VanDerWaalsContact O-CA 3.28Å; Q431-V521 WeakPolarHBondContact O-CA 3.08Å; A493-V521 HydrophobicContact CB-CG1 4.28Å; L496-V521 HydrophobicContact CB-CG1 4.42Å; L496-V521 HydrophobicContact CB-CG2 4.02Å; L496-V521 HydrophobicContact CD1-CG1 4.2Å; L497-V521 HydrophobicContact CD2-CB 4.14Å; L497-V521 HydrophobicContact CD2-CG2 3.81Å; L497-V521 HydrophobicContact CG-CB 3.98Å; L497-V521 HydrophobicContact CG-CG2 3.72Å; P518-V521 HydrophobicContact CB-CG2 4.44Å; P518-V521 HydrophobicContact CG-CG2 3.92Å; V521-F553 HydrophobicContact CG1-CE2 4.46Å; V521-F553 HydrophobicContact CG1-CZ 4.34Å; V521-I556 PolarHBondContact N-O 3.21Å; V521-I556 VanDerWaalsContact O-CG1 3.27Å; V521-I556 WeakPolarHBondContact O-CG1 3.48Å; V521-I556 PolarHBondContact O-N 3.29Å
522	R	96.8	Very high	95.5	Very high	58 Å²	58	56.3 Å²	56.3	22%	0.219	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	156	174.2	72.6	-178.2	-178.7	-160.9	-0.6	111.5	Q431 W445 E524 A555	Q431-R522 HydrophobicContact CB-CG 4.06Å; Q431-R522 PolarHBondContact N-O 3.38Å; Q431-R522 PolarHBondContact O-N 3.44Å; Q431-R522 VanDerWaalsContact OE1-CZ 3.3Å; W445-R522 HydrophobicContact CD2-CG 4.44Å; W445-R522 VanDerWaalsContact CD2-CZ 3.46Å; W445-R522 VanDerWaalsContact CE2-NH1 3.29Å; W445-R522 HydrophobicContact CE3-CG 3.81Å; W445-R522 VanDerWaalsContact CG-CZ 3.43Å; W445-R522 HydrophobicContact CH2-CB 4.17Å; W445-R522 HydrophobicContact CH2-CG 4.03Å; W445-R522 HydrophobicContact CZ3-CB 4Å; W445-R522 HydrophobicContact CZ3-CG 3.59Å; W445-R522 VanDerWaalsContact NE1-NH1 3.17Å; R522-E524 HydrophobicContact CG-CG 4.26Å; R522-E524 IonicContact CZ-OE1 3.62Å; R522-E524 IonicContact NE-OE1 3.21Å; R522-E524 PolarHBondContact NE-OE1 2.87Å; R522-A555 HydrophobicContact CB-CB 4.42Å
523	G	96.9	Very high	95.3	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	122	169.9	0	0	0	0	0	109.8	Y552 F553	G523-Y552 WeakPolarHBondContact O-CA 3.38Å; G523-Y552 WeakPolarHBondContact O-CB 3.2Å; G523-Y552 PolarHBondContact O-N 3.4Å; G523-F553 VanDerWaalsContact N-CE2 3.25Å; G523-F553 VanDerWaalsContact N-CZ 3.3Å; G523-F553 PolarHBondContact N-O 3Å; G523-F553 PolarHBondContact O-N 2.93Å
524	E	96.7	Very high	95.2	Very high	6 Å²	6	56.3 Å²	56.3	3%	0.028	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	135.6	176.6	-76.4	-67.7	170.1	0	0	110.9	V428 I429 R522 F526 R548	V428-E524 WeakPolarHBondContact CA-O 3.36Å; I429-E524 PolarHBondContact N-O 3.44Å; I429-E524 PolarHBondContact O-N 3.27Å; R522-E524 HydrophobicContact CG-CG 4.26Å; R522-E524 IonicContact CZ-OE1 3.62Å; R522-E524 IonicContact NE-OE1 3.21Å; R522-E524 PolarHBondContact NE-OE1 2.87Å; E524-F526 HydrophobicContact CB-CD2 4.19Å; E524-F526 HydrophobicContact CB-CE2 3.61Å; E524-R548 IonicContact OE1-CZ 2.93Å; E524-R548 IonicContact OE1-NE 3.93Å; E524-R548 IonicContact OE1-NH2 3.11Å; E524-R548 PolarHBondContact OE1-NH2 2.94Å; E524-R548 IonicContact OE2-CZ 2.8Å; E524-R548 VanDerWaalsContact OE2-CZ 3.23Å; E524-R548 IonicContact OE2-NE 2.66Å; E524-R548 PolarHBondContact OE2-NE 3.25Å; E524-R548 IonicContact OE2-NH2 2.69Å; E524-R548 PolarHBondContact OE2-NH2 2.99Å
525	H	95.9	Very high	95.4	Very high	36 Å²	36	53.8 Å²	53.8	17%	0.167	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	126.8	-177.1	-154.8	-141.5	0	0	0	110.7	E427 A479 I549 G550	E427-H525 WeakPolarHBondContact O-CA 3.31Å; E427-H525 PolarHBondContact O-CD2 3.17Å; A479-H525 PolarHBondContact O-NE2 3.14Å; A479-H525 VanDerWaalsContact O-NE2 3.08Å; H525-I549 HydrophobicContact CB-CB 4.44Å; H525-I549 PolarHBondContact O-N 3.25Å; H525-G550 WeakPolarHBondContact CA-O 3.14Å; H525-G550 VanDerWaalsContact CB-O 3.3Å; H525-G550 WeakPolarHBondContact CB-O 3.45Å; H525-G550 PolarHBondContact N-O 3.28Å; H525-G550 PolarHBondContact O-N 3.05Å
526	F	96.9	Very high	95.5	Very high	20 Å²	20	52.1 Å²	52.1	9%	0.088	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	140.1	-175.8	-75.6	-94	0	0	0	110.9	T426 E427 I429 E524 Y528 R546 K547 R548	T426-F526 CarbonylContact C-O 3.45Å; T426-F526 WeakPolarHBondContact CA-O 3.27Å; E427-F526 PolarHBondContact N-O 2.85Å; E427-F526 PolarHBondContact O-N 3.04Å; I429-F526 HydrophobicContact CB-CD2 4.12Å; I429-F526 HydrophobicContact CB-CE2 4.13Å; I429-F526 HydrophobicContact CG1-CD2 3.64Å; I429-F526 HydrophobicContact CG1-CE2 4.04Å; I429-F526 HydrophobicContact CG1-CG 4.48Å; E524-F526 HydrophobicContact CB-CD2 4.19Å; E524-F526 HydrophobicContact CB-CE2 3.61Å; F526-Y528 HydrophobicContact CB-CD2 3.93Å; F526-Y528 HydrophobicContact CB-CE2 3.53Å; F526-Y528 HydrophobicContact CG-CE2 4.32Å; F526-R546 HydrophobicContact CD1-CB 4.23Å; F526-R546 HydrophobicContact CD1-CG 4.07Å; F526-R546 HydrophobicContact CE1-CG 4.37Å; F526-K547 CarbonylContact C-O 3.47Å; F526-K547 WeakPolarHBondContact CA-O 3.3Å; F526-R548 HydrophobicContact CD1-CB 4.09Å; F526-R548 HydrophobicContact CE1-CB 3.83Å; F526-R548 HydrophobicContact CE1-CG 4.41Å; F526-R548 HydrophobicContact CZ-CB 4.4Å
527	R	97	Very high	95.6	Very high	88 Å²	88	48 Å²	48	33%	0.332	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	123.3	163.6	-171.8	178	-71	138	-11.3	108.1	E424 R425 R546 K547 I549	E424-R527 IonicContact OE1-CZ 3.39Å; E424-R527 IonicContact OE1-NE 3.21Å; E424-R527 PolarHBondContact OE1-NE 3.34Å; E424-R527 IonicContact OE1-NH1 2.75Å; E424-R527 IonicContact OE1-NH2 2.7Å; E424-R527 PolarHBondContact OE1-NH2 3.06Å; E424-R527 IonicContact OE2-CZ 3.49Å; E424-R527 IonicContact OE2-NE 3.36Å; E424-R527 PolarHBondContact OE2-NE 3.25Å; E424-R527 IonicContact OE2-NH2 3.53Å; E424-R527 PolarHBondContact OE2-NH2 3.01Å; R425-R527 CarbonylContact O-C 3.58Å; R425-R527 WeakPolarHBondContact O-CA 3.44Å; R527-R546 CarbonylContact O-C 3.59Å; R527-R546 WeakPolarHBondContact O-CA 3.01Å; R527-K547 PolarHBondContact N-O 3.39Å; R527-K547 PolarHBondContact O-N 3.43Å; R527-I549 HydrophobicContact CB-CD1 3.97Å; R527-I549 HydrophobicContact CB-CG1 4.06Å
528	Y	96.6	Very high	95.6	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	152.5	172.6	-81.3	-111.9	0	0	0	109.8	R425 E427 I429 P454 G455 F526 W544 L545 R546	R425-Y528 PolarHBondContact O-N 3.44Å; E427-Y528 HydrophobicContact CB-CD2 3.63Å; E427-Y528 HydrophobicContact CB-CE2 3.63Å; E427-Y528 HydrophobicContact CG-CD2 3.5Å; E427-Y528 VanDerWaalsContact CG-CD2 3.5Å; E427-Y528 HydrophobicContact CG-CE2 3.84Å; E427-Y528 HydrophobicContact CG-CG 4.02Å; I429-Y528 HydrophobicContact CD1-CE2 4.46Å; P454-Y528 HydrophobicContact CB-CD1 4.16Å; P454-Y528 HydrophobicContact CB-CE1 4.33Å; G455-Y528 VanDerWaalsContact O-CE1 3.27Å; G455-Y528 WeakPolarHBondContact O-CE1 3.5Å; G455-Y528 VanDerWaalsContact O-CZ 3.3Å; G455-Y528 PolarHBondContact O-OH 3.49Å; F526-Y528 HydrophobicContact CB-CD2 3.93Å; F526-Y528 HydrophobicContact CB-CE2 3.53Å; F526-Y528 HydrophobicContact CG-CE2 4.32Å; Y528-W544 HydrophobicContact CD1-CB 3.91Å; Y528-W544 HydrophobicContact CD1-CD2 4.04Å; Y528-W544 AromaticContact CD1-CE3 3.97Å; Y528-W544 HydrophobicContact CD1-CE3 3.97Å; Y528-W544 HydrophobicContact CD1-CG 4.04Å; Y528-W544 HydrophobicContact CE1-CB 4.29Å; Y528-W544 HydrophobicContact CE1-CG 4.48Å; Y528-L545 CarbonylContact C-O 3.06Å; Y528-L545 WeakPolarHBondContact CA-O 3.5Å; Y528-R546 HydrophobicContact CD1-CB 4.19Å; Y528-R546 HydrophobicContact CD2-CB 4.12Å; Y528-R546 HydrophobicContact CE1-CB 3.94Å; Y528-R546 HydrophobicContact CE2-CB 3.86Å; Y528-R546 HydrophobicContact CG-CB 4.26Å; Y528-R546 WeakPolarHBondContact OH-CD 3.48Å; Y528-R546 PolarHBondContact OH-NH1 3.2Å
529	K	96.4	Very high	95.5	Very high	105 Å²	105	50.2 Å²	50.2	46%	0.457	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	152.1	161.9	-66.2	-159.4	172.2	-160.8	0	109.2	E252 W544 L545	E252-K529 VanDerWaalsContact OE2-CA 3.28Å; E252-K529 WeakPolarHBondContact OE2-CA 3.35Å; K529-W544 CarbonylContact O-C 3.23Å; K529-W544 WeakPolarHBondContact O-CA 3.47Å; K529-L545 PolarHBondContact N-O 2.75Å; K529-L545 PolarHBondContact O-N 3.07Å
530	F	96.6	Very high	95.5	Very high	3 Å²	3	48.2 Å²	48.2	1%	0.013	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	144.3	166.3	-72.8	-45.2	0	0	0	109.9	Y251 E252 P257 Y262 H265 R266 P461 W544	Y251-F530 WeakPolarHBondContact O-CE2 3.28Å; E252-F530 HydrophobicContact CB-CD2 3.84Å; E252-F530 HydrophobicContact CB-CE2 3.9Å; E252-F530 HydrophobicContact CG-CD2 3.95Å; E252-F530 HydrophobicContact CG-CE2 4.29Å; E252-F530 HydrophobicContact CG-CG 4.35Å; E252-F530 PolarHBondContact OE2-N 2.88Å; P257-F530 HydrophobicContact CB-CZ 3.91Å; P257-F530 HydrophobicContact CG-CE1 4.46Å; P257-F530 HydrophobicContact CG-CZ 4.22Å; Y262-F530 HydrophobicContact CD2-CB 3.83Å; Y262-F530 AromaticContact CD2-CD1 3.65Å; Y262-F530 HydrophobicContact CD2-CD1 3.65Å; Y262-F530 HydrophobicContact CD2-CD2 4.48Å; Y262-F530 HydrophobicContact CD2-CE1 4.25Å; Y262-F530 AromaticContact CD2-CG 3.77Å; Y262-F530 HydrophobicContact CD2-CG 3.77Å; Y262-F530 HydrophobicContact CE2-CB 4.11Å; Y262-F530 HydrophobicContact CG-CD1 4.48Å; H265-F530 HydrophobicContact CB-CD2 3.98Å; H265-F530 HydrophobicContact CB-CE2 4.08Å; H265-F530 AromaticContact CD2-CD2 3.63Å; H265-F530 AromaticContact CG-CD2 3.94Å; R266-F530 PolarHBondContact NH2-O 3.39Å; P461-F530 HydrophobicContact CG-CE1 4.14Å; F530-W544 HydrophobicContact CD1-CD2 4.15Å; F530-W544 AromaticContact CD1-CE3 3.83Å; F530-W544 HydrophobicContact CD1-CE3 3.83Å; F530-W544 AromaticContact CD1-CH2 3.65Å; F530-W544 HydrophobicContact CD1-CH2 3.65Å; F530-W544 AromaticContact CD1-CZ2 3.96Å; F530-W544 HydrophobicContact CD1-CZ2 3.96Å; F530-W544 AromaticContact CD1-CZ3 3.57Å; F530-W544 HydrophobicContact CD1-CZ3 3.57Å; F530-W544 HydrophobicContact CE1-CE3 4.3Å; F530-W544 AromaticContact CE1-CH2 3.26Å; F530-W544 HydrophobicContact CE1-CH2 3.26Å; F530-W544 AromaticContact CE1-CZ2 3.49Å; F530-W544 HydrophobicContact CE1-CZ2 3.49Å; F530-W544 VanDerWaalsContact CE1-CZ2 3.49Å; F530-W544 AromaticContact CE1-CZ3 3.7Å; F530-W544 HydrophobicContact CE1-CZ3 3.7Å; F530-W544 HydrophobicContact CG-CZ3 4.28Å; F530-W544 AromaticContact CZ-CH2 3.98Å; F530-W544 HydrophobicContact CZ-CH2 3.98Å; F530-W544 HydrophobicContact CZ-CZ2 4.46Å; F530-W544 HydrophobicContact CZ-CZ3 4.5Å
531	S	96.3	Very high	95.4	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-66.6	168.7	163.2	64.4	0	0	0	0	110.5	Y262 R266 K542 W543	Y262-S531 VanDerWaalsContact CE2-O 3.26Å; Y262-S531 WeakPolarHBondContact CE2-O 3.15Å; Y262-S531 WeakPolarHBondContact CE2-OG 3.4Å; Y262-S531 PolarHBondContact OH-OG 3.41Å; R266-S531 PolarHBondContact NE-O 2.83Å; R266-S531 PolarHBondContact NH2-O 3.1Å; S531-K542 VanDerWaalsContact CB-O 3.29Å; S531-K542 WeakPolarHBondContact CB-O 3.48Å; S531-K542 PolarHBondContact OG-O 2.98Å; S531-W543 PolarHBondContact N-O 2.65Å; S531-W543 PolarHBondContact OG-O 3.03Å
532	Q	94.3	Very high	95.3	Very high	119 Å²	119	49.3 Å²	49.3	56%	0.556	30%	0.3	S	S	*	.	P	Polyproline II helix	trans	-100	131.2	175.5	-76.5	175.2	-18.6	0	0	109.7	G534 S535 A538	Q532-G534 PolarHBondContact O-N 3.47Å; Q532-S535 WeakPolarHBondContact O-CB 3.34Å; Q532-S535 PolarHBondContact O-N 3.23Å; Q532-S535 PolarHBondContact O-OG 3.48Å; Q532-A538 WeakPolarHBondContact O-CB 3.39Å
533	P	92.8	Very high	95.3	Very high	65 Å²	65	48.6 Å²	48.6	42%	0.422	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.4	134.7	168.1	-25.1	33.4	0	0	0	110.8	Y262 Y263 R266 S535	Y262-P533 HydrophobicContact CE1-CG 3.83Å; Y263-P533 HydrophobicContact CD1-CG 4.41Å; R266-P533 HydrophobicContact CG-CG 4.23Å; P533-S535 PolarHBondContact O-N 3.2Å
534	G	91.1	Very high	95.3	Very high	85 Å²	85	48.8 Å²	48.8	88%	0.876	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.6	-9.4	-175.4	0	0	0	0	0	115.8	Q532	Q532-G534 PolarHBondContact O-N 3.47Å
535	S	94.6	Very high	95.3	Very high	32 Å²	32	52.1 Å²	52.1	22%	0.224	32%	0.315	C	S	.	.	S	Bend	trans	-71.3	153.9	172.4	71.5	0	0	0	0	112.1	Q532 P533 S537 A538 A539	Q532-S535 WeakPolarHBondContact O-CB 3.34Å; Q532-S535 PolarHBondContact O-N 3.23Å; Q532-S535 PolarHBondContact O-OG 3.48Å; P533-S535 PolarHBondContact O-N 3.2Å; S535-S537 PolarHBondContact O-N 2.95Å; S535-S537 VanDerWaalsContact O-N 3.12Å; S535-A538 PolarHBondContact O-N 3.44Å; S535-A538 PolarHBondContact OG-N 2.91Å; S535-A539 PolarHBondContact O-N 3.18Å
536	A	95	Very high	95.4	Very high	75 Å²	75	54.7 Å²	54.7	62%	0.62	32%	0.323	S	S	*	.	H	α-helix	trans	-56	-30.1	176.7	0	0	0	0	0	113.5	Q540	A536-Q540 VanDerWaalsContact O-CG 3.28Å; A536-Q540 WeakPolarHBondContact O-CG 3.19Å; A536-Q540 PolarHBondContact O-N 3.07Å; A536-Q540 VanDerWaalsContact O-N 3.11Å
537	S	93.9	Very high	95.4	Very high	34 Å²	34	61 Å²	61	24%	0.238	35%	0.351	C	S	.	.	H	α-helix	trans	-71.6	-39.7	174.3	-70.2	0	0	0	0	112.6	S535 A539 Q540 G541 K542	S535-S537 PolarHBondContact O-N 2.95Å; S535-S537 VanDerWaalsContact O-N 3.12Å; S537-A539 VanDerWaalsContact C-N 3.35Å; S537-Q540 CarbonylContact O-C 3.58Å; S537-Q540 WeakPolarHBondContact O-CB 3.49Å; S537-Q540 PolarHBondContact O-N 3.47Å; S537-G541 PolarHBondContact O-N 2.69Å; S537-K542 VanDerWaalsContact O-CB 3.29Å; S537-K542 WeakPolarHBondContact O-CB 3.17Å; S537-K542 PolarHBondContact O-N 3.29Å
538	A	93.4	Very high	95.4	Very high	26 Å²	26	63.3 Å²	63.3	22%	0.215	36%	0.36	C	S	.	.	H	α-helix	trans	-69.5	-33.4	174.2	0	0	0	0	0	112	Q532 S535 Q540 G541	Q532-A538 WeakPolarHBondContact O-CB 3.39Å; S535-A538 PolarHBondContact O-N 3.44Å; S535-A538 PolarHBondContact OG-N 2.91Å; A538-Q540 VanDerWaalsContact C-N 3.26Å; A538-Q540 PolarHBondContact O-N 3.11Å; A538-G541 WeakPolarHBondContact O-CA 3.37Å; A538-G541 PolarHBondContact O-N 2.96Å
539	A	94.3	Very high	95.3	Very high	87 Å²	87	67.3 Å²	67.3	72%	0.719	38%	0.38	S	S	*	.	H	α-helix	trans	-64.4	-29.8	171.3	0	0	0	0	0	112.7	S535 S537 G541	S535-A539 PolarHBondContact O-N 3.18Å; S537-A539 VanDerWaalsContact C-N 3.35Å; A539-G541 PolarHBondContact O-N 3.21Å
540	Q	95.4	Very high	95.3	Very high	114 Å²	114	63.3 Å²	63.3	53%	0.533	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	8.2	168.5	-68.2	167.5	5.2	0	0	113.4	Y458 A536 S537 A538 K542	Y458-Q540 WeakPolarHBondContact CE1-O 3.47Å; A536-Q540 VanDerWaalsContact O-CG 3.28Å; A536-Q540 WeakPolarHBondContact O-CG 3.19Å; A536-Q540 PolarHBondContact O-N 3.07Å; A536-Q540 VanDerWaalsContact O-N 3.11Å; S537-Q540 CarbonylContact O-C 3.58Å; S537-Q540 WeakPolarHBondContact O-CB 3.49Å; S537-Q540 PolarHBondContact O-N 3.47Å; A538-Q540 VanDerWaalsContact C-N 3.26Å; A538-Q540 PolarHBondContact O-N 3.11Å; Q540-K542 VanDerWaalsContact C-N 3.31Å; Q540-K542 PolarHBondContact O-N 2.86Å
541	G	94.8	Very high	95.2	Very high	38 Å²	38	66.2 Å²	66.2	39%	0.392	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.7	5.9	179.9	0	0	0	0	0	115.6	S537 A538 A539 W543	S537-G541 PolarHBondContact O-N 2.69Å; A538-G541 WeakPolarHBondContact O-CA 3.37Å; A538-G541 PolarHBondContact O-N 2.96Å; A539-G541 PolarHBondContact O-N 3.21Å; G541-W543 PolarHBondContact O-N 3.31Å
542	K	96.6	Very high	95.1	Very high	45 Å²	45	67.3 Å²	67.3	20%	0.196	40%	0.398	C	S	.	.			trans	-76.2	122.7	178.3	-60.6	166.8	177	158.2	0	110	V457 Y458 S531 S537 Q540	V457-K542 HydrophobicContact CG2-CG 4.37Å; V457-K542 CarbonylContact O-C 3.59Å; V457-K542 WeakPolarHBondContact O-CA 3.45Å; Y458-K542 HydrophobicContact CD1-CG 3.68Å; Y458-K542 HydrophobicContact CE1-CD 4.18Å; Y458-K542 HydrophobicContact CE1-CG 3.33Å; Y458-K542 WeakPolarHBondContact OH-CE 3.27Å; S531-K542 VanDerWaalsContact CB-O 3.29Å; S531-K542 WeakPolarHBondContact CB-O 3.48Å; S531-K542 PolarHBondContact OG-O 2.98Å; S537-K542 VanDerWaalsContact O-CB 3.29Å; S537-K542 WeakPolarHBondContact O-CB 3.17Å; S537-K542 PolarHBondContact O-N 3.29Å; Q540-K542 VanDerWaalsContact C-N 3.31Å; Q540-K542 PolarHBondContact O-N 2.86Å
543	W	96.4	Very high	95.2	Very high	43 Å²	43	61.9 Å²	61.9	16%	0.163	37%	0.372	C	S	.	.	S	Bend	trans	-85	-24.6	171	-69.7	78.9	0	0	0	111.8	Y262 V457 Y458 R460 P461 S531 G541	Y262-W543 AromaticContact CD1-CE3 3.9Å; Y262-W543 HydrophobicContact CD1-CE3 3.9Å; Y262-W543 AromaticContact CD1-CZ3 3.57Å; Y262-W543 HydrophobicContact CD1-CZ3 3.57Å; Y262-W543 HydrophobicContact CD2-CE3 4.03Å; Y262-W543 HydrophobicContact CE1-CE3 4.18Å; Y262-W543 AromaticContact CE1-CZ3 3.99Å; Y262-W543 HydrophobicContact CE1-CZ3 3.99Å; Y262-W543 HydrophobicContact CE2-CE3 4.32Å; Y262-W543 AromaticContact CG-CE3 3.82Å; Y262-W543 HydrophobicContact CG-CE3 3.82Å; Y262-W543 AromaticContact CG-CZ3 3.88Å; Y262-W543 HydrophobicContact CG-CZ3 3.88Å; V457-W543 PolarHBondContact O-N 2.8Å; Y458-W543 VanDerWaalsContact O-CD1 3.32Å; R460-W543 HydrophobicContact CB-CD2 4.07Å; R460-W543 HydrophobicContact CB-CG 4.33Å; R460-W543 HydrophobicContact CB-CZ2 4.11Å; R460-W543 HydrophobicContact CG-CD2 4.01Å; R460-W543 HydrophobicContact CG-CE3 4.24Å; R460-W543 HydrophobicContact CG-CH2 3.89Å; R460-W543 HydrophobicContact CG-CZ2 3.61Å; R460-W543 HydrophobicContact CG-CZ3 4.18Å; P461-W543 HydrophobicContact CG-CE3 4.46Å; S531-W543 PolarHBondContact N-O 2.65Å; S531-W543 PolarHBondContact OG-O 3.03Å; G541-W543 PolarHBondContact O-N 3.31Å
544	W	96.9	Very high	95.3	Very high	4 Å²	4	62.4 Å²	62.4	2%	0.015	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	156.1	-178.6	-58.3	94.7	0	0	0	112.7	E252 P257 P454 V457 P461 Y528 K529 F530	E252-W544 HydrophobicContact CG-CZ3 4.43Å; P257-W544 HydrophobicContact CG-CH2 3.79Å; P257-W544 HydrophobicContact CG-CZ2 3.92Å; P454-W544 HydrophobicContact CB-CH2 4.37Å; P454-W544 HydrophobicContact CB-CZ2 4.01Å; P454-W544 HydrophobicContact CG-CH2 3.78Å; P454-W544 HydrophobicContact CG-CZ2 3.55Å; V457-W544 HydrophobicContact CB-CB 4.3Å; V457-W544 HydrophobicContact CG1-CB 4.26Å; V457-W544 PolarHBondContact O-N 3.31Å; V457-W544 VanDerWaalsContact O-N 3.15Å; P461-W544 HydrophobicContact CG-CZ2 4.11Å; Y528-W544 HydrophobicContact CD1-CB 3.91Å; Y528-W544 HydrophobicContact CD1-CD2 4.04Å; Y528-W544 AromaticContact CD1-CE3 3.97Å; Y528-W544 HydrophobicContact CD1-CE3 3.97Å; Y528-W544 HydrophobicContact CD1-CG 4.04Å; Y528-W544 HydrophobicContact CE1-CB 4.29Å; Y528-W544 HydrophobicContact CE1-CG 4.48Å; K529-W544 CarbonylContact O-C 3.23Å; K529-W544 WeakPolarHBondContact O-CA 3.47Å; F530-W544 HydrophobicContact CD1-CD2 4.15Å; F530-W544 AromaticContact CD1-CE3 3.83Å; F530-W544 HydrophobicContact CD1-CE3 3.83Å; F530-W544 AromaticContact CD1-CH2 3.65Å; F530-W544 HydrophobicContact CD1-CH2 3.65Å; F530-W544 AromaticContact CD1-CZ2 3.96Å; F530-W544 HydrophobicContact CD1-CZ2 3.96Å; F530-W544 AromaticContact CD1-CZ3 3.57Å; F530-W544 HydrophobicContact CD1-CZ3 3.57Å; F530-W544 HydrophobicContact CE1-CE3 4.3Å; F530-W544 AromaticContact CE1-CH2 3.26Å; F530-W544 HydrophobicContact CE1-CH2 3.26Å; F530-W544 AromaticContact CE1-CZ2 3.49Å; F530-W544 HydrophobicContact CE1-CZ2 3.49Å; F530-W544 VanDerWaalsContact CE1-CZ2 3.49Å; F530-W544 AromaticContact CE1-CZ3 3.7Å; F530-W544 HydrophobicContact CE1-CZ3 3.7Å; F530-W544 HydrophobicContact CG-CZ3 4.28Å; F530-W544 AromaticContact CZ-CH2 3.98Å; F530-W544 HydrophobicContact CZ-CH2 3.98Å; F530-W544 HydrophobicContact CZ-CZ2 4.46Å; F530-W544 HydrophobicContact CZ-CZ3 4.5Å
545	L	96.8	Very high	95.5	Very high	76 Å²	76	60 Å²	60	40%	0.398	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	128.2	164.2	-56.3	176.5	0	0	0	106.6	Y528 K529	Y528-L545 CarbonylContact C-O 3.06Å; Y528-L545 WeakPolarHBondContact CA-O 3.5Å; K529-L545 PolarHBondContact N-O 2.75Å; K529-L545 PolarHBondContact O-N 3.07Å
546	R	96.5	Very high	95.5	Very high	89 Å²	89	59.9 Å²	59.9	34%	0.336	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	140.9	177.4	75.2	-177.9	-175.2	171.6	5.6	111.9	E447 V457 F526 R527 Y528	E447-R546 IonicContact OE1-CZ 3.17Å; E447-R546 IonicContact OE1-NH1 3.63Å; E447-R546 PolarHBondContact OE1-NH1 2.92Å; E447-R546 IonicContact OE1-NH2 3.98Å; E447-R546 PolarHBondContact OE1-NH2 3.4Å; E447-R546 IonicContact OE2-CZ 2.79Å; E447-R546 IonicContact OE2-NH1 2.96Å; E447-R546 PolarHBondContact OE2-NH1 2.98Å; E447-R546 IonicContact OE2-NH2 3.23Å; E447-R546 PolarHBondContact OE2-NH2 2.82Å; V457-R546 HydrophobicContact CG1-CB 4.2Å; V457-R546 HydrophobicContact CG1-CG 3.78Å; F526-R546 HydrophobicContact CD1-CB 4.23Å; F526-R546 HydrophobicContact CD1-CG 4.07Å; F526-R546 HydrophobicContact CE1-CG 4.37Å; R527-R546 CarbonylContact O-C 3.59Å; R527-R546 WeakPolarHBondContact O-CA 3.01Å; Y528-R546 HydrophobicContact CD1-CB 4.19Å; Y528-R546 HydrophobicContact CD2-CB 4.12Å; Y528-R546 HydrophobicContact CE1-CB 3.94Å; Y528-R546 HydrophobicContact CE2-CB 3.86Å; Y528-R546 HydrophobicContact CG-CB 4.26Å; Y528-R546 WeakPolarHBondContact OH-CD 3.48Å; Y528-R546 PolarHBondContact OH-NH1 3.2Å
547	K	97.4	Very high	95.5	Very high	154 Å²	154	58.3 Å²	58.3	67%	0.67	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.2	128.6	171.4	-179.2	177.5	177.7	177.9	0	109.2	F526 R527	F526-K547 CarbonylContact C-O 3.47Å; F526-K547 WeakPolarHBondContact CA-O 3.3Å; R527-K547 PolarHBondContact N-O 3.39Å; R527-K547 PolarHBondContact O-N 3.43Å
548	R	96.9	Very high	95.3	Very high	136 Å²	136	57.8 Å²	57.8	51%	0.513	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	135.8	173.8	-171	-178.2	-178.2	-128.2	5.2	110.1	E524 F526	E524-R548 IonicContact OE1-CZ 2.93Å; E524-R548 IonicContact OE1-NE 3.93Å; E524-R548 IonicContact OE1-NH2 3.11Å; E524-R548 PolarHBondContact OE1-NH2 2.94Å; E524-R548 IonicContact OE2-CZ 2.8Å; E524-R548 VanDerWaalsContact OE2-CZ 3.23Å; E524-R548 IonicContact OE2-NE 2.66Å; E524-R548 PolarHBondContact OE2-NE 3.25Å; E524-R548 IonicContact OE2-NH2 2.69Å; E524-R548 PolarHBondContact OE2-NH2 2.99Å; F526-R548 HydrophobicContact CD1-CB 4.09Å; F526-R548 HydrophobicContact CE1-CB 3.83Å; F526-R548 HydrophobicContact CE1-CG 4.41Å; F526-R548 HydrophobicContact CZ-CB 4.4Å
549	I	95.9	Very high	95.2	Very high	83 Å²	83	62 Å²	62	43%	0.426	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	-50.1	173.5	-55	169.8	0	0	0	108.8	T426 H525 R527	T426-I549 HydrophobicContact CG2-CD1 3.85Å; H525-I549 HydrophobicContact CB-CB 4.44Å; H525-I549 PolarHBondContact O-N 3.25Å; R527-I549 HydrophobicContact CB-CD1 3.97Å; R527-I549 HydrophobicContact CB-CG1 4.06Å
550	G	94.9	Very high	94.9	Very high	22 Å²	22	60.6 Å²	60.6	23%	0.227	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170.5	-173.8	-179.1	0	0	0	0	0	110.5	H525	H525-G550 WeakPolarHBondContact CA-O 3.14Å; H525-G550 VanDerWaalsContact CB-O 3.3Å; H525-G550 WeakPolarHBondContact CB-O 3.45Å; H525-G550 PolarHBondContact N-O 3.28Å; H525-G550 PolarHBondContact O-N 3.05Å
551	A	94.6	Very high	94.7	Very high	64 Å²	64	55.6 Å²	55.6	53%	0.529	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	141.1	171.4	0	0	0	0	0	110.6
552	Y	95.3	Very high	94.4	Very high	23 Å²	23	58 Å²	58	9%	0.09	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	-45.4	171.5	-177.8	-107.1	0	0	0	111.1	V428 A478 Q481 T482 Y483 V489 G523	V428-Y552 HydrophobicContact CB-CD1 4.27Å; V428-Y552 HydrophobicContact CB-CG 4.42Å; V428-Y552 HydrophobicContact CG1-CD1 3.57Å; V428-Y552 HydrophobicContact CG1-CE1 4.22Å; V428-Y552 HydrophobicContact CG1-CG 3.97Å; V428-Y552 HydrophobicContact CG2-CD1 3.61Å; V428-Y552 HydrophobicContact CG2-CD2 3.65Å; V428-Y552 HydrophobicContact CG2-CE1 3.81Å; V428-Y552 HydrophobicContact CG2-CE2 3.82Å; V428-Y552 HydrophobicContact CG2-CG 3.56Å; A478-Y552 PolarHBondContact O-OH 3.28Å; Q481-Y552 WeakPolarHBondContact O-CE2 3.44Å; T482-Y552 PolarHBondContact O-OH 3.09Å; Y483-Y552 WeakPolarHBondContact CD1-O 3.46Å; Y483-Y552 PolarHBondContact N-OH 2.82Å; V489-Y552 HydrophobicContact CG1-CE1 4.2Å; G523-Y552 WeakPolarHBondContact O-CA 3.38Å; G523-Y552 WeakPolarHBondContact O-CB 3.2Å; G523-Y552 PolarHBondContact O-N 3.4Å
553	F	95.1	Very high	93.9	Very high	4 Å²	4	58 Å²	58	2%	0.018	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	149.4	164.4	67	-104.5	0	0	0	109	F430 Y483 V489 I490 A493 V521 G523 I556	F430-F553 HydrophobicContact CD1-CE1 4.09Å; F430-F553 AromaticContact CD1-CZ 3.74Å; F430-F553 HydrophobicContact CD1-CZ 3.74Å; F430-F553 AromaticContact CE1-CE1 3.63Å; F430-F553 HydrophobicContact CE1-CE1 3.63Å; F430-F553 AromaticContact CE1-CZ 3.56Å; F430-F553 HydrophobicContact CE1-CZ 3.56Å; F430-F553 HydrophobicContact CZ-CE1 4.25Å; Y483-F553 HydrophobicContact CD1-CB 3.68Å; Y483-F553 HydrophobicContact CE1-CB 4.06Å; Y483-F553 HydrophobicContact CG-CB 3.96Å; V489-F553 HydrophobicContact CG1-CD1 4.08Å; V489-F553 HydrophobicContact CG1-CE1 3.8Å; I490-F553 HydrophobicContact CD1-CD1 4.4Å; I490-F553 HydrophobicContact CD1-CG 4.33Å; A493-F553 HydrophobicContact CB-CE2 4.23Å; A493-F553 HydrophobicContact CB-CZ 3.96Å; V521-F553 HydrophobicContact CG1-CE2 4.46Å; V521-F553 HydrophobicContact CG1-CZ 4.34Å; G523-F553 VanDerWaalsContact N-CE2 3.25Å; G523-F553 VanDerWaalsContact N-CZ 3.3Å; G523-F553 PolarHBondContact N-O 3Å; G523-F553 PolarHBondContact O-N 2.93Å; F553-I556 HydrophobicContact CD2-CD1 3.82Å; F553-I556 HydrophobicContact CD2-CG1 4.1Å; F553-I556 HydrophobicContact CE2-CD1 3.62Å; F553-I556 HydrophobicContact CE2-CG1 3.84Å
554	P	94.7	Very high	93.4	Very high	77 Å²	77	58.9 Å²	58.9	50%	0.5	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	173.2	-174.3	28	-36.4	0	0	0	112.8	I556	P554-I556 HydrophobicContact CG-CG2 4.41Å; P554-I556 PolarHBondContact O-N 3.05Å
555	A	96.1	Very high	92.9	Very high	33 Å²	33	58.7 Å²	58.7	27%	0.273	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	124.7	166.2	0	0	0	0	0	109.9	P438 W445 W520 R522	P438-A555 HydrophobicContact CB-CB 3.5Å; P438-A555 VanDerWaalsContact CB-CB 3.5Å; P438-A555 HydrophobicContact CG-CB 4.01Å; W445-A555 HydrophobicContact CH2-CB 3.84Å; W445-A555 HydrophobicContact CZ2-CB 4.3Å; W520-A555 HydrophobicContact CE3-CB 4.31Å; R522-A555 HydrophobicContact CB-CB 4.42Å
556	I	95.3	Very high	92.3	Very high	31 Å²	31	61.1 Å²	61.1	16%	0.159	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	147	179.5	50.9	174.5	0	0	0	110	I490 A493 W520 V521 F553 P554 L561	I490-I556 HydrophobicContact CD1-CD1 4.39Å; A493-I556 HydrophobicContact CB-CD1 3.71Å; W520-I556 WeakPolarHBondContact CA-O 3.27Å; V521-I556 PolarHBondContact N-O 3.21Å; V521-I556 VanDerWaalsContact O-CG1 3.27Å; V521-I556 WeakPolarHBondContact O-CG1 3.48Å; V521-I556 PolarHBondContact O-N 3.29Å; F553-I556 HydrophobicContact CD2-CD1 3.82Å; F553-I556 HydrophobicContact CD2-CG1 4.1Å; F553-I556 HydrophobicContact CE2-CD1 3.62Å; F553-I556 HydrophobicContact CE2-CG1 3.84Å; P554-I556 HydrophobicContact CG-CG2 4.41Å; P554-I556 PolarHBondContact O-N 3.05Å; I556-L561 HydrophobicContact CD1-CD1 4.23Å; I556-L561 HydrophobicContact CD1-CD2 4.16Å
557	D	94.3	Very high	91.7	Very high	41 Å²	41	60.3 Å²	60.3	22%	0.219	34%	0.337	C	S	.	.			trans	-114.1	175.6	-179.6	71.4	-62	0	0	0	111.3	W520 E559 G560 L561	W520-D557 HydrophobicContact CD2-CB 4.23Å; W520-D557 HydrophobicContact CE3-CB 3.73Å; W520-D557 HydrophobicContact CH2-CB 4.06Å; W520-D557 HydrophobicContact CZ3-CB 3.64Å; D557-E559 WeakPolarHBondContact OD2-CA 3.47Å; D557-E559 WeakPolarHBondContact OD2-CB 3.5Å; D557-E559 PolarHBondContact OD2-N 3.37Å; D557-G560 WeakPolarHBondContact OD1-CA 3.23Å; D557-G560 PolarHBondContact OD1-N 2.92Å; D557-G560 PolarHBondContact OD2-N 2.71Å; D557-L561 VanDerWaalsContact O-CG 3.31Å; D557-L561 WeakPolarHBondContact O-CG 3.48Å
558	L	90.7	Very high	90.8	Very high	24 Å²	24	57.8 Å²	57.8	13%	0.126	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-17.9	-176.2	-166	56.9	0	0	0	114	L497 A498 H572 P573 I575	L497-L558 HydrophobicContact CB-CB 4.3Å; L497-L558 HydrophobicContact CB-CD1 4.23Å; A498-L558 HydrophobicContact CB-CD2 4.2Å; L558-H572 PolarHBondContact O-CE1 2.82Å; L558-P573 HydrophobicContact CD1-CB 4.12Å; L558-P573 HydrophobicContact CD1-CG 4.33Å; L558-I575 HydrophobicContact CB-CG1 4.31Å; L558-I575 HydrophobicContact CD2-CG1 3.67Å; L558-I575 HydrophobicContact CG-CD1 4.34Å; L558-I575 HydrophobicContact CG-CG1 3.64Å
559	E	89.6	Confident	89.9	Confident	113 Å²	113	56.8 Å²	56.8	53%	0.528	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-42.8	174.7	175.4	150.8	-121.2	0	0	112	D557 L561 R562	D557-E559 WeakPolarHBondContact OD2-CA 3.47Å; D557-E559 WeakPolarHBondContact OD2-CB 3.5Å; D557-E559 PolarHBondContact OD2-N 3.37Å; E559-L561 PolarHBondContact O-N 3.33Å; E559-R562 WeakPolarHBondContact O-CB 3.41Å; E559-R562 PolarHBondContact O-N 2.92Å; E559-R562 IonicContact OE1-CZ 3.73Å; E559-R562 IonicContact OE1-NH1 3.35Å; E559-R562 PolarHBondContact OE1-NH1 3.15Å; E559-R562 IonicContact OE1-NH2 2.73Å; E559-R562 PolarHBondContact OE1-NH2 2.7Å
560	G	89.3	Confident	88.9	Confident	58 Å²	58	54.7 Å²	54.7	60%	0.598	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-31.6	173.5	0	0	0	0	0	113.5	D557 R562	D557-G560 WeakPolarHBondContact OD1-CA 3.23Å; D557-G560 PolarHBondContact OD1-N 2.92Å; D557-G560 PolarHBondContact OD2-N 2.71Å; G560-R562 VanDerWaalsContact C-N 3.32Å; G560-R562 PolarHBondContact O-N 2.99Å
561	L	90.4	Very high	87.7	Confident	10 Å²	10	55.8 Å²	55.8	5%	0.052	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-12.5	175.3	-72.7	175.9	0	0	0	115	I490 L497 I556 D557 E559 G563 Y564 F565	I490-L561 HydrophobicContact CG2-CD2 3.55Å; L497-L561 HydrophobicContact CD1-CD1 3.61Å; I556-L561 HydrophobicContact CD1-CD1 4.23Å; I556-L561 HydrophobicContact CD1-CD2 4.16Å; D557-L561 VanDerWaalsContact O-CG 3.31Å; D557-L561 WeakPolarHBondContact O-CG 3.48Å; E559-L561 PolarHBondContact O-N 3.33Å; L561-G563 PolarHBondContact O-N 3.05Å; L561-Y564 WeakPolarHBondContact O-CB 3.32Å; L561-Y564 PolarHBondContact O-N 3.12Å; L561-F565 HydrophobicContact CB-CD2 3.95Å; L561-F565 HydrophobicContact CB-CE2 3.95Å; L561-F565 HydrophobicContact CD1-CE2 4.04Å; L561-F565 HydrophobicContact CD2-CE2 4.29Å; L561-F565 HydrophobicContact CG-CE2 4.33Å; L561-F565 WeakPolarHBondContact O-CD2 3.37Å; L561-F565 PolarHBondContact O-N 2.96Å
562	R	88	Confident	86.7	Confident	87 Å²	87	55.3 Å²	55.3	33%	0.328	30%	0.304	S	S	.	.	H	α-helix	trans	-55.3	-48.3	-170.8	-176.2	-179.4	-62.5	145.2	5.8	113.3	E559 G560 Y564 Q566 H572 I575	E559-R562 WeakPolarHBondContact O-CB 3.41Å; E559-R562 PolarHBondContact O-N 2.92Å; E559-R562 IonicContact OE1-CZ 3.73Å; E559-R562 IonicContact OE1-NH1 3.35Å; E559-R562 PolarHBondContact OE1-NH1 3.15Å; E559-R562 IonicContact OE1-NH2 2.73Å; E559-R562 PolarHBondContact OE1-NH2 2.7Å; G560-R562 VanDerWaalsContact C-N 3.32Å; G560-R562 PolarHBondContact O-N 2.99Å; R562-Y564 PolarHBondContact O-N 2.73Å; R562-Q566 WeakPolarHBondContact O-CB 3.32Å; R562-Q566 VanDerWaalsContact O-CG 3.28Å; R562-Q566 WeakPolarHBondContact O-CG 3.25Å; R562-Q566 PolarHBondContact O-N 3.25Å; R562-Q566 VanDerWaalsContact O-N 3.11Å; R562-H572 VanDerWaalsContact CA-NE2 3.34Å; R562-H572 WeakPolarHBondContact CA-NE2 3.16Å; R562-H572 WeakPolarHBondContact CB-NE2 3.34Å; R562-H572 WeakPolarHBondContact CG-NE2 3.36Å; R562-I575 VanDerWaalsContact NH2-CD1 3.25Å
563	G	86.3	Confident	85.6	Confident	46 Å²	46	54.3 Å²	54.3	47%	0.474	30%	0.301	S	S	.	.	H	α-helix	trans	-66.3	-35.4	178.9	0	0	0	0	0	113.2	L561 S567	L561-G563 PolarHBondContact O-N 3.05Å; G563-S567 WeakPolarHBondContact O-CB 3.39Å; G563-S567 PolarHBondContact O-N 2.67Å
564	Y	86.6	Confident	84.2	Confident	62 Å²	62	62.3 Å²	62.3	24%	0.243	34%	0.338	C	S	.	.	H	α-helix	trans	-64.3	-49.9	177.4	-177	-93.5	0	0	0	111.1	E487 I490 L561 R562 Q566 S567 R568 W570	E487-Y564 WeakPolarHBondContact CB-OH 3.44Å; I490-Y564 HydrophobicContact CB-CE1 3.94Å; I490-Y564 HydrophobicContact CG2-CD1 3.85Å; I490-Y564 HydrophobicContact CG2-CE1 3.6Å; L561-Y564 WeakPolarHBondContact O-CB 3.32Å; L561-Y564 PolarHBondContact O-N 3.12Å; R562-Y564 PolarHBondContact O-N 2.73Å; Y564-Q566 PolarHBondContact O-N 2.71Å; Y564-S567 PolarHBondContact O-N 3.1Å; Y564-S567 PolarHBondContact O-OG 2.85Å; Y564-R568 PolarHBondContact O-N 2.71Å; Y564-W570 HydrophobicContact CE1-CE3 4.25Å; Y564-W570 AromaticContact CE1-CZ3 3.79Å; Y564-W570 HydrophobicContact CE1-CZ3 3.79Å
565	F	85.7	Confident	82.2	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-62.4	-43	179.1	-82.8	-115.5	0	0	0	112.1	Q491 L561 S567 R568 N569 W570 P573	Q491-F565 VanDerWaalsContact OE1-CZ 3.28Å; L561-F565 HydrophobicContact CB-CD2 3.95Å; L561-F565 HydrophobicContact CB-CE2 3.95Å; L561-F565 HydrophobicContact CD1-CE2 4.04Å; L561-F565 HydrophobicContact CD2-CE2 4.29Å; L561-F565 HydrophobicContact CG-CE2 4.33Å; L561-F565 WeakPolarHBondContact O-CD2 3.37Å; L561-F565 PolarHBondContact O-N 2.96Å; F565-S567 PolarHBondContact O-N 3.27Å; F565-R568 PolarHBondContact O-N 3Å; F565-N569 PolarHBondContact O-N 3.32Å; F565-W570 HydrophobicContact CD1-CB 4.04Å; F565-W570 PolarHBondContact O-N 3.17Å; F565-P573 HydrophobicContact CD1-CG 4.37Å; F565-P573 HydrophobicContact CE1-CG 3.67Å; F565-P573 HydrophobicContact CZ-CG 4.23Å
566	Q	85.1	Confident	79.6	Confident	127 Å²	127	64.9 Å²	64.9	59%	0.593	35%	0.348	S	S	*	.	H	α-helix	trans	-58.7	-46.7	174.1	-74.2	174.1	-8.8	0	0	111.8	R562 Y564 R568 N569	R562-Q566 WeakPolarHBondContact O-CB 3.32Å; R562-Q566 VanDerWaalsContact O-CG 3.28Å; R562-Q566 WeakPolarHBondContact O-CG 3.25Å; R562-Q566 PolarHBondContact O-N 3.25Å; R562-Q566 VanDerWaalsContact O-N 3.11Å; Y564-Q566 PolarHBondContact O-N 2.71Å; Q566-R568 PolarHBondContact O-N 3.43Å; Q566-R568 VanDerWaalsContact O-N 3.15Å; Q566-N569 PolarHBondContact O-N 3.39Å; Q566-N569 VanDerWaalsContact O-N 3.08Å
567	S	84.2	Confident	76.8	Confident	72 Å²	72	69.3 Å²	69.3	50%	0.503	38%	0.379	S	S	.	.	H	α-helix	trans	-57.9	-31.2	-179.7	79	0	0	0	0	113.5	G563 Y564 F565	G563-S567 WeakPolarHBondContact O-CB 3.39Å; G563-S567 PolarHBondContact O-N 2.67Å; Y564-S567 PolarHBondContact O-N 3.1Å; Y564-S567 PolarHBondContact O-OG 2.85Å; F565-S567 PolarHBondContact O-N 3.27Å
568	R	78.5	Confident	73.9	Confident	101 Å²	101	72.5 Å²	72.5	38%	0.381	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	4	-178.3	-54.5	-42.9	-174.9	103.4	4.3	114.1	E487 Y564 F565 Q566 W570	E487-R568 IonicContact OE1-CZ 2.77Å; E487-R568 IonicContact OE1-NH1 3.48Å; E487-R568 PolarHBondContact OE1-NH1 2.81Å; E487-R568 IonicContact OE1-NH2 3.78Å; E487-R568 PolarHBondContact OE1-NH2 2.93Å; E487-R568 IonicContact OE2-CZ 2.72Å; E487-R568 IonicContact OE2-NH1 3.62Å; E487-R568 PolarHBondContact OE2-NH1 3.44Å; E487-R568 IonicContact OE2-NH2 3.85Å; Y564-R568 PolarHBondContact O-N 2.71Å; F565-R568 PolarHBondContact O-N 3Å; Q566-R568 PolarHBondContact O-N 3.43Å; Q566-R568 VanDerWaalsContact O-N 3.15Å; R568-W570 HydrophobicContact CB-CD2 3.77Å; R568-W570 HydrophobicContact CB-CE3 4.32Å; R568-W570 HydrophobicContact CB-CG 3.85Å; R568-W570 HydrophobicContact CB-CZ2 4.47Å; R568-W570 PolarHBondContact O-N 2.83Å
569	N	76.4	Confident	71.3	Confident	115 Å²	115	83.3 Å²	83.3	62%	0.615	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	34.3	-171.8	-61.4	-104.8	0	0	0	111.9	N98 F565 Q566	N98-N569 PolarHBondContact ND2-O 3.01Å; F565-N569 PolarHBondContact O-N 3.32Å; Q566-N569 PolarHBondContact O-N 3.39Å; Q566-N569 VanDerWaalsContact O-N 3.08Å
570	W	75.4	Confident	68.5	Low	39 Å²	39	86.6 Å²	86.6	15%	0.148	48%	0.479	C	S	.	.	P	Polyproline II helix	trans	-87.6	137.5	177	-70.7	-4.3	0	0	0	109.6	E487 Q491 Y564 F565 R568 H572	E487-W570 HydrophobicContact CB-CH2 3.89Å; Q491-W570 HydrophobicContact CB-CE3 3.98Å; Q491-W570 HydrophobicContact CB-CH2 4.28Å; Q491-W570 HydrophobicContact CB-CZ3 3.65Å; Q491-W570 HydrophobicContact CG-CE3 4.35Å; Q491-W570 HydrophobicContact CG-CZ3 4.44Å; Y564-W570 HydrophobicContact CE1-CE3 4.25Å; Y564-W570 AromaticContact CE1-CZ3 3.79Å; Y564-W570 HydrophobicContact CE1-CZ3 3.79Å; F565-W570 HydrophobicContact CD1-CB 4.04Å; F565-W570 PolarHBondContact O-N 3.17Å; R568-W570 HydrophobicContact CB-CD2 3.77Å; R568-W570 HydrophobicContact CB-CE3 4.32Å; R568-W570 HydrophobicContact CB-CG 3.85Å; R568-W570 HydrophobicContact CB-CZ2 4.47Å; R568-W570 PolarHBondContact O-N 2.83Å; W570-H572 PolarHBondContact O-N 3.16Å; W570-H572 VanDerWaalsContact O-N 3.11Å
571	P	69.1	Low	67.5	Low	45 Å²	45	88.1 Å²	88.1	29%	0.292	47%	0.473	S	S	.	.	P	Polyproline II helix	trans	-61.4	118.8	178.3	25.7	-33.7	0	0	0	109.1	P573	P571-P573 WeakPolarHBondContact O-CD 3.31Å
572	H	74.8	Confident	66.2	Low	53 Å²	53	92.2 Å²	92.2	25%	0.245	50%	0.495	C	S	.	.	P	Polyproline II helix	trans	-63.7	122	179.1	-162.8	-57	0	0	0	108.9	L558 R562 W570 H574	L558-H572 PolarHBondContact O-CE1 2.82Å; R562-H572 VanDerWaalsContact CA-NE2 3.34Å; R562-H572 WeakPolarHBondContact CA-NE2 3.16Å; R562-H572 WeakPolarHBondContact CB-NE2 3.34Å; R562-H572 WeakPolarHBondContact CG-NE2 3.36Å; W570-H572 PolarHBondContact O-N 3.16Å; W570-H572 VanDerWaalsContact O-N 3.11Å; H572-H574 PolarHBondContact O-N 3.1Å
573	P	71	Confident	65	Low	3 Å²	3	92.4 Å²	92.4	2%	0.019	50%	0.504	C	S	.	.	P	Polyproline II helix	trans	-59.7	131.3	173.5	-19.8	32.2	0	0	0	108	A498 L558 F565 P571 I575	A498-P573 HydrophobicContact CB-CB 3.35Å; L558-P573 HydrophobicContact CD1-CB 4.12Å; L558-P573 HydrophobicContact CD1-CG 4.33Å; F565-P573 HydrophobicContact CD1-CG 4.37Å; F565-P573 HydrophobicContact CE1-CG 3.67Å; F565-P573 HydrophobicContact CZ-CG 4.23Å; P571-P573 WeakPolarHBondContact O-CD 3.31Å; P573-I575 PolarHBondContact O-N 3.29Å
574	H	66.4	Low	63.8	Low	171 Å²	171	95.2 Å²	95.2	79%	0.792	51%	0.506	S	S	*	.			trans	-61.5	111.4	-165.6	-71	-75.2	0	0	0	111.9	H572 P576	H572-H574 PolarHBondContact O-N 3.1Å; H574-P576 WeakPolarHBondContact O-CD 3.4Å
575	I	53.3	Low	62.4	Low	59 Å²	59	97.3 Å²	97.3	30%	0.303	52%	0.523	S	S	.	.	P	Polyproline II helix	trans	-66.2	119	150.6	-58.2	170.4	0	0	0	104.8	L558 R562 P573	L558-I575 HydrophobicContact CB-CG1 4.31Å; L558-I575 HydrophobicContact CD2-CG1 3.67Å; L558-I575 HydrophobicContact CG-CD1 4.34Å; L558-I575 HydrophobicContact CG-CG1 3.64Å; R562-I575 VanDerWaalsContact NH2-CD1 3.25Å; P573-I575 PolarHBondContact O-N 3.29Å
576	P	41.8	Very low	60.8	Low	105 Å²	105	103.7 Å²	103.7	68%	0.682	56%	0.557	S	S	*	*	P	Polyproline II helix	trans	-59.5	125.5	170.6	25.8	-32.4	0	0	0	107.1	H574 S578	H574-P576 WeakPolarHBondContact O-CD 3.4Å; P576-S578 PolarHBondContact O-N 3.44Å; P576-S578 VanDerWaalsContact O-N 3.1Å
577	P	35.8	Very low	59.1	Low	125 Å²	125	102.1 Å²	102.1	81%	0.812	56%	0.555	S	S	*	*	P	Polyproline II helix	trans	-56.7	123.9	-171.8	22	-32.7	0	0	0	109.2	R579	P577-R579 PolarHBondContact O-N 2.93Å; P577-R579 VanDerWaalsContact O-N 3.16Å
578	S	33.9	Very low	57.1	Low	107 Å²	107	104.4 Å²	104.4	75%	0.748	56%	0.559	S	S	*	*	P	Polyproline II helix	trans	-53.7	122.1	179.8	50	0	0	0	0	109	P576 S580	P576-S578 PolarHBondContact O-N 3.44Å; P576-S578 VanDerWaalsContact O-N 3.1Å; S578-S580 PolarHBondContact O-N 3.16Å
579	R	34.6	Very low	55.4	Low	251 Å²	251	104.7 Å²	104.7	95%	0.947	57%	0.574	S	S	*	*			trans	-65.3	100.1	168.2	-73.3	-177	175.4	177.9	-1.6	107.8	P577	P577-R579 PolarHBondContact O-N 2.93Å; P577-R579 VanDerWaalsContact O-N 3.16Å
580	S	31.7	Very low	53.4	Low	183 Å²	183	103.7 Å²	103.7	100%	1.28	57%	0.57	S	S	*	*			trans	-66.7	0	164.8	57.3	0	0	0	0	110.5	S578	S578-S580 PolarHBondContact O-N 3.16Å

Retrieved 580 of 580 residues in 182.3 ms (Link to these results)

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