A0A096NWP4_PAPAN Loading...

Dipeptidyl peptidase 2

Plays an important role in the degradation of some oligopeptides.

AlphaFold DB , UniProt , Accession A0A096NWP4, Species PAPAN (Papio anubis, Olive baboon), Gene n/a, Length 492 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	M	40.3	Very low	33.1	Very low	252 Å²	252	140.5 Å²	140.5	100%	1.241	85%	0.853	S	S	*	*				0	98.4	0	-77.2	166.7	165.9	0	0	106.7
2	G	32.6	Very low	32.9	Very low	83 Å²	83	141 Å²	141	86%	0.856	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-88.6	140.6	-169.5	0	0	0	0	0	112.3
3	S	35.6	Very low	32.7	Very low	126 Å²	126	137.8 Å²	137.8	88%	0.881	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-94.9	122.5	170	42.5	0	0	0	0	109.5
4	A	35.9	Very low	32.8	Very low	85 Å²	85	139.2 Å²	139.2	70%	0.702	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-84.4	137.2	-178	0	0	0	0	0	111.7
5	A	32.6	Very low	32.5	Very low	99 Å²	99	134.8 Å²	134.8	82%	0.818	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-75.9	140.1	167.4	0	0	0	0	0	110.6
6	W	32.5	Very low	32.5	Very low	242 Å²	242	137.2 Å²	137.2	92%	0.917	84%	0.841	S	S	*	*			trans	-126.4	121.4	167.7	-81	76.5	0	0	0	109.7
7	A	29.8	Very low	32.5	Very low	85 Å²	85	143.6 Å²	143.6	70%	0.702	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-82.8	151.4	179.7	0	0	0	0	0	111.7
8	P	34.2	Very low	32.3	Very low	125 Å²	125	139.1 Å²	139.1	81%	0.812	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-88.6	131.5	162.4	29.1	-19.2	0	0	0	110.5	L10	P8-L10 PolarHBondContact O-N 3.12Å
9	V	30.9	Very low	32.4	Very low	130 Å²	130	140.8 Å²	140.8	79%	0.788	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-66.8	120.2	176.2	171.5	0	0	0	0	109.9
10	L	29.3	Very low	32.5	Very low	157 Å²	157	143.1 Å²	143.1	82%	0.822	84%	0.84	S	S	*	*			trans	-84.7	107	168.6	-130.3	99.5	0	0	0	108.5	P8 L12	P8-L10 PolarHBondContact O-N 3.12Å; L10-L12 PolarHBondContact O-N 3.11Å
11	L	30.2	Very low	32.7	Very low	161 Å²	161	142.8 Å²	142.8	84%	0.843	84%	0.84	S	S	*	*			trans	-79.2	105.1	169.9	-92.2	152.6	0	0	0	109.1	A13	L11-A13 PolarHBondContact O-N 3.15Å
12	L	31.1	Very low	32.5	Very low	147 Å²	147	133.7 Å²	133.7	77%	0.77	81%	0.811	S	S	*	*			trans	-70.1	101.8	165.8	-98.1	115.6	0	0	0	109.4	L10 L14	L10-L12 PolarHBondContact O-N 3.11Å; L12-L14 PolarHBondContact O-N 3.49Å
13	A	30.4	Very low	32.9	Very low	100 Å²	100	133.6 Å²	133.6	83%	0.826	80%	0.802	S	S	*	*			trans	-81.8	99.9	162.9	0	0	0	0	0	108.8	L11 G15	L11-A13 PolarHBondContact O-N 3.15Å; A13-G15 PolarHBondContact O-N 2.93Å; A13-G15 VanDerWaalsContact O-N 3.13Å
14	L	33.8	Very low	33.6	Very low	157 Å²	157	138.8 Å²	138.8	82%	0.822	80%	0.803	S	S	*	*			trans	-64	106.2	166	-84.7	151.1	0	0	0	108.6	L12 L16	L12-L14 PolarHBondContact O-N 3.49Å; L14-L16 PolarHBondContact O-N 3.04Å
15	G	27.9	Very low	34.7	Very low	73 Å²	73	139.7 Å²	139.7	75%	0.753	80%	0.804	S	S	*	*			trans	-65.7	101	171.4	0	0	0	0	0	110.6	A13 R17	A13-G15 PolarHBondContact O-N 2.93Å; A13-G15 VanDerWaalsContact O-N 3.13Å; G15-R17 PolarHBondContact O-N 3.16Å
16	L	32.2	Very low	36.4	Very low	173 Å²	173	136.7 Å²	136.7	91%	0.906	78%	0.779	S	S	*	*			trans	-62.6	103.7	160.6	-82.7	152.8	0	0	0	107.7	L14 G18	L14-L16 PolarHBondContact O-N 3.04Å; L16-G18 PolarHBondContact O-N 3.25Å
17	R	33.3	Very low	38.8	Very low	246 Å²	246	127.3 Å²	127.3	93%	0.928	75%	0.749	S	S	*	*			trans	-63.3	89.6	162.7	-77.7	-177.5	174.9	-175	-1.6	107.8	G15 L19	G15-R17 PolarHBondContact O-N 3.16Å; R17-L19 PolarHBondContact O-N 2.69Å
18	G	29.3	Very low	41.6	Very low	63 Å²	63	128.2 Å²	128.2	65%	0.649	74%	0.742	S	S	*	*			trans	-63.2	118.7	158.4	0	0	0	0	0	107.8	L16 Q20	L16-G18 PolarHBondContact O-N 3.25Å; G18-Q20 PolarHBondContact O-N 3.13Å
19	L	34.1	Very low	44.4	Very low	171 Å²	171	123.1 Å²	123.1	90%	0.895	71%	0.709	S	S	*	*			trans	-59.6	90.6	163.2	-82.4	147.1	0	0	0	107.4	R17 T21	R17-L19 PolarHBondContact O-N 2.69Å; L19-T21 VanDerWaalsContact C-N 3.33Å; L19-T21 PolarHBondContact O-N 3.43Å
20	Q	34.8	Very low	47.6	Very low	186 Å²	186	118.9 Å²	118.9	87%	0.869	69%	0.692	S	S	*	*			trans	-63.3	103.5	157.3	-81.5	176.5	-24.7	0	0	105.8	G18 G22	G18-Q20 PolarHBondContact O-N 3.13Å; Q20-G22 PolarHBondContact O-N 2.58Å
21	T	36.9	Very low	50.9	Low	137 Å²	137	113 Å²	113	84%	0.84	66%	0.659	S	S	*	*			trans	-57.6	94.3	157	46.3	0	0	0	0	106.2	L19 A23	L19-T21 VanDerWaalsContact C-N 3.33Å; L19-T21 PolarHBondContact O-N 3.43Å; T21-A23 PolarHBondContact O-N 3.14Å
22	G	34.5	Very low	54.1	Low	61 Å²	61	109.4 Å²	109.4	63%	0.629	64%	0.638	S	S	*	*			trans	-56.5	123.3	178.7	0	0	0	0	0	108.7	Q20 R24	Q20-G22 PolarHBondContact O-N 2.58Å; G22-R24 PolarHBondContact O-N 3.35Å
23	A	40.6	Very low	57.3	Low	82 Å²	82	105.5 Å²	105.5	68%	0.678	62%	0.616	S	S	*	*			trans	-52.2	113.2	162.8	0	0	0	0	0	106.7	T21 S25 P452	T21-A23 PolarHBondContact O-N 3.14Å; A23-S25 PolarHBondContact O-N 2.81Å; A23-P452 HydrophobicContact CB-CG 4.45Å
24	R	50.8	Low	60.6	Low	234 Å²	234	106.8 Å²	106.8	88%	0.883	60%	0.6	S	S	*	*			trans	-70.4	100.7	171	-81.8	-177.3	176	175.8	-2	105.9	G22	G22-R24 PolarHBondContact O-N 3.35Å
25	S	58.8	Low	63.7	Low	105 Å²	105	103.8 Å²	103.8	73%	0.734	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-55.1	138.2	163.9	54.9	0	0	0	0	108.6	A23	A23-S25 PolarHBondContact O-N 2.81Å
26	A	69	Low	67.1	Low	36 Å²	36	102.2 Å²	102.2	30%	0.298	55%	0.553	S	S	.	*	P	Polyproline II helix	trans	-47.7	136.6	173	0	0	0	0	0	110.1	D28 E93 A449	A26-D28 PolarHBondContact O-N 2.9Å; A26-E93 HydrophobicContact CB-CG 4.23Å; A26-E93 WeakPolarHBondContact CB-OE1 3.29Å; A26-A449 HydrophobicContact CB-CB 3.81Å
27	P	82.1	Confident	70.2	Confident	44 Å²	44	99.3 Å²	99.3	29%	0.286	54%	0.535	S	S	.	.	P	Polyproline II helix	trans	-65.6	122.8	-176.7	28.2	-33.3	0	0	0	109	P29 F63 A96	P27-P29 WeakPolarHBondContact O-CD 2.95Å; P27-F63 HydrophobicContact CB-CE1 4.07Å; P27-F63 HydrophobicContact CB-CZ 3.74Å; P27-F63 HydrophobicContact CG-CZ 4.04Å; P27-A96 HydrophobicContact CG-CB 4Å
28	D	90.3	Very high	73.4	Confident	105 Å²	105	87.6 Å²	87.6	56%	0.561	49%	0.49	S	S	*	.	P	Polyproline II helix	trans	-59.3	117.2	177.2	169.7	19.8	0	0	0	109.9	A26 G30 R62	A26-D28 PolarHBondContact O-N 2.9Å; D28-G30 VanDerWaalsContact C-N 3.27Å; D28-G30 PolarHBondContact O-N 3.2Å; D28-G30 PolarHBondContact OD1-N 2.78Å; D28-R62 WeakPolarHBondContact O-CD 3.34Å; D28-R62 PolarHBondContact O-NE 2.73Å; D28-R62 PolarHBondContact O-NH1 3.35Å; D28-R62 IonicContact OD2-NH1 3.84Å
29	P	92.7	Very high	76.7	Confident	18 Å²	18	91 Å²	91	12%	0.117	48%	0.483	C	S	.	.			trans	-69.5	-22.4	-179.6	-23.3	37.5	0	0	0	113.4	P27 F31 S60 F63 A92 L102	P27-P29 WeakPolarHBondContact O-CD 2.95Å; P29-F31 HydrophobicContact CB-CD1 4.44Å; P29-F31 HydrophobicContact CB-CD2 3.89Å; P29-F31 HydrophobicContact CB-CE1 4.23Å; P29-F31 HydrophobicContact CB-CE2 3.65Å; P29-F31 HydrophobicContact CB-CG 4.27Å; P29-F31 HydrophobicContact CB-CZ 3.82Å; P29-F31 HydrophobicContact CG-CD2 4.18Å; P29-F31 HydrophobicContact CG-CE2 3.62Å; P29-F31 HydrophobicContact CG-CZ 4.01Å; P29-S60 VanDerWaalsContact O-CB 3.3Å; P29-S60 WeakPolarHBondContact O-CB 3.47Å; P29-S60 PolarHBondContact O-OG 3.2Å; P29-F63 HydrophobicContact CB-CE2 4.32Å; P29-A92 HydrophobicContact CG-CB 3.65Å; P29-L102 HydrophobicContact CB-CD1 3.89Å; P29-L102 HydrophobicContact CG-CD1 4.15Å
30	G	96.7	Very high	79.8	Confident	40 Å²	40	83.1 Å²	83.1	41%	0.412	44%	0.442	S	S	.	.			trans	60.8	48.6	-173.4	0	0	0	0	0	112.5	D28	D28-G30 VanDerWaalsContact C-N 3.27Å; D28-G30 PolarHBondContact O-N 3.2Å; D28-G30 PolarHBondContact OD1-N 2.78Å
31	F	98.5	Very high	82.8	Confident	33 Å²	33	75.4 Å²	75.4	15%	0.145	41%	0.407	C	S	.	.	P	Polyproline II helix	trans	-56.3	136.4	-176.4	-78.6	-63.9	0	0	0	113.1	P29 L58 W82 A85 L102 F104	P29-F31 HydrophobicContact CB-CD1 4.44Å; P29-F31 HydrophobicContact CB-CD2 3.89Å; P29-F31 HydrophobicContact CB-CE1 4.23Å; P29-F31 HydrophobicContact CB-CE2 3.65Å; P29-F31 HydrophobicContact CB-CG 4.27Å; P29-F31 HydrophobicContact CB-CZ 3.82Å; P29-F31 HydrophobicContact CG-CD2 4.18Å; P29-F31 HydrophobicContact CG-CE2 3.62Å; P29-F31 HydrophobicContact CG-CZ 4.01Å; F31-L58 HydrophobicContact CB-CB 4.22Å; F31-L58 HydrophobicContact CD1-CB 3.81Å; F31-L58 HydrophobicContact CE1-CB 4.44Å; F31-L58 HydrophobicContact CG-CB 4.11Å; F31-W82 HydrophobicContact CB-CH2 3.64Å; F31-W82 HydrophobicContact CB-CZ3 3.87Å; F31-W82 HydrophobicContact CD2-CZ3 4.32Å; F31-A85 HydrophobicContact CD2-CB 4.25Å; F31-A85 HydrophobicContact CE2-CB 3.92Å; F31-L102 HydrophobicContact CE1-CB 3.84Å; F31-L102 HydrophobicContact CZ-CB 4.25Å; F31-L102 HydrophobicContact CZ-CD1 4.32Å; F31-F104 AromaticContact CE1-CD2 3.84Å; F31-F104 HydrophobicContact CE1-CD2 3.84Å; F31-F104 HydrophobicContact CE1-CE2 4.22Å; F31-F104 HydrophobicContact CE2-CE2 4.45Å; F31-F104 AromaticContact CZ-CD2 3.61Å; F31-F104 HydrophobicContact CZ-CD2 3.61Å; F31-F104 AromaticContact CZ-CE2 3.58Å; F31-F104 HydrophobicContact CZ-CE2 3.58Å
32	Q	98.6	Very high	85.8	Confident	86 Å²	86	70.3 Å²	70.3	40%	0.402	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	124.7	169.3	-59.8	179.1	19.2	0	0	109.5	L58 V59	Q32-L58 WeakPolarHBondContact O-CA 3.39Å; Q32-V59 HydrophobicContact CB-CG1 4.28Å; Q32-V59 PolarHBondContact N-O 3.47Å; Q32-V59 PolarHBondContact O-N 3.31Å
33	E	98.8	Very high	88.8	Confident	65 Å²	65	72.9 Å²	72.9	30%	0.304	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	127.9	170.8	-175.1	169.9	113.2	0	0	109.5	F35 R56 L58 W82 K112	E33-F35 HydrophobicContact CG-CE2 4.16Å; E33-F35 HydrophobicContact CG-CZ 4.5Å; E33-R56 VanDerWaalsContact CD-CD 3.49Å; E33-R56 HydrophobicContact CG-CG 4.05Å; E33-R56 WeakPolarHBondContact OE2-CD 3.46Å; E33-R56 IonicContact OE2-NH1 3.61Å; E33-R56 PolarHBondContact OE2-NH1 3.49Å; E33-R56 VanDerWaalsContact OE2-NH1 3.12Å; E33-L58 HydrophobicContact CB-CD2 4.07Å; E33-L58 HydrophobicContact CG-CD2 4.23Å; E33-W82 HydrophobicContact CB-CZ2 4.4Å; E33-W82 PolarHBondContact OE2-NE1 2.81Å; E33-K112 IonicContact OE1-NZ 3.77Å; E33-K112 PolarHBondContact OE1-NZ 3.28Å; E33-K112 IonicContact OE2-NZ 3.7Å
34	R	98.8	Very high	91.6	Very high	128 Å²	128	72.2 Å²	72.2	48%	0.483	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	165.6	179.4	-62.9	-63.1	-173.8	122.6	1.3	110	R56 F57 V59	R34-R56 WeakPolarHBondContact O-CA 3.45Å; R34-F57 HydrophobicContact CB-CD1 4.03Å; R34-F57 HydrophobicContact CB-CD2 4.23Å; R34-F57 HydrophobicContact CB-CE1 3.51Å; R34-F57 HydrophobicContact CB-CE2 3.74Å; R34-F57 HydrophobicContact CB-CG 4.37Å; R34-F57 HydrophobicContact CB-CZ 3.36Å; R34-F57 HydrophobicContact CG-CE2 4.2Å; R34-F57 HydrophobicContact CG-CZ 4.07Å; R34-F57 PolarHBondContact N-O 2.89Å; R34-F57 PolarHBondContact O-N 2.68Å; R34-F57 VanDerWaalsContact O-O 3.1Å; R34-V59 HydrophobicContact CG-CG1 3.8Å
35	F	98.9	Very high	93.9	Very high	94 Å²	94	70 Å²	70	41%	0.412	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	137	175.7	-66.8	-92.6	0	0	0	110.4	E33 P54 Q55 R56 K112	E33-F35 HydrophobicContact CG-CE2 4.16Å; E33-F35 HydrophobicContact CG-CZ 4.5Å; F35-P54 HydrophobicContact CB-CB 4.22Å; F35-P54 HydrophobicContact CD1-CB 3.89Å; F35-P54 HydrophobicContact CG-CB 4.37Å; F35-Q55 CarbonylContact C-O 3.01Å; F35-Q55 VanDerWaalsContact CA-O 3.28Å; F35-Q55 WeakPolarHBondContact CA-O 3.37Å; F35-R56 HydrophobicContact CD1-CB 3.97Å; F35-R56 HydrophobicContact CE1-CB 3.63Å; F35-R56 HydrophobicContact CE1-CG 4.09Å; F35-R56 HydrophobicContact CZ-CB 4.25Å; F35-R56 HydrophobicContact CZ-CG 4.21Å; F35-K112 HydrophobicContact CE1-CB 4.31Å; F35-K112 HydrophobicContact CZ-CD 4.33Å
36	F	98.9	Very high	95.7	Very high	40 Å²	40	73.2 Å²	73.2	18%	0.175	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	136.5	172.8	176	-111.9	0	0	0	109.4	Q38 P54 Q55 F57 L141 A144	F36-Q38 HydrophobicContact CD1-CB 4.05Å; F36-Q38 HydrophobicContact CE1-CB 4.36Å; F36-Q38 PolarHBondContact O-N 2.91Å; F36-P54 WeakPolarHBondContact O-CA 3.43Å; F36-Q55 PolarHBondContact N-O 3.05Å; F36-Q55 PolarHBondContact O-N 2.97Å; F36-F57 HydrophobicContact CB-CD1 4.24Å; F36-F57 HydrophobicContact CB-CE1 4.03Å; F36-L141 HydrophobicContact CB-CD1 3.67Å; F36-L141 HydrophobicContact CD1-CB 4.41Å; F36-L141 HydrophobicContact CD1-CD1 4.03Å; F36-L141 HydrophobicContact CD2-CD1 4.24Å; F36-L141 HydrophobicContact CG-CD1 3.71Å; F36-A144 HydrophobicContact CD2-CB 4.16Å; F36-A144 HydrophobicContact CE2-CB 3.46Å; F36-A144 VanDerWaalsContact CE2-CB 3.46Å; F36-A144 HydrophobicContact CZ-CB 3.87Å
37	Q	98.9	Very high	97.1	Very high	112 Å²	112	78.8 Å²	78.8	52%	0.523	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	94.8	173.6	-70.1	-61.6	-33.4	0	0	109	T52	Q37-T52 PolarHBondContact OE1-OG1 3.23Å
38	Q	98.9	Very high	97.9	Very high	0 Å²	0	78.1 Å²	78.1	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	145	-175	-175.5	57.3	-90.3	0	0	110.7	F36 H42 T52 F53 Q55 D137 E140	F36-Q38 HydrophobicContact CD1-CB 4.05Å; F36-Q38 HydrophobicContact CE1-CB 4.36Å; F36-Q38 PolarHBondContact O-N 2.91Å; Q38-H42 PolarHBondContact OE1-CE1 3.3Å; Q38-H42 PolarHBondContact OE1-NE2 3.24Å; Q38-T52 CarbonylContact O-C 3.54Å; Q38-T52 WeakPolarHBondContact O-CA 3.32Å; Q38-T52 WeakPolarHBondContact O-CB 3.47Å; Q38-F53 HydrophobicContact CB-CD1 4.03Å; Q38-F53 HydrophobicContact CB-CE1 3.65Å; Q38-F53 HydrophobicContact CB-CZ 4.02Å; Q38-F53 HydrophobicContact CG-CD1 4.36Å; Q38-F53 HydrophobicContact CG-CE1 3.57Å; Q38-F53 HydrophobicContact CG-CZ 3.96Å; Q38-F53 PolarHBondContact N-O 3.26Å; Q38-F53 WeakPolarHBondContact O-CD1 3.3Å; Q38-F53 PolarHBondContact O-N 3.19Å; Q38-Q55 HydrophobicContact CB-CB 3.8Å; Q38-Q55 HydrophobicContact CG-CB 4.41Å; Q38-D137 HydrophobicContact CG-CB 4.08Å; Q38-D137 WeakPolarHBondContact CG-OD1 3.28Å; Q38-D137 PolarHBondContact NE2-O 3.42Å; Q38-E140 PolarHBondContact OE1-OE2 2.84Å
39	R	98.8	Very high	98.3	Very high	133 Å²	133	75.1 Å²	75.1	50%	0.502	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	138.4	174.8	-68.9	176.5	172.3	168.1	-9	110.7	R108 E140	R39-R108 PolarHBondContact O-NH2 3.2Å; R39-E140 IonicContact CZ-OE1 3.41Å; R39-E140 IonicContact NE-OE1 3.69Å; R39-E140 IonicContact NE-OE2 3.83Å; R39-E140 IonicContact NH1-OE1 2.73Å; R39-E140 PolarHBondContact NH1-OE1 3.39Å
40	L	98.8	Very high	98.5	Very high	6 Å²	6	81.4 Å²	81.4	3%	0.031	39%	0.386	C	S	.	.	S	Bend	trans	-61.4	-53	174.1	-78.1	179.1	0	0	0	110.7	F48 Q51 F53 R108 P115 F116 L128	L40-F48 HydrophobicContact CB-CB 4.07Å; L40-F48 HydrophobicContact CB-CG 4.38Å; L40-F48 HydrophobicContact CD1-CB 4.11Å; L40-F48 HydrophobicContact CD1-CD1 4.02Å; L40-F48 HydrophobicContact CD1-CG 4.27Å; L40-Q51 HydrophobicContact CD1-CB 3.61Å; L40-Q51 HydrophobicContact CG-CB 4.33Å; L40-Q51 PolarHBondContact N-O 3.16Å; L40-F53 HydrophobicContact CD2-CB 3.83Å; L40-F53 HydrophobicContact CD2-CD1 3.83Å; L40-F53 HydrophobicContact CD2-CG 4.13Å; L40-R108 PolarHBondContact O-NH1 2.94Å; L40-R108 PolarHBondContact O-NH2 3.45Å; L40-P115 HydrophobicContact CD2-CB 3.62Å; L40-F116 HydrophobicContact CD1-CE1 4.42Å; L40-F116 HydrophobicContact CD2-CE1 4.46Å; L40-L128 HydrophobicContact CB-CD1 3.98Å; L40-L128 HydrophobicContact CD2-CD1 4.41Å; L40-L128 WeakPolarHBondContact O-CD1 3.34Å
41	D	98.9	Very high	98.6	Very high	24 Å²	24	85 Å²	85	13%	0.128	39%	0.392	C	S	.	.			trans	-128.4	114.9	-174.2	-165.2	-20.2	0	0	0	111.1	F43 N44 F48 L128 Q133	D41-F43 PolarHBondContact OD1-N 3.02Å; D41-N44 PolarHBondContact OD1-N 2.81Å; D41-N44 VanDerWaalsContact OD2-CB 3.29Å; D41-N44 WeakPolarHBondContact OD2-CB 3.41Å; D41-F48 HydrophobicContact CB-CB 4.5Å; D41-F48 HydrophobicContact CB-CD2 4.01Å; D41-L128 HydrophobicContact CB-CD2 3.84Å; D41-L128 WeakPolarHBondContact OD2-CD2 3.27Å; D41-Q133 PolarHBondContact OD1-NE2 3.25Å
42	H	98.8	Very high	98.6	Very high	30 Å²	30	86.7 Å²	86.7	14%	0.139	41%	0.405	C	S	.	.	S	Bend	trans	-82.9	-15.9	177.9	-66.3	-75.3	0	0	0	113.5	Q38 R108 Q133 A136 D137 E140	Q38-H42 PolarHBondContact OE1-CE1 3.3Å; Q38-H42 PolarHBondContact OE1-NE2 3.24Å; H42-R108 PolarHBondContact CD2-NH2 3.49Å; H42-Q133 PolarHBondContact CD2-OE1 2.99Å; H42-Q133 VanDerWaalsContact CD2-OE1 3.26Å; H42-A136 HydrophobicContact CB-CB 3.79Å; H42-A136 VanDerWaalsContact CD2-CB 3.45Å; H42-A136 WeakPolarHBondContact CD2-CB 3.39Å; H42-A136 VanDerWaalsContact CG-CB 3.48Å; H42-D137 IonicContact CD2-OD1 3.69Å; H42-D137 PolarHBondContact CD2-OD1 3.29Å; H42-D137 IonicContact CE1-OD1 3.72Å; H42-D137 IonicContact NE2-OD1 3.82Å; H42-D137 PolarHBondContact NE2-OD1 2.89Å; H42-E140 VanDerWaalsContact CE1-CD 3.45Å; H42-E140 IonicContact CE1-OE1 3.9Å; H42-E140 IonicContact CE1-OE2 2.78Å; H42-E140 IonicContact ND1-OE1 3.62Å
43	F	98.8	Very high	98.7	Very high	116 Å²	116	82.8 Å²	82.8	51%	0.509	39%	0.386	S	S	.	.	S	Bend	trans	-117.7	-4.1	-168.3	-58	-74.2	0	0	0	113.5	D41 E132 Q133 A136	D41-F43 PolarHBondContact OD1-N 3.02Å; F43-E132 HydrophobicContact CE2-CB 3.71Å; F43-E132 HydrophobicContact CZ-CB 3.73Å; F43-Q133 HydrophobicContact CD2-CG 3.99Å; F43-Q133 HydrophobicContact CE2-CG 4.09Å; F43-A136 HydrophobicContact CE2-CB 4.28Å; F43-A136 HydrophobicContact CZ-CB 4.12Å
44	N	98.7	Very high	98.7	Very high	68 Å²	68	82.3 Å²	82.3	36%	0.364	39%	0.389	S	S	.	.			trans	-135.8	120.2	170.8	-168.2	-49	0	0	0	111.7	D41 E46 R47	D41-N44 PolarHBondContact OD1-N 2.81Å; D41-N44 VanDerWaalsContact OD2-CB 3.29Å; D41-N44 WeakPolarHBondContact OD2-CB 3.41Å; N44-E46 PolarHBondContact O-N 3.05Å; N44-E46 PolarHBondContact OD1-N 3Å; N44-R47 PolarHBondContact OD1-N 2.83Å; N44-R47 VanDerWaalsContact OD1-N 3.12Å
45	F	98.3	Very high	98.7	Very high	186 Å²	186	76.2 Å²	76.2	82%	0.816	37%	0.366	S	S	*	.	S	Bend	trans	-78.5	-15.3	-175.7	-76.2	-103.1	0	0	0	114.5
46	E	98.6	Very high	98.7	Very high	173 Å²	173	71.9 Å²	71.9	81%	0.808	35%	0.347	S	S	*	.	S	Bend	trans	-108.3	-46.6	-168.1	-67.6	178.9	-163.2	0	0	112.5	N44 F48 G49	N44-E46 PolarHBondContact O-N 3.05Å; N44-E46 PolarHBondContact OD1-N 3Å; E46-F48 VanDerWaalsContact C-N 3.26Å; E46-F48 PolarHBondContact O-N 3.28Å; E46-F48 VanDerWaalsContact O-N 3.15Å; E46-G49 PolarHBondContact O-N 3.07Å; E46-G49 VanDerWaalsContact O-N 3.11Å
47	R	98.2	Very high	98.7	Very high	154 Å²	154	70.9 Å²	70.9	58%	0.581	34%	0.343	S	S	*	.	S	Bend	trans	-56.8	-39.5	-168.1	-172.8	173.3	179.1	114.1	-11	113.5	N44 E127	N44-R47 PolarHBondContact OD1-N 2.83Å; N44-R47 VanDerWaalsContact OD1-N 3.12Å; R47-E127 VanDerWaalsContact CD-OE2 3.28Å; R47-E127 WeakPolarHBondContact CD-OE2 3.34Å; R47-E127 IonicContact CZ-OE1 3.45Å; R47-E127 IonicContact CZ-OE2 3.08Å; R47-E127 IonicContact NE-OE1 3.43Å; R47-E127 PolarHBondContact NE-OE1 2.95Å; R47-E127 IonicContact NE-OE2 2.58Å; R47-E127 PolarHBondContact NE-OE2 3.26Å; R47-E127 IonicContact NH2-OE1 2.69Å; R47-E127 PolarHBondContact NH2-OE1 3.19Å; R47-E127 IonicContact NH2-OE2 3.13Å; R47-E127 PolarHBondContact NH2-OE2 3.07Å; R47-E127 VanDerWaalsContact NH2-OE2 3.13Å
48	F	98.4	Very high	98.7	Very high	29 Å²	29	65.6 Å²	65.6	13%	0.127	32%	0.318	C	S	.	.	S	Bend	trans	-117.6	6.7	176.4	-63.2	-77.7	0	0	0	112.7	L40 D41 E46 N50 Q51 F116 E127 L128	L40-F48 HydrophobicContact CB-CB 4.07Å; L40-F48 HydrophobicContact CB-CG 4.38Å; L40-F48 HydrophobicContact CD1-CB 4.11Å; L40-F48 HydrophobicContact CD1-CD1 4.02Å; L40-F48 HydrophobicContact CD1-CG 4.27Å; D41-F48 HydrophobicContact CB-CB 4.5Å; D41-F48 HydrophobicContact CB-CD2 4.01Å; E46-F48 VanDerWaalsContact C-N 3.26Å; E46-F48 PolarHBondContact O-N 3.28Å; E46-F48 VanDerWaalsContact O-N 3.15Å; F48-N50 PolarHBondContact O-N 3.28Å; F48-Q51 VanDerWaalsContact O-CB 3.27Å; F48-Q51 WeakPolarHBondContact O-CB 3.04Å; F48-Q51 VanDerWaalsContact O-CG 3.3Å; F48-Q51 WeakPolarHBondContact O-CG 3.36Å; F48-Q51 PolarHBondContact O-N 3.44Å; F48-Q51 VanDerWaalsContact O-N 3.14Å; F48-Q51 PolarHBondContact O-NE2 3.49Å; F48-F116 HydrophobicContact CD1-CE1 4.22Å; F48-F116 HydrophobicContact CD1-CZ 4.37Å; F48-F116 AromaticContact CE1-CE1 3.62Å; F48-F116 HydrophobicContact CE1-CE1 3.62Å; F48-F116 AromaticContact CE1-CZ 3.59Å; F48-F116 HydrophobicContact CE1-CZ 3.59Å; F48-F116 HydrophobicContact CZ-CE1 4.21Å; F48-F116 AromaticContact CZ-CZ 3.7Å; F48-F116 HydrophobicContact CZ-CZ 3.7Å; F48-E127 WeakPolarHBondContact CE2-OE2 3.47Å; F48-L128 HydrophobicContact CD2-CD1 3.92Å; F48-L128 HydrophobicContact CD2-CD2 4.02Å; F48-L128 HydrophobicContact CD2-CG 4.43Å; F48-L128 HydrophobicContact CE2-CD1 3.75Å; F48-L128 HydrophobicContact CE2-CD2 3.7Å; F48-L128 HydrophobicContact CE2-CG 3.94Å; F48-L128 HydrophobicContact CG-CD1 4.43Å; F48-L128 HydrophobicContact CZ-CD1 4.13Å; F48-L128 HydrophobicContact CZ-CG 4.46Å
49	G	98	Very high	98.7	Very high	42 Å²	42	66.5 Å²	66.5	43%	0.433	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.5	-128.3	-177	0	0	0	0	0	112.3	E46	E46-G49 PolarHBondContact O-N 3.07Å; E46-G49 VanDerWaalsContact O-N 3.11Å
50	N	98	Very high	98.7	Very high	150 Å²	150	60.4 Å²	60.4	80%	0.802	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.2	18.2	177.3	68.5	-17.4	0	0	0	113.4	F48	F48-N50 PolarHBondContact O-N 3.28Å
51	Q	98.6	Very high	98.6	Very high	117 Å²	117	63.3 Å²	63.3	55%	0.547	32%	0.317	S	S	.	.			trans	-66.5	149.7	-176.4	-70.2	177	68.4	0	0	111.9	L40 F48	L40-Q51 HydrophobicContact CD1-CB 3.61Å; L40-Q51 HydrophobicContact CG-CB 4.33Å; L40-Q51 PolarHBondContact N-O 3.16Å; F48-Q51 VanDerWaalsContact O-CB 3.27Å; F48-Q51 WeakPolarHBondContact O-CB 3.04Å; F48-Q51 VanDerWaalsContact O-CG 3.3Å; F48-Q51 WeakPolarHBondContact O-CG 3.36Å; F48-Q51 PolarHBondContact O-N 3.44Å; F48-Q51 VanDerWaalsContact O-N 3.14Å; F48-Q51 PolarHBondContact O-NE2 3.49Å
52	T	98.9	Very high	98.6	Very high	67 Å²	67	69.3 Å²	69.3	41%	0.411	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	164.1	-178.3	62.1	0	0	0	0	112	Q37 Q38	Q37-T52 PolarHBondContact OE1-OG1 3.23Å; Q38-T52 CarbonylContact O-C 3.54Å; Q38-T52 WeakPolarHBondContact O-CA 3.32Å; Q38-T52 WeakPolarHBondContact O-CB 3.47Å
53	F	98.9	Very high	98.6	Very high	4 Å²	4	69.6 Å²	69.6	2%	0.018	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	155.9	169.6	78.7	-77.4	0	0	0	110.8	Q38 L40 Q55 R108 P115	Q38-F53 HydrophobicContact CB-CD1 4.03Å; Q38-F53 HydrophobicContact CB-CE1 3.65Å; Q38-F53 HydrophobicContact CB-CZ 4.02Å; Q38-F53 HydrophobicContact CG-CD1 4.36Å; Q38-F53 HydrophobicContact CG-CE1 3.57Å; Q38-F53 HydrophobicContact CG-CZ 3.96Å; Q38-F53 PolarHBondContact N-O 3.26Å; Q38-F53 WeakPolarHBondContact O-CD1 3.3Å; Q38-F53 PolarHBondContact O-N 3.19Å; L40-F53 HydrophobicContact CD2-CB 3.83Å; L40-F53 HydrophobicContact CD2-CD1 3.83Å; L40-F53 HydrophobicContact CD2-CG 4.13Å; F53-Q55 HydrophobicContact CE2-CB 4.09Å; F53-Q55 HydrophobicContact CZ-CB 4.23Å; F53-Q55 PolarHBondContact O-N 3.42Å; F53-R108 HydrophobicContact CE2-CB 4.38Å; F53-R108 HydrophobicContact CZ-CB 3.86Å; F53-P115 HydrophobicContact CD1-CB 4.44Å; F53-P115 HydrophobicContact CD1-CG 4.35Å; F53-P115 HydrophobicContact CD2-CB 4.46Å; F53-P115 HydrophobicContact CD2-CG 4.08Å; F53-P115 HydrophobicContact CE1-CG 4.27Å; F53-P115 HydrophobicContact CE2-CG 4.01Å; F53-P115 HydrophobicContact CG-CB 4.26Å; F53-P115 HydrophobicContact CG-CG 4.25Å; F53-P115 HydrophobicContact CZ-CG 4.12Å
54	P	98.9	Very high	98.5	Very high	56 Å²	56	65.1 Å²	65.1	36%	0.364	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	106.1	177.3	30.9	-33	0	0	0	110.9	F35 F36	F35-P54 HydrophobicContact CB-CB 4.22Å; F35-P54 HydrophobicContact CD1-CB 3.89Å; F35-P54 HydrophobicContact CG-CB 4.37Å; F36-P54 WeakPolarHBondContact O-CA 3.43Å
55	Q	98.9	Very high	98.5	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	122.7	168.9	-176.4	-176.4	18.5	0	0	109.7	F35 F36 Q38 F53 E106	F35-Q55 CarbonylContact C-O 3.01Å; F35-Q55 VanDerWaalsContact CA-O 3.28Å; F35-Q55 WeakPolarHBondContact CA-O 3.37Å; F36-Q55 PolarHBondContact N-O 3.05Å; F36-Q55 PolarHBondContact O-N 2.97Å; Q38-Q55 HydrophobicContact CB-CB 3.8Å; Q38-Q55 HydrophobicContact CG-CB 4.41Å; F53-Q55 HydrophobicContact CE2-CB 4.09Å; F53-Q55 HydrophobicContact CZ-CB 4.23Å; F53-Q55 PolarHBondContact O-N 3.42Å; Q55-E106 PolarHBondContact NE2-O 3.24Å
56	R	98.9	Very high	98.3	Very high	3 Å²	3	64.5 Å²	64.5	1%	0.011	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	141.7	176.2	-176	162.8	59.2	161.8	-1.5	110.6	E33 R34 F35 D80 V81 E106 K112 S113	E33-R56 VanDerWaalsContact CD-CD 3.49Å; E33-R56 HydrophobicContact CG-CG 4.05Å; E33-R56 WeakPolarHBondContact OE2-CD 3.46Å; E33-R56 IonicContact OE2-NH1 3.61Å; E33-R56 PolarHBondContact OE2-NH1 3.49Å; E33-R56 VanDerWaalsContact OE2-NH1 3.12Å; R34-R56 WeakPolarHBondContact O-CA 3.45Å; F35-R56 HydrophobicContact CD1-CB 3.97Å; F35-R56 HydrophobicContact CE1-CB 3.63Å; F35-R56 HydrophobicContact CE1-CG 4.09Å; F35-R56 HydrophobicContact CZ-CB 4.25Å; F35-R56 HydrophobicContact CZ-CG 4.21Å; R56-D80 IonicContact CZ-OD1 2.72Å; R56-D80 IonicContact CZ-OD2 2.68Å; R56-D80 IonicContact NH1-OD1 3.95Å; R56-D80 IonicContact NH1-OD2 2.9Å; R56-D80 IonicContact NH2-OD1 3.69Å; R56-D80 PolarHBondContact NH2-OD1 2.72Å; R56-D80 VanDerWaalsContact NH2-OD1 3.13Å; R56-D80 IonicContact NH2-OD2 3.49Å; R56-D80 PolarHBondContact NH2-OD2 3.49Å; R56-V81 HydrophobicContact CG-CG1 4.31Å; R56-E106 HydrophobicContact CB-CB 4.05Å; R56-E106 WeakPolarHBondContact CB-OE2 3.33Å; R56-E106 IonicContact CZ-OE1 3.83Å; R56-E106 IonicContact CZ-OE2 2.7Å; R56-E106 VanDerWaalsContact NE-CD 3.33Å; R56-E106 IonicContact NE-OE1 3.44Å; R56-E106 PolarHBondContact NE-OE1 2.68Å; R56-E106 VanDerWaalsContact NE-OE1 3.08Å; R56-E106 IonicContact NE-OE2 2.7Å; R56-E106 PolarHBondContact NE-OE2 3.08Å; R56-E106 IonicContact NH2-OE1 2.69Å; R56-E106 PolarHBondContact NH2-OE1 3.21Å; R56-E106 IonicContact NH2-OE2 3.96Å; R56-E106 PolarHBondContact NH2-OE2 3.01Å; R56-E106 WeakPolarHBondContact O-CB 3.32Å; R56-E106 PolarHBondContact O-N 3.15Å; R56-K112 VanDerWaalsContact NH1-CE 3.35Å; R56-S113 WeakPolarHBondContact CB-OG 3.41Å; R56-S113 PolarHBondContact N-OG 3.13Å
57	F	98.9	Very high	98	Very high	19 Å²	19	60.1 Å²	60.1	8%	0.083	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	152.6	164.1	69.5	-82	0	0	0	110.1	R34 F36 V59 V103 F104 A105 L141 L145	R34-F57 HydrophobicContact CB-CD1 4.03Å; R34-F57 HydrophobicContact CB-CD2 4.23Å; R34-F57 HydrophobicContact CB-CE1 3.51Å; R34-F57 HydrophobicContact CB-CE2 3.74Å; R34-F57 HydrophobicContact CB-CG 4.37Å; R34-F57 HydrophobicContact CB-CZ 3.36Å; R34-F57 HydrophobicContact CG-CE2 4.2Å; R34-F57 HydrophobicContact CG-CZ 4.07Å; R34-F57 PolarHBondContact N-O 2.89Å; R34-F57 PolarHBondContact O-N 2.68Å; R34-F57 VanDerWaalsContact O-O 3.1Å; F36-F57 HydrophobicContact CB-CD1 4.24Å; F36-F57 HydrophobicContact CB-CE1 4.03Å; F57-V59 HydrophobicContact CD2-CB 4.16Å; F57-V59 HydrophobicContact CE2-CB 3.93Å; F57-V59 HydrophobicContact CE2-CG1 3.99Å; F57-V103 HydrophobicContact CD2-CG1 4.2Å; F57-F104 CarbonylContact C-O 3.48Å; F57-F104 VanDerWaalsContact CA-O 3.23Å; F57-F104 WeakPolarHBondContact CA-O 3.26Å; F57-F104 WeakPolarHBondContact CB-O 3.22Å; F57-A105 HydrophobicContact CB-CB 4.48Å; F57-L141 HydrophobicContact CB-CD2 4.07Å; F57-L141 HydrophobicContact CD1-CD1 4.11Å; F57-L141 HydrophobicContact CD1-CD2 4.42Å; F57-L141 HydrophobicContact CE1-CD1 4.17Å; F57-L141 HydrophobicContact CG-CD2 4.25Å; F57-L145 HydrophobicContact CE2-CD2 3.93Å; F57-L145 HydrophobicContact CZ-CD2 4.15Å
58	L	98.9	Very high	97.9	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	137	172.6	-47.4	-178.2	0	0	0	108.4	F31 Q32 E33 V81 W82 A85 V103 F104	F31-L58 HydrophobicContact CB-CB 4.22Å; F31-L58 HydrophobicContact CD1-CB 3.81Å; F31-L58 HydrophobicContact CE1-CB 4.44Å; F31-L58 HydrophobicContact CG-CB 4.11Å; Q32-L58 WeakPolarHBondContact O-CA 3.39Å; E33-L58 HydrophobicContact CB-CD2 4.07Å; E33-L58 HydrophobicContact CG-CD2 4.23Å; L58-V81 HydrophobicContact CD1-CG1 4.06Å; L58-V81 HydrophobicContact CD1-CG2 4.4Å; L58-V81 HydrophobicContact CD2-CG1 4.15Å; L58-V81 HydrophobicContact CG-CG1 3.88Å; L58-V81 HydrophobicContact CG-CG2 4.33Å; L58-W82 HydrophobicContact CD1-CD2 3.58Å; L58-W82 HydrophobicContact CD1-CE3 3.68Å; L58-W82 HydrophobicContact CD1-CG 4.08Å; L58-W82 HydrophobicContact CD1-CH2 4.2Å; L58-W82 HydrophobicContact CD1-CZ2 4.1Å; L58-W82 HydrophobicContact CD1-CZ3 3.99Å; L58-W82 HydrophobicContact CD2-CD2 4.23Å; L58-W82 HydrophobicContact CD2-CH2 4.29Å; L58-W82 HydrophobicContact CD2-CZ2 3.58Å; L58-W82 HydrophobicContact CG-CZ2 4.46Å; L58-A85 HydrophobicContact CD1-CB 3.74Å; L58-V103 CarbonylContact O-C 3.48Å; L58-V103 VanDerWaalsContact O-CA 3.29Å; L58-V103 WeakPolarHBondContact O-CA 3.39Å; L58-F104 HydrophobicContact CB-CB 4.2Å; L58-F104 HydrophobicContact CG-CB 4.48Å; L58-F104 PolarHBondContact N-O 2.7Å; L58-F104 PolarHBondContact O-N 2.93Å
59	V	98.9	Very high	97.8	Very high	20 Å²	20	57.2 Å²	57.2	12%	0.121	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	139.8	177.5	62.3	0	0	0	0	111	Q32 R34 F57 L101 L102 V103	Q32-V59 HydrophobicContact CB-CG1 4.28Å; Q32-V59 PolarHBondContact N-O 3.47Å; Q32-V59 PolarHBondContact O-N 3.31Å; R34-V59 HydrophobicContact CG-CG1 3.8Å; F57-V59 HydrophobicContact CD2-CB 4.16Å; F57-V59 HydrophobicContact CE2-CB 3.93Å; F57-V59 HydrophobicContact CE2-CG1 3.99Å; V59-L101 HydrophobicContact CG2-CD1 3.91Å; V59-L101 HydrophobicContact CG2-CG 4.45Å; V59-L102 CarbonylContact C-O 2.99Å; V59-L102 VanDerWaalsContact CA-O 3.32Å; V59-L102 WeakPolarHBondContact CA-O 3.37Å; V59-V103 HydrophobicContact CG2-CG2 4.28Å
60	S	98.7	Very high	97.8	Very high	5 Å²	5	55.2 Å²	55.2	4%	0.035	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	123.3	168.1	171	0	0	0	0	109.9	P29 R62 L101 L102	P29-S60 VanDerWaalsContact O-CB 3.3Å; P29-S60 WeakPolarHBondContact O-CB 3.47Å; P29-S60 PolarHBondContact O-OG 3.2Å; S60-R62 WeakPolarHBondContact OG-CB 3.11Å; S60-R62 PolarHBondContact OG-N 2.98Å; S60-L101 WeakPolarHBondContact O-CD1 3.48Å; S60-L102 PolarHBondContact N-O 3.2Å; S60-L102 PolarHBondContact O-N 3.43Å
61	D	98.2	Very high	97.9	Very high	67 Å²	67	48.1 Å²	48.1	36%	0.358	25%	0.247	S	C	.	.			trans	-97.9	10.7	170.2	68.5	-19.1	0	0	0	112.7	F63 W64 R66 L101	D61-F63 PolarHBondContact O-N 2.89Å; D61-F63 VanDerWaalsContact O-N 3.11Å; D61-W64 HydrophobicContact CB-CB 4.19Å; D61-W64 HydrophobicContact CB-CE3 4.12Å; D61-W64 PolarHBondContact O-N 3.26Å; D61-R66 IonicContact OD2-CZ 3.83Å; D61-R66 IonicContact OD2-NH2 3.24Å; D61-R66 PolarHBondContact OD2-NH2 2.85Å; D61-L101 HydrophobicContact CB-CD1 3.84Å
62	R	97.9	Very high	97.9	Very high	150 Å²	150	42.6 Å²	42.6	57%	0.566	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-35.8	-175.4	-174.9	175.6	-178.5	155.4	2.5	113.3	D28 S60	D28-R62 WeakPolarHBondContact O-CD 3.34Å; D28-R62 PolarHBondContact O-NE 2.73Å; D28-R62 PolarHBondContact O-NH1 3.35Å; D28-R62 IonicContact OD2-NH1 3.84Å; S60-R62 WeakPolarHBondContact OG-CB 3.11Å; S60-R62 PolarHBondContact OG-N 2.98Å
63	F	97.9	Very high	97.9	Very high	36 Å²	36	39.4 Å²	39.4	16%	0.158	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.4	-5.8	-179.6	-47.3	-55.2	0	0	0	112.9	P27 P29 D61 I65 A95 A96 G99 L102	P27-F63 HydrophobicContact CB-CE1 4.07Å; P27-F63 HydrophobicContact CB-CZ 3.74Å; P27-F63 HydrophobicContact CG-CZ 4.04Å; P29-F63 HydrophobicContact CB-CE2 4.32Å; D61-F63 PolarHBondContact O-N 2.89Å; D61-F63 VanDerWaalsContact O-N 3.11Å; F63-I65 PolarHBondContact O-N 2.89Å; F63-A95 HydrophobicContact CD2-CB 4.14Å; F63-A96 HydrophobicContact CD1-CB 3.83Å; F63-A96 HydrophobicContact CD2-CB 4.29Å; F63-A96 HydrophobicContact CE1-CB 4.06Å; F63-A96 HydrophobicContact CE2-CB 4.5Å; F63-A96 HydrophobicContact CG-CB 3.97Å; F63-A96 HydrophobicContact CZ-CB 4.41Å; F63-G99 CarbonylContact O-C 3.49Å; F63-G99 WeakPolarHBondContact O-CA 3.01Å; F63-L102 HydrophobicContact CD2-CD1 3.83Å; F63-L102 HydrophobicContact CE2-CD1 3.86Å
64	W	98.5	Very high	97.9	Very high	22 Å²	22	39.4 Å²	39.4	8%	0.083	20%	0.202	C	C	.	.			trans	-77.1	119.6	-165.9	-175.7	40	0	0	0	112.3	D61 R66 G69 G99 L101 L149 A151	D61-W64 HydrophobicContact CB-CB 4.19Å; D61-W64 HydrophobicContact CB-CE3 4.12Å; D61-W64 PolarHBondContact O-N 3.26Å; W64-R66 HydrophobicContact CD2-CG 4.01Å; W64-R66 HydrophobicContact CE3-CG 3.59Å; W64-R66 HydrophobicContact CH2-CG 4.04Å; W64-R66 HydrophobicContact CZ2-CG 4.42Å; W64-R66 HydrophobicContact CZ3-CG 3.62Å; W64-R66 PolarHBondContact O-N 3.38Å; W64-G69 PolarHBondContact NE1-O 3.42Å; W64-G69 VanDerWaalsContact NE1-O 3.17Å; W64-G99 WeakPolarHBondContact CA-O 3.39Å; W64-L101 HydrophobicContact CB-CB 4.11Å; W64-L101 HydrophobicContact CB-CD1 4.31Å; W64-L101 VanDerWaalsContact CD1-N 3.3Å; W64-L101 HydrophobicContact CD2-CB 3.92Å; W64-L101 HydrophobicContact CD2-CD1 4.12Å; W64-L101 HydrophobicContact CE3-CD1 3.92Å; W64-L101 HydrophobicContact CG-CB 3.67Å; W64-L101 HydrophobicContact CG-CD1 4.29Å; W64-L149 HydrophobicContact CH2-CB 3.98Å; W64-L149 HydrophobicContact CZ3-CB 4.29Å; W64-L149 HydrophobicContact CZ3-CD1 4.41Å; W64-A151 HydrophobicContact CH2-CB 4.05Å; W64-A151 HydrophobicContact CZ2-CB 3.83Å
65	I	98	Very high	97.9	Very high	88 Å²	88	36.8 Å²	36.8	45%	0.451	19%	0.185	S	C	.	.			trans	-82.9	95.2	170.8	-55.6	173.9	0	0	0	108	F63 G67 E68 G69 G99	F63-I65 PolarHBondContact O-N 2.89Å; I65-G67 PolarHBondContact O-N 3.14Å; I65-E68 HydrophobicContact CB-CB 4.47Å; I65-E68 HydrophobicContact CG2-CB 3.93Å; I65-E68 HydrophobicContact CG2-CG 4.31Å; I65-E68 PolarHBondContact O-N 3.35Å; I65-G69 PolarHBondContact O-N 3.29Å; I65-G99 PolarHBondContact N-O 2.85Å
66	R	94.9	Very high	97.9	Very high	153 Å²	153	36.8 Å²	36.8	58%	0.577	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.4	132.5	-179.4	-65.7	-172.2	176.8	-134.8	0.5	111.6	D61 W64 E68	D61-R66 IonicContact OD2-CZ 3.83Å; D61-R66 IonicContact OD2-NH2 3.24Å; D61-R66 PolarHBondContact OD2-NH2 2.85Å; W64-R66 HydrophobicContact CD2-CG 4.01Å; W64-R66 HydrophobicContact CE3-CG 3.59Å; W64-R66 HydrophobicContact CH2-CG 4.04Å; W64-R66 HydrophobicContact CZ2-CG 4.42Å; W64-R66 HydrophobicContact CZ3-CG 3.62Å; W64-R66 PolarHBondContact O-N 3.38Å; R66-E68 VanDerWaalsContact C-N 3.26Å; R66-E68 PolarHBondContact O-N 2.95Å
67	G	92.1	Very high	97.9	Very high	80 Å²	80	36.8 Å²	36.8	83%	0.825	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.1	-11.9	-178.6	0	0	0	0	0	115.1	I65	I65-G67 PolarHBondContact O-N 3.14Å
68	E	94.4	Very high	97.9	Very high	121 Å²	121	38.4 Å²	38.4	57%	0.565	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-124.1	-55.8	177.6	-61.9	-176.5	-159.7	0	0	111.4	I65 R66 R477	I65-E68 HydrophobicContact CB-CB 4.47Å; I65-E68 HydrophobicContact CG2-CB 3.93Å; I65-E68 HydrophobicContact CG2-CG 4.31Å; I65-E68 PolarHBondContact O-N 3.35Å; R66-E68 VanDerWaalsContact C-N 3.26Å; R66-E68 PolarHBondContact O-N 2.95Å; E68-R477 PolarHBondContact O-NE 2.65Å; E68-R477 PolarHBondContact O-NH2 2.84Å
69	G	97.3	Very high	97.8	Very high	2 Å²	2	38.9 Å²	38.9	2%	0.021	20%	0.198	C	C	.	.			trans	-56	141.4	-171.6	0	0	0	0	0	115.1	W64 I65 G99	W64-G69 PolarHBondContact NE1-O 3.42Å; W64-G69 VanDerWaalsContact NE1-O 3.17Å; I65-G69 PolarHBondContact O-N 3.29Å; G69-G99 VanDerWaalsContact CA-O 3.23Å; G69-G99 WeakPolarHBondContact CA-O 3.41Å
70	P	98.7	Very high	97.8	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.206	C	C	.	.			trans	-71.9	175.3	175.2	33.8	-35.3	0	0	0	111.9	F72 A100 L101 P155 V473	P70-F72 HydrophobicContact CB-CE1 4.36Å; P70-F72 HydrophobicContact CG-CD1 4.3Å; P70-F72 HydrophobicContact CG-CE1 3.79Å; P70-F72 HydrophobicContact CG-CZ 4.44Å; P70-A100 HydrophobicContact CG-CB 3.81Å; P70-A100 CarbonylContact O-C 3.55Å; P70-A100 VanDerWaalsContact O-CA 3.28Å; P70-A100 WeakPolarHBondContact O-CA 3.38Å; P70-L101 PolarHBondContact O-N 2.89Å; P70-P155 CarbonylContact C-O 3.54Å; P70-P155 VanDerWaalsContact CA-O 3.24Å; P70-P155 WeakPolarHBondContact CA-O 3.48Å; P70-P155 VanDerWaalsContact CB-O 3.23Å; P70-P155 WeakPolarHBondContact CB-O 3.4Å; P70-V473 HydrophobicContact CB-CG1 3.92Å; P70-V473 HydrophobicContact CB-CG2 3.85Å; P70-V473 HydrophobicContact CG-CG1 4.06Å; P70-V473 HydrophobicContact CG-CG2 4.03Å
71	I	98.9	Very high	97.8	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	120.8	169.5	-56.7	172	0	0	0	108.2	F73 L101 V103 L142 R146 A154 P155 A156 I157	I71-F73 HydrophobicContact CG2-CB 4.45Å; I71-L101 HydrophobicContact CG1-CB 4.39Å; I71-L101 HydrophobicContact CG1-CD2 4.17Å; I71-L101 HydrophobicContact CG2-CD2 4.3Å; I71-V103 HydrophobicContact CG2-CG2 4.11Å; I71-L142 HydrophobicContact CG2-CD2 4.31Å; I71-R146 HydrophobicContact CD1-CG 4Å; I71-A154 HydrophobicContact CD1-CB 4.21Å; I71-A154 HydrophobicContact CG1-CB 4.11Å; I71-P155 PolarHBondContact N-O 2.85Å; I71-A156 HydrophobicContact CB-CB 4.06Å; I71-A156 CarbonylContact O-C 3.54Å; I71-A156 WeakPolarHBondContact O-CA 3.38Å; I71-I157 PolarHBondContact O-N 3.45Å
72	F	98.9	Very high	97.9	Very high	1 Å²	1	40.9 Å²	40.9	0%	0.004	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	117.4	167.9	-71.8	-1.7	0	0	0	108.7	P70 I91 L94 A95 Q98 A100 L101 L102 V103 I157 F159 I469	P70-F72 HydrophobicContact CB-CE1 4.36Å; P70-F72 HydrophobicContact CG-CD1 4.3Å; P70-F72 HydrophobicContact CG-CE1 3.79Å; P70-F72 HydrophobicContact CG-CZ 4.44Å; F72-I91 HydrophobicContact CB-CG2 4.02Å; F72-I91 HydrophobicContact CD2-CG2 4.07Å; F72-I91 HydrophobicContact CG-CG2 4.49Å; F72-L94 HydrophobicContact CE2-CB 3.84Å; F72-L94 HydrophobicContact CE2-CD2 3.73Å; F72-L94 HydrophobicContact CE2-CG 3.58Å; F72-L94 HydrophobicContact CZ-CD2 3.9Å; F72-L94 HydrophobicContact CZ-CG 3.93Å; F72-A95 HydrophobicContact CD2-CB 3.86Å; F72-A95 HydrophobicContact CE2-CB 4.21Å; F72-Q98 HydrophobicContact CZ-CB 4.16Å; F72-Q98 HydrophobicContact CZ-CG 4.42Å; F72-A100 HydrophobicContact CB-CB 4.44Å; F72-A100 HydrophobicContact CD1-CB 3.89Å; F72-A100 HydrophobicContact CD2-CB 3.77Å; F72-A100 HydrophobicContact CE1-CB 4.03Å; F72-A100 HydrophobicContact CE2-CB 3.89Å; F72-A100 HydrophobicContact CG-CB 3.75Å; F72-A100 HydrophobicContact CZ-CB 4.03Å; F72-L101 PolarHBondContact N-O 3Å; F72-L102 HydrophobicContact CB-CD2 4.19Å; F72-V103 PolarHBondContact O-N 3.12Å; F72-I157 HydrophobicContact CD1-CB 4.11Å; F72-I157 HydrophobicContact CD1-CG1 4.39Å; F72-I157 HydrophobicContact CE1-CB 4.31Å; F72-I157 HydrophobicContact CE1-CG1 4.2Å; F72-F159 HydrophobicContact CB-CD2 4.14Å; F72-F159 HydrophobicContact CB-CE2 3.64Å; F72-F159 HydrophobicContact CB-CZ 4.5Å; F72-F159 AromaticContact CD1-CE2 3.65Å; F72-F159 HydrophobicContact CD1-CE2 3.65Å; F72-F159 HydrophobicContact CD1-CZ 4.08Å; F72-F159 AromaticContact CD2-CE2 3.97Å; F72-F159 HydrophobicContact CD2-CE2 3.97Å; F72-F159 HydrophobicContact CD2-CZ 4.01Å; F72-F159 HydrophobicContact CE1-CE2 4.26Å; F72-F159 HydrophobicContact CE1-CZ 4.26Å; F72-F159 HydrophobicContact CE2-CZ 4.21Å; F72-F159 HydrophobicContact CG-CD2 4.43Å; F72-F159 AromaticContact CG-CE2 3.48Å; F72-F159 HydrophobicContact CG-CE2 3.48Å; F72-F159 VanDerWaalsContact CG-CE2 3.48Å; F72-F159 AromaticContact CG-CZ 3.95Å; F72-F159 HydrophobicContact CG-CZ 3.95Å; F72-F159 HydrophobicContact CZ-CZ 4.33Å; F72-I469 HydrophobicContact CE1-CG2 4.14Å; F72-I469 HydrophobicContact CZ-CG2 4.16Å
73	F	98.9	Very high	97.9	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	108.4	-168.7	-170.7	-84.6	0	0	0	110.1	I71 T75 V103 A105 F138 L141 L142 L145 I157 A158 F159	I71-F73 HydrophobicContact CG2-CB 4.45Å; F73-T75 HydrophobicContact CD1-CG2 4.05Å; F73-T75 HydrophobicContact CE1-CG2 4.06Å; F73-V103 CarbonylContact C-O 3.52Å; F73-V103 WeakPolarHBondContact CA-O 3.48Å; F73-V103 HydrophobicContact CD2-CB 3.84Å; F73-V103 HydrophobicContact CD2-CG1 3.66Å; F73-V103 HydrophobicContact CE2-CB 4.37Å; F73-V103 HydrophobicContact CE2-CG1 3.67Å; F73-A105 HydrophobicContact CE1-CB 3.88Å; F73-A105 HydrophobicContact CE2-CB 3.98Å; F73-A105 HydrophobicContact CZ-CB 3.34Å; F73-F138 HydrophobicContact CE1-CB 3.75Å; F73-F138 AromaticContact CE1-CD1 3.86Å; F73-F138 HydrophobicContact CE1-CD1 3.86Å; F73-F138 AromaticContact CE1-CG 3.88Å; F73-F138 HydrophobicContact CE1-CG 3.88Å; F73-F138 HydrophobicContact CZ-CB 3.95Å; F73-F138 AromaticContact CZ-CD1 3.94Å; F73-F138 HydrophobicContact CZ-CD1 3.94Å; F73-F138 HydrophobicContact CZ-CG 4.23Å; F73-L141 HydrophobicContact CE2-CD2 4.07Å; F73-L141 HydrophobicContact CE2-CG 4.36Å; F73-L141 HydrophobicContact CZ-CD2 4.13Å; F73-L142 HydrophobicContact CB-CD2 4.22Å; F73-L142 HydrophobicContact CD1-CD1 4.4Å; F73-L142 HydrophobicContact CD2-CD1 4.37Å; F73-L142 HydrophobicContact CD2-CD2 3.47Å; F73-L142 VanDerWaalsContact CD2-CD2 3.47Å; F73-L142 HydrophobicContact CD2-CG 3.74Å; F73-L142 HydrophobicContact CE2-CD2 3.97Å; F73-L142 HydrophobicContact CE2-CG 3.76Å; F73-L142 HydrophobicContact CG-CD1 4.3Å; F73-L142 HydrophobicContact CG-CD2 3.92Å; F73-L142 HydrophobicContact CG-CG 4.16Å; F73-L142 HydrophobicContact CZ-CG 4.2Å; F73-L145 HydrophobicContact CE2-CD1 4.42Å; F73-I157 PolarHBondContact N-O 3.28Å; F73-A158 CarbonylContact O-C 3.54Å; F73-A158 VanDerWaalsContact O-CA 3.32Å; F73-A158 WeakPolarHBondContact O-CA 3.47Å; F73-F159 PolarHBondContact O-N 3.24Å
74	Y	98.9	Very high	97.9	Very high	5 Å²	5	34.1 Å²	34.1	2%	0.02	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	122.2	172.7	-165.1	-84.7	0	0	0	110.1	G76 F84 S88 I91 V103 F104 A105 F159 G161 L447	Y74-G76 PolarHBondContact O-N 2.96Å; Y74-F84 HydrophobicContact CD1-CB 4.18Å; Y74-F84 HydrophobicContact CE1-CB 3.58Å; Y74-F84 HydrophobicContact CE1-CD1 4.43Å; Y74-F84 HydrophobicContact CE1-CD2 4.03Å; Y74-F84 AromaticContact CE1-CG 3.76Å; Y74-F84 HydrophobicContact CE1-CG 3.76Å; Y74-S88 WeakPolarHBondContact CE2-OG 2.95Å; Y74-I91 HydrophobicContact CD2-CD1 3.51Å; Y74-I91 HydrophobicContact CE2-CD1 4.08Å; Y74-V103 PolarHBondContact N-O 2.74Å; Y74-F104 AromaticContact CD1-CD1 3.77Å; Y74-F104 HydrophobicContact CD1-CD1 3.77Å; Y74-F104 HydrophobicContact CD1-CE1 4.09Å; Y74-F104 HydrophobicContact CD2-CD1 4Å; Y74-F104 AromaticContact CD2-CE1 3.49Å; Y74-F104 HydrophobicContact CD2-CE1 3.49Å; Y74-F104 VanDerWaalsContact CD2-CE1 3.49Å; Y74-F104 HydrophobicContact CD2-CZ 4.14Å; Y74-F104 HydrophobicContact CE2-CE1 4.15Å; Y74-F104 AromaticContact CG-CD1 3.42Å; Y74-F104 HydrophobicContact CG-CD1 3.42Å; Y74-F104 VanDerWaalsContact CG-CD1 3.42Å; Y74-F104 AromaticContact CG-CE1 3.44Å; Y74-F104 HydrophobicContact CG-CE1 3.44Å; Y74-F104 VanDerWaalsContact CG-CE1 3.44Å; Y74-F104 HydrophobicContact CG-CG 4.24Å; Y74-F104 HydrophobicContact CG-CZ 4.27Å; Y74-A105 PolarHBondContact O-N 3.21Å; Y74-A105 VanDerWaalsContact O-N 3.09Å; Y74-F159 CarbonylContact C-O 3.47Å; Y74-F159 VanDerWaalsContact CA-O 3.24Å; Y74-F159 WeakPolarHBondContact CA-O 3.25Å; Y74-F159 HydrophobicContact CD2-CB 4.15Å; Y74-F159 WeakPolarHBondContact CD2-O 3.49Å; Y74-G161 PolarHBondContact OH-N 3Å; Y74-L447 HydrophobicContact CE2-CD1 4.38Å
75	T	98.9	Very high	97.9	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	89.8	172.5	51.3	0	0	0	0	108.8	F73 F138 F159 G164 L167 S168 L171	F73-T75 HydrophobicContact CD1-CG2 4.05Å; F73-T75 HydrophobicContact CE1-CG2 4.06Å; T75-F138 HydrophobicContact CG2-CD2 3.82Å; T75-F138 HydrophobicContact CG2-CE2 4.07Å; T75-F138 HydrophobicContact CG2-CG 4.33Å; T75-F159 PolarHBondContact N-O 3.31Å; T75-F159 PolarHBondContact OG1-O 2.92Å; T75-G164 WeakPolarHBondContact O-CA 3.37Å; T75-G164 PolarHBondContact OG1-O 3.38Å; T75-L167 HydrophobicContact CG2-CB 4.49Å; T75-S168 PolarHBondContact OG1-N 3.1Å; T75-S168 PolarHBondContact OG1-OG 3.05Å; T75-L171 HydrophobicContact CG2-CD2 3.77Å
76	G	98.8	Very high	97.9	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.191	C	C	.	.			trans	-53.6	147.9	-179.3	0	0	0	0	0	112	Y74 A105 H107 F138 L167	Y74-G76 PolarHBondContact O-N 2.96Å; G76-A105 WeakPolarHBondContact CA-O 3.4Å; G76-A105 PolarHBondContact N-O 2.88Å; G76-H107 WeakPolarHBondContact O-CB 3.35Å; G76-H107 PolarHBondContact O-CD2 2.91Å; G76-F138 WeakPolarHBondContact O-CZ 3.14Å; G76-L167 WeakPolarHBondContact O-CD1 3.47Å
77	N	98.6	Very high	98	Very high	4 Å²	4	28.5 Å²	28.5	2%	0.021	17%	0.168	C	C	.	.			trans	-122.6	-143.6	-171.5	60.2	-68.9	0	0	0	110.8	G79 F84 H107 Y163 G164 L167	N77-G79 PolarHBondContact O-N 3.11Å; N77-F84 HydrophobicContact CB-CZ 4.35Å; N77-F84 WeakPolarHBondContact ND2-CE1 3.14Å; N77-F84 WeakPolarHBondContact OD1-CD1 3.47Å; N77-F84 WeakPolarHBondContact OD1-CE1 3.44Å; N77-F84 WeakPolarHBondContact OD1-CE2 3.38Å; N77-F84 WeakPolarHBondContact OD1-CZ 3.47Å; N77-H107 WeakPolarHBondContact O-CB 3.34Å; N77-Y163 HydrophobicContact CB-CD1 3.73Å; N77-Y163 HydrophobicContact CB-CE1 4.48Å; N77-Y163 HydrophobicContact CB-CG 4.27Å; N77-G164 VanDerWaalsContact CB-N 3.29Å; N77-L167 HydrophobicContact CB-CD1 4.41Å
78	E	98.6	Very high	98.3	Very high	52 Å²	52	25 Å²	25	24%	0.243	13%	0.131	C	C	.	.	S	Bend	trans	-76	44.7	-164	70	-76.2	-179.3	0	0	115.8	Y110 Y163 W347	E78-Y110 HydrophobicContact CB-CD1 4.35Å; E78-Y110 HydrophobicContact CB-CE1 3.57Å; E78-Y163 HydrophobicContact CB-CD1 4.47Å; E78-Y163 VanDerWaalsContact OE2-CB 3.27Å; E78-Y163 WeakPolarHBondContact OE2-CB 3.38Å; E78-Y163 WeakPolarHBondContact OE2-CD1 3.35Å; E78-W347 HydrophobicContact CB-CB 4.29Å; E78-W347 HydrophobicContact CB-CD2 4.11Å; E78-W347 HydrophobicContact CB-CE3 3.72Å; E78-W347 HydrophobicContact CB-CG 4.38Å; E78-W347 HydrophobicContact CB-CZ3 4.39Å; E78-W347 HydrophobicContact CG-CD2 4.08Å; E78-W347 HydrophobicContact CG-CE3 4.04Å; E78-W347 HydrophobicContact CG-CG 4.37Å
79	G	98.4	Very high	98.5	Very high	10 Å²	10	19.7 Å²	19.7	10%	0.103	11%	0.109	C	C	.	.	S	Bend	trans	-175.4	-171.2	179	0	0	0	0	0	114.7	N77 V81 F84	N77-G79 PolarHBondContact O-N 3.11Å; G79-V81 PolarHBondContact O-N 3.16Å; G79-F84 WeakPolarHBondContact O-CE2 3.12Å
80	D	98.7	Very high	98.6	Very high	54 Å²	54	20.1 Å²	20.1	29%	0.289	11%	0.11	S	C	.	.			trans	-62.1	128.1	176.6	-167.5	-55.5	0	0	0	111.3	R56 W82 A83	R56-D80 IonicContact CZ-OD1 2.72Å; R56-D80 IonicContact CZ-OD2 2.68Å; R56-D80 IonicContact NH1-OD1 3.95Å; R56-D80 IonicContact NH1-OD2 2.9Å; R56-D80 IonicContact NH2-OD1 3.69Å; R56-D80 PolarHBondContact NH2-OD1 2.72Å; R56-D80 VanDerWaalsContact NH2-OD1 3.13Å; R56-D80 IonicContact NH2-OD2 3.49Å; R56-D80 PolarHBondContact NH2-OD2 3.49Å; D80-W82 PolarHBondContact O-N 3.36Å; D80-W82 VanDerWaalsContact O-N 3.12Å; D80-W82 VanDerWaalsContact OD1-CB 3.3Å; D80-W82 WeakPolarHBondContact OD1-CB 3.35Å; D80-W82 PolarHBondContact OD1-N 2.91Å; D80-A83 VanDerWaalsContact O-CB 3.28Å; D80-A83 WeakPolarHBondContact O-CB 3.45Å; D80-A83 PolarHBondContact O-N 3.41Å
81	V	98.8	Very high	98.6	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-58.1	-27.7	-179.4	70.7	0	0	0	0	114.3	R56 L58 G79 A83 F84 A85 F104 E106	R56-V81 HydrophobicContact CG-CG1 4.31Å; L58-V81 HydrophobicContact CD1-CG1 4.06Å; L58-V81 HydrophobicContact CD1-CG2 4.4Å; L58-V81 HydrophobicContact CD2-CG1 4.15Å; L58-V81 HydrophobicContact CG-CG1 3.88Å; L58-V81 HydrophobicContact CG-CG2 4.33Å; G79-V81 PolarHBondContact O-N 3.16Å; V81-A83 VanDerWaalsContact C-N 3.33Å; V81-F84 PolarHBondContact O-N 2.71Å; V81-A85 PolarHBondContact O-N 3.49Å; V81-F104 HydrophobicContact CG2-CB 3.66Å; V81-E106 HydrophobicContact CB-CB 3.77Å; V81-E106 HydrophobicContact CB-CG 4.07Å; V81-E106 WeakPolarHBondContact CB-OE1 3.35Å; V81-E106 HydrophobicContact CG1-CB 4.05Å; V81-E106 HydrophobicContact CG1-CG 4.43Å; V81-E106 WeakPolarHBondContact CG1-OE1 3.21Å; V81-E106 HydrophobicContact CG2-CB 4.28Å; V81-E106 PolarHBondContact N-OE1 3.48Å
82	W	98.7	Very high	98.6	Very high	80 Å²	80	20.5 Å²	20.5	30%	0.303	11%	0.114	S	C	.	.	H	α-helix	trans	-67.4	-32.4	174.5	-76.4	103.4	0	0	0	112.6	F31 E33 L58 D80 F84 A85 N86	F31-W82 HydrophobicContact CB-CH2 3.64Å; F31-W82 HydrophobicContact CB-CZ3 3.87Å; F31-W82 HydrophobicContact CD2-CZ3 4.32Å; E33-W82 HydrophobicContact CB-CZ2 4.4Å; E33-W82 PolarHBondContact OE2-NE1 2.81Å; L58-W82 HydrophobicContact CD1-CD2 3.58Å; L58-W82 HydrophobicContact CD1-CE3 3.68Å; L58-W82 HydrophobicContact CD1-CG 4.08Å; L58-W82 HydrophobicContact CD1-CH2 4.2Å; L58-W82 HydrophobicContact CD1-CZ2 4.1Å; L58-W82 HydrophobicContact CD1-CZ3 3.99Å; L58-W82 HydrophobicContact CD2-CD2 4.23Å; L58-W82 HydrophobicContact CD2-CH2 4.29Å; L58-W82 HydrophobicContact CD2-CZ2 3.58Å; L58-W82 HydrophobicContact CG-CZ2 4.46Å; D80-W82 PolarHBondContact O-N 3.36Å; D80-W82 VanDerWaalsContact O-N 3.12Å; D80-W82 VanDerWaalsContact OD1-CB 3.3Å; D80-W82 WeakPolarHBondContact OD1-CB 3.35Å; D80-W82 PolarHBondContact OD1-N 2.91Å; W82-F84 VanDerWaalsContact C-N 3.26Å; W82-F84 PolarHBondContact O-N 3.47Å; W82-A85 PolarHBondContact O-N 3.12Å; W82-N86 VanDerWaalsContact O-CB 3.25Å; W82-N86 WeakPolarHBondContact O-CB 3.32Å; W82-N86 PolarHBondContact O-N 3.06Å; W82-N86 PolarHBondContact O-ND2 2.82Å
83	A	98.1	Very high	98.5	Very high	34 Å²	34	21.6 Å²	21.6	28%	0.281	12%	0.119	S	C	.	.	H	α-helix	trans	-60.4	-41.9	175.7	0	0	0	0	0	110.4	D80 V81 N87 F280	D80-A83 VanDerWaalsContact O-CB 3.28Å; D80-A83 WeakPolarHBondContact O-CB 3.45Å; D80-A83 PolarHBondContact O-N 3.41Å; V81-A83 VanDerWaalsContact C-N 3.33Å; A83-N87 WeakPolarHBondContact O-CB 3.48Å; A83-N87 PolarHBondContact O-N 3.41Å; A83-N87 PolarHBondContact O-ND2 2.92Å; A83-F280 HydrophobicContact CB-CE2 4.43Å
84	F	98.5	Very high	98.5	Very high	10 Å²	10	21.7 Å²	21.7	4%	0.044	12%	0.119	C	C	.	.	H	α-helix	trans	-70.2	-45	176.8	-49.2	-48.9	0	0	0	112.2	Y74 N77 G79 V81 W82 N86 N87 S88 F104 F280	Y74-F84 HydrophobicContact CD1-CB 4.18Å; Y74-F84 HydrophobicContact CE1-CB 3.58Å; Y74-F84 HydrophobicContact CE1-CD1 4.43Å; Y74-F84 HydrophobicContact CE1-CD2 4.03Å; Y74-F84 AromaticContact CE1-CG 3.76Å; Y74-F84 HydrophobicContact CE1-CG 3.76Å; N77-F84 HydrophobicContact CB-CZ 4.35Å; N77-F84 WeakPolarHBondContact ND2-CE1 3.14Å; N77-F84 WeakPolarHBondContact OD1-CD1 3.47Å; N77-F84 WeakPolarHBondContact OD1-CE1 3.44Å; N77-F84 WeakPolarHBondContact OD1-CE2 3.38Å; N77-F84 WeakPolarHBondContact OD1-CZ 3.47Å; G79-F84 WeakPolarHBondContact O-CE2 3.12Å; V81-F84 PolarHBondContact O-N 2.71Å; W82-F84 VanDerWaalsContact C-N 3.26Å; W82-F84 PolarHBondContact O-N 3.47Å; F84-N86 VanDerWaalsContact C-N 3.31Å; F84-N86 PolarHBondContact O-N 3.41Å; F84-N87 PolarHBondContact O-N 3.39Å; F84-S88 WeakPolarHBondContact O-CB 3.46Å; F84-S88 PolarHBondContact O-N 2.97Å; F84-S88 PolarHBondContact O-OG 2.92Å; F84-F104 HydrophobicContact CB-CD1 4.33Å; F84-F104 HydrophobicContact CB-CE1 4.46Å; F84-F280 HydrophobicContact CD1-CE2 4.26Å; F84-F280 HydrophobicContact CD1-CZ 4.31Å; F84-F280 HydrophobicContact CE1-CE2 4.45Å; F84-F280 HydrophobicContact CE1-CZ 4.31Å
85	A	98.3	Very high	98.5	Very high	12 Å²	12	21.4 Å²	21.4	10%	0.099	12%	0.118	C	C	.	.	H	α-helix	trans	-60.5	-39.9	177.7	0	0	0	0	0	112.5	F31 L58 V81 W82 N87 F104	F31-A85 HydrophobicContact CD2-CB 4.25Å; F31-A85 HydrophobicContact CE2-CB 3.92Å; L58-A85 HydrophobicContact CD1-CB 3.74Å; V81-A85 PolarHBondContact O-N 3.49Å; W82-A85 PolarHBondContact O-N 3.12Å; A85-N87 VanDerWaalsContact C-N 3.32Å; A85-N87 PolarHBondContact O-N 3.25Å; A85-F104 HydrophobicContact CB-CD1 3.98Å; A85-F104 HydrophobicContact CB-CE1 4.2Å; A85-F104 HydrophobicContact CB-CG 4.19Å
86	N	98	Very high	98.5	Very high	116 Å²	116	23.6 Å²	23.6	62%	0.62	14%	0.136	S	C	*	.	H	α-helix	trans	-72.9	-23.3	179.3	-68	-13.8	0	0	0	113.2	W82 F84	W82-N86 VanDerWaalsContact O-CB 3.25Å; W82-N86 WeakPolarHBondContact O-CB 3.32Å; W82-N86 PolarHBondContact O-N 3.06Å; W82-N86 PolarHBondContact O-ND2 2.82Å; F84-N86 VanDerWaalsContact C-N 3.31Å; F84-N86 PolarHBondContact O-N 3.41Å
87	N	98.2	Very high	98.5	Very high	17 Å²	17	30.8 Å²	30.8	9%	0.091	17%	0.17	C	C	.	.	H	α-helix	trans	-109.9	-2.3	-175.6	-74.4	-83.5	0	0	0	114.3	A83 F84 A85 F280 R448	A83-N87 WeakPolarHBondContact O-CB 3.48Å; A83-N87 PolarHBondContact O-N 3.41Å; A83-N87 PolarHBondContact O-ND2 2.92Å; F84-N87 PolarHBondContact O-N 3.39Å; A85-N87 VanDerWaalsContact C-N 3.32Å; A85-N87 PolarHBondContact O-N 3.25Å; N87-F280 HydrophobicContact CB-CD2 3.93Å; N87-F280 HydrophobicContact CB-CE2 4.35Å; N87-F280 HydrophobicContact CB-CG 4.44Å; N87-F280 WeakPolarHBondContact ND2-CD2 3.33Å; N87-R448 PolarHBondContact OD1-NH1 3.38Å; N87-R448 PolarHBondContact OD1-NH2 2.89Å
88	S	98.3	Very high	98.4	Very high	6 Å²	6	32.9 Å²	32.9	4%	0.042	18%	0.179	C	C	.	.			trans	-111	46.4	-178.6	-51.2	0	0	0	0	112.7	Y74 F84 F90 I91 L447	Y74-S88 WeakPolarHBondContact CE2-OG 2.95Å; F84-S88 WeakPolarHBondContact O-CB 3.46Å; F84-S88 PolarHBondContact O-N 2.97Å; F84-S88 PolarHBondContact O-OG 2.92Å; S88-F90 VanDerWaalsContact C-N 3.27Å; S88-F90 PolarHBondContact O-N 3.34Å; S88-I91 PolarHBondContact O-N 3.45Å; S88-L447 CarbonylContact C-O 3.23Å; S88-L447 WeakPolarHBondContact CA-O 3.4Å
89	G	98	Very high	98.4	Very high	11 Å²	11	30.6 Å²	30.6	11%	0.113	17%	0.17	C	C	.	.	H	α-helix	trans	-61.3	-26.2	-172.3	0	0	0	0	0	115.6	I91 A92 E93 L447	G89-I91 PolarHBondContact O-N 2.85Å; G89-A92 WeakPolarHBondContact O-CB 3.38Å; G89-A92 PolarHBondContact O-N 2.83Å; G89-E93 PolarHBondContact O-N 3.35Å; G89-L447 PolarHBondContact N-O 3.03Å; G89-L447 VanDerWaalsContact N-O 3.12Å
90	F	98.8	Very high	98.4	Very high	10 Å²	10	30.1 Å²	30.1	4%	0.044	17%	0.165	C	C	.	.	H	α-helix	trans	-57.2	-35.4	176.5	171.3	-124.2	0	0	0	112.1	S88 A92 E93 L94 L183 D446 L447 R448 R462 E465	S88-F90 VanDerWaalsContact C-N 3.27Å; S88-F90 PolarHBondContact O-N 3.34Å; F90-A92 VanDerWaalsContact C-N 3.3Å; F90-A92 PolarHBondContact O-N 3.09Å; F90-E93 PolarHBondContact O-N 2.78Å; F90-L94 HydrophobicContact CE1-CD2 4.43Å; F90-L94 HydrophobicContact CE2-CB 4.39Å; F90-L94 HydrophobicContact CZ-CD2 4.16Å; F90-L94 WeakPolarHBondContact O-CB 3.48Å; F90-L94 PolarHBondContact O-N 3.48Å; F90-L183 HydrophobicContact CD1-CD2 4.47Å; F90-L183 HydrophobicContact CE1-CD2 4.05Å; F90-D446 VanDerWaalsContact CB-O 3.25Å; F90-D446 WeakPolarHBondContact CB-O 3.33Å; F90-D446 WeakPolarHBondContact CD1-O 3.46Å; F90-D446 WeakPolarHBondContact CG-O 3.36Å; F90-L447 WeakPolarHBondContact CB-O 3.29Å; F90-L447 PolarHBondContact N-O 3.34Å; F90-R448 WeakPolarHBondContact CB-O 3.4Å; F90-R448 PolarHBondContact N-O 3.14Å; F90-R462 HydrophobicContact CD1-CG 4.44Å; F90-R462 HydrophobicContact CD2-CB 4.16Å; F90-R462 HydrophobicContact CD2-CG 3.89Å; F90-R462 HydrophobicContact CE1-CG 4.4Å; F90-R462 HydrophobicContact CE2-CB 3.66Å; F90-R462 HydrophobicContact CE2-CG 3.85Å; F90-R462 HydrophobicContact CG-CG 4.19Å; F90-R462 HydrophobicContact CZ-CB 3.95Å; F90-R462 HydrophobicContact CZ-CG 4.11Å; F90-E465 HydrophobicContact CE1-CB 4.31Å; F90-E465 WeakPolarHBondContact CE1-OE2 3.39Å; F90-E465 HydrophobicContact CZ-CB 4.25Å
91	I	98.6	Very high	98.4	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.005	15%	0.152	C	C	.	.	H	α-helix	trans	-66.5	-37.4	-179.5	-52.5	174.3	0	0	0	110.2	F72 Y74 S88 G89 A95 L102 F104 F159	F72-I91 HydrophobicContact CB-CG2 4.02Å; F72-I91 HydrophobicContact CD2-CG2 4.07Å; F72-I91 HydrophobicContact CG-CG2 4.49Å; Y74-I91 HydrophobicContact CD2-CD1 3.51Å; Y74-I91 HydrophobicContact CE2-CD1 4.08Å; S88-I91 PolarHBondContact O-N 3.45Å; G89-I91 PolarHBondContact O-N 2.85Å; I91-A95 VanDerWaalsContact O-CB 3.22Å; I91-A95 WeakPolarHBondContact O-CB 3.29Å; I91-A95 PolarHBondContact O-N 3.17Å; I91-L102 HydrophobicContact CG2-CD2 3.66Å; I91-F104 HydrophobicContact CD1-CE1 4.48Å; I91-F104 HydrophobicContact CD1-CZ 3.99Å; I91-F159 HydrophobicContact CD1-CB 3.52Å; I91-F159 HydrophobicContact CD1-CD1 4.04Å; I91-F159 HydrophobicContact CD1-CG 3.86Å; I91-F159 HydrophobicContact CG1-CB 4.29Å; I91-F159 HydrophobicContact CG1-CD1 3.86Å; I91-F159 HydrophobicContact CG1-CE1 4.4Å; I91-F159 HydrophobicContact CG1-CG 4.11Å; I91-F159 HydrophobicContact CG2-CD1 4.47Å; I91-F159 HydrophobicContact CG2-CD2 4.2Å; I91-F159 HydrophobicContact CG2-CE2 4.35Å; I91-F159 HydrophobicContact CG2-CG 4.27Å
92	A	98.5	Very high	98.4	Very high	8 Å²	8	27.7 Å²	27.7	7%	0.066	15%	0.152	C	C	.	.	H	α-helix	trans	-69.5	-41.6	175.3	0	0	0	0	0	112.4	P29 G89 F90 A95 A96 L102	P29-A92 HydrophobicContact CG-CB 3.65Å; G89-A92 WeakPolarHBondContact O-CB 3.38Å; G89-A92 PolarHBondContact O-N 2.83Å; F90-A92 VanDerWaalsContact C-N 3.3Å; F90-A92 PolarHBondContact O-N 3.09Å; A92-A95 PolarHBondContact O-N 2.78Å; A92-A96 PolarHBondContact O-N 3.05Å; A92-L102 HydrophobicContact CB-CD1 4.14Å
93	E	98.7	Very high	98.5	Very high	24 Å²	24	23.9 Å²	23.9	11%	0.112	14%	0.138	C	C	.	.	H	α-helix	trans	-58.8	-49.5	173.6	-68.4	170.1	-169.1	0	0	110.7	A26 G89 F90 A95 A96 E97 A449 S450	A26-E93 HydrophobicContact CB-CG 4.23Å; A26-E93 WeakPolarHBondContact CB-OE1 3.29Å; G89-E93 PolarHBondContact O-N 3.35Å; F90-E93 PolarHBondContact O-N 2.78Å; E93-A95 VanDerWaalsContact C-N 3.33Å; E93-A95 PolarHBondContact O-N 2.9Å; E93-A96 WeakPolarHBondContact O-CB 3.5Å; E93-A96 PolarHBondContact O-N 3.49Å; E93-E97 WeakPolarHBondContact O-CG 3.3Å; E93-E97 PolarHBondContact O-N 3.06Å; E93-E97 VanDerWaalsContact O-N 3.07Å; E93-A449 WeakPolarHBondContact OE1-CA 3.3Å; E93-S450 PolarHBondContact OE1-N 2.85Å; E93-S450 WeakPolarHBondContact OE2-CB 3.21Å; E93-S450 PolarHBondContact OE2-N 3.04Å; E93-S450 PolarHBondContact OE2-OG 3.47Å
94	L	98.7	Very high	98.5	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.005	13%	0.125	C	C	.	.	H	α-helix	trans	-65.2	-36.9	178.4	-167.4	64.4	0	0	0	112.1	F72 F90 A96 E97 Q98 F159 A466 I469	F72-L94 HydrophobicContact CE2-CB 3.84Å; F72-L94 HydrophobicContact CE2-CD2 3.73Å; F72-L94 HydrophobicContact CE2-CG 3.58Å; F72-L94 HydrophobicContact CZ-CD2 3.9Å; F72-L94 HydrophobicContact CZ-CG 3.93Å; F90-L94 HydrophobicContact CE1-CD2 4.43Å; F90-L94 HydrophobicContact CE2-CB 4.39Å; F90-L94 HydrophobicContact CZ-CD2 4.16Å; F90-L94 WeakPolarHBondContact O-CB 3.48Å; F90-L94 PolarHBondContact O-N 3.48Å; L94-A96 VanDerWaalsContact C-N 3.34Å; L94-E97 PolarHBondContact O-N 3.22Å; L94-Q98 HydrophobicContact CD1-CG 4.18Å; L94-Q98 VanDerWaalsContact CD1-NE2 3.26Å; L94-Q98 HydrophobicContact CG-CG 4.33Å; L94-Q98 WeakPolarHBondContact O-CB 3.4Å; L94-Q98 WeakPolarHBondContact O-CG 3.27Å; L94-Q98 PolarHBondContact O-N 3.01Å; L94-F159 HydrophobicContact CD2-CE1 4.32Å; L94-F159 HydrophobicContact CD2-CZ 4.18Å; L94-A466 HydrophobicContact CD1-CB 3.4Å; L94-I469 HydrophobicContact CD2-CD1 3.9Å; L94-I469 HydrophobicContact CD2-CG2 4.27Å
95	A	98.6	Very high	98.5	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-65.4	-38.6	176.1	0	0	0	0	0	111.9	F63 F72 I91 A92 E93 E97 Q98 G99 A100 L102	F63-A95 HydrophobicContact CD2-CB 4.14Å; F72-A95 HydrophobicContact CD2-CB 3.86Å; F72-A95 HydrophobicContact CE2-CB 4.21Å; I91-A95 VanDerWaalsContact O-CB 3.22Å; I91-A95 WeakPolarHBondContact O-CB 3.29Å; I91-A95 PolarHBondContact O-N 3.17Å; A92-A95 PolarHBondContact O-N 2.78Å; E93-A95 VanDerWaalsContact C-N 3.33Å; E93-A95 PolarHBondContact O-N 2.9Å; A95-E97 VanDerWaalsContact C-N 3.31Å; A95-Q98 PolarHBondContact O-N 2.85Å; A95-G99 CarbonylContact O-C 3.51Å; A95-G99 WeakPolarHBondContact O-CA 3.39Å; A95-G99 PolarHBondContact O-N 2.9Å; A95-A100 HydrophobicContact CB-CB 3.88Å; A95-A100 PolarHBondContact O-N 3.23Å; A95-L102 HydrophobicContact CB-CD1 3.93Å; A95-L102 HydrophobicContact CB-CD2 3.57Å; A95-L102 HydrophobicContact CB-CG 3.61Å
96	A	98.4	Very high	98.5	Very high	46 Å²	46	21.3 Å²	21.3	38%	0.38	12%	0.118	S	C	.	.	H	α-helix	trans	-63.3	-37.3	173	0	0	0	0	0	112.1	P27 F63 A92 E93 L94	P27-A96 HydrophobicContact CG-CB 4Å; F63-A96 HydrophobicContact CD1-CB 3.83Å; F63-A96 HydrophobicContact CD2-CB 4.29Å; F63-A96 HydrophobicContact CE1-CB 4.06Å; F63-A96 HydrophobicContact CE2-CB 4.5Å; F63-A96 HydrophobicContact CG-CB 3.97Å; F63-A96 HydrophobicContact CZ-CB 4.41Å; A92-A96 PolarHBondContact O-N 3.05Å; E93-A96 WeakPolarHBondContact O-CB 3.5Å; E93-A96 PolarHBondContact O-N 3.49Å; L94-A96 VanDerWaalsContact C-N 3.34Å
97	E	98	Very high	98.6	Very high	151 Å²	151	15.9 Å²	15.9	71%	0.706	9%	0.089	S	C	*	.	H	α-helix	trans	-73.6	-38	176.9	-69.8	-179.1	177.8	0	0	113.4	E93 L94 A95	E93-E97 WeakPolarHBondContact O-CG 3.3Å; E93-E97 PolarHBondContact O-N 3.06Å; E93-E97 VanDerWaalsContact O-N 3.07Å; L94-E97 PolarHBondContact O-N 3.22Å; A95-E97 VanDerWaalsContact C-N 3.31Å
98	Q	98	Very high	98.6	Very high	47 Å²	47	15 Å²	15	22%	0.22	8%	0.084	C	C	.	.	H	α-helix	trans	-100.9	3	-173.7	-59.9	-163.8	20.2	0	0	114.1	F72 L94 A95 A100 A466	F72-Q98 HydrophobicContact CZ-CB 4.16Å; F72-Q98 HydrophobicContact CZ-CG 4.42Å; L94-Q98 HydrophobicContact CD1-CG 4.18Å; L94-Q98 VanDerWaalsContact CD1-NE2 3.26Å; L94-Q98 HydrophobicContact CG-CG 4.33Å; L94-Q98 WeakPolarHBondContact O-CB 3.4Å; L94-Q98 WeakPolarHBondContact O-CG 3.27Å; L94-Q98 PolarHBondContact O-N 3.01Å; A95-Q98 PolarHBondContact O-N 2.85Å; Q98-A100 VanDerWaalsContact C-N 3.35Å; Q98-A100 PolarHBondContact O-N 3.47Å; Q98-A466 PolarHBondContact NE2-O 2.9Å
99	G	98.4	Very high	98.7	Very high	5 Å²	5	14.8 Å²	14.8	5%	0.052	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.7	35.8	-179.9	0	0	0	0	0	113.3	F63 W64 I65 G69 A95	F63-G99 CarbonylContact O-C 3.49Å; F63-G99 WeakPolarHBondContact O-CA 3.01Å; W64-G99 WeakPolarHBondContact CA-O 3.39Å; I65-G99 PolarHBondContact N-O 2.85Å; G69-G99 VanDerWaalsContact CA-O 3.23Å; G69-G99 WeakPolarHBondContact CA-O 3.41Å; A95-G99 CarbonylContact O-C 3.51Å; A95-G99 WeakPolarHBondContact O-CA 3.39Å; A95-G99 PolarHBondContact O-N 2.9Å
100	A	98.8	Very high	98.7	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.077	C	C	.	.	P	Polyproline II helix	trans	-89.8	150.4	-169.9	0	0	0	0	0	113.5	P70 F72 A95 Q98	P70-A100 HydrophobicContact CG-CB 3.81Å; P70-A100 CarbonylContact O-C 3.55Å; P70-A100 VanDerWaalsContact O-CA 3.28Å; P70-A100 WeakPolarHBondContact O-CA 3.38Å; F72-A100 HydrophobicContact CB-CB 4.44Å; F72-A100 HydrophobicContact CD1-CB 3.89Å; F72-A100 HydrophobicContact CD2-CB 3.77Å; F72-A100 HydrophobicContact CE1-CB 4.03Å; F72-A100 HydrophobicContact CE2-CB 3.89Å; F72-A100 HydrophobicContact CG-CB 3.75Å; F72-A100 HydrophobicContact CZ-CB 4.03Å; A95-A100 HydrophobicContact CB-CB 3.88Å; A95-A100 PolarHBondContact O-N 3.23Å; Q98-A100 VanDerWaalsContact C-N 3.35Å; Q98-A100 PolarHBondContact O-N 3.47Å
101	L	98.9	Very high	98.7	Very high	2 Å²	2	14.9 Å²	14.9	1%	0.01	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	134.1	162.5	-178.8	73.1	0	0	0	108.8	V59 S60 D61 W64 P70 I71 F72 V103 L149	V59-L101 HydrophobicContact CG2-CD1 3.91Å; V59-L101 HydrophobicContact CG2-CG 4.45Å; S60-L101 WeakPolarHBondContact O-CD1 3.48Å; D61-L101 HydrophobicContact CB-CD1 3.84Å; W64-L101 HydrophobicContact CB-CB 4.11Å; W64-L101 HydrophobicContact CB-CD1 4.31Å; W64-L101 VanDerWaalsContact CD1-N 3.3Å; W64-L101 HydrophobicContact CD2-CB 3.92Å; W64-L101 HydrophobicContact CD2-CD1 4.12Å; W64-L101 HydrophobicContact CE3-CD1 3.92Å; W64-L101 HydrophobicContact CG-CB 3.67Å; W64-L101 HydrophobicContact CG-CD1 4.29Å; P70-L101 PolarHBondContact O-N 2.89Å; I71-L101 HydrophobicContact CG1-CB 4.39Å; I71-L101 HydrophobicContact CG1-CD2 4.17Å; I71-L101 HydrophobicContact CG2-CD2 4.3Å; F72-L101 PolarHBondContact N-O 3Å; L101-V103 HydrophobicContact CD2-CG2 3.89Å; L101-V103 HydrophobicContact CG-CG2 4.07Å; L101-L149 HydrophobicContact CD2-CD1 3.59Å
102	L	98.9	Very high	98.7	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	128.1	173.7	-72.7	165	0	0	0	110.4	P29 F31 V59 S60 F63 F72 I91 A92 A95	P29-L102 HydrophobicContact CB-CD1 3.89Å; P29-L102 HydrophobicContact CG-CD1 4.15Å; F31-L102 HydrophobicContact CE1-CB 3.84Å; F31-L102 HydrophobicContact CZ-CB 4.25Å; F31-L102 HydrophobicContact CZ-CD1 4.32Å; V59-L102 CarbonylContact C-O 2.99Å; V59-L102 VanDerWaalsContact CA-O 3.32Å; V59-L102 WeakPolarHBondContact CA-O 3.37Å; S60-L102 PolarHBondContact N-O 3.2Å; S60-L102 PolarHBondContact O-N 3.43Å; F63-L102 HydrophobicContact CD2-CD1 3.83Å; F63-L102 HydrophobicContact CE2-CD1 3.86Å; F72-L102 HydrophobicContact CB-CD2 4.19Å; I91-L102 HydrophobicContact CG2-CD2 3.66Å; A92-L102 HydrophobicContact CB-CD1 4.14Å; A95-L102 HydrophobicContact CB-CD1 3.93Å; A95-L102 HydrophobicContact CB-CD2 3.57Å; A95-L102 HydrophobicContact CB-CG 3.61Å
103	V	98.9	Very high	98.7	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	124.6	173.9	-177.7	0	0	0	0	109.1	F57 L58 V59 I71 F72 F73 Y74 L101 L145	F57-V103 HydrophobicContact CD2-CG1 4.2Å; L58-V103 CarbonylContact O-C 3.48Å; L58-V103 VanDerWaalsContact O-CA 3.29Å; L58-V103 WeakPolarHBondContact O-CA 3.39Å; V59-V103 HydrophobicContact CG2-CG2 4.28Å; I71-V103 HydrophobicContact CG2-CG2 4.11Å; F72-V103 PolarHBondContact O-N 3.12Å; F73-V103 CarbonylContact C-O 3.52Å; F73-V103 WeakPolarHBondContact CA-O 3.48Å; F73-V103 HydrophobicContact CD2-CB 3.84Å; F73-V103 HydrophobicContact CD2-CG1 3.66Å; F73-V103 HydrophobicContact CE2-CB 4.37Å; F73-V103 HydrophobicContact CE2-CG1 3.67Å; Y74-V103 PolarHBondContact N-O 2.74Å; L101-V103 HydrophobicContact CD2-CG2 3.89Å; L101-V103 HydrophobicContact CG-CG2 4.07Å; V103-L145 HydrophobicContact CG1-CD1 3.89Å; V103-L145 HydrophobicContact CG2-CD1 4.04Å
104	F	98.9	Very high	98.7	Very high	3 Å²	3	20.1 Å²	20.1	1%	0.013	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	108.9	168.6	-76.3	-114.7	0	0	0	108.1	F31 F57 L58 Y74 V81 F84 A85 I91	F31-F104 AromaticContact CE1-CD2 3.84Å; F31-F104 HydrophobicContact CE1-CD2 3.84Å; F31-F104 HydrophobicContact CE1-CE2 4.22Å; F31-F104 HydrophobicContact CE2-CE2 4.45Å; F31-F104 AromaticContact CZ-CD2 3.61Å; F31-F104 HydrophobicContact CZ-CD2 3.61Å; F31-F104 AromaticContact CZ-CE2 3.58Å; F31-F104 HydrophobicContact CZ-CE2 3.58Å; F57-F104 CarbonylContact C-O 3.48Å; F57-F104 VanDerWaalsContact CA-O 3.23Å; F57-F104 WeakPolarHBondContact CA-O 3.26Å; F57-F104 WeakPolarHBondContact CB-O 3.22Å; L58-F104 HydrophobicContact CB-CB 4.2Å; L58-F104 HydrophobicContact CG-CB 4.48Å; L58-F104 PolarHBondContact N-O 2.7Å; L58-F104 PolarHBondContact O-N 2.93Å; Y74-F104 AromaticContact CD1-CD1 3.77Å; Y74-F104 HydrophobicContact CD1-CD1 3.77Å; Y74-F104 HydrophobicContact CD1-CE1 4.09Å; Y74-F104 HydrophobicContact CD2-CD1 4Å; Y74-F104 AromaticContact CD2-CE1 3.49Å; Y74-F104 HydrophobicContact CD2-CE1 3.49Å; Y74-F104 VanDerWaalsContact CD2-CE1 3.49Å; Y74-F104 HydrophobicContact CD2-CZ 4.14Å; Y74-F104 HydrophobicContact CE2-CE1 4.15Å; Y74-F104 AromaticContact CG-CD1 3.42Å; Y74-F104 HydrophobicContact CG-CD1 3.42Å; Y74-F104 VanDerWaalsContact CG-CD1 3.42Å; Y74-F104 AromaticContact CG-CE1 3.44Å; Y74-F104 HydrophobicContact CG-CE1 3.44Å; Y74-F104 VanDerWaalsContact CG-CE1 3.44Å; Y74-F104 HydrophobicContact CG-CG 4.24Å; Y74-F104 HydrophobicContact CG-CZ 4.27Å; V81-F104 HydrophobicContact CG2-CB 3.66Å; F84-F104 HydrophobicContact CB-CD1 4.33Å; F84-F104 HydrophobicContact CB-CE1 4.46Å; A85-F104 HydrophobicContact CB-CD1 3.98Å; A85-F104 HydrophobicContact CB-CE1 4.2Å; A85-F104 HydrophobicContact CB-CG 4.19Å; I91-F104 HydrophobicContact CD1-CE1 4.48Å; I91-F104 HydrophobicContact CD1-CZ 3.99Å
105	A	98.9	Very high	98.7	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	128.2	-179.1	0	0	0	0	0	110.1	F57 F73 Y74 G76 F138 L141	F57-A105 HydrophobicContact CB-CB 4.48Å; F73-A105 HydrophobicContact CE1-CB 3.88Å; F73-A105 HydrophobicContact CE2-CB 3.98Å; F73-A105 HydrophobicContact CZ-CB 3.34Å; Y74-A105 PolarHBondContact O-N 3.21Å; Y74-A105 VanDerWaalsContact O-N 3.09Å; G76-A105 WeakPolarHBondContact CA-O 3.4Å; G76-A105 PolarHBondContact N-O 2.88Å; A105-F138 HydrophobicContact CB-CD1 3.7Å; A105-F138 HydrophobicContact CB-CE1 3.75Å; A105-L141 HydrophobicContact CB-CD2 3.65Å
106	E	98.9	Very high	98.7	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.122	C	C	.	.	P	Polyproline II helix	trans	-76	141.5	177	-172.5	160.5	-95.3	0	0	110.9	Q55 R56 V81 K112 S113	Q55-E106 PolarHBondContact NE2-O 3.24Å; R56-E106 HydrophobicContact CB-CB 4.05Å; R56-E106 WeakPolarHBondContact CB-OE2 3.33Å; R56-E106 IonicContact CZ-OE1 3.83Å; R56-E106 IonicContact CZ-OE2 2.7Å; R56-E106 VanDerWaalsContact NE-CD 3.33Å; R56-E106 IonicContact NE-OE1 3.44Å; R56-E106 PolarHBondContact NE-OE1 2.68Å; R56-E106 VanDerWaalsContact NE-OE1 3.08Å; R56-E106 IonicContact NE-OE2 2.7Å; R56-E106 PolarHBondContact NE-OE2 3.08Å; R56-E106 IonicContact NH2-OE1 2.69Å; R56-E106 PolarHBondContact NH2-OE1 3.21Å; R56-E106 IonicContact NH2-OE2 3.96Å; R56-E106 PolarHBondContact NH2-OE2 3.01Å; R56-E106 WeakPolarHBondContact O-CB 3.32Å; R56-E106 PolarHBondContact O-N 3.15Å; V81-E106 HydrophobicContact CB-CB 3.77Å; V81-E106 HydrophobicContact CB-CG 4.07Å; V81-E106 WeakPolarHBondContact CB-OE1 3.35Å; V81-E106 HydrophobicContact CG1-CB 4.05Å; V81-E106 HydrophobicContact CG1-CG 4.43Å; V81-E106 WeakPolarHBondContact CG1-OE1 3.21Å; V81-E106 HydrophobicContact CG2-CB 4.28Å; V81-E106 PolarHBondContact N-OE1 3.48Å; E106-K112 PolarHBondContact OE2-N 3.26Å; E106-S113 VanDerWaalsContact CB-OG 3.31Å; E106-S113 WeakPolarHBondContact CB-OG 3.46Å; E106-S113 WeakPolarHBondContact CG-OG 3.48Å; E106-S113 WeakPolarHBondContact OE2-CB 3.42Å; E106-S113 PolarHBondContact OE2-N 3.04Å; E106-S113 PolarHBondContact OE2-OG 3.36Å
107	H	98.9	Very high	98.7	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.005	12%	0.121	C	C	.	.	P	Polyproline II helix	trans	-70.6	140	176.1	-163.8	-73.1	0	0	0	110.7	G76 N77 Y110 A134 Y163	G76-H107 WeakPolarHBondContact O-CB 3.35Å; G76-H107 PolarHBondContact O-CD2 2.91Å; N77-H107 WeakPolarHBondContact O-CB 3.34Å; H107-Y110 HydrophobicContact CB-CD2 3.68Å; H107-Y110 HydrophobicContact CB-CE2 4.39Å; H107-Y110 HydrophobicContact CB-CG 4.41Å; H107-Y110 AromaticContact CE1-CE2 3.94Å; H107-Y110 AromaticContact CG-CD2 3.72Å; H107-Y110 AromaticContact CG-CE2 3.99Å; H107-Y110 AromaticContact ND1-CD2 3.39Å; H107-Y110 WeakPolarHBondContact ND1-CD2 3.37Å; H107-Y110 AromaticContact ND1-CE2 3.47Å; H107-Y110 WeakPolarHBondContact ND1-CE2 3.48Å; H107-Y110 PolarHBondContact O-N 3.31Å; H107-A134 WeakPolarHBondContact NE2-CB 3.39Å; H107-Y163 AromaticContact CD2-CE1 3.75Å; H107-Y163 AromaticContact NE2-CE1 3.47Å; H107-Y163 WeakPolarHBondContact NE2-CE1 3.43Å; H107-Y163 AromaticContact NE2-CZ 3.52Å; H107-Y163 PolarHBondContact NE2-OH 3.39Å
108	R	98.9	Very high	98.7	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	143.5	171.4	58.1	166.7	59.9	-155.8	-4.6	110.9	R39 L40 H42 F53 Y110 S113 P115 L128 A134 D137	R39-R108 PolarHBondContact O-NH2 3.2Å; L40-R108 PolarHBondContact O-NH1 2.94Å; L40-R108 PolarHBondContact O-NH2 3.45Å; H42-R108 PolarHBondContact CD2-NH2 3.49Å; F53-R108 HydrophobicContact CE2-CB 4.38Å; F53-R108 HydrophobicContact CZ-CB 3.86Å; R108-Y110 VanDerWaalsContact C-N 3.27Å; R108-Y110 VanDerWaalsContact O-CD2 3.26Å; R108-Y110 WeakPolarHBondContact O-CD2 3.46Å; R108-Y110 PolarHBondContact O-N 3.2Å; R108-S113 CarbonylContact C-O 3.45Å; R108-P115 HydrophobicContact CB-CG 4.45Å; R108-L128 WeakPolarHBondContact CD-O 3.47Å; R108-L128 PolarHBondContact NH1-O 3.46Å; R108-A134 HydrophobicContact CG-CB 4.34Å; R108-D137 IonicContact CZ-OD1 3.83Å; R108-D137 IonicContact CZ-OD2 3.57Å; R108-D137 IonicContact NE-OD1 3.78Å; R108-D137 IonicContact NE-OD2 3.58Å; R108-D137 PolarHBondContact NE-OD2 2.92Å; R108-D137 VanDerWaalsContact NH2-CG 3.31Å; R108-D137 IonicContact NH2-OD1 3.37Å; R108-D137 PolarHBondContact NH2-OD1 3.03Å; R108-D137 IonicContact NH2-OD2 3.96Å; R108-D137 PolarHBondContact NH2-OD2 3.25Å
109	Y	98.9	Very high	98.7	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.2	-4.4	-175.5	-66.6	-103.2	0	0	0	117.2	S113 L114 P115 F116 S120 H125 T126 L128 L129	Y109-S113 PolarHBondContact N-O 3.47Å; Y109-L114 WeakPolarHBondContact O-CD2 3.36Å; Y109-P115 HydrophobicContact CD2-CG 3.86Å; Y109-P115 HydrophobicContact CE2-CB 4.38Å; Y109-P115 HydrophobicContact CE2-CG 3.56Å; Y109-F116 WeakPolarHBondContact OH-CE2 3.21Å; Y109-S120 WeakPolarHBondContact CD1-O 3.33Å; Y109-S120 WeakPolarHBondContact CE1-O 3.4Å; Y109-H125 WeakPolarHBondContact CE1-O 3Å; Y109-H125 PolarHBondContact OH-O 3.32Å; Y109-T126 HydrophobicContact CE1-CG2 4.47Å; Y109-L128 VanDerWaalsContact CE2-C 3.5Å; Y109-L128 HydrophobicContact CE2-CB 4.05Å; Y109-L128 WeakPolarHBondContact OH-CB 3.33Å; Y109-L128 PolarHBondContact OH-N 3.31Å; Y109-L129 HydrophobicContact CD1-CB 4.26Å; Y109-L129 HydrophobicContact CD1-CD2 4.2Å; Y109-L129 HydrophobicContact CD2-CB 3.62Å; Y109-L129 HydrophobicContact CD2-CD1 3.77Å; Y109-L129 HydrophobicContact CD2-CD2 4.36Å; Y109-L129 HydrophobicContact CD2-CG 4.1Å; Y109-L129 HydrophobicContact CE1-CB 4.29Å; Y109-L129 HydrophobicContact CE2-CB 3.63Å; Y109-L129 HydrophobicContact CG-CB 3.93Å; Y109-L129 HydrophobicContact CG-CD1 4.01Å; Y109-L129 HydrophobicContact CG-CD2 3.91Å; Y109-L129 HydrophobicContact CG-CG 4.16Å
110	Y	98.9	Very high	98.7	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.138	C	C	.	.	S	Bend	trans	-109.9	152.4	178.8	-64.6	-86.4	0	0	0	111.7	E78 H107 R108 K112 S113 L129 D343 A346 W347 Q350	E78-Y110 HydrophobicContact CB-CD1 4.35Å; E78-Y110 HydrophobicContact CB-CE1 3.57Å; H107-Y110 HydrophobicContact CB-CD2 3.68Å; H107-Y110 HydrophobicContact CB-CE2 4.39Å; H107-Y110 HydrophobicContact CB-CG 4.41Å; H107-Y110 AromaticContact CE1-CE2 3.94Å; H107-Y110 AromaticContact CG-CD2 3.72Å; H107-Y110 AromaticContact CG-CE2 3.99Å; H107-Y110 AromaticContact ND1-CD2 3.39Å; H107-Y110 WeakPolarHBondContact ND1-CD2 3.37Å; H107-Y110 AromaticContact ND1-CE2 3.47Å; H107-Y110 WeakPolarHBondContact ND1-CE2 3.48Å; H107-Y110 PolarHBondContact O-N 3.31Å; R108-Y110 VanDerWaalsContact C-N 3.27Å; R108-Y110 VanDerWaalsContact O-CD2 3.26Å; R108-Y110 WeakPolarHBondContact O-CD2 3.46Å; R108-Y110 PolarHBondContact O-N 3.2Å; Y110-K112 PolarHBondContact O-N 2.94Å; Y110-K112 VanDerWaalsContact O-N 3.07Å; Y110-S113 PolarHBondContact O-N 2.84Å; Y110-L129 HydrophobicContact CE2-CD1 4.3Å; Y110-D343 WeakPolarHBondContact CA-OD1 3.47Å; Y110-D343 HydrophobicContact CD1-CB 3.73Å; Y110-D343 HydrophobicContact CE1-CB 4.17Å; Y110-D343 VanDerWaalsContact CE1-O 3.31Å; Y110-D343 WeakPolarHBondContact CE1-O 3.43Å; Y110-A346 HydrophobicContact CD1-CB 4.16Å; Y110-A346 HydrophobicContact CE1-CB 3.6Å; Y110-A346 HydrophobicContact CE2-CB 4.06Å; Y110-W347 WeakPolarHBondContact OH-CA 3.46Å; Y110-W347 PolarHBondContact OH-N 2.94Å; Y110-Q350 PolarHBondContact OH-OE1 3.12Å
111	G	98.6	Very high	98.7	Very high	23 Å²	23	27.7 Å²	27.7	24%	0.237	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	-113.5	177	0	0	0	0	0	112.5	D343	G111-D343 PolarHBondContact N-OD1 3.06Å
112	K	98.8	Very high	98.7	Very high	105 Å²	105	32 Å²	32	46%	0.457	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.4	-0.9	179.1	-62.1	-176.8	-167.9	167.5	0	113.4	E33 F35 R56 E106 Y110 L114	E33-K112 IonicContact OE1-NZ 3.77Å; E33-K112 PolarHBondContact OE1-NZ 3.28Å; E33-K112 IonicContact OE2-NZ 3.7Å; F35-K112 HydrophobicContact CE1-CB 4.31Å; F35-K112 HydrophobicContact CZ-CD 4.33Å; R56-K112 VanDerWaalsContact NH1-CE 3.35Å; E106-K112 PolarHBondContact OE2-N 3.26Å; Y110-K112 PolarHBondContact O-N 2.94Å; Y110-K112 VanDerWaalsContact O-N 3.07Å; K112-L114 VanDerWaalsContact C-N 3.31Å; K112-L114 PolarHBondContact O-N 3.01Å; K112-L114 VanDerWaalsContact O-N 3.1Å
113	S	98.9	Very high	98.7	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	18%	0.184	C	C	.	.			trans	-89.4	65.5	-175.9	-60.6	0	0	0	0	111.3	R56 E106 R108 Y109 Y110 P115	R56-S113 WeakPolarHBondContact CB-OG 3.41Å; R56-S113 PolarHBondContact N-OG 3.13Å; E106-S113 VanDerWaalsContact CB-OG 3.31Å; E106-S113 WeakPolarHBondContact CB-OG 3.46Å; E106-S113 WeakPolarHBondContact CG-OG 3.48Å; E106-S113 WeakPolarHBondContact OE2-CB 3.42Å; E106-S113 PolarHBondContact OE2-N 3.04Å; E106-S113 PolarHBondContact OE2-OG 3.36Å; R108-S113 CarbonylContact C-O 3.45Å; Y109-S113 PolarHBondContact N-O 3.47Å; Y110-S113 PolarHBondContact O-N 2.84Å; S113-P115 WeakPolarHBondContact O-CD 3.38Å
114	L	98.9	Very high	98.6	Very high	38 Å²	38	41.3 Å²	41.3	20%	0.199	21%	0.212	C	C	.	.			trans	-106.8	107.2	-166.2	-59.4	-178.2	0	0	0	112	Y109 K112 F116 G117	Y109-L114 WeakPolarHBondContact O-CD2 3.36Å; K112-L114 VanDerWaalsContact C-N 3.31Å; K112-L114 PolarHBondContact O-N 3.01Å; K112-L114 VanDerWaalsContact O-N 3.1Å; L114-F116 PolarHBondContact O-N 2.71Å; L114-F116 VanDerWaalsContact O-N 3.1Å; L114-G117 WeakPolarHBondContact CB-O 3.23Å; L114-G117 PolarHBondContact O-N 3.1Å; L114-G117 VanDerWaalsContact O-N 3.16Å
115	P	98.8	Very high	98.6	Very high	13 Å²	13	43.3 Å²	43.3	8%	0.084	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-31.9	-177.2	-32.4	41.1	0	0	0	115	L40 F53 R108 Y109 S113	L40-P115 HydrophobicContact CD2-CB 3.62Å; F53-P115 HydrophobicContact CD1-CB 4.44Å; F53-P115 HydrophobicContact CD1-CG 4.35Å; F53-P115 HydrophobicContact CD2-CB 4.46Å; F53-P115 HydrophobicContact CD2-CG 4.08Å; F53-P115 HydrophobicContact CE1-CG 4.27Å; F53-P115 HydrophobicContact CE2-CG 4.01Å; F53-P115 HydrophobicContact CG-CB 4.26Å; F53-P115 HydrophobicContact CG-CG 4.25Å; F53-P115 HydrophobicContact CZ-CG 4.12Å; R108-P115 HydrophobicContact CB-CG 4.45Å; Y109-P115 HydrophobicContact CD2-CG 3.86Å; Y109-P115 HydrophobicContact CE2-CB 4.38Å; Y109-P115 HydrophobicContact CE2-CG 3.56Å; S113-P115 WeakPolarHBondContact O-CD 3.38Å
116	F	98.8	Very high	98.6	Very high	46 Å²	46	43.6 Å²	43.6	20%	0.202	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.7	25.6	-178.5	-52	-65.5	0	0	0	112.4	L40 F48 Y109 L114 S120 H125 L128	L40-F116 HydrophobicContact CD1-CE1 4.42Å; L40-F116 HydrophobicContact CD2-CE1 4.46Å; F48-F116 HydrophobicContact CD1-CE1 4.22Å; F48-F116 HydrophobicContact CD1-CZ 4.37Å; F48-F116 AromaticContact CE1-CE1 3.62Å; F48-F116 HydrophobicContact CE1-CE1 3.62Å; F48-F116 AromaticContact CE1-CZ 3.59Å; F48-F116 HydrophobicContact CE1-CZ 3.59Å; F48-F116 HydrophobicContact CZ-CE1 4.21Å; F48-F116 AromaticContact CZ-CZ 3.7Å; F48-F116 HydrophobicContact CZ-CZ 3.7Å; Y109-F116 WeakPolarHBondContact OH-CE2 3.21Å; L114-F116 PolarHBondContact O-N 2.71Å; L114-F116 VanDerWaalsContact O-N 3.1Å; F116-S120 WeakPolarHBondContact CA-OG 3.43Å; F116-S120 PolarHBondContact N-OG 2.88Å; F116-H125 HydrophobicContact CD2-CB 3.91Å; F116-H125 VanDerWaalsContact CD2-O 3.23Å; F116-H125 WeakPolarHBondContact CD2-O 3.21Å; F116-H125 WeakPolarHBondContact CE2-O 3.06Å; F116-H125 HydrophobicContact CG-CB 4.49Å; F116-L128 HydrophobicContact CE2-CD1 4.02Å; F116-L128 HydrophobicContact CE2-CG 4.41Å; F116-L128 HydrophobicContact CZ-CD1 3.57Å; F116-L128 HydrophobicContact CZ-CG 4.29Å
117	G	98.4	Very high	98.6	Very high	34 Å²	34	46.8 Å²	46.8	35%	0.351	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	60.5	-145.4	-174.2	0	0	0	0	0	112.2	L114 R119 S120	L114-G117 WeakPolarHBondContact CB-O 3.23Å; L114-G117 PolarHBondContact O-N 3.1Å; L114-G117 VanDerWaalsContact O-N 3.16Å; G117-R119 PolarHBondContact O-N 3.24Å; G117-S120 PolarHBondContact N-OG 3.47Å; G117-S120 VanDerWaalsContact O-CB 3.32Å; G117-S120 WeakPolarHBondContact O-CB 3.19Å; G117-S120 PolarHBondContact O-N 2.83Å; G117-S120 PolarHBondContact O-OG 3.01Å
118	E	97	Very high	98.6	Very high	175 Å²	175	46.8 Å²	46.8	82%	0.818	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-58.3	-21.2	-176.2	-62.6	-176.8	167.3	0	0	114.5	S120	E118-S120 VanDerWaalsContact C-N 3.32Å
119	R	98.3	Very high	98.6	Very high	139 Å²	139	46.8 Å²	46.8	53%	0.525	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-79.4	-12.1	177.8	-63.5	-171	-61.4	164.6	3.6	113.8	G117 T121 Q122 H125	G117-R119 PolarHBondContact O-N 3.24Å; R119-T121 PolarHBondContact O-N 3.06Å; R119-T121 VanDerWaalsContact O-N 3.16Å; R119-Q122 VanDerWaalsContact O-CB 3.3Å; R119-Q122 WeakPolarHBondContact O-CB 3.21Å; R119-Q122 PolarHBondContact O-N 3.5Å; R119-H125 WeakPolarHBondContact O-CB 3.45Å
120	S	98.8	Very high	98.6	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-41.3	-173.4	-54.7	0	0	0	0	112.5	Y109 F116 G117 E118 Q122 T126	Y109-S120 WeakPolarHBondContact CD1-O 3.33Å; Y109-S120 WeakPolarHBondContact CE1-O 3.4Å; F116-S120 WeakPolarHBondContact CA-OG 3.43Å; F116-S120 PolarHBondContact N-OG 2.88Å; G117-S120 PolarHBondContact N-OG 3.47Å; G117-S120 VanDerWaalsContact O-CB 3.32Å; G117-S120 WeakPolarHBondContact O-CB 3.19Å; G117-S120 PolarHBondContact O-N 2.83Å; G117-S120 PolarHBondContact O-OG 3.01Å; E118-S120 VanDerWaalsContact C-N 3.32Å; S120-Q122 VanDerWaalsContact C-N 3.26Å; S120-Q122 PolarHBondContact O-N 2.99Å; S120-T126 WeakPolarHBondContact O-CG2 3.41Å
121	T	98.6	Very high	98.6	Very high	3 Å²	3	48.2 Å²	48.2	2%	0.018	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	21.5	-177.6	63.2	0	0	0	0	113.3	R119 P342 R345 A346	R119-T121 PolarHBondContact O-N 3.06Å; R119-T121 VanDerWaalsContact O-N 3.16Å; T121-P342 HydrophobicContact CG2-CB 4.12Å; T121-P342 WeakPolarHBondContact CG2-O 3.48Å; T121-R345 PolarHBondContact O-NE 2.91Å; T121-R345 PolarHBondContact OG1-NH2 2.9Å; T121-A346 HydrophobicContact CG2-CB 4.05Å
122	Q	98.6	Very high	98.6	Very high	93 Å²	93	48.5 Å²	48.5	44%	0.435	24%	0.241	S	C	.	.	S	Bend	trans	-107.8	150.3	175.7	-57.1	178.7	1.8	0	0	110.2	R119 S120 G124 H125	R119-Q122 VanDerWaalsContact O-CB 3.3Å; R119-Q122 WeakPolarHBondContact O-CB 3.21Å; R119-Q122 PolarHBondContact O-N 3.5Å; S120-Q122 VanDerWaalsContact C-N 3.26Å; S120-Q122 PolarHBondContact O-N 2.99Å; Q122-G124 PolarHBondContact O-N 2.97Å; Q122-H125 PolarHBondContact O-N 3.4Å; Q122-H125 VanDerWaalsContact O-N 3.13Å
123	R	98.2	Very high	98.6	Very high	139 Å²	139	43.9 Å²	43.9	53%	0.525	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.3	134.6	176.5	-172.6	-179.8	-176	154.2	0.3	110.7	L383 D384 T385 W386	R123-L383 PolarHBondContact NH2-O 3.43Å; R123-D384 PolarHBondContact NH1-O 2.83Å; R123-T385 WeakPolarHBondContact CD-O 3.47Å; R123-T385 PolarHBondContact NH1-O 2.84Å; R123-W386 HydrophobicContact CB-CE3 4.41Å
124	G	98.1	Very high	98.6	Very high	56 Å²	56	43.9 Å²	43.9	58%	0.577	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	89.5	-1.7	-178.3	0	0	0	0	0	115.4	Q122	Q122-G124 PolarHBondContact O-N 2.97Å
125	H	98.8	Very high	98.6	Very high	45 Å²	45	42.2 Å²	42.2	21%	0.208	21%	0.213	C	C	.	.	S	Bend	trans	-125.5	4.4	177.4	-57.8	84.1	0	0	0	113.2	Y109 F116 R119 Q122	Y109-H125 WeakPolarHBondContact CE1-O 3Å; Y109-H125 PolarHBondContact OH-O 3.32Å; F116-H125 HydrophobicContact CD2-CB 3.91Å; F116-H125 VanDerWaalsContact CD2-O 3.23Å; F116-H125 WeakPolarHBondContact CD2-O 3.21Å; F116-H125 WeakPolarHBondContact CE2-O 3.06Å; F116-H125 HydrophobicContact CG-CB 4.49Å; R119-H125 WeakPolarHBondContact O-CB 3.45Å; Q122-H125 PolarHBondContact O-N 3.4Å; Q122-H125 VanDerWaalsContact O-N 3.13Å
126	T	98.8	Very high	98.6	Very high	6 Å²	6	42 Å²	42	4%	0.037	21%	0.212	C	C	.	.			trans	-93.5	1.3	-174.4	48.3	0	0	0	0	114.5	Y109 S120 L128 L129 Y349 W386	Y109-T126 HydrophobicContact CE1-CG2 4.47Å; S120-T126 WeakPolarHBondContact O-CG2 3.41Å; T126-L128 PolarHBondContact O-N 3.01Å; T126-L128 VanDerWaalsContact O-N 3.07Å; T126-L129 VanDerWaalsContact O-CB 3.3Å; T126-L129 WeakPolarHBondContact O-CB 3.3Å; T126-L129 PolarHBondContact O-N 3.08Å; T126-Y349 HydrophobicContact CG2-CD2 4.17Å; T126-Y349 HydrophobicContact CG2-CG 4.13Å; T126-Y349 WeakPolarHBondContact O-CE1 3.41Å; T126-Y349 PolarHBondContact O-OH 3.47Å; T126-Y349 WeakPolarHBondContact OG1-CD2 3.33Å; T126-Y349 WeakPolarHBondContact OG1-CE2 3.33Å; T126-W386 HydrophobicContact CG2-CE3 4.29Å; T126-W386 HydrophobicContact CG2-CH2 4.44Å; T126-W386 HydrophobicContact CG2-CZ3 3.77Å
127	E	98.8	Very high	98.7	Very high	66 Å²	66	39.8 Å²	39.8	31%	0.308	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-18.6	-174.4	57.5	172.4	105.3	0	0	115.7	R47 F48	R47-E127 VanDerWaalsContact CD-OE2 3.28Å; R47-E127 WeakPolarHBondContact CD-OE2 3.34Å; R47-E127 IonicContact CZ-OE1 3.45Å; R47-E127 IonicContact CZ-OE2 3.08Å; R47-E127 IonicContact NE-OE1 3.43Å; R47-E127 PolarHBondContact NE-OE1 2.95Å; R47-E127 IonicContact NE-OE2 2.58Å; R47-E127 PolarHBondContact NE-OE2 3.26Å; R47-E127 IonicContact NH2-OE1 2.69Å; R47-E127 PolarHBondContact NH2-OE1 3.19Å; R47-E127 IonicContact NH2-OE2 3.13Å; R47-E127 PolarHBondContact NH2-OE2 3.07Å; R47-E127 VanDerWaalsContact NH2-OE2 3.13Å; F48-E127 WeakPolarHBondContact CE2-OE2 3.47Å
128	L	98.9	Very high	98.7	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.01	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	7.6	177.6	-53.9	178.4	0	0	0	112.7	L40 D41 F48 R108 Y109 F116 T126 T130	L40-L128 HydrophobicContact CB-CD1 3.98Å; L40-L128 HydrophobicContact CD2-CD1 4.41Å; L40-L128 WeakPolarHBondContact O-CD1 3.34Å; D41-L128 HydrophobicContact CB-CD2 3.84Å; D41-L128 WeakPolarHBondContact OD2-CD2 3.27Å; F48-L128 HydrophobicContact CD2-CD1 3.92Å; F48-L128 HydrophobicContact CD2-CD2 4.02Å; F48-L128 HydrophobicContact CD2-CG 4.43Å; F48-L128 HydrophobicContact CE2-CD1 3.75Å; F48-L128 HydrophobicContact CE2-CD2 3.7Å; F48-L128 HydrophobicContact CE2-CG 3.94Å; F48-L128 HydrophobicContact CG-CD1 4.43Å; F48-L128 HydrophobicContact CZ-CD1 4.13Å; F48-L128 HydrophobicContact CZ-CG 4.46Å; R108-L128 WeakPolarHBondContact CD-O 3.47Å; R108-L128 PolarHBondContact NH1-O 3.46Å; Y109-L128 VanDerWaalsContact CE2-C 3.5Å; Y109-L128 HydrophobicContact CE2-CB 4.05Å; Y109-L128 WeakPolarHBondContact OH-CB 3.33Å; Y109-L128 PolarHBondContact OH-N 3.31Å; F116-L128 HydrophobicContact CE2-CD1 4.02Å; F116-L128 HydrophobicContact CE2-CG 4.41Å; F116-L128 HydrophobicContact CZ-CD1 3.57Å; F116-L128 HydrophobicContact CZ-CG 4.29Å; T126-L128 PolarHBondContact O-N 3.01Å; T126-L128 VanDerWaalsContact O-N 3.07Å; L128-T130 PolarHBondContact O-N 3.14Å
129	L	98.9	Very high	98.8	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.149	C	C	.	.			trans	-94.5	88.1	178.1	-178.6	51.5	0	0	0	110.3	Y109 Y110 T126 A346 Y349 Q350	Y109-L129 HydrophobicContact CD1-CB 4.26Å; Y109-L129 HydrophobicContact CD1-CD2 4.2Å; Y109-L129 HydrophobicContact CD2-CB 3.62Å; Y109-L129 HydrophobicContact CD2-CD1 3.77Å; Y109-L129 HydrophobicContact CD2-CD2 4.36Å; Y109-L129 HydrophobicContact CD2-CG 4.1Å; Y109-L129 HydrophobicContact CE1-CB 4.29Å; Y109-L129 HydrophobicContact CE2-CB 3.63Å; Y109-L129 HydrophobicContact CG-CB 3.93Å; Y109-L129 HydrophobicContact CG-CD1 4.01Å; Y109-L129 HydrophobicContact CG-CD2 3.91Å; Y109-L129 HydrophobicContact CG-CG 4.16Å; Y110-L129 HydrophobicContact CE2-CD1 4.3Å; T126-L129 VanDerWaalsContact O-CB 3.3Å; T126-L129 WeakPolarHBondContact O-CB 3.3Å; T126-L129 PolarHBondContact O-N 3.08Å; L129-A346 HydrophobicContact CD2-CB 3.72Å; L129-A346 WeakPolarHBondContact CD2-O 3.49Å; L129-Y349 HydrophobicContact CB-CD1 3.95Å; L129-Y349 HydrophobicContact CB-CE1 4.1Å; L129-Y349 HydrophobicContact CD2-CD1 3.97Å; L129-Y349 HydrophobicContact CG-CD1 4.06Å; L129-Y349 WeakPolarHBondContact O-CE1 3.41Å; L129-Q350 HydrophobicContact CD1-CG 4.09Å; L129-Q350 HydrophobicContact CD2-CG 4.08Å; L129-Q350 HydrophobicContact CG-CG 3.78Å
130	T	99	Very high	98.8	Very high	30 Å²	30	25.7 Å²	25.7	18%	0.184	13%	0.134	C	C	.	.			trans	-134.5	161.9	171.8	80.2	0	0	0	0	110.5	L128 E132 Q133 A134 E354	L128-T130 PolarHBondContact O-N 3.14Å; T130-E132 VanDerWaalsContact C-N 3.32Å; T130-E132 PolarHBondContact O-N 2.78Å; T130-E132 PolarHBondContact OG1-N 2.69Å; T130-E132 PolarHBondContact OG1-OE2 2.84Å; T130-Q133 PolarHBondContact O-N 2.83Å; T130-Q133 WeakPolarHBondContact OG1-CG 3.33Å; T130-Q133 PolarHBondContact OG1-N 3.43Å; T130-Q133 VanDerWaalsContact OG1-N 3.16Å; T130-A134 PolarHBondContact O-N 3.3Å; T130-E354 WeakPolarHBondContact CA-OE2 3.01Å; T130-E354 WeakPolarHBondContact CB-OE2 3.29Å
131	V	98.9	Very high	98.8	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-60	-44.5	174.9	179.4	0	0	0	0	110.1	Q133 A134 L135 Y163 L167 Y170 E354 I355 L395 F399	V131-Q133 PolarHBondContact O-N 3.26Å; V131-A134 PolarHBondContact O-N 2.84Å; V131-L135 HydrophobicContact CG1-CD1 4.07Å; V131-L135 HydrophobicContact CG1-CG 4.28Å; V131-L135 WeakPolarHBondContact O-CG 3.48Å; V131-L135 PolarHBondContact O-N 2.98Å; V131-Y163 HydrophobicContact CG2-CE2 4.03Å; V131-L167 HydrophobicContact CG1-CD2 3.88Å; V131-Y170 HydrophobicContact CG1-CD2 3.95Å; V131-Y170 HydrophobicContact CG1-CE2 4.42Å; V131-E354 WeakPolarHBondContact CG2-OE2 3.25Å; V131-E354 PolarHBondContact N-OE2 2.81Å; V131-I355 HydrophobicContact CG2-CD1 3.91Å; V131-L395 HydrophobicContact CG2-CD1 4.27Å; V131-F399 HydrophobicContact CB-CE2 4.03Å; V131-F399 HydrophobicContact CB-CZ 4.06Å; V131-F399 HydrophobicContact CG1-CE1 4.28Å; V131-F399 HydrophobicContact CG1-CE2 3.76Å; V131-F399 HydrophobicContact CG1-CZ 3.51Å
132	E	98.9	Very high	98.8	Very high	28 Å²	28	25.6 Å²	25.6	13%	0.131	13%	0.134	C	C	.	.	H	α-helix	trans	-62.2	-41	-179.2	-63.7	80.1	-178.5	0	0	112.4	F43 T130 A134 L135 A136 E354 W394 S398 F399	F43-E132 HydrophobicContact CE2-CB 3.71Å; F43-E132 HydrophobicContact CZ-CB 3.73Å; T130-E132 VanDerWaalsContact C-N 3.32Å; T130-E132 PolarHBondContact O-N 2.78Å; T130-E132 PolarHBondContact OG1-N 2.69Å; T130-E132 PolarHBondContact OG1-OE2 2.84Å; E132-A134 VanDerWaalsContact C-N 3.35Å; E132-L135 PolarHBondContact O-N 2.77Å; E132-A136 WeakPolarHBondContact O-CB 3.47Å; E132-A136 PolarHBondContact O-N 3.36Å; E132-E354 VanDerWaalsContact OE2-OE1 3.06Å; E132-W394 PolarHBondContact OE1-NE1 2.91Å; E132-W394 VanDerWaalsContact OE1-NE1 3.16Å; E132-S398 WeakPolarHBondContact OE1-CB 3.4Å; E132-S398 PolarHBondContact OE1-OG 2.74Å; E132-F399 HydrophobicContact CG-CZ 4.08Å; E132-F399 WeakPolarHBondContact OE1-CE2 3.4Å
133	Q	98.9	Very high	98.8	Very high	9 Å²	9	28 Å²	28	4%	0.042	14%	0.139	C	C	.	.	H	α-helix	trans	-62.9	-42.1	176.8	-74.4	-79.1	17.7	0	0	111.3	D41 H42 F43 T130 V131 A136 D137	D41-Q133 PolarHBondContact OD1-NE2 3.25Å; H42-Q133 PolarHBondContact CD2-OE1 2.99Å; H42-Q133 VanDerWaalsContact CD2-OE1 3.26Å; F43-Q133 HydrophobicContact CD2-CG 3.99Å; F43-Q133 HydrophobicContact CE2-CG 4.09Å; T130-Q133 PolarHBondContact O-N 2.83Å; T130-Q133 WeakPolarHBondContact OG1-CG 3.33Å; T130-Q133 PolarHBondContact OG1-N 3.43Å; T130-Q133 VanDerWaalsContact OG1-N 3.16Å; V131-Q133 PolarHBondContact O-N 3.26Å; Q133-A136 PolarHBondContact O-N 3.16Å; Q133-D137 VanDerWaalsContact O-CG 3.26Å; Q133-D137 PolarHBondContact O-N 2.97Å
134	A	98.9	Very high	98.9	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-66.7	-40.7	175.7	0	0	0	0	0	112.7	H107 R108 T130 V131 E132 A136 D137 F138	H107-A134 WeakPolarHBondContact NE2-CB 3.39Å; R108-A134 HydrophobicContact CG-CB 4.34Å; T130-A134 PolarHBondContact O-N 3.3Å; V131-A134 PolarHBondContact O-N 2.84Å; E132-A134 VanDerWaalsContact C-N 3.35Å; A134-A136 VanDerWaalsContact C-N 3.34Å; A134-A136 PolarHBondContact O-N 2.73Å; A134-D137 WeakPolarHBondContact O-CB 3.28Å; A134-D137 PolarHBondContact O-N 3.05Å; A134-F138 HydrophobicContact CB-CE2 4.35Å; A134-F138 WeakPolarHBondContact O-CD2 3.49Å; A134-F138 VanDerWaalsContact O-CG 3.31Å; A134-F138 WeakPolarHBondContact O-CG 3.18Å; A134-F138 PolarHBondContact O-N 3.35Å
135	L	99	Very high	98.9	Very high	3 Å²	3	19.3 Å²	19.3	2%	0.016	9%	0.09	C	C	.	.	H	α-helix	trans	-63.8	-39.6	175.2	-67.3	177.8	0	0	0	112.1	V131 E132 D137 F138 A139 L167 L171 Y175 F399	V131-L135 HydrophobicContact CG1-CD1 4.07Å; V131-L135 HydrophobicContact CG1-CG 4.28Å; V131-L135 WeakPolarHBondContact O-CG 3.48Å; V131-L135 PolarHBondContact O-N 2.98Å; E132-L135 PolarHBondContact O-N 2.77Å; L135-D137 VanDerWaalsContact C-N 3.32Å; L135-F138 HydrophobicContact CD2-CD2 4.39Å; L135-F138 PolarHBondContact O-N 3.07Å; L135-A139 WeakPolarHBondContact O-CB 3.31Å; L135-A139 PolarHBondContact O-N 3.31Å; L135-L167 HydrophobicContact CD2-CB 4.35Å; L135-L167 HydrophobicContact CD2-CD2 3.78Å; L135-L167 WeakPolarHBondContact CD2-O 3.33Å; L135-L167 HydrophobicContact CG-CD2 4.16Å; L135-L171 HydrophobicContact CD2-CB 3.95Å; L135-L171 HydrophobicContact CD2-CD1 4.39Å; L135-Y175 HydrophobicContact CB-CE2 4.14Å; L135-F399 HydrophobicContact CD1-CE1 3.51Å; L135-F399 HydrophobicContact CD1-CZ 3.88Å
136	A	98.9	Very high	98.9	Very high	7 Å²	7	18.3 Å²	18.3	6%	0.058	8%	0.084	C	C	.	.	H	α-helix	trans	-64.6	-37.2	174.2	0	0	0	0	0	111.7	H42 F43 E132 Q133 A134 A139 E140	H42-A136 HydrophobicContact CB-CB 3.79Å; H42-A136 VanDerWaalsContact CD2-CB 3.45Å; H42-A136 WeakPolarHBondContact CD2-CB 3.39Å; H42-A136 VanDerWaalsContact CG-CB 3.48Å; F43-A136 HydrophobicContact CE2-CB 4.28Å; F43-A136 HydrophobicContact CZ-CB 4.12Å; E132-A136 WeakPolarHBondContact O-CB 3.47Å; E132-A136 PolarHBondContact O-N 3.36Å; Q133-A136 PolarHBondContact O-N 3.16Å; A134-A136 VanDerWaalsContact C-N 3.34Å; A134-A136 PolarHBondContact O-N 2.73Å; A136-A139 PolarHBondContact O-N 3.09Å; A136-E140 PolarHBondContact O-N 3.45Å
137	D	98.9	Very high	98.9	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-58.4	-51.5	173	-70.1	-20.5	0	0	0	112	Q38 H42 R108 Q133 A134 L135 A139 E140 L141	Q38-D137 HydrophobicContact CG-CB 4.08Å; Q38-D137 WeakPolarHBondContact CG-OD1 3.28Å; Q38-D137 PolarHBondContact NE2-O 3.42Å; H42-D137 IonicContact CD2-OD1 3.69Å; H42-D137 PolarHBondContact CD2-OD1 3.29Å; H42-D137 IonicContact CE1-OD1 3.72Å; H42-D137 IonicContact NE2-OD1 3.82Å; H42-D137 PolarHBondContact NE2-OD1 2.89Å; R108-D137 IonicContact CZ-OD1 3.83Å; R108-D137 IonicContact CZ-OD2 3.57Å; R108-D137 IonicContact NE-OD1 3.78Å; R108-D137 IonicContact NE-OD2 3.58Å; R108-D137 PolarHBondContact NE-OD2 2.92Å; R108-D137 VanDerWaalsContact NH2-CG 3.31Å; R108-D137 IonicContact NH2-OD1 3.37Å; R108-D137 PolarHBondContact NH2-OD1 3.03Å; R108-D137 IonicContact NH2-OD2 3.96Å; R108-D137 PolarHBondContact NH2-OD2 3.25Å; Q133-D137 VanDerWaalsContact O-CG 3.26Å; Q133-D137 PolarHBondContact O-N 2.97Å; A134-D137 WeakPolarHBondContact O-CB 3.28Å; A134-D137 PolarHBondContact O-N 3.05Å; L135-D137 VanDerWaalsContact C-N 3.32Å; D137-A139 VanDerWaalsContact C-N 3.28Å; D137-A139 PolarHBondContact O-N 3.35Å; D137-E140 PolarHBondContact O-N 2.87Å; D137-L141 WeakPolarHBondContact O-CB 3.18Å; D137-L141 PolarHBondContact O-N 3.17Å
138	F	99	Very high	98.9	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-60.9	-39.6	179	-58.7	-37.5	0	0	0	111.6	F73 T75 G76 A105 A134 L135 L142 L167 L171	F73-F138 HydrophobicContact CE1-CB 3.75Å; F73-F138 AromaticContact CE1-CD1 3.86Å; F73-F138 HydrophobicContact CE1-CD1 3.86Å; F73-F138 AromaticContact CE1-CG 3.88Å; F73-F138 HydrophobicContact CE1-CG 3.88Å; F73-F138 HydrophobicContact CZ-CB 3.95Å; F73-F138 AromaticContact CZ-CD1 3.94Å; F73-F138 HydrophobicContact CZ-CD1 3.94Å; F73-F138 HydrophobicContact CZ-CG 4.23Å; T75-F138 HydrophobicContact CG2-CD2 3.82Å; T75-F138 HydrophobicContact CG2-CE2 4.07Å; T75-F138 HydrophobicContact CG2-CG 4.33Å; G76-F138 WeakPolarHBondContact O-CZ 3.14Å; A105-F138 HydrophobicContact CB-CD1 3.7Å; A105-F138 HydrophobicContact CB-CE1 3.75Å; A134-F138 HydrophobicContact CB-CE2 4.35Å; A134-F138 WeakPolarHBondContact O-CD2 3.49Å; A134-F138 VanDerWaalsContact O-CG 3.31Å; A134-F138 WeakPolarHBondContact O-CG 3.18Å; A134-F138 PolarHBondContact O-N 3.35Å; L135-F138 HydrophobicContact CD2-CD2 4.39Å; L135-F138 PolarHBondContact O-N 3.07Å; F138-L142 WeakPolarHBondContact O-CB 3.24Å; F138-L142 WeakPolarHBondContact O-CG 3.47Å; F138-L142 PolarHBondContact O-N 3.43Å; F138-L167 HydrophobicContact CE2-CB 4.5Å; F138-L167 HydrophobicContact CE2-CD1 4.15Å; F138-L167 HydrophobicContact CE2-CD2 4.37Å; F138-L171 HydrophobicContact CB-CD1 4.31Å; F138-L171 HydrophobicContact CB-CD2 4.21Å
139	A	98.9	Very high	98.8	Very high	6 Å²	6	29.9 Å²	29.9	5%	0.05	14%	0.137	C	C	.	.	H	α-helix	trans	-62.8	-47.4	176.3	0	0	0	0	0	112.3	L135 A136 D137 R143 Y175 L178	L135-A139 WeakPolarHBondContact O-CB 3.31Å; L135-A139 PolarHBondContact O-N 3.31Å; A136-A139 PolarHBondContact O-N 3.09Å; D137-A139 VanDerWaalsContact C-N 3.28Å; D137-A139 PolarHBondContact O-N 3.35Å; A139-R143 WeakPolarHBondContact O-CG 3.3Å; A139-R143 PolarHBondContact O-N 3.38Å; A139-R143 VanDerWaalsContact O-N 3.12Å; A139-Y175 HydrophobicContact CB-CD1 3.92Å; A139-Y175 HydrophobicContact CB-CE1 3.95Å; A139-Y175 HydrophobicContact CB-CG 4.23Å; A139-L178 HydrophobicContact CB-CD1 3.53Å
140	E	98.9	Very high	98.7	Very high	47 Å²	47	32.4 Å²	32.4	22%	0.22	16%	0.163	C	C	.	.	H	α-helix	trans	-66.4	-40.6	177.7	-71	-154.7	166.1	0	0	112.2	Q38 R39 H42 A136 D137 R143 A144	Q38-E140 PolarHBondContact OE1-OE2 2.84Å; R39-E140 IonicContact CZ-OE1 3.41Å; R39-E140 IonicContact NE-OE1 3.69Å; R39-E140 IonicContact NE-OE2 3.83Å; R39-E140 IonicContact NH1-OE1 2.73Å; R39-E140 PolarHBondContact NH1-OE1 3.39Å; H42-E140 VanDerWaalsContact CE1-CD 3.45Å; H42-E140 IonicContact CE1-OE1 3.9Å; H42-E140 IonicContact CE1-OE2 2.78Å; H42-E140 IonicContact ND1-OE1 3.62Å; A136-E140 PolarHBondContact O-N 3.45Å; D137-E140 PolarHBondContact O-N 2.87Å; E140-R143 PolarHBondContact O-N 3.39Å; E140-A144 PolarHBondContact O-N 2.85Å
141	L	98.9	Very high	98.6	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	16%	0.157	C	C	.	.	H	α-helix	trans	-62.4	-47.1	176.5	179.1	60.5	0	0	0	111.6	F36 F57 F73 A105 D137 R143 A144 L145	F36-L141 HydrophobicContact CB-CD1 3.67Å; F36-L141 HydrophobicContact CD1-CB 4.41Å; F36-L141 HydrophobicContact CD1-CD1 4.03Å; F36-L141 HydrophobicContact CD2-CD1 4.24Å; F36-L141 HydrophobicContact CG-CD1 3.71Å; F57-L141 HydrophobicContact CB-CD2 4.07Å; F57-L141 HydrophobicContact CD1-CD1 4.11Å; F57-L141 HydrophobicContact CD1-CD2 4.42Å; F57-L141 HydrophobicContact CE1-CD1 4.17Å; F57-L141 HydrophobicContact CG-CD2 4.25Å; F73-L141 HydrophobicContact CE2-CD2 4.07Å; F73-L141 HydrophobicContact CE2-CG 4.36Å; F73-L141 HydrophobicContact CZ-CD2 4.13Å; A105-L141 HydrophobicContact CB-CD2 3.65Å; D137-L141 WeakPolarHBondContact O-CB 3.18Å; D137-L141 PolarHBondContact O-N 3.17Å; L141-R143 VanDerWaalsContact C-N 3.29Å; L141-R143 PolarHBondContact O-N 3.06Å; L141-A144 PolarHBondContact O-N 3.48Å; L141-A144 VanDerWaalsContact O-N 3.14Å; L141-L145 HydrophobicContact CD1-CD1 4.1Å; L141-L145 HydrophobicContact CD1-CG 4.09Å; L141-L145 HydrophobicContact CG-CD1 3.89Å; L141-L145 HydrophobicContact CG-CG 4.36Å; L141-L145 WeakPolarHBondContact O-CB 3.47Å; L141-L145 WeakPolarHBondContact O-CG 3.27Å; L141-L145 PolarHBondContact O-N 2.85Å
142	L	98.9	Very high	98.5	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-57.7	-42	175.2	-86.2	167.6	0	0	0	111.7	I71 F73 F138 R146 A156 L171 V179	I71-L142 HydrophobicContact CG2-CD2 4.31Å; F73-L142 HydrophobicContact CB-CD2 4.22Å; F73-L142 HydrophobicContact CD1-CD1 4.4Å; F73-L142 HydrophobicContact CD2-CD1 4.37Å; F73-L142 HydrophobicContact CD2-CD2 3.47Å; F73-L142 VanDerWaalsContact CD2-CD2 3.47Å; F73-L142 HydrophobicContact CD2-CG 3.74Å; F73-L142 HydrophobicContact CE2-CD2 3.97Å; F73-L142 HydrophobicContact CE2-CG 3.76Å; F73-L142 HydrophobicContact CG-CD1 4.3Å; F73-L142 HydrophobicContact CG-CD2 3.92Å; F73-L142 HydrophobicContact CG-CG 4.16Å; F73-L142 HydrophobicContact CZ-CG 4.2Å; F138-L142 WeakPolarHBondContact O-CB 3.24Å; F138-L142 WeakPolarHBondContact O-CG 3.47Å; F138-L142 PolarHBondContact O-N 3.43Å; L142-R146 WeakPolarHBondContact O-CG 3.49Å; L142-R146 PolarHBondContact O-N 3.36Å; L142-A156 HydrophobicContact CD2-CB 3.95Å; L142-L171 HydrophobicContact CD1-CD2 4.22Å; L142-V179 HydrophobicContact CD1-CG1 3.55Å
143	R	98.9	Very high	98.3	Very high	143 Å²	143	40.8 Å²	40.8	54%	0.54	21%	0.205	S	C	.	.	H	α-helix	trans	-65.6	-39.9	176.4	-70.8	-176.9	73.9	-169.1	3.2	111.9	A139 E140 L141 R147 L178	A139-R143 WeakPolarHBondContact O-CG 3.3Å; A139-R143 PolarHBondContact O-N 3.38Å; A139-R143 VanDerWaalsContact O-N 3.12Å; E140-R143 PolarHBondContact O-N 3.39Å; L141-R143 VanDerWaalsContact C-N 3.29Å; L141-R143 PolarHBondContact O-N 3.06Å; R143-R147 WeakPolarHBondContact O-CG 3.39Å; R143-R147 PolarHBondContact O-N 2.86Å; R143-R147 PolarHBondContact O-NH1 2.93Å; R143-L178 HydrophobicContact CG-CD1 4.24Å; R143-L178 HydrophobicContact CG-CD2 3.67Å
144	A	98.8	Very high	98.2	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.008	21%	0.207	C	C	.	.	H	α-helix	trans	-64.7	-50.9	176.7	0	0	0	0	0	111.3	F36 E140 L141 R146 R147 D148	F36-A144 HydrophobicContact CD2-CB 4.16Å; F36-A144 HydrophobicContact CE2-CB 3.46Å; F36-A144 VanDerWaalsContact CE2-CB 3.46Å; F36-A144 HydrophobicContact CZ-CB 3.87Å; E140-A144 PolarHBondContact O-N 2.85Å; L141-A144 PolarHBondContact O-N 3.48Å; L141-A144 VanDerWaalsContact O-N 3.14Å; A144-R146 VanDerWaalsContact C-N 3.3Å; A144-R146 PolarHBondContact O-N 3.11Å; A144-R147 PolarHBondContact O-N 3.16Å; A144-D148 WeakPolarHBondContact O-CB 3.22Å; A144-D148 VanDerWaalsContact O-CG 3.24Å; A144-D148 PolarHBondContact O-N 2.91Å
145	L	98.7	Very high	98.2	Very high	12 Å²	12	41 Å²	41	6%	0.063	21%	0.208	C	C	.	.	H	α-helix	trans	-55.2	-44.6	177.7	-71.4	167.8	0	0	0	112.2	F57 F73 V103 L141 R147 D148 L149	F57-L145 HydrophobicContact CE2-CD2 3.93Å; F57-L145 HydrophobicContact CZ-CD2 4.15Å; F73-L145 HydrophobicContact CE2-CD1 4.42Å; V103-L145 HydrophobicContact CG1-CD1 3.89Å; V103-L145 HydrophobicContact CG2-CD1 4.04Å; L141-L145 HydrophobicContact CD1-CD1 4.1Å; L141-L145 HydrophobicContact CD1-CG 4.09Å; L141-L145 HydrophobicContact CG-CD1 3.89Å; L141-L145 HydrophobicContact CG-CG 4.36Å; L141-L145 WeakPolarHBondContact O-CB 3.47Å; L141-L145 WeakPolarHBondContact O-CG 3.27Å; L141-L145 PolarHBondContact O-N 2.85Å; L145-R147 VanDerWaalsContact C-N 3.33Å; L145-R147 PolarHBondContact O-N 3.22Å; L145-D148 PolarHBondContact O-N 2.99Å; L145-L149 HydrophobicContact CB-CD1 4.5Å; L145-L149 HydrophobicContact CD2-CD1 4.32Å; L145-L149 WeakPolarHBondContact O-CB 3.38Å; L145-L149 VanDerWaalsContact O-CG 3.28Å; L145-L149 WeakPolarHBondContact O-CG 3.19Å; L145-L149 PolarHBondContact O-N 3.49Å
146	R	98.6	Very high	98.2	Very high	24 Å²	24	40.8 Å²	40.8	9%	0.091	21%	0.207	C	C	.	.	H	α-helix	trans	-60.6	-40.2	176	-76.8	-166.4	175.9	107.9	-4.7	113.2	I71 L142 A144 G150 A151 A154 A156 L178	I71-R146 HydrophobicContact CD1-CG 4Å; L142-R146 WeakPolarHBondContact O-CG 3.49Å; L142-R146 PolarHBondContact O-N 3.36Å; A144-R146 VanDerWaalsContact C-N 3.3Å; A144-R146 PolarHBondContact O-N 3.11Å; R146-G150 PolarHBondContact O-N 3.24Å; R146-A151 VanDerWaalsContact CG-O 3.3Å; R146-A151 WeakPolarHBondContact CG-O 3.37Å; R146-A151 PolarHBondContact O-N 3.01Å; R146-A154 PolarHBondContact NE-O 2.95Å; R146-A154 PolarHBondContact NH2-O 2.61Å; R146-A156 VanDerWaalsContact NH2-CB 3.3Å; R146-L178 VanDerWaalsContact CZ-O 3.29Å; R146-L178 PolarHBondContact NH1-O 2.91Å; R146-L178 PolarHBondContact NH2-O 3.44Å
147	R	98.5	Very high	98.2	Very high	135 Å²	135	40.5 Å²	40.5	51%	0.509	20%	0.204	S	C	.	.	H	α-helix	trans	-69.5	-50.5	177.5	-70.4	-172.9	-53.5	-92	4	111.1	R143 A144 L145 L149 G150	R143-R147 WeakPolarHBondContact O-CG 3.39Å; R143-R147 PolarHBondContact O-N 2.86Å; R143-R147 PolarHBondContact O-NH1 2.93Å; A144-R147 PolarHBondContact O-N 3.16Å; L145-R147 VanDerWaalsContact C-N 3.33Å; L145-R147 PolarHBondContact O-N 3.22Å; R147-L149 VanDerWaalsContact C-N 3.32Å; R147-L149 PolarHBondContact O-N 3.35Å; R147-G150 PolarHBondContact O-N 3.01Å
148	D	98.3	Very high	98.2	Very high	124 Å²	124	40.5 Å²	40.5	66%	0.663	20%	0.204	S	C	*	.	H	α-helix	trans	-72.1	-29.2	-169.7	-62.1	-7.3	0	0	0	111.9	A144 L145	A144-D148 WeakPolarHBondContact O-CB 3.22Å; A144-D148 VanDerWaalsContact O-CG 3.24Å; A144-D148 PolarHBondContact O-N 2.91Å; L145-D148 PolarHBondContact O-N 2.99Å
149	L	97.7	Very high	98.2	Very high	58 Å²	58	40.5 Å²	40.5	30%	0.304	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-2	176.9	-57.5	176.4	0	0	0	113.7	W64 L101 L145 R147 A151	W64-L149 HydrophobicContact CH2-CB 3.98Å; W64-L149 HydrophobicContact CZ3-CB 4.29Å; W64-L149 HydrophobicContact CZ3-CD1 4.41Å; L101-L149 HydrophobicContact CD2-CD1 3.59Å; L145-L149 HydrophobicContact CB-CD1 4.5Å; L145-L149 HydrophobicContact CD2-CD1 4.32Å; L145-L149 WeakPolarHBondContact O-CB 3.38Å; L145-L149 VanDerWaalsContact O-CG 3.28Å; L145-L149 WeakPolarHBondContact O-CG 3.19Å; L145-L149 PolarHBondContact O-N 3.49Å; R147-L149 VanDerWaalsContact C-N 3.32Å; R147-L149 PolarHBondContact O-N 3.35Å; L149-A151 VanDerWaalsContact C-N 3.32Å; L149-A151 HydrophobicContact CB-CB 4.35Å
150	G	97.3	Very high	98.2	Very high	52 Å²	52	40.2 Å²	40.2	54%	0.536	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.5	38.7	-174.6	0	0	0	0	0	113	R146 R147 Q152	R146-G150 PolarHBondContact O-N 3.24Å; R147-G150 PolarHBondContact O-N 3.01Å; G150-Q152 PolarHBondContact O-OE1 3.49Å
151	A	97	Very high	98.2	Very high	8 Å²	8	38 Å²	38	7%	0.066	19%	0.192	C	C	.	.			trans	-117	37.9	-173.9	0	0	0	0	0	111.9	W64 R146 L149 D153 A154	W64-A151 HydrophobicContact CH2-CB 4.05Å; W64-A151 HydrophobicContact CZ2-CB 3.83Å; R146-A151 VanDerWaalsContact CG-O 3.3Å; R146-A151 WeakPolarHBondContact CG-O 3.37Å; R146-A151 PolarHBondContact O-N 3.01Å; L149-A151 VanDerWaalsContact C-N 3.32Å; L149-A151 HydrophobicContact CB-CB 4.35Å; A151-D153 PolarHBondContact O-N 3.08Å; A151-A154 HydrophobicContact CB-CB 3.94Å; A151-A154 WeakPolarHBondContact O-CB 3.47Å; A151-A154 PolarHBondContact O-N 3.25Å
152	Q	95.9	Very high	98.2	Very high	106 Å²	106	38.7 Å²	38.7	50%	0.495	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-38.8	-175.7	-69.1	79.2	1.2	0	0	112.6	G150	G150-Q152 PolarHBondContact O-OE1 3.49Å
153	D	94.8	Very high	98.2	Very high	120 Å²	120	38.7 Å²	38.7	64%	0.642	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.7	5	-177.2	-54.1	-38.2	0	0	0	112.8	A151 P155 Q480	A151-D153 PolarHBondContact O-N 3.08Å; D153-P155 WeakPolarHBondContact O-CD 3.29Å; D153-Q480 PolarHBondContact O-OE1 3.21Å
154	A	97.9	Very high	98.2	Very high	10 Å²	10	31.9 Å²	31.9	8%	0.083	17%	0.171	C	C	.	.			trans	-74.3	117.5	178.1	0	0	0	0	0	110.3	I71 R146 A151 A156	I71-A154 HydrophobicContact CD1-CB 4.21Å; I71-A154 HydrophobicContact CG1-CB 4.11Å; R146-A154 PolarHBondContact NE-O 2.95Å; R146-A154 PolarHBondContact NH2-O 2.61Å; A151-A154 HydrophobicContact CB-CB 3.94Å; A151-A154 WeakPolarHBondContact O-CB 3.47Å; A151-A154 PolarHBondContact O-N 3.25Å; A154-A156 PolarHBondContact O-N 2.96Å
155	P	98.5	Very high	98.2	Very high	3 Å²	3	31.9 Å²	31.9	2%	0.019	17%	0.171	C	C	.	.			trans	-61.3	139.7	172.6	-19.9	33.6	0	0	0	109.6	P70 I71 D153 A180 V473 A476 R477	P70-P155 CarbonylContact C-O 3.54Å; P70-P155 VanDerWaalsContact CA-O 3.24Å; P70-P155 WeakPolarHBondContact CA-O 3.48Å; P70-P155 VanDerWaalsContact CB-O 3.23Å; P70-P155 WeakPolarHBondContact CB-O 3.4Å; I71-P155 PolarHBondContact N-O 2.85Å; D153-P155 WeakPolarHBondContact O-CD 3.29Å; P155-A180 HydrophobicContact CB-CB 4.29Å; P155-V473 HydrophobicContact CG-CG1 4.32Å; P155-A476 HydrophobicContact CB-CB 3.82Å; P155-A476 HydrophobicContact CG-CB 3.85Å; P155-R477 HydrophobicContact CG-CG 3.8Å
156	A	98.9	Very high	98.2	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	141.1	173.8	0	0	0	0	0	110.5	I71 L142 R146 A154 V179 A180	I71-A156 HydrophobicContact CB-CB 4.06Å; I71-A156 CarbonylContact O-C 3.54Å; I71-A156 WeakPolarHBondContact O-CA 3.38Å; L142-A156 HydrophobicContact CD2-CB 3.95Å; R146-A156 VanDerWaalsContact NH2-CB 3.3Å; A154-A156 PolarHBondContact O-N 2.96Å; A156-V179 HydrophobicContact CB-CG1 4.11Å; A156-V179 CarbonylContact O-C 3.57Å; A156-V179 WeakPolarHBondContact O-CA 3.35Å; A156-A180 PolarHBondContact O-N 3.22Å
157	I	98.9	Very high	98.2	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	127.3	173.9	-55.5	-64.9	0	0	0	107.6	I71 F72 F73 F159 A180 G181 I469 W472 V473	I71-I157 PolarHBondContact O-N 3.45Å; F72-I157 HydrophobicContact CD1-CB 4.11Å; F72-I157 HydrophobicContact CD1-CG1 4.39Å; F72-I157 HydrophobicContact CE1-CB 4.31Å; F72-I157 HydrophobicContact CE1-CG1 4.2Å; F73-I157 PolarHBondContact N-O 3.28Å; I157-F159 HydrophobicContact CB-CE2 3.77Å; I157-F159 HydrophobicContact CB-CZ 4.29Å; I157-F159 HydrophobicContact CG2-CD2 4.22Å; I157-F159 HydrophobicContact CG2-CE2 3.54Å; I157-F159 HydrophobicContact CG2-CZ 3.73Å; I157-F159 WeakPolarHBondContact O-CD2 3.23Å; I157-A180 HydrophobicContact CD1-CB 4.07Å; I157-G181 WeakPolarHBondContact CA-O 3.47Å; I157-I469 HydrophobicContact CG1-CG2 4.06Å; I157-I469 HydrophobicContact CG2-CG1 4.37Å; I157-I469 HydrophobicContact CG2-CG2 4.14Å; I157-W472 HydrophobicContact CD1-CB 4.2Å; I157-W472 HydrophobicContact CD1-CE3 4.3Å; I157-V473 HydrophobicContact CD1-CG2 4.08Å; I157-V473 HydrophobicContact CG1-CG2 3.86Å
158	A	98.9	Very high	98.2	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	138.1	178.1	0	0	0	0	0	110.6	F73 L171 G181 A182 L183	F73-A158 CarbonylContact O-C 3.54Å; F73-A158 VanDerWaalsContact O-CA 3.32Å; F73-A158 WeakPolarHBondContact O-CA 3.47Å; A158-L171 HydrophobicContact CB-CD2 4.3Å; A158-G181 PolarHBondContact N-O 3.28Å; A158-A182 HydrophobicContact CB-CB 4.11Å; A158-A182 CarbonylContact O-C 3.56Å; A158-A182 VanDerWaalsContact O-CA 3.25Å; A158-A182 WeakPolarHBondContact O-CA 3.39Å; A158-L183 PolarHBondContact O-N 3.05Å
159	F	99	Very high	98.3	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	143.4	176.8	-65.6	-97	0	0	0	110.6	F72 F73 Y74 T75 I91 L94 I157 S168 L183 I469	F72-F159 HydrophobicContact CB-CD2 4.14Å; F72-F159 HydrophobicContact CB-CE2 3.64Å; F72-F159 HydrophobicContact CB-CZ 4.5Å; F72-F159 AromaticContact CD1-CE2 3.65Å; F72-F159 HydrophobicContact CD1-CE2 3.65Å; F72-F159 HydrophobicContact CD1-CZ 4.08Å; F72-F159 AromaticContact CD2-CE2 3.97Å; F72-F159 HydrophobicContact CD2-CE2 3.97Å; F72-F159 HydrophobicContact CD2-CZ 4.01Å; F72-F159 HydrophobicContact CE1-CE2 4.26Å; F72-F159 HydrophobicContact CE1-CZ 4.26Å; F72-F159 HydrophobicContact CE2-CZ 4.21Å; F72-F159 HydrophobicContact CG-CD2 4.43Å; F72-F159 AromaticContact CG-CE2 3.48Å; F72-F159 HydrophobicContact CG-CE2 3.48Å; F72-F159 VanDerWaalsContact CG-CE2 3.48Å; F72-F159 AromaticContact CG-CZ 3.95Å; F72-F159 HydrophobicContact CG-CZ 3.95Å; F72-F159 HydrophobicContact CZ-CZ 4.33Å; F73-F159 PolarHBondContact O-N 3.24Å; Y74-F159 CarbonylContact C-O 3.47Å; Y74-F159 VanDerWaalsContact CA-O 3.24Å; Y74-F159 WeakPolarHBondContact CA-O 3.25Å; Y74-F159 HydrophobicContact CD2-CB 4.15Å; Y74-F159 WeakPolarHBondContact CD2-O 3.49Å; T75-F159 PolarHBondContact N-O 3.31Å; T75-F159 PolarHBondContact OG1-O 2.92Å; I91-F159 HydrophobicContact CD1-CB 3.52Å; I91-F159 HydrophobicContact CD1-CD1 4.04Å; I91-F159 HydrophobicContact CD1-CG 3.86Å; I91-F159 HydrophobicContact CG1-CB 4.29Å; I91-F159 HydrophobicContact CG1-CD1 3.86Å; I91-F159 HydrophobicContact CG1-CE1 4.4Å; I91-F159 HydrophobicContact CG1-CG 4.11Å; I91-F159 HydrophobicContact CG2-CD1 4.47Å; I91-F159 HydrophobicContact CG2-CD2 4.2Å; I91-F159 HydrophobicContact CG2-CE2 4.35Å; I91-F159 HydrophobicContact CG2-CG 4.27Å; L94-F159 HydrophobicContact CD2-CE1 4.32Å; L94-F159 HydrophobicContact CD2-CZ 4.18Å; I157-F159 HydrophobicContact CB-CE2 3.77Å; I157-F159 HydrophobicContact CB-CZ 4.29Å; I157-F159 HydrophobicContact CG2-CD2 4.22Å; I157-F159 HydrophobicContact CG2-CE2 3.54Å; I157-F159 HydrophobicContact CG2-CZ 3.73Å; I157-F159 WeakPolarHBondContact O-CD2 3.23Å; F159-S168 WeakPolarHBondContact CA-OG 3.42Å; F159-S168 PolarHBondContact N-OG 2.8Å; F159-S168 PolarHBondContact O-OG 2.77Å; F159-L183 HydrophobicContact CD1-CB 3.88Å; F159-L183 HydrophobicContact CD1-CD2 3.96Å; F159-L183 HydrophobicContact CD1-CG 4.42Å; F159-L183 HydrophobicContact CE1-CB 4.19Å; F159-L183 HydrophobicContact CE1-CD2 4.1Å; F159-I469 HydrophobicContact CE1-CD1 3.72Å; F159-I469 HydrophobicContact CZ-CD1 3.92Å
160	G	98.9	Very high	98.3	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.9	150.2	172.3	0	0	0	0	0	112.9	G164 G165 S168 L183 A185	G160-G164 VanDerWaalsContact CA-C 3.46Å; G160-G165 VanDerWaalsContact C-CA 3.45Å; G160-G165 WeakPolarHBondContact O-CA 3.12Å; G160-G165 PolarHBondContact O-N 2.97Å; G160-S168 PolarHBondContact N-OG 3.43Å; G160-L183 PolarHBondContact N-O 2.93Å; G160-A185 PolarHBondContact O-N 2.95Å
161	G	98.8	Very high	98.4	Very high	1 Å²	1	12.9 Å²	12.9	1%	0.01	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	150.7	172.3	0	0	0	0	0	110.6	Y74 Y163 G164 G165 A185	Y74-G161 PolarHBondContact OH-N 3Å; G161-Y163 PolarHBondContact O-N 2.99Å; G161-G164 VanDerWaalsContact O-CA 3.23Å; G161-G164 WeakPolarHBondContact O-CA 3.38Å; G161-G164 PolarHBondContact O-N 3Å; G161-G165 PolarHBondContact O-N 3.03Å; G161-A185 CarbonylContact C-O 3.6Å; G161-A185 VanDerWaalsContact CA-O 3.27Å; G161-A185 WeakPolarHBondContact CA-O 3.44Å
162	S	98.8	Very high	98.5	Very high	15 Å²	15	13.7 Å²	13.7	11%	0.105	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.2	-132.6	177.7	-167.1	0	0	0	0	112.1	G164 G165 M166 A185 H443	S162-G164 PolarHBondContact O-N 2.73Å; S162-G165 WeakPolarHBondContact O-CA 3.21Å; S162-G165 PolarHBondContact O-N 3.16Å; S162-M166 PolarHBondContact O-N 2.67Å; S162-M166 VanDerWaalsContact O-N 3.14Å; S162-A185 PolarHBondContact N-O 2.79Å; S162-H443 VanDerWaalsContact CB-NE2 3.29Å; S162-H443 WeakPolarHBondContact CB-NE2 3.24Å; S162-H443 PolarHBondContact OG-NE2 3.18Å
163	Y	98.9	Very high	98.7	Very high	1 Å²	1	9.4 Å²	9.4	0%	0.004	5%	0.051	C	C	.	.	H	α-helix	trans	-56	-32	168.8	170.8	-132.6	0	0	0	112.5	N77 E78 H107 V131 G161 G165 M166 L167 W347 Q350	N77-Y163 HydrophobicContact CB-CD1 3.73Å; N77-Y163 HydrophobicContact CB-CE1 4.48Å; N77-Y163 HydrophobicContact CB-CG 4.27Å; E78-Y163 HydrophobicContact CB-CD1 4.47Å; E78-Y163 VanDerWaalsContact OE2-CB 3.27Å; E78-Y163 WeakPolarHBondContact OE2-CB 3.38Å; E78-Y163 WeakPolarHBondContact OE2-CD1 3.35Å; H107-Y163 AromaticContact CD2-CE1 3.75Å; H107-Y163 AromaticContact NE2-CE1 3.47Å; H107-Y163 WeakPolarHBondContact NE2-CE1 3.43Å; H107-Y163 AromaticContact NE2-CZ 3.52Å; H107-Y163 PolarHBondContact NE2-OH 3.39Å; V131-Y163 HydrophobicContact CG2-CE2 4.03Å; G161-Y163 PolarHBondContact O-N 2.99Å; Y163-G165 PolarHBondContact O-N 2.96Å; Y163-M166 HydrophobicContact CD2-CB 4.27Å; Y163-M166 HydrophobicContact CD2-CE 3.9Å; Y163-M166 HydrophobicContact CD2-SD 4.05Å; Y163-M166 HydrophobicContact CE2-CE 4.44Å; Y163-M166 VanDerWaalsContact O-CB 3.31Å; Y163-M166 WeakPolarHBondContact O-CB 3.42Å; Y163-M166 PolarHBondContact O-N 3.36Å; Y163-M166 VanDerWaalsContact O-N 3.12Å; Y163-L167 HydrophobicContact CD1-CD1 4.1Å; Y163-L167 HydrophobicContact CD2-CD1 4.3Å; Y163-L167 HydrophobicContact CD2-CG 4.08Å; Y163-L167 HydrophobicContact CE1-CD1 3.7Å; Y163-L167 HydrophobicContact CE1-CG 4.33Å; Y163-L167 HydrophobicContact CE2-CD1 3.93Å; Y163-L167 HydrophobicContact CE2-CD2 3.83Å; Y163-L167 HydrophobicContact CE2-CG 3.63Å; Y163-L167 HydrophobicContact CG-CD1 4.36Å; Y163-L167 WeakPolarHBondContact O-CG 3.34Å; Y163-L167 PolarHBondContact O-N 3.16Å; Y163-W347 HydrophobicContact CD1-CE3 4.43Å; Y163-W347 HydrophobicContact CD1-CH2 4.5Å; Y163-W347 AromaticContact CD1-CZ3 3.71Å; Y163-W347 HydrophobicContact CD1-CZ3 3.71Å; Y163-W347 HydrophobicContact CD2-CZ3 4.41Å; Y163-W347 HydrophobicContact CE1-CZ3 4.22Å; Y163-W347 HydrophobicContact CG-CH2 4.22Å; Y163-W347 AromaticContact CG-CZ3 3.84Å; Y163-W347 HydrophobicContact CG-CZ3 3.84Å; Y163-Q350 PolarHBondContact OH-NE2 3.49Å
164	G	98.9	Very high	98.8	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-59.8	-37.1	169.9	0	0	0	0	0	112.2	T75 N77 G160 G161 S162 L167 S168	T75-G164 WeakPolarHBondContact O-CA 3.37Å; T75-G164 PolarHBondContact OG1-O 3.38Å; N77-G164 VanDerWaalsContact CB-N 3.29Å; G160-G164 VanDerWaalsContact CA-C 3.46Å; G161-G164 VanDerWaalsContact O-CA 3.23Å; G161-G164 WeakPolarHBondContact O-CA 3.38Å; G161-G164 PolarHBondContact O-N 3Å; S162-G164 PolarHBondContact O-N 2.73Å; G164-L167 PolarHBondContact O-N 3.1Å; G164-S168 PolarHBondContact O-N 2.83Å; G164-S168 PolarHBondContact O-OG 3.33Å
165	G	98.9	Very high	98.9	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-67.3	-38.9	174.3	0	0	0	0	0	112.1	G160 G161 S162 Y163 S168 A169 A184	G160-G165 VanDerWaalsContact C-CA 3.45Å; G160-G165 WeakPolarHBondContact O-CA 3.12Å; G160-G165 PolarHBondContact O-N 2.97Å; G161-G165 PolarHBondContact O-N 3.03Å; S162-G165 WeakPolarHBondContact O-CA 3.21Å; S162-G165 PolarHBondContact O-N 3.16Å; Y163-G165 PolarHBondContact O-N 2.96Å; G165-S168 PolarHBondContact O-N 2.87Å; G165-A169 PolarHBondContact O-N 3.23Å; G165-A184 WeakPolarHBondContact O-CB 3.28Å
166	M	98.9	Very high	98.9	Very high	2 Å²	2	12.3 Å²	12.3	1%	0.01	6%	0.06	C	C	.	.	H	α-helix	trans	-58.9	-49.6	171.3	-59.2	166.4	43.7	0	0	110.4	S162 Y163 S168 A169 Y170 A187 P188 V189 V192 I355 L395	S162-M166 PolarHBondContact O-N 2.67Å; S162-M166 VanDerWaalsContact O-N 3.14Å; Y163-M166 HydrophobicContact CD2-CB 4.27Å; Y163-M166 HydrophobicContact CD2-CE 3.9Å; Y163-M166 HydrophobicContact CD2-SD 4.05Å; Y163-M166 HydrophobicContact CE2-CE 4.44Å; Y163-M166 VanDerWaalsContact O-CB 3.31Å; Y163-M166 WeakPolarHBondContact O-CB 3.42Å; Y163-M166 PolarHBondContact O-N 3.36Å; Y163-M166 VanDerWaalsContact O-N 3.12Å; M166-S168 VanDerWaalsContact C-N 3.32Å; M166-S168 PolarHBondContact O-N 3.4Å; M166-A169 PolarHBondContact O-N 3.33Å; M166-Y170 HydrophobicContact CB-CD2 4.33Å; M166-Y170 HydrophobicContact CB-CE2 3.82Å; M166-Y170 HydrophobicContact CE-CE2 4Å; M166-Y170 WeakPolarHBondContact O-CB 3.49Å; M166-Y170 WeakPolarHBondContact O-CD1 3.25Å; M166-Y170 VanDerWaalsContact O-CD2 3.3Å; M166-Y170 WeakPolarHBondContact O-CD2 3.48Å; M166-Y170 PolarHBondContact O-N 2.74Å; M166-A187 HydrophobicContact CG-CB 4.16Å; M166-P188 HydrophobicContact SD-CG 4.2Å; M166-V189 HydrophobicContact CB-CG1 4.26Å; M166-V189 HydrophobicContact CG-CG1 3.88Å; M166-V192 HydrophobicContact CE-CB 3.9Å; M166-V192 HydrophobicContact CE-CG1 4Å; M166-V192 HydrophobicContact CE-CG2 3.36Å; M166-V192 HydrophobicContact SD-CB 4.37Å; M166-V192 HydrophobicContact SD-CG1 3.88Å; M166-V192 HydrophobicContact SD-CG2 3.88Å; M166-I355 HydrophobicContact CE-CD1 4.09Å; M166-L395 HydrophobicContact CE-CD2 4.46Å
167	L	99	Very high	98.9	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-58.8	-41.4	177.8	-71	167.1	0	0	0	112.4	T75 G76 N77 V131 L135 F138 Y163 G164 Y170 L171	T75-L167 HydrophobicContact CG2-CB 4.49Å; G76-L167 WeakPolarHBondContact O-CD1 3.47Å; N77-L167 HydrophobicContact CB-CD1 4.41Å; V131-L167 HydrophobicContact CG1-CD2 3.88Å; L135-L167 HydrophobicContact CD2-CB 4.35Å; L135-L167 HydrophobicContact CD2-CD2 3.78Å; L135-L167 WeakPolarHBondContact CD2-O 3.33Å; L135-L167 HydrophobicContact CG-CD2 4.16Å; F138-L167 HydrophobicContact CE2-CB 4.5Å; F138-L167 HydrophobicContact CE2-CD1 4.15Å; F138-L167 HydrophobicContact CE2-CD2 4.37Å; Y163-L167 HydrophobicContact CD1-CD1 4.1Å; Y163-L167 HydrophobicContact CD2-CD1 4.3Å; Y163-L167 HydrophobicContact CD2-CG 4.08Å; Y163-L167 HydrophobicContact CE1-CD1 3.7Å; Y163-L167 HydrophobicContact CE1-CG 4.33Å; Y163-L167 HydrophobicContact CE2-CD1 3.93Å; Y163-L167 HydrophobicContact CE2-CD2 3.83Å; Y163-L167 HydrophobicContact CE2-CG 3.63Å; Y163-L167 HydrophobicContact CG-CD1 4.36Å; Y163-L167 WeakPolarHBondContact O-CG 3.34Å; Y163-L167 PolarHBondContact O-N 3.16Å; G164-L167 PolarHBondContact O-N 3.1Å; L167-Y170 PolarHBondContact O-N 2.83Å; L167-L171 WeakPolarHBondContact O-CB 3.3Å; L167-L171 PolarHBondContact O-N 2.9Å
168	S	99	Very high	98.9	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-63.3	-46.3	176.1	-80.4	0	0	0	0	112.7	T75 F159 G160 G164 G165 M166 L171 R172 A182	T75-S168 PolarHBondContact OG1-N 3.1Å; T75-S168 PolarHBondContact OG1-OG 3.05Å; F159-S168 WeakPolarHBondContact CA-OG 3.42Å; F159-S168 PolarHBondContact N-OG 2.8Å; F159-S168 PolarHBondContact O-OG 2.77Å; G160-S168 PolarHBondContact N-OG 3.43Å; G164-S168 PolarHBondContact O-N 2.83Å; G164-S168 PolarHBondContact O-OG 3.33Å; G165-S168 PolarHBondContact O-N 2.87Å; M166-S168 VanDerWaalsContact C-N 3.32Å; M166-S168 PolarHBondContact O-N 3.4Å; S168-L171 PolarHBondContact O-N 3.03Å; S168-R172 PolarHBondContact O-N 3.37Å; S168-R172 VanDerWaalsContact O-N 3.12Å; S168-A182 VanDerWaalsContact O-CB 3.29Å; S168-A182 WeakPolarHBondContact O-CB 3.41Å
169	A	98.9	Very high	98.9	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-60.3	-47.6	174.2	0	0	0	0	0	111.1	G165 M166 L171 R172 M173 A184 I410 F412	G165-A169 PolarHBondContact O-N 3.23Å; M166-A169 PolarHBondContact O-N 3.33Å; A169-L171 PolarHBondContact O-N 3.26Å; A169-R172 PolarHBondContact O-N 3.47Å; A169-M173 HydrophobicContact CB-SD 4.47Å; A169-M173 WeakPolarHBondContact O-CG 3.19Å; A169-M173 PolarHBondContact O-N 3.03Å; A169-A184 HydrophobicContact CB-CB 3.97Å; A169-I410 HydrophobicContact CB-CD1 4.37Å; A169-I410 HydrophobicContact CB-CG2 4.15Å; A169-F412 HydrophobicContact CB-CE1 3.89Å; A169-F412 HydrophobicContact CB-CZ 3.88Å
170	Y	98.9	Very high	98.9	Very high	4 Å²	4	20.5 Å²	20.5	2%	0.016	10%	0.101	C	C	.	.	H	α-helix	trans	-66.2	-37.6	-178.4	-60.1	-17.9	0	0	0	112.4	V131 M166 L167 R172 M173 K174 V189 F399	V131-Y170 HydrophobicContact CG1-CD2 3.95Å; V131-Y170 HydrophobicContact CG1-CE2 4.42Å; M166-Y170 HydrophobicContact CB-CD2 4.33Å; M166-Y170 HydrophobicContact CB-CE2 3.82Å; M166-Y170 HydrophobicContact CE-CE2 4Å; M166-Y170 WeakPolarHBondContact O-CB 3.49Å; M166-Y170 WeakPolarHBondContact O-CD1 3.25Å; M166-Y170 VanDerWaalsContact O-CD2 3.3Å; M166-Y170 WeakPolarHBondContact O-CD2 3.48Å; M166-Y170 PolarHBondContact O-N 2.74Å; L167-Y170 PolarHBondContact O-N 2.83Å; Y170-R172 VanDerWaalsContact C-N 3.33Å; Y170-R172 PolarHBondContact O-N 2.84Å; Y170-M173 HydrophobicContact CD1-CE 4.08Å; Y170-M173 HydrophobicContact CD1-SD 3.9Å; Y170-M173 PolarHBondContact O-N 3.02Å; Y170-K174 WeakPolarHBondContact O-CB 3.34Å; Y170-K174 WeakPolarHBondContact O-CG 3.46Å; Y170-K174 PolarHBondContact O-N 2.99Å; Y170-V189 HydrophobicContact CE1-CG1 4.01Å; Y170-F399 HydrophobicContact CD1-CB 3.89Å; Y170-F399 AromaticContact CD1-CD1 3.75Å; Y170-F399 HydrophobicContact CD1-CD1 3.75Å; Y170-F399 HydrophobicContact CD1-CG 4.02Å; Y170-F399 HydrophobicContact CD2-CB 4.43Å; Y170-F399 AromaticContact CD2-CD1 3.64Å; Y170-F399 HydrophobicContact CD2-CD1 3.64Å; Y170-F399 HydrophobicContact CD2-CD2 4.26Å; Y170-F399 AromaticContact CD2-CE1 3.89Å; Y170-F399 HydrophobicContact CD2-CE1 3.89Å; Y170-F399 HydrophobicContact CD2-CE2 4.46Å; Y170-F399 AromaticContact CD2-CG 3.85Å; Y170-F399 HydrophobicContact CD2-CG 3.85Å; Y170-F399 HydrophobicContact CD2-CZ 4.29Å; Y170-F399 HydrophobicContact CE1-CB 3.59Å; Y170-F399 HydrophobicContact CE1-CD1 4.27Å; Y170-F399 HydrophobicContact CE1-CG 4.06Å; Y170-F399 HydrophobicContact CE2-CB 4.16Å; Y170-F399 HydrophobicContact CE2-CD1 4.17Å; Y170-F399 HydrophobicContact CE2-CD2 4.11Å; Y170-F399 AromaticContact CE2-CG 3.87Å; Y170-F399 HydrophobicContact CE2-CG 3.87Å; Y170-F399 HydrophobicContact CG-CB 4.31Å; Y170-F399 AromaticContact CG-CD1 3.41Å; Y170-F399 HydrophobicContact CG-CD1 3.41Å; Y170-F399 VanDerWaalsContact CG-CD1 3.41Å; Y170-F399 AromaticContact CG-CE1 3.87Å; Y170-F399 HydrophobicContact CG-CE1 3.87Å; Y170-F399 AromaticContact CG-CG 3.92Å; Y170-F399 HydrophobicContact CG-CG 3.92Å; Y170-F399 AromaticContact CZ-CG 3.98Å
171	L	98.9	Very high	98.9	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-61.7	-42.6	174.1	-172.4	63.9	0	0	0	110.6	T75 L135 F138 L142 A158 L167 S168 A169 Y175 V179	T75-L171 HydrophobicContact CG2-CD2 3.77Å; L135-L171 HydrophobicContact CD2-CB 3.95Å; L135-L171 HydrophobicContact CD2-CD1 4.39Å; F138-L171 HydrophobicContact CB-CD1 4.31Å; F138-L171 HydrophobicContact CB-CD2 4.21Å; L142-L171 HydrophobicContact CD1-CD2 4.22Å; A158-L171 HydrophobicContact CB-CD2 4.3Å; L167-L171 WeakPolarHBondContact O-CB 3.3Å; L167-L171 PolarHBondContact O-N 2.9Å; S168-L171 PolarHBondContact O-N 3.03Å; A169-L171 PolarHBondContact O-N 3.26Å; L171-Y175 HydrophobicContact CD1-CD2 3.78Å; L171-Y175 HydrophobicContact CD1-CG 4.26Å; L171-Y175 CarbonylContact O-C 3.59Å; L171-Y175 WeakPolarHBondContact O-CA 3.45Å; L171-Y175 WeakPolarHBondContact O-CB 3.22Å; L171-Y175 PolarHBondContact O-N 3.42Å; L171-V179 HydrophobicContact CD2-CG1 3.87Å; L171-V179 HydrophobicContact CG-CG1 4.2Å; L171-V179 HydrophobicContact CG-CG2 4.09Å
172	R	98.9	Very high	98.9	Very high	25 Å²	25	20.5 Å²	20.5	9%	0.094	10%	0.101	C	C	.	.	H	α-helix	trans	-66.4	-39.5	174.2	174.7	57.1	-168	167.3	6	112.5	S168 A169 Y170 P176 V179 A180 A182 S408 I410	S168-R172 PolarHBondContact O-N 3.37Å; S168-R172 VanDerWaalsContact O-N 3.12Å; A169-R172 PolarHBondContact O-N 3.47Å; Y170-R172 VanDerWaalsContact C-N 3.33Å; Y170-R172 PolarHBondContact O-N 2.84Å; R172-P176 VanDerWaalsContact NH1-CA 3.34Å; R172-P176 VanDerWaalsContact NH1-CB 3.32Å; R172-P176 PolarHBondContact NH1-O 3.05Å; R172-P176 WeakPolarHBondContact O-CA 3.24Å; R172-P176 WeakPolarHBondContact O-CB 3.44Å; R172-P176 WeakPolarHBondContact O-CD 3.42Å; R172-V179 HydrophobicContact CB-CG2 3.98Å; R172-V179 WeakPolarHBondContact CD-O 3.31Å; R172-V179 PolarHBondContact NH1-O 3.04Å; R172-A180 PolarHBondContact NH1-O 3.04Å; R172-A182 HydrophobicContact CB-CB 3.82Å; R172-A182 HydrophobicContact CG-CB 4.45Å; R172-S408 WeakPolarHBondContact CG-O 3.41Å; R172-S408 PolarHBondContact NE-O 3.23Å; R172-S408 PolarHBondContact NH2-OG 2.94Å; R172-I410 HydrophobicContact CB-CD1 4.36Å; R172-I410 HydrophobicContact CB-CG1 4.27Å; R172-I410 HydrophobicContact CG-CD1 4.14Å; R172-I410 HydrophobicContact CG-CG1 3.79Å
173	M	98.9	Very high	98.9	Very high	16 Å²	16	19.8 Å²	19.8	8%	0.079	10%	0.096	C	C	.	.	H	α-helix	trans	-66.2	-43.1	178.6	-71.3	159	52.5	0	0	112.6	A169 Y170 F399 W400 L404 A407 I410	A169-M173 HydrophobicContact CB-SD 4.47Å; A169-M173 WeakPolarHBondContact O-CG 3.19Å; A169-M173 PolarHBondContact O-N 3.03Å; Y170-M173 HydrophobicContact CD1-CE 4.08Å; Y170-M173 HydrophobicContact CD1-SD 3.9Å; Y170-M173 PolarHBondContact O-N 3.02Å; M173-F399 VanDerWaalsContact CE-O 3.26Å; M173-F399 WeakPolarHBondContact CE-O 3.24Å; M173-W400 HydrophobicContact CB-CH2 4.08Å; M173-W400 HydrophobicContact CB-CZ3 4.02Å; M173-W400 HydrophobicContact CE-CB 4.32Å; M173-W400 HydrophobicContact CE-CD2 3.69Å; M173-W400 HydrophobicContact CE-CE3 3.47Å; M173-W400 VanDerWaalsContact CE-CE3 3.47Å; M173-W400 HydrophobicContact CE-CG 4.09Å; M173-W400 HydrophobicContact CE-CZ3 4.01Å; M173-W400 HydrophobicContact CG-CE3 4.36Å; M173-W400 HydrophobicContact CG-CZ3 3.97Å; M173-L404 HydrophobicContact CE-CD2 3.78Å; M173-L404 HydrophobicContact SD-CD2 3.99Å; M173-A407 HydrophobicContact CG-CB 4.08Å; M173-I410 HydrophobicContact CG-CD1 3.86Å; M173-I410 HydrophobicContact SD-CD1 4.32Å
174	K	98.9	Very high	98.9	Very high	80 Å²	80	19.7 Å²	19.7	35%	0.348	10%	0.096	S	C	.	.	H	α-helix	trans	-91.7	-31.2	-173.6	-63.8	-62.3	-172.3	176.1	0	113.7	Y170 P176 S398 F399	Y170-K174 WeakPolarHBondContact O-CB 3.34Å; Y170-K174 WeakPolarHBondContact O-CG 3.46Å; Y170-K174 PolarHBondContact O-N 2.99Å; K174-P176 WeakPolarHBondContact O-CD 3.32Å; K174-S398 WeakPolarHBondContact CE-O 3.49Å; K174-S398 PolarHBondContact NZ-O 3.43Å; K174-F399 HydrophobicContact CG-CE1 4.29Å
175	Y	98.9	Very high	98.9	Very high	54 Å²	54	19.7 Å²	19.7	21%	0.212	10%	0.096	C	C	.	.			trans	-126.4	53.1	-177.7	-55.5	-92	0	0	0	112.1	L135 A139 L171 H177 L178 V179	L135-Y175 HydrophobicContact CB-CE2 4.14Å; A139-Y175 HydrophobicContact CB-CD1 3.92Å; A139-Y175 HydrophobicContact CB-CE1 3.95Å; A139-Y175 HydrophobicContact CB-CG 4.23Å; L171-Y175 HydrophobicContact CD1-CD2 3.78Å; L171-Y175 HydrophobicContact CD1-CG 4.26Å; L171-Y175 CarbonylContact O-C 3.59Å; L171-Y175 WeakPolarHBondContact O-CA 3.45Å; L171-Y175 WeakPolarHBondContact O-CB 3.22Å; L171-Y175 PolarHBondContact O-N 3.42Å; Y175-H177 AromaticContact CD1-CE1 3.81Å; Y175-H177 PolarHBondContact O-N 2.03Å; Y175-L178 HydrophobicContact CD1-CD1 4.02Å; Y175-L178 HydrophobicContact CG-CD1 4.35Å; Y175-L178 PolarHBondContact O-N 2.86Å; Y175-V179 PolarHBondContact O-N 3.11Å
176	P	98.7	Very high	98.9	Very high	60 Å²	60	19.7 Å²	19.7	39%	0.39	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-15	-179	27.7	-35.9	0	0	0	113.5	R172 K174 L178 V179	R172-P176 VanDerWaalsContact NH1-CA 3.34Å; R172-P176 VanDerWaalsContact NH1-CB 3.32Å; R172-P176 PolarHBondContact NH1-O 3.05Å; R172-P176 WeakPolarHBondContact O-CA 3.24Å; R172-P176 WeakPolarHBondContact O-CB 3.44Å; R172-P176 WeakPolarHBondContact O-CD 3.42Å; K174-P176 WeakPolarHBondContact O-CD 3.32Å; P176-L178 VanDerWaalsContact C-N 3.33Å; P176-V179 VanDerWaalsContact O-O 3.13Å
177	H	98.3	Very high	98.9	Very high	142 Å²	142	19.6 Å²	19.6	66%	0.657	10%	0.095	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-14	173.5	63.4	-78.6	0	0	0	113	Y175	Y175-H177 AromaticContact CD1-CE1 3.81Å; Y175-H177 PolarHBondContact O-N 2.03Å
178	L	98.8	Very high	98.8	Very high	16 Å²	16	19.8 Å²	19.8	8%	0.084	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.7	-33.7	178.3	-60.9	179.1	0	0	0	112.7	A139 R143 R146 Y175 P176	A139-L178 HydrophobicContact CB-CD1 3.53Å; R143-L178 HydrophobicContact CG-CD1 4.24Å; R143-L178 HydrophobicContact CG-CD2 3.67Å; R146-L178 VanDerWaalsContact CZ-O 3.29Å; R146-L178 PolarHBondContact NH1-O 2.91Å; R146-L178 PolarHBondContact NH2-O 3.44Å; Y175-L178 HydrophobicContact CD1-CD1 4.02Å; Y175-L178 HydrophobicContact CG-CD1 4.35Å; Y175-L178 PolarHBondContact O-N 2.86Å; P176-L178 VanDerWaalsContact C-N 3.33Å
179	V	98.8	Very high	98.8	Very high	1 Å²	1	20 Å²	20	1%	0.006	10%	0.097	C	C	.	.			trans	-124.1	130.1	176.7	-60.1	0	0	0	0	110.1	L142 A156 L171 R172 Y175 P176	L142-V179 HydrophobicContact CD1-CG1 3.55Å; A156-V179 HydrophobicContact CB-CG1 4.11Å; A156-V179 CarbonylContact O-C 3.57Å; A156-V179 WeakPolarHBondContact O-CA 3.35Å; L171-V179 HydrophobicContact CD2-CG1 3.87Å; L171-V179 HydrophobicContact CG-CG1 4.2Å; L171-V179 HydrophobicContact CG-CG2 4.09Å; R172-V179 HydrophobicContact CB-CG2 3.98Å; R172-V179 WeakPolarHBondContact CD-O 3.31Å; R172-V179 PolarHBondContact NH1-O 3.04Å; Y175-V179 PolarHBondContact O-N 3.11Å; P176-V179 VanDerWaalsContact O-O 3.13Å
180	A	98.8	Very high	98.8	Very high	14 Å²	14	22 Å²	22	12%	0.116	11%	0.108	C	C	.	.	S	Bend	trans	-79.6	-21.2	-174.7	0	0	0	0	0	113.5	P155 A156 I157 R172 N409 A476	P155-A180 HydrophobicContact CB-CB 4.29Å; A156-A180 PolarHBondContact O-N 3.22Å; I157-A180 HydrophobicContact CD1-CB 4.07Å; R172-A180 PolarHBondContact NH1-O 3.04Å; A180-N409 WeakPolarHBondContact O-CB 3.32Å; A180-N409 PolarHBondContact O-ND2 3.07Å; A180-A476 HydrophobicContact CB-CB 3.81Å
181	G	98.9	Very high	98.8	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.4	174.5	176.6	0	0	0	0	0	112	I157 A158 N409	I157-G181 WeakPolarHBondContact CA-O 3.47Å; A158-G181 PolarHBondContact N-O 3.28Å; G181-N409 CarbonylContact C-O 3.58Å; G181-N409 WeakPolarHBondContact CA-O 3.35Å
182	A	98.9	Very high	98.8	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	138.1	179.9	0	0	0	0	0	112.9	A158 S168 R172 N409 I410 I411	A158-A182 HydrophobicContact CB-CB 4.11Å; A158-A182 CarbonylContact O-C 3.56Å; A158-A182 VanDerWaalsContact O-CA 3.25Å; A158-A182 WeakPolarHBondContact O-CA 3.39Å; S168-A182 VanDerWaalsContact O-CB 3.29Å; S168-A182 WeakPolarHBondContact O-CB 3.41Å; R172-A182 HydrophobicContact CB-CB 3.82Å; R172-A182 HydrophobicContact CG-CB 4.45Å; A182-N409 PolarHBondContact N-O 3.45Å; A182-I410 HydrophobicContact CB-CG1 4.48Å; A182-I410 HydrophobicContact CB-CG2 4.39Å; A182-I410 WeakPolarHBondContact O-CA 3.43Å; A182-I411 PolarHBondContact O-N 3.36Å
183	L	98.9	Very high	98.8	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	107	161.2	175.8	57.4	0	0	0	108.5	F90 A158 F159 G160 I411 L447 E465 I469	F90-L183 HydrophobicContact CD1-CD2 4.47Å; F90-L183 HydrophobicContact CE1-CD2 4.05Å; A158-L183 PolarHBondContact O-N 3.05Å; F159-L183 HydrophobicContact CD1-CB 3.88Å; F159-L183 HydrophobicContact CD1-CD2 3.96Å; F159-L183 HydrophobicContact CD1-CG 4.42Å; F159-L183 HydrophobicContact CE1-CB 4.19Å; F159-L183 HydrophobicContact CE1-CD2 4.1Å; G160-L183 PolarHBondContact N-O 2.93Å; L183-I411 HydrophobicContact CD1-CB 3.73Å; L183-I411 HydrophobicContact CD1-CD1 4.48Å; L183-I411 HydrophobicContact CD1-CG2 3.45Å; L183-I411 VanDerWaalsContact CD1-CG2 3.45Å; L183-L447 HydrophobicContact CD2-CD2 3.81Å; L183-L447 HydrophobicContact CG-CD2 4.38Å; L183-E465 HydrophobicContact CD1-CG 4.06Å; L183-E465 HydrophobicContact CD2-CG 4.42Å; L183-I469 HydrophobicContact CB-CD1 4.44Å
184	A	98.9	Very high	98.7	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	84.2	-179.7	0	0	0	0	0	109.8	G165 A169 A187 I410 I411 F412 S413	G165-A184 WeakPolarHBondContact O-CB 3.28Å; A169-A184 HydrophobicContact CB-CB 3.97Å; A184-A187 HydrophobicContact CB-CB 4.09Å; A184-I410 HydrophobicContact CB-CG2 4.23Å; A184-I411 PolarHBondContact N-O 3.11Å; A184-F412 HydrophobicContact CB-CD1 3.78Å; A184-F412 HydrophobicContact CB-CE1 3.86Å; A184-F412 WeakPolarHBondContact O-CA 3.33Å; A184-S413 PolarHBondContact O-N 2.86Å
185	A	98.9	Very high	98.7	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	125.9	-173.4	0	0	0	0	0	112.2	G160 G161 S162 A187 S413 H444 D446 L447	G160-A185 PolarHBondContact O-N 2.95Å; G161-A185 CarbonylContact C-O 3.6Å; G161-A185 VanDerWaalsContact CA-O 3.27Å; G161-A185 WeakPolarHBondContact CA-O 3.44Å; S162-A185 PolarHBondContact N-O 2.79Å; A185-A187 VanDerWaalsContact C-N 3.25Å; A185-A187 PolarHBondContact O-N 2.88Å; A185-S413 VanDerWaalsContact CA-OG 3.24Å; A185-S413 WeakPolarHBondContact CA-OG 3.28Å; A185-S413 WeakPolarHBondContact CB-OG 2.97Å; A185-H444 HydrophobicContact CB-CB 3.81Å; A185-D446 WeakPolarHBondContact CB-OD2 3.42Å; A185-L447 HydrophobicContact CB-CD1 3.72Å; A185-L447 HydrophobicContact CB-CD2 4.14Å; A185-L447 HydrophobicContact CB-CG 3.68Å
186	S	98.8	Very high	98.6	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.8	46.2	-178.9	-55	0	0	0	0	112.8	P188 S413 D418 H444	S186-P188 VanDerWaalsContact O-CD 3.31Å; S186-P188 WeakPolarHBondContact O-CD 3.19Å; S186-S413 WeakPolarHBondContact CA-O 3.43Å; S186-S413 PolarHBondContact N-O 3.35Å; S186-D418 VanDerWaalsContact CB-OD2 3.28Å; S186-D418 WeakPolarHBondContact CB-OD2 3.28Å; S186-D418 PolarHBondContact OG-OD2 3.43Å; S186-H444 WeakPolarHBondContact OG-CA 3.46Å; S186-H444 PolarHBondContact OG-N 3.27Å
187	A	98.8	Very high	98.6	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	16%	0.158	C	C	.	.			trans	-92.3	109.2	-176	0	0	0	0	0	111.5	M166 A184 A185 V189 F412 G424	M166-A187 HydrophobicContact CG-CB 4.16Å; A184-A187 HydrophobicContact CB-CB 4.09Å; A185-A187 VanDerWaalsContact C-N 3.25Å; A185-A187 PolarHBondContact O-N 2.88Å; A187-V189 HydrophobicContact CB-CG1 4.22Å; A187-V189 PolarHBondContact O-N 2.95Å; A187-F412 HydrophobicContact CB-CD1 4.44Å; A187-G424 WeakPolarHBondContact O-CA 3.07Å
188	P	98.8	Very high	98.6	Very high	4 Å²	4	19.8 Å²	19.8	3%	0.026	15%	0.145	C	C	.	.			trans	-83	51	-173.7	35.6	-37.9	0	0	0	112.9	M166 S186 L190 A191 V192 W420 G423	M166-P188 HydrophobicContact SD-CG 4.2Å; S186-P188 VanDerWaalsContact O-CD 3.31Å; S186-P188 WeakPolarHBondContact O-CD 3.19Å; P188-L190 PolarHBondContact O-N 2.9Å; P188-L190 VanDerWaalsContact O-N 3.07Å; P188-A191 HydrophobicContact CB-CB 4.45Å; P188-A191 PolarHBondContact O-N 3.14Å; P188-V192 HydrophobicContact CG-CG1 4.17Å; P188-V192 WeakPolarHBondContact O-CG2 3.26Å; P188-V192 PolarHBondContact O-N 2.86Å; P188-W420 HydrophobicContact CB-CB 4.44Å; P188-W420 HydrophobicContact CB-CE3 3.66Å; P188-W420 HydrophobicContact CB-CZ3 4.32Å; P188-W420 HydrophobicContact CG-CD2 4.35Å; P188-W420 HydrophobicContact CG-CE3 3.68Å; P188-W420 HydrophobicContact CG-CZ3 4.13Å; P188-G423 CarbonylContact C-O 3.6Å; P188-G423 VanDerWaalsContact CA-O 3.26Å; P188-G423 WeakPolarHBondContact CA-O 3.43Å
189	V	98.8	Very high	98.6	Very high	3 Å²	3	20.9 Å²	20.9	2%	0.018	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-19.9	-171.8	-64.9	0	0	0	0	115.1	M166 Y170 A187 A193 F412 G423 I425	M166-V189 HydrophobicContact CB-CG1 4.26Å; M166-V189 HydrophobicContact CG-CG1 3.88Å; Y170-V189 HydrophobicContact CE1-CG1 4.01Å; A187-V189 HydrophobicContact CB-CG1 4.22Å; A187-V189 PolarHBondContact O-N 2.95Å; V189-A193 WeakPolarHBondContact O-CB 3.39Å; V189-F412 HydrophobicContact CG1-CE1 4.15Å; V189-F412 HydrophobicContact CG2-CE1 4.16Å; V189-G423 PolarHBondContact N-O 2.8Å; V189-I425 HydrophobicContact CG2-CD1 3.87Å; V189-I425 HydrophobicContact CG2-CG1 3.76Å
190	L	98.8	Very high	98.6	Very high	43 Å²	43	21.5 Å²	21.5	23%	0.225	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-50.7	176.6	-54.6	-179.6	0	0	0	110.6	P188 V192 A193 G194 L195 G402 G423 G424 I425	P188-L190 PolarHBondContact O-N 2.9Å; P188-L190 VanDerWaalsContact O-N 3.07Å; L190-V192 PolarHBondContact O-N 3.43Å; L190-A193 PolarHBondContact O-N 2.94Å; L190-A193 VanDerWaalsContact O-N 3.11Å; L190-G194 PolarHBondContact O-N 3.09Å; L190-L195 HydrophobicContact CB-CB 4.24Å; L190-L195 HydrophobicContact CD2-CD1 4.21Å; L190-L195 WeakPolarHBondContact O-CB 3.42Å; L190-L195 PolarHBondContact O-N 2.87Å; L190-G402 VanDerWaalsContact CD2-CA 3.44Å; L190-G423 WeakPolarHBondContact CA-O 3.34Å; L190-G423 VanDerWaalsContact CB-O 3.24Å; L190-G423 WeakPolarHBondContact CB-O 3.41Å; L190-G423 PolarHBondContact N-O 3.01Å; L190-G424 WeakPolarHBondContact CD1-O 3.47Å; L190-I425 HydrophobicContact CD1-CD1 4.21Å; L190-I425 HydrophobicContact CD2-CD1 3.75Å; L190-I425 HydrophobicContact CG-CD1 3.99Å
191	A	98.6	Very high	98.6	Very high	9 Å²	9	20.9 Å²	20.9	7%	0.074	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-58.5	-49.7	-177.7	0	0	0	0	0	112	P188 A193 G194 L195 F359 G423	P188-A191 HydrophobicContact CB-CB 4.45Å; P188-A191 PolarHBondContact O-N 3.14Å; A191-A193 PolarHBondContact O-N 3.21Å; A191-A193 VanDerWaalsContact O-N 3.16Å; A191-G194 WeakPolarHBondContact O-CA 3.37Å; A191-G194 PolarHBondContact O-N 2.78Å; A191-L195 WeakPolarHBondContact CA-O 3.47Å; A191-F359 HydrophobicContact CB-CE1 4.31Å; A191-F359 HydrophobicContact CB-CE2 4.4Å; A191-F359 HydrophobicContact CB-CZ 3.56Å; A191-G423 PolarHBondContact N-O 2.89Å; A191-G423 VanDerWaalsContact N-O 3.16Å
192	V	98.7	Very high	98.6	Very high	2 Å²	2	20.9 Å²	20.9	1%	0.012	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-62.4	-22.3	179.2	-63.2	0	0	0	0	113.5	M166 P188 L190 G194 I355 N356 L357 L395	M166-V192 HydrophobicContact CE-CB 3.9Å; M166-V192 HydrophobicContact CE-CG1 4Å; M166-V192 HydrophobicContact CE-CG2 3.36Å; M166-V192 HydrophobicContact SD-CB 4.37Å; M166-V192 HydrophobicContact SD-CG1 3.88Å; M166-V192 HydrophobicContact SD-CG2 3.88Å; P188-V192 HydrophobicContact CG-CG1 4.17Å; P188-V192 WeakPolarHBondContact O-CG2 3.26Å; P188-V192 PolarHBondContact O-N 2.86Å; L190-V192 PolarHBondContact O-N 3.43Å; V192-G194 VanDerWaalsContact C-N 3.28Å; V192-I355 HydrophobicContact CB-CG2 4.07Å; V192-I355 HydrophobicContact CG1-CG2 3.81Å; V192-N356 WeakPolarHBondContact CA-O 3.44Å; V192-N356 VanDerWaalsContact O-CB 3.27Å; V192-N356 WeakPolarHBondContact O-CB 3.46Å; V192-N356 PolarHBondContact O-N 3.41Å; V192-N356 PolarHBondContact O-ND2 2.95Å; V192-N356 VanDerWaalsContact O-ND2 3.09Å; V192-L357 HydrophobicContact CG1-CD2 4Å; V192-L395 HydrophobicContact CB-CD2 3.86Å; V192-L395 HydrophobicContact CG2-CD2 3.71Å; V192-L395 VanDerWaalsContact O-CD2 3.24Å; V192-L395 WeakPolarHBondContact O-CD2 3.46Å
193	A	98.6	Very high	98.6	Very high	5 Å²	5	25 Å²	25	4%	0.041	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-87.7	8.3	173.7	0	0	0	0	0	113.1	V189 L190 A191 L195 L396	V189-A193 WeakPolarHBondContact O-CB 3.39Å; L190-A193 PolarHBondContact O-N 2.94Å; L190-A193 VanDerWaalsContact O-N 3.11Å; A191-A193 PolarHBondContact O-N 3.21Å; A191-A193 VanDerWaalsContact O-N 3.16Å; A193-L195 VanDerWaalsContact C-N 3.34Å; A193-L195 HydrophobicContact CB-CG 4.44Å; A193-L396 HydrophobicContact CB-CB 4.31Å; A193-L396 HydrophobicContact CB-CD1 4.49Å
194	G	98.2	Very high	98.6	Very high	52 Å²	52	27 Å²	27	54%	0.536	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.7	17.4	-179.2	0	0	0	0	0	114.2	L190 A191 V192	L190-G194 PolarHBondContact O-N 3.09Å; A191-G194 WeakPolarHBondContact O-CA 3.37Å; A191-G194 PolarHBondContact O-N 2.78Å; V192-G194 VanDerWaalsContact C-N 3.28Å
195	L	98.6	Very high	98.6	Very high	67 Å²	67	27 Å²	27	35%	0.351	18%	0.175	S	C	.	.			trans	-99.6	144.7	179	-54.3	175	0	0	0	110.8	L190 A191 A193 L396	L190-L195 HydrophobicContact CB-CB 4.24Å; L190-L195 HydrophobicContact CD2-CD1 4.21Å; L190-L195 WeakPolarHBondContact O-CB 3.42Å; L190-L195 PolarHBondContact O-N 2.87Å; A191-L195 WeakPolarHBondContact CA-O 3.47Å; A193-L195 VanDerWaalsContact C-N 3.34Å; A193-L195 HydrophobicContact CB-CG 4.44Å; L195-L396 HydrophobicContact CD1-CD1 4.17Å; L195-L396 HydrophobicContact CD2-CD2 4.38Å
196	G	96.8	Very high	98.6	Very high	82 Å²	82	27.4 Å²	27.4	85%	0.845	18%	0.178	S	C	*	.	S	Bend	trans	105.6	-156.4	176.4	0	0	0	0	0	113.3
197	D	97.9	Very high	98.6	Very high	62 Å²	62	29.9 Å²	29.9	33%	0.332	20%	0.198	S	C	.	.			trans	-108.9	123.3	-174.5	172.6	11	0	0	0	109.8	N199 Q200 R203	D197-N199 PolarHBondContact O-N 2.73Å; D197-N199 VanDerWaalsContact O-N 3.1Å; D197-N199 WeakPolarHBondContact OD1-CB 3.21Å; D197-N199 PolarHBondContact OD1-N 3.35Å; D197-N199 PolarHBondContact OD1-ND2 3.43Å; D197-Q200 HydrophobicContact CB-CB 4.28Å; D197-Q200 WeakPolarHBondContact O-CB 3.23Å; D197-Q200 PolarHBondContact O-N 2.88Å; D197-R203 IonicContact OD2-CZ 3.98Å; D197-R203 IonicContact OD2-NH1 2.95Å; D197-R203 PolarHBondContact OD2-NH1 3.18Å; D197-R203 IonicContact OD2-NH2 2.88Å; D197-R203 PolarHBondContact OD2-NH2 2.93Å
198	S	98.2	Very high	98.6	Very high	55 Å²	55	30.9 Å²	30.9	39%	0.385	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-15.4	179.4	60.7	0	0	0	0	113.7	T358 F359 A360	S198-T358 WeakPolarHBondContact CB-O 3.24Å; S198-F359 WeakPolarHBondContact O-CA 3.47Å; S198-A360 PolarHBondContact O-N 2.99Å
199	N	98.7	Very high	98.6	Very high	39 Å²	39	30.7 Å²	30.7	21%	0.209	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-9.2	176	-51.5	-63.5	0	0	0	112.9	D197 F201 R203 N362	D197-N199 PolarHBondContact O-N 2.73Å; D197-N199 VanDerWaalsContact O-N 3.1Å; D197-N199 WeakPolarHBondContact OD1-CB 3.21Å; D197-N199 PolarHBondContact OD1-N 3.35Å; D197-N199 PolarHBondContact OD1-ND2 3.43Å; N199-F201 PolarHBondContact O-N 3.21Å; N199-R203 WeakPolarHBondContact O-CB 3.47Å; N199-R203 PolarHBondContact O-N 2.88Å; N199-R203 VanDerWaalsContact O-N 3.14Å; N199-N362 PolarHBondContact OD1-ND2 3.37Å
200	Q	98.8	Very high	98.6	Very high	15 Å²	15	34.1 Å²	34.1	7%	0.07	22%	0.218	C	C	.	.	H	α-helix	trans	-60.2	-50.2	-170.9	173.9	-86.1	-48.1	0	0	112.1	D197 F202 R203 D204 P419	D197-Q200 HydrophobicContact CB-CB 4.28Å; D197-Q200 WeakPolarHBondContact O-CB 3.23Å; D197-Q200 PolarHBondContact O-N 2.88Å; Q200-F202 PolarHBondContact O-N 2.94Å; Q200-R203 PolarHBondContact O-N 2.77Å; Q200-D204 VanDerWaalsContact NE2-CG 3.32Å; Q200-D204 PolarHBondContact NE2-OD2 2.86Å; Q200-D204 WeakPolarHBondContact O-CB 3.29Å; Q200-D204 VanDerWaalsContact O-CG 3.27Å; Q200-D204 PolarHBondContact O-N 3.37Å; Q200-P419 PolarHBondContact NE2-O 3.29Å
201	F	98.9	Very high	98.6	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-57.2	-53.9	-172.2	-173	-94.7	0	0	0	112.8	N199 D204 V205 T267 T336 F359 P419 W420	N199-F201 PolarHBondContact O-N 3.21Å; F201-D204 PolarHBondContact O-N 2.96Å; F201-V205 HydrophobicContact CD1-CG2 4.26Å; F201-V205 HydrophobicContact CE1-CG2 3.95Å; F201-V205 HydrophobicContact CZ-CG2 4.4Å; F201-V205 WeakPolarHBondContact O-CG2 3.34Å; F201-V205 PolarHBondContact O-N 3.12Å; F201-T267 HydrophobicContact CE1-CG2 3.75Å; F201-T267 HydrophobicContact CZ-CG2 3.76Å; F201-T336 HydrophobicContact CD1-CG2 3.8Å; F201-T336 HydrophobicContact CD2-CG2 4.48Å; F201-T336 HydrophobicContact CE1-CG2 3.43Å; F201-T336 VanDerWaalsContact CE1-CG2 3.43Å; F201-T336 HydrophobicContact CE2-CG2 4.19Å; F201-T336 HydrophobicContact CG-CG2 4.3Å; F201-T336 HydrophobicContact CZ-CG2 3.65Å; F201-F359 HydrophobicContact CB-CB 4.36Å; F201-F359 HydrophobicContact CB-CD1 3.87Å; F201-F359 HydrophobicContact CB-CD2 4.1Å; F201-F359 HydrophobicContact CB-CE1 4.05Å; F201-F359 HydrophobicContact CB-CE2 4.26Å; F201-F359 HydrophobicContact CB-CG 3.88Å; F201-F359 HydrophobicContact CB-CZ 4.19Å; F201-F359 HydrophobicContact CG-CD2 4.46Å; F201-P419 HydrophobicContact CD2-CB 3.93Å; F201-P419 HydrophobicContact CD2-CG 4.5Å; F201-P419 WeakPolarHBondContact CD2-O 3.45Å; F201-P419 HydrophobicContact CE1-CB 4.47Å; F201-P419 HydrophobicContact CE2-CB 3.61Å; F201-P419 HydrophobicContact CE2-CG 3.7Å; F201-P419 HydrophobicContact CG-CB 4.47Å; F201-P419 HydrophobicContact CZ-CB 3.93Å; F201-P419 HydrophobicContact CZ-CG 3.75Å; F201-W420 HydrophobicContact CD2-CD2 4.02Å; F201-W420 HydrophobicContact CD2-CE3 4.13Å; F201-W420 HydrophobicContact CD2-CG 4.47Å; F201-W420 HydrophobicContact CD2-CZ3 4.47Å; F201-W420 AromaticContact CE2-CD1 3.75Å; F201-W420 AromaticContact CE2-CD2 3.47Å; F201-W420 HydrophobicContact CE2-CD2 3.47Å; F201-W420 VanDerWaalsContact CE2-CD2 3.47Å; F201-W420 AromaticContact CE2-CE2 3.34Å; F201-W420 HydrophobicContact CE2-CE3 4.03Å; F201-W420 AromaticContact CE2-CG 3.77Å; F201-W420 HydrophobicContact CE2-CG 3.77Å; F201-W420 HydrophobicContact CE2-CH2 4.37Å; F201-W420 AromaticContact CE2-CZ2 3.83Å; F201-W420 HydrophobicContact CE2-CZ2 3.83Å; F201-W420 HydrophobicContact CE2-CZ3 4.47Å; F201-W420 AromaticContact CE2-NE1 3.5Å; F201-W420 HydrophobicContact CZ-CD2 4.44Å; F201-W420 AromaticContact CZ-CE2 3.88Å; F201-W420 HydrophobicContact CZ-CZ2 4.14Å; F201-W420 AromaticContact CZ-NE1 3.82Å
202	F	98.9	Very high	98.5	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-76.4	-23.8	-177.7	-66.6	-64.9	0	0	0	113.5	Q200 D204 T206 R263 P335 F359 A360 D366 F368	Q200-F202 PolarHBondContact O-N 2.94Å; F202-D204 VanDerWaalsContact C-N 3.33Å; F202-T206 WeakPolarHBondContact O-CB 3.24Å; F202-T206 PolarHBondContact O-N 2.89Å; F202-T206 PolarHBondContact O-OG1 3.2Å; F202-R263 HydrophobicContact CD1-CG 3.96Å; F202-R263 VanDerWaalsContact CE1-CD 3.42Å; F202-R263 HydrophobicContact CE1-CG 3.73Å; F202-R263 VanDerWaalsContact CE1-NE 3.34Å; F202-R263 VanDerWaalsContact CZ-NE 3.3Å; F202-P335 HydrophobicContact CE2-CB 4.4Å; F202-P335 HydrophobicContact CZ-CB 4.5Å; F202-F359 HydrophobicContact CD2-CB 4.44Å; F202-F359 HydrophobicContact CE2-CB 4.11Å; F202-A360 WeakPolarHBondContact CD2-O 3.02Å; F202-D366 HydrophobicContact CB-CB 4.21Å; F202-D366 WeakPolarHBondContact O-CB 3.46Å; F202-F368 HydrophobicContact CB-CD2 4.01Å; F202-F368 HydrophobicContact CB-CE2 4.18Å; F202-F368 HydrophobicContact CD1-CD2 4.16Å; F202-F368 HydrophobicContact CD1-CE2 4.05Å; F202-F368 HydrophobicContact CG-CD2 4.39Å
203	R	98.9	Very high	98.5	Very high	86 Å²	86	40 Å²	40	33%	0.325	27%	0.265	S	S	.	.	H	α-helix	trans	-63.2	-43	166.6	174.8	174.9	63.5	-136.4	-0.9	110.7	D197 N199 Q200 T206 A207 T365	D197-R203 IonicContact OD2-CZ 3.98Å; D197-R203 IonicContact OD2-NH1 2.95Å; D197-R203 PolarHBondContact OD2-NH1 3.18Å; D197-R203 IonicContact OD2-NH2 2.88Å; D197-R203 PolarHBondContact OD2-NH2 2.93Å; N199-R203 WeakPolarHBondContact O-CB 3.47Å; N199-R203 PolarHBondContact O-N 2.88Å; N199-R203 VanDerWaalsContact O-N 3.14Å; Q200-R203 PolarHBondContact O-N 2.77Å; R203-T206 WeakPolarHBondContact O-CA 3.41Å; R203-T206 VanDerWaalsContact O-CB 3.3Å; R203-T206 WeakPolarHBondContact O-CB 3.39Å; R203-T206 PolarHBondContact O-N 2.98Å; R203-T206 VanDerWaalsContact O-N 3.16Å; R203-A207 PolarHBondContact O-N 3.28Å; R203-T365 WeakPolarHBondContact CG-O 3.47Å
204	D	98.9	Very high	98.5	Very high	43 Å²	43	43.6 Å²	43.6	23%	0.23	29%	0.288	C	S	.	.	H	α-helix	trans	-73.5	-39.2	-177.4	-68.5	12.4	0	0	0	110.7	Q200 F201 F202 T206 A207 D208 P419	Q200-D204 VanDerWaalsContact NE2-CG 3.32Å; Q200-D204 PolarHBondContact NE2-OD2 2.86Å; Q200-D204 WeakPolarHBondContact O-CB 3.29Å; Q200-D204 VanDerWaalsContact O-CG 3.27Å; Q200-D204 PolarHBondContact O-N 3.37Å; F201-D204 PolarHBondContact O-N 2.96Å; F202-D204 VanDerWaalsContact C-N 3.33Å; D204-T206 PolarHBondContact O-N 3.21Å; D204-A207 WeakPolarHBondContact O-CA 3.33Å; D204-A207 WeakPolarHBondContact O-CB 3.42Å; D204-A207 PolarHBondContact O-N 2.87Å; D204-D208 PolarHBondContact O-N 3.45Å; D204-D208 VanDerWaalsContact O-N 3.08Å; D204-P419 HydrophobicContact CB-CB 4.38Å
205	V	98.9	Very high	98.5	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-55.2	-41.6	166.6	176.8	0	0	0	0	111	F201 A207 D208 F209 F266 A270 F368 P419	F201-V205 HydrophobicContact CD1-CG2 4.26Å; F201-V205 HydrophobicContact CE1-CG2 3.95Å; F201-V205 HydrophobicContact CZ-CG2 4.4Å; F201-V205 WeakPolarHBondContact O-CG2 3.34Å; F201-V205 PolarHBondContact O-N 3.12Å; V205-A207 VanDerWaalsContact C-N 3.31Å; V205-A207 PolarHBondContact O-N 2.9Å; V205-D208 PolarHBondContact O-N 2.78Å; V205-F209 HydrophobicContact CG1-CD2 4.47Å; V205-F209 HydrophobicContact CG1-CE2 4.44Å; V205-F209 WeakPolarHBondContact O-CD2 3.15Å; V205-F266 HydrophobicContact CG1-CB 3.8Å; V205-A270 HydrophobicContact CG1-CB 4.2Å; V205-A270 HydrophobicContact CG2-CB 4.4Å; V205-F368 HydrophobicContact CB-CE2 4.24Å; V205-F368 HydrophobicContact CB-CZ 4.44Å; V205-F368 HydrophobicContact CG1-CE2 3.98Å; V205-F368 HydrophobicContact CG1-CZ 3.69Å; V205-P419 HydrophobicContact CG2-CB 3.5Å; V205-P419 HydrophobicContact CG2-CG 3.82Å
206	T	98.9	Very high	98.6	Very high	9 Å²	9	45.6 Å²	45.6	6%	0.055	28%	0.279	C	S	.	.	H	α-helix	trans	-64.5	-38.2	176.9	-59.1	0	0	0	0	111.5	F202 R203 D204 D208 F209 E210 D366 M367	F202-T206 WeakPolarHBondContact O-CB 3.24Å; F202-T206 PolarHBondContact O-N 2.89Å; F202-T206 PolarHBondContact O-OG1 3.2Å; R203-T206 WeakPolarHBondContact O-CA 3.41Å; R203-T206 VanDerWaalsContact O-CB 3.3Å; R203-T206 WeakPolarHBondContact O-CB 3.39Å; R203-T206 PolarHBondContact O-N 2.98Å; R203-T206 VanDerWaalsContact O-N 3.16Å; D204-T206 PolarHBondContact O-N 3.21Å; T206-D208 VanDerWaalsContact C-N 3.35Å; T206-D208 PolarHBondContact O-N 3.23Å; T206-F209 PolarHBondContact O-N 2.75Å; T206-E210 WeakPolarHBondContact O-CB 3.31Å; T206-E210 PolarHBondContact O-N 3.33Å; T206-D366 VanDerWaalsContact OG1-CA 3.3Å; T206-D366 WeakPolarHBondContact OG1-CA 3.22Å; T206-D366 WeakPolarHBondContact OG1-CB 3.48Å; T206-M367 HydrophobicContact CG2-CB 3.78Å; T206-M367 HydrophobicContact CG2-CG 3.89Å; T206-M367 HydrophobicContact CG2-SD 4.22Å; T206-M367 PolarHBondContact OG1-N 2.88Å
207	A	98.9	Very high	98.7	Very high	52 Å²	52	41.8 Å²	41.8	43%	0.43	24%	0.24	S	C	.	.	H	α-helix	trans	-65.5	-35.3	180	0	0	0	0	0	112.6	R203 D204 V205 E210 G211	R203-A207 PolarHBondContact O-N 3.28Å; D204-A207 WeakPolarHBondContact O-CA 3.33Å; D204-A207 WeakPolarHBondContact O-CB 3.42Å; D204-A207 PolarHBondContact O-N 2.87Å; V205-A207 VanDerWaalsContact C-N 3.31Å; V205-A207 PolarHBondContact O-N 2.9Å; A207-E210 PolarHBondContact O-N 2.89Å; A207-G211 PolarHBondContact O-N 2.88Å
208	D	98.8	Very high	98.7	Very high	20 Å²	20	43.4 Å²	43.4	11%	0.107	25%	0.245	C	C	.	.	H	α-helix	trans	-62.5	-47.1	176.2	-61.7	-34	0	0	0	111.2	D204 V205 T206 G211 Q212 A270	D204-D208 PolarHBondContact O-N 3.45Å; D204-D208 VanDerWaalsContact O-N 3.08Å; V205-D208 PolarHBondContact O-N 2.78Å; T206-D208 VanDerWaalsContact C-N 3.35Å; T206-D208 PolarHBondContact O-N 3.23Å; D208-G211 PolarHBondContact O-N 2.94Å; D208-Q212 PolarHBondContact O-N 3.5Å; D208-Q212 VanDerWaalsContact O-N 3.08Å; D208-A270 HydrophobicContact CB-CB 4.48Å; D208-A270 WeakPolarHBondContact OD2-CB 3.22Å
209	F	98.9	Very high	98.7	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-69.9	-33	177.1	-76.8	-101	0	0	0	112.4	V205 T206 Q212 S213 T217 F266 L269 A270 V289 C293 L309 M367	V205-F209 HydrophobicContact CG1-CD2 4.47Å; V205-F209 HydrophobicContact CG1-CE2 4.44Å; V205-F209 WeakPolarHBondContact O-CD2 3.15Å; T206-F209 PolarHBondContact O-N 2.75Å; F209-Q212 PolarHBondContact O-N 3.16Å; F209-S213 PolarHBondContact O-N 3.07Å; F209-T217 VanDerWaalsContact C-CG2 3.44Å; F209-T217 HydrophobicContact CB-CG2 3.78Å; F209-F266 AromaticContact CD1-CD1 3.84Å; F209-F266 HydrophobicContact CD1-CD1 3.84Å; F209-F266 HydrophobicContact CD1-CE1 4.08Å; F209-F266 HydrophobicContact CD2-CD1 4.1Å; F209-F266 AromaticContact CE1-CD1 3.51Å; F209-F266 HydrophobicContact CE1-CD1 3.51Å; F209-F266 AromaticContact CE1-CE1 3.88Å; F209-F266 HydrophobicContact CE1-CE1 3.88Å; F209-F266 HydrophobicContact CE2-CB 3.96Å; F209-F266 AromaticContact CE2-CD1 3.76Å; F209-F266 HydrophobicContact CE2-CD1 3.76Å; F209-F266 HydrophobicContact CE2-CG 4.35Å; F209-F266 HydrophobicContact CG-CD1 4.15Å; F209-F266 HydrophobicContact CZ-CB 4.16Å; F209-F266 AromaticContact CZ-CD1 3.46Å; F209-F266 HydrophobicContact CZ-CD1 3.46Å; F209-F266 VanDerWaalsContact CZ-CD1 3.46Å; F209-F266 HydrophobicContact CZ-CE1 4.27Å; F209-F266 HydrophobicContact CZ-CG 4.21Å; F209-L269 HydrophobicContact CZ-CB 3.95Å; F209-L269 HydrophobicContact CZ-CD1 4.07Å; F209-A270 HydrophobicContact CE2-CB 4.39Å; F209-V289 HydrophobicContact CD1-CG1 3.95Å; F209-V289 HydrophobicContact CD2-CG1 4.03Å; F209-V289 HydrophobicContact CE1-CG1 3.98Å; F209-V289 HydrophobicContact CE2-CG1 4.1Å; F209-V289 HydrophobicContact CE2-CG2 4Å; F209-V289 HydrophobicContact CG-CG1 3.96Å; F209-V289 HydrophobicContact CZ-CB 4.42Å; F209-V289 HydrophobicContact CZ-CG1 4.07Å; F209-V289 HydrophobicContact CZ-CG2 4.09Å; F209-C293 VanDerWaalsContact CD1-SG 3.57Å; F209-L309 HydrophobicContact CE1-CD1 4.08Å; F209-M367 HydrophobicContact CB-CE 3.88Å; F209-M367 HydrophobicContact CB-SD 4.32Å; F209-M367 HydrophobicContact CD1-CE 4.39Å; F209-M367 HydrophobicContact CD2-CE 3.97Å; F209-M367 HydrophobicContact CG-CE 3.81Å
210	E	98.7	Very high	98.7	Very high	75 Å²	75	38.9 Å²	38.9	35%	0.35	22%	0.217	S	C	.	.	H	α-helix	trans	-66	-46.1	174.5	-173.8	66.4	-153	0	0	111	T206 A207 Q212 S213 P214 T217	T206-E210 WeakPolarHBondContact O-CB 3.31Å; T206-E210 PolarHBondContact O-N 3.33Å; A207-E210 PolarHBondContact O-N 2.89Å; E210-Q212 PolarHBondContact O-N 3.41Å; E210-S213 CarbonylContact O-C 3.52Å; E210-S213 PolarHBondContact O-N 3.14Å; E210-P214 WeakPolarHBondContact O-CD 3.23Å; E210-P214 WeakPolarHBondContact OE1-CA 3.44Å; E210-P214 VanDerWaalsContact OE1-CB 3.24Å; E210-P214 WeakPolarHBondContact OE1-CB 3.42Å; E210-P214 WeakPolarHBondContact OE1-CG 3.5Å; E210-T217 VanDerWaalsContact CA-CG2 3.47Å; E210-T217 HydrophobicContact CB-CG2 3.93Å; E210-T217 WeakPolarHBondContact OE2-CB 3.34Å; E210-T217 WeakPolarHBondContact OE2-CG2 3.16Å; E210-T217 PolarHBondContact OE2-OG1 3.19Å
211	G	98.2	Very high	98.7	Very high	74 Å²	74	42 Å²	42	76%	0.763	23%	0.228	S	C	*	.	H	α-helix	trans	-61.5	-31.6	176.6	0	0	0	0	0	112.4	A207 D208	A207-G211 PolarHBondContact O-N 2.88Å; D208-G211 PolarHBondContact O-N 2.94Å
212	Q	98	Very high	98.7	Very high	77 Å²	77	45.2 Å²	45.2	36%	0.36	24%	0.243	S	C	.	.	H	α-helix	trans	-74	-47.3	172.5	-178.2	54.9	73.7	0	0	112.8	D208 F209 E210 V289 K290 C293	D208-Q212 PolarHBondContact O-N 3.5Å; D208-Q212 VanDerWaalsContact O-N 3.08Å; F209-Q212 PolarHBondContact O-N 3.16Å; E210-Q212 PolarHBondContact O-N 3.41Å; Q212-V289 HydrophobicContact CB-CG1 3.99Å; Q212-V289 HydrophobicContact CG-CG1 4.27Å; Q212-K290 HydrophobicContact CG-CB 4.3Å; Q212-K290 VanDerWaalsContact OE1-CB 3.29Å; Q212-C293 HydrophobicContact CG-CB 4.34Å
213	S	98.3	Very high	98.7	Very high	26 Å²	26	45.2 Å²	45.2	18%	0.182	24%	0.243	C	C	.	.			trans	-167.4	116.8	178.7	176.5	0	0	0	0	112.2	F209 E210 K215 C216 T217	F209-S213 PolarHBondContact O-N 3.07Å; E210-S213 CarbonylContact O-C 3.52Å; E210-S213 PolarHBondContact O-N 3.14Å; S213-K215 PolarHBondContact O-N 2.89Å; S213-K215 VanDerWaalsContact O-N 3.13Å; S213-K215 PolarHBondContact OG-N 3.22Å; S213-C216 WeakPolarHBondContact O-CA 3.24Å; S213-C216 WeakPolarHBondContact O-CB 3.32Å; S213-C216 PolarHBondContact O-N 3.47Å; S213-C216 PolarHBondContact OG-N 2.83Å; S213-T217 PolarHBondContact O-N 3.47Å
214	P	98.6	Very high	98.7	Very high	81 Å²	81	41.3 Å²	41.3	53%	0.526	23%	0.229	S	C	.	.	H	α-helix	trans	-58.3	-28.3	172.3	-28.1	36.2	0	0	0	113.6	E210 C216 T217 Q218	E210-P214 WeakPolarHBondContact O-CD 3.23Å; E210-P214 WeakPolarHBondContact OE1-CA 3.44Å; E210-P214 VanDerWaalsContact OE1-CB 3.24Å; E210-P214 WeakPolarHBondContact OE1-CB 3.42Å; E210-P214 WeakPolarHBondContact OE1-CG 3.5Å; P214-C216 VanDerWaalsContact C-N 3.3Å; P214-C216 PolarHBondContact O-N 2.81Å; P214-T217 PolarHBondContact O-OG1 3.19Å; P214-T217 VanDerWaalsContact O-OG1 3.13Å; P214-Q218 WeakPolarHBondContact O-CB 3.46Å; P214-Q218 PolarHBondContact O-N 2.97Å; P214-Q218 VanDerWaalsContact O-N 3.13Å
215	K	98.7	Very high	98.7	Very high	161 Å²	161	40.7 Å²	40.7	70%	0.7	23%	0.232	S	C	*	.	H	α-helix	trans	-68	-33.5	175	-64.8	-178.8	-177.6	176.8	0	111.5	S213 G219 L297	S213-K215 PolarHBondContact O-N 2.89Å; S213-K215 VanDerWaalsContact O-N 3.13Å; S213-K215 PolarHBondContact OG-N 3.22Å; K215-G219 PolarHBondContact O-N 3.35Å; K215-L297 HydrophobicContact CB-CD1 4.29Å; K215-L297 HydrophobicContact CB-CD2 4.24Å
216	C	98.8	Very high	98.7	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-64.7	-53.1	178.3	-178.5	0	0	0	0	110.4	S213 P214 Q218 G219 V220 C293 L297	S213-C216 WeakPolarHBondContact O-CA 3.24Å; S213-C216 WeakPolarHBondContact O-CB 3.32Å; S213-C216 PolarHBondContact O-N 3.47Å; S213-C216 PolarHBondContact OG-N 2.83Å; P214-C216 VanDerWaalsContact C-N 3.3Å; P214-C216 PolarHBondContact O-N 2.81Å; C216-Q218 VanDerWaalsContact C-N 3.29Å; C216-Q218 PolarHBondContact O-N 3.19Å; C216-G219 CarbonylContact O-C 3.6Å; C216-G219 WeakPolarHBondContact O-CA 3.26Å; C216-G219 PolarHBondContact O-N 3.2Å; C216-V220 WeakPolarHBondContact O-CG2 3.17Å; C216-V220 PolarHBondContact O-N 2.82Å; C216-C293 HydrophobicContact CB-CB 3.66Å; C216-C293 WeakPolarHBondContact CB-SG 3.28Å; C216-C293 WeakPolarHBondContact SG-CA 3.43Å; C216-C293 WeakPolarHBondContact SG-CB 3.23Å; C216-C293 CovalentContact SG-SG 2.04Å; C216-C293 PolarHBondContact SG-SG 2.91Å; C216-L297 HydrophobicContact CB-CD1 4.06Å
217	T	98.8	Very high	98.7	Very high	2 Å²	2	43.9 Å²	43.9	1%	0.012	25%	0.246	C	C	.	.	H	α-helix	trans	-64.1	-34.3	179.8	67.1	0	0	0	0	112.3	F209 E210 S213 P214 V220 R221 M367	F209-T217 VanDerWaalsContact C-CG2 3.44Å; F209-T217 HydrophobicContact CB-CG2 3.78Å; E210-T217 VanDerWaalsContact CA-CG2 3.47Å; E210-T217 HydrophobicContact CB-CG2 3.93Å; E210-T217 WeakPolarHBondContact OE2-CB 3.34Å; E210-T217 WeakPolarHBondContact OE2-CG2 3.16Å; E210-T217 PolarHBondContact OE2-OG1 3.19Å; S213-T217 PolarHBondContact O-N 3.47Å; P214-T217 PolarHBondContact O-OG1 3.19Å; P214-T217 VanDerWaalsContact O-OG1 3.13Å; T217-V220 PolarHBondContact O-N 2.89Å; T217-R221 VanDerWaalsContact CB-NH1 3.27Å; T217-R221 WeakPolarHBondContact O-CG 3.36Å; T217-R221 PolarHBondContact O-N 3.3Å; T217-R221 PolarHBondContact O-NH1 3.31Å; T217-R221 PolarHBondContact OG1-NH1 3.44Å; T217-M367 HydrophobicContact CG2-SD 3.86Å
218	Q	98.8	Very high	98.7	Very high	96 Å²	96	46.8 Å²	46.8	45%	0.449	25%	0.249	S	C	.	.	H	α-helix	trans	-62.5	-46.5	170.9	179.3	59.1	26.5	0	0	111.4	P214 C216 V220 R221 E222	P214-Q218 WeakPolarHBondContact O-CB 3.46Å; P214-Q218 PolarHBondContact O-N 2.97Å; P214-Q218 VanDerWaalsContact O-N 3.13Å; C216-Q218 VanDerWaalsContact C-N 3.29Å; C216-Q218 PolarHBondContact O-N 3.19Å; Q218-V220 VanDerWaalsContact C-N 3.29Å; Q218-V220 PolarHBondContact O-N 3.47Å; Q218-R221 PolarHBondContact O-N 2.96Å; Q218-E222 WeakPolarHBondContact CG-OE1 3.4Å; Q218-E222 PolarHBondContact NE2-OE1 3.21Å; Q218-E222 WeakPolarHBondContact O-CG 3.34Å; Q218-E222 PolarHBondContact O-N 2.96Å
219	G	98.8	Very high	98.7	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-61.5	-34.9	175.6	0	0	0	0	0	113.4	K215 C216 A223	K215-G219 PolarHBondContact O-N 3.35Å; C216-G219 CarbonylContact O-C 3.6Å; C216-G219 WeakPolarHBondContact O-CA 3.26Å; C216-G219 PolarHBondContact O-N 3.2Å; G219-A223 WeakPolarHBondContact O-CB 3.24Å; G219-A223 PolarHBondContact O-N 3.26Å
220	V	98.9	Very high	98.7	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-64.5	-49.4	173.7	174.3	0	0	0	0	111.1	C216 T217 Q218 E222 A223 F224 F266 L296 M367	C216-V220 WeakPolarHBondContact O-CG2 3.17Å; C216-V220 PolarHBondContact O-N 2.82Å; T217-V220 PolarHBondContact O-N 2.89Å; Q218-V220 VanDerWaalsContact C-N 3.29Å; Q218-V220 PolarHBondContact O-N 3.47Å; V220-E222 VanDerWaalsContact C-N 3.3Å; V220-E222 PolarHBondContact O-N 2.86Å; V220-A223 PolarHBondContact O-N 3.05Å; V220-A223 VanDerWaalsContact O-N 3.16Å; V220-F224 HydrophobicContact CG1-CD2 3.63Å; V220-F224 HydrophobicContact CG1-CE2 3.54Å; V220-F224 WeakPolarHBondContact O-CD2 3.48Å; V220-F224 PolarHBondContact O-N 3.07Å; V220-F266 HydrophobicContact CB-CZ 4.4Å; V220-F266 HydrophobicContact CG1-CE1 4.11Å; V220-F266 HydrophobicContact CG1-CE2 4.43Å; V220-F266 HydrophobicContact CG1-CZ 3.77Å; V220-F266 HydrophobicContact CG2-CE1 3.52Å; V220-F266 HydrophobicContact CG2-CZ 3.65Å; V220-L296 HydrophobicContact CG2-CD1 3.54Å; V220-M367 HydrophobicContact CB-SD 3.94Å; V220-M367 HydrophobicContact CG1-CB 4.39Å; V220-M367 HydrophobicContact CG1-CE 4.35Å; V220-M367 HydrophobicContact CG1-CG 3.93Å; V220-M367 HydrophobicContact CG1-SD 3.76Å; V220-M367 HydrophobicContact CG2-SD 4.14Å
221	R	98.9	Very high	98.7	Very high	81 Å²	81	47.5 Å²	47.5	31%	0.306	26%	0.255	S	S	.	.	H	α-helix	trans	-59.4	-42.3	176.9	-71.4	-178.8	-175.3	86.2	-2.5	111.7	T217 Q218 G225 M367	T217-R221 VanDerWaalsContact CB-NH1 3.27Å; T217-R221 WeakPolarHBondContact O-CG 3.36Å; T217-R221 PolarHBondContact O-N 3.3Å; T217-R221 PolarHBondContact O-NH1 3.31Å; T217-R221 PolarHBondContact OG1-NH1 3.44Å; Q218-R221 PolarHBondContact O-N 2.96Å; R221-G225 PolarHBondContact O-N 2.95Å; R221-M367 HydrophobicContact CG-CB 3.91Å
222	E	98.9	Very high	98.7	Very high	67 Å²	67	50.4 Å²	50.4	31%	0.313	25%	0.252	S	S	.	.	H	α-helix	trans	-61.4	-44	174.8	-72.7	168.8	-169.6	0	0	112	Q218 V220 G225 Q226 R302	Q218-E222 WeakPolarHBondContact CG-OE1 3.4Å; Q218-E222 PolarHBondContact NE2-OE1 3.21Å; Q218-E222 WeakPolarHBondContact O-CG 3.34Å; Q218-E222 PolarHBondContact O-N 2.96Å; V220-E222 VanDerWaalsContact C-N 3.3Å; V220-E222 PolarHBondContact O-N 2.86Å; E222-G225 PolarHBondContact O-N 2.78Å; E222-Q226 WeakPolarHBondContact O-CB 3.43Å; E222-Q226 VanDerWaalsContact O-CG 3.27Å; E222-Q226 WeakPolarHBondContact O-CG 3.15Å; E222-Q226 PolarHBondContact O-N 2.63Å; E222-R302 HydrophobicContact CB-CG 4.04Å; E222-R302 IonicContact OE2-CZ 3.42Å; E222-R302 IonicContact OE2-NE 2.65Å; E222-R302 PolarHBondContact OE2-NE 3.14Å; E222-R302 IonicContact OE2-NH2 2.76Å; E222-R302 PolarHBondContact OE2-NH2 3.05Å
223	A	98.9	Very high	98.7	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-62.8	-48	178.8	0	0	0	0	0	112.1	G219 V220 G225 Q226 I227 R302 L306	G219-A223 WeakPolarHBondContact O-CB 3.24Å; G219-A223 PolarHBondContact O-N 3.26Å; V220-A223 PolarHBondContact O-N 3.05Å; V220-A223 VanDerWaalsContact O-N 3.16Å; A223-G225 VanDerWaalsContact C-N 3.35Å; A223-G225 PolarHBondContact O-N 3.4Å; A223-Q226 PolarHBondContact O-N 3.04Å; A223-I227 WeakPolarHBondContact O-CG1 3.45Å; A223-I227 PolarHBondContact O-N 3.12Å; A223-R302 HydrophobicContact CB-CB 3.92Å; A223-R302 WeakPolarHBondContact CB-O 3.03Å; A223-L306 HydrophobicContact CB-CB 3.88Å; A223-L306 HydrophobicContact CB-CD2 3.95Å; A223-L306 HydrophobicContact CB-CG 4.38Å
224	F	98.9	Very high	98.7	Very high	4 Å²	4	54 Å²	54	2%	0.018	28%	0.276	C	S	.	.	H	α-helix	trans	-63.5	-40.4	176.4	-79.7	-59.6	0	0	0	112.3	V220 I227 K228 F259 A262 F266 L306 F368 P369	V220-F224 HydrophobicContact CG1-CD2 3.63Å; V220-F224 HydrophobicContact CG1-CE2 3.54Å; V220-F224 WeakPolarHBondContact O-CD2 3.48Å; V220-F224 PolarHBondContact O-N 3.07Å; F224-I227 PolarHBondContact O-N 2.86Å; F224-K228 PolarHBondContact O-N 3.44Å; F224-F259 AromaticContact CD1-CD1 3.6Å; F224-F259 HydrophobicContact CD1-CD1 3.6Å; F224-F259 AromaticContact CD1-CE1 3.68Å; F224-F259 HydrophobicContact CD1-CE1 3.68Å; F224-F259 HydrophobicContact CD1-CG 4.45Å; F224-F259 AromaticContact CE1-CD1 3.82Å; F224-F259 HydrophobicContact CE1-CD1 3.82Å; F224-F259 HydrophobicContact CE1-CE1 4.36Å; F224-A262 HydrophobicContact CE1-CB 3.83Å; F224-A262 HydrophobicContact CZ-CB 3.87Å; F224-F266 HydrophobicContact CE2-CE2 4.31Å; F224-F266 HydrophobicContact CZ-CE2 4.38Å; F224-L306 HydrophobicContact CD1-CD2 4.32Å; F224-L306 HydrophobicContact CE1-CD2 4.12Å; F224-L306 HydrophobicContact CE2-CD1 4.49Å; F224-L306 HydrophobicContact CZ-CD2 4.28Å; F224-F368 AromaticContact CE2-CD1 3.75Å; F224-F368 HydrophobicContact CE2-CD1 3.75Å; F224-F368 HydrophobicContact CE2-CE1 4.39Å; F224-F368 HydrophobicContact CZ-CD1 4.14Å; F224-P369 HydrophobicContact CB-CG 3.97Å; F224-P369 HydrophobicContact CD1-CG 3.48Å; F224-P369 VanDerWaalsContact CD1-CG 3.48Å; F224-P369 HydrophobicContact CD2-CG 4.48Å; F224-P369 HydrophobicContact CE1-CG 4.03Å; F224-P369 HydrophobicContact CG-CG 3.74Å
225	G	98.8	Very high	98.7	Very high	29 Å²	29	51.6 Å²	51.6	30%	0.299	26%	0.263	S	S	.	.	H	α-helix	trans	-58.4	-48.9	173.4	0	0	0	0	0	112.2	R221 E222 A223 I227 K228 D229	R221-G225 PolarHBondContact O-N 2.95Å; E222-G225 PolarHBondContact O-N 2.78Å; A223-G225 VanDerWaalsContact C-N 3.35Å; A223-G225 PolarHBondContact O-N 3.4Å; G225-I227 PolarHBondContact O-N 3.13Å; G225-K228 WeakPolarHBondContact O-CB 3.43Å; G225-K228 PolarHBondContact O-N 3.08Å; G225-D229 VanDerWaalsContact O-CG 3.31Å; G225-D229 PolarHBondContact O-N 2.65Å
226	Q	98.9	Very high	98.7	Very high	76 Å²	76	47.7 Å²	47.7	36%	0.355	24%	0.244	S	C	.	.	H	α-helix	trans	-60.8	-43.4	178.1	-74	175.6	24.3	0	0	112.6	E222 A223 K228 D229 L230 I303	E222-Q226 WeakPolarHBondContact O-CB 3.43Å; E222-Q226 VanDerWaalsContact O-CG 3.27Å; E222-Q226 WeakPolarHBondContact O-CG 3.15Å; E222-Q226 PolarHBondContact O-N 2.63Å; A223-Q226 PolarHBondContact O-N 3.04Å; Q226-K228 PolarHBondContact O-N 3.06Å; Q226-D229 PolarHBondContact O-N 3.29Å; Q226-L230 WeakPolarHBondContact O-CB 3.19Å; Q226-L230 VanDerWaalsContact O-CG 3.29Å; Q226-L230 WeakPolarHBondContact O-CG 3.49Å; Q226-L230 PolarHBondContact O-N 3.4Å; Q226-I303 HydrophobicContact CB-CD1 4.09Å; Q226-I303 HydrophobicContact CB-CG1 4.17Å
227	I	98.9	Very high	98.7	Very high	1 Å²	1	53 Å²	53	1%	0.005	27%	0.273	C	S	.	.	H	α-helix	trans	-60.4	-46.9	176.7	-69.7	166.6	0	0	0	110.4	A223 F224 G225 D229 L230 F231 V239 F243 L255 L258 F259 I303 L306	A223-I227 WeakPolarHBondContact O-CG1 3.45Å; A223-I227 PolarHBondContact O-N 3.12Å; F224-I227 PolarHBondContact O-N 2.86Å; G225-I227 PolarHBondContact O-N 3.13Å; I227-D229 PolarHBondContact O-N 2.8Å; I227-L230 PolarHBondContact O-N 2.84Å; I227-F231 HydrophobicContact CG2-CD2 4.14Å; I227-F231 HydrophobicContact CG2-CE2 4.25Å; I227-F231 WeakPolarHBondContact O-CD2 3.29Å; I227-F231 PolarHBondContact O-N 3.02Å; I227-F231 VanDerWaalsContact O-N 3.08Å; I227-V239 HydrophobicContact CG1-CG1 4.31Å; I227-V239 HydrophobicContact CG2-CG1 4.01Å; I227-F243 HydrophobicContact CD1-CD2 4.28Å; I227-L255 HydrophobicContact CG2-CD1 3.76Å; I227-L258 HydrophobicContact CG2-CD2 3.87Å; I227-F259 HydrophobicContact CB-CE1 3.95Å; I227-F259 HydrophobicContact CB-CZ 4.5Å; I227-F259 HydrophobicContact CG2-CD1 4.4Å; I227-F259 HydrophobicContact CG2-CE1 3.5Å; I227-F259 HydrophobicContact CG2-CZ 4.07Å; I227-I303 HydrophobicContact CD1-CG2 4.41Å; I227-I303 HydrophobicContact CG1-CD1 3.76Å; I227-I303 HydrophobicContact CG1-CG1 3.92Å; I227-I303 HydrophobicContact CG1-CG2 4.3Å; I227-L306 HydrophobicContact CD1-CD2 3.84Å
228	K	98.8	Very high	98.7	Very high	112 Å²	112	59.4 Å²	59.4	49%	0.487	30%	0.297	S	S	.	.	H	α-helix	trans	-59.1	-47.7	178.1	-176.4	179.7	173.2	-177.5	0	111.6	F224 G225 Q226 L230 F231 L232 F259	F224-K228 PolarHBondContact O-N 3.44Å; G225-K228 WeakPolarHBondContact O-CB 3.43Å; G225-K228 PolarHBondContact O-N 3.08Å; Q226-K228 PolarHBondContact O-N 3.06Å; K228-L230 PolarHBondContact O-N 2.86Å; K228-F231 PolarHBondContact O-N 3Å; K228-L232 HydrophobicContact CG-CD1 4.41Å; K228-L232 WeakPolarHBondContact O-CG 3.34Å; K228-L232 PolarHBondContact O-N 3.32Å; K228-F259 HydrophobicContact CB-CZ 4.1Å
229	D	98.8	Very high	98.7	Very high	84 Å²	84	54.9 Å²	54.9	45%	0.449	28%	0.276	S	S	.	.	H	α-helix	trans	-64.4	-40.2	-178	-69.8	-15.8	0	0	0	111.9	G225 Q226 I227 L232 Q233	G225-D229 VanDerWaalsContact O-CG 3.31Å; G225-D229 PolarHBondContact O-N 2.65Å; Q226-D229 PolarHBondContact O-N 3.29Å; I227-D229 PolarHBondContact O-N 2.8Å; D229-L232 PolarHBondContact O-N 3.02Å; D229-Q233 VanDerWaalsContact O-CG 3.24Å; D229-Q233 WeakPolarHBondContact O-CG 3.25Å; D229-Q233 PolarHBondContact O-N 3.21Å; D229-Q233 PolarHBondContact O-NE2 2.94Å
230	L	98.8	Very high	98.7	Very high	13 Å²	13	59.2 Å²	59.2	7%	0.068	29%	0.292	C	S	.	.	H	α-helix	trans	-64.3	-39.3	175.3	-72.4	172.7	0	0	0	112.3	Q226 I227 K228 Q233 G234 A235 R238 V239 I303	Q226-L230 WeakPolarHBondContact O-CB 3.19Å; Q226-L230 VanDerWaalsContact O-CG 3.29Å; Q226-L230 WeakPolarHBondContact O-CG 3.49Å; Q226-L230 PolarHBondContact O-N 3.4Å; I227-L230 PolarHBondContact O-N 2.84Å; K228-L230 PolarHBondContact O-N 2.86Å; L230-Q233 PolarHBondContact O-N 3.48Å; L230-G234 PolarHBondContact O-N 3.26Å; L230-A235 HydrophobicContact CB-CB 4.31Å; L230-A235 HydrophobicContact CD2-CB 3.9Å; L230-A235 PolarHBondContact O-N 2.03Å; L230-R238 HydrophobicContact CD1-CG 4.19Å; L230-V239 HydrophobicContact CB-CG2 3.55Å; L230-V239 HydrophobicContact CD1-CG2 3.78Å; L230-V239 HydrophobicContact CG-CG2 4.33Å; L230-I303 HydrophobicContact CD1-CD1 3.66Å
231	F	98.6	Very high	98.6	Very high	14 Å²	14	69.5 Å²	69.5	6%	0.061	33%	0.331	C	S	.	.	H	α-helix	trans	-63.3	-39.9	173.3	-97.4	-100.7	0	0	0	112.4	I227 K228 Q233 G234 Y236 V239 L249 D251 D254 L255 L258	I227-F231 HydrophobicContact CG2-CD2 4.14Å; I227-F231 HydrophobicContact CG2-CE2 4.25Å; I227-F231 WeakPolarHBondContact O-CD2 3.29Å; I227-F231 PolarHBondContact O-N 3.02Å; I227-F231 VanDerWaalsContact O-N 3.08Å; K228-F231 PolarHBondContact O-N 3Å; F231-Q233 VanDerWaalsContact C-N 3.25Å; F231-Q233 PolarHBondContact O-N 2.86Å; F231-G234 PolarHBondContact O-N 2.84Å; F231-G234 VanDerWaalsContact O-N 3.12Å; F231-Y236 AromaticContact CD1-CD1 3.66Å; F231-Y236 HydrophobicContact CD1-CD1 3.66Å; F231-Y236 AromaticContact CD1-CE1 3.65Å; F231-Y236 HydrophobicContact CD1-CE1 3.65Å; F231-Y236 AromaticContact CE1-CD1 3.85Å; F231-Y236 HydrophobicContact CE1-CD1 3.85Å; F231-Y236 HydrophobicContact CE1-CE1 4.16Å; F231-Y236 HydrophobicContact CG-CD1 4.12Å; F231-Y236 HydrophobicContact CG-CE1 4.24Å; F231-Y236 HydrophobicContact CZ-CD1 4.46Å; F231-V239 HydrophobicContact CD2-CB 4.47Å; F231-V239 HydrophobicContact CD2-CG2 3.93Å; F231-V239 HydrophobicContact CE2-CB 4.09Å; F231-V239 HydrophobicContact CE2-CG1 3.91Å; F231-V239 HydrophobicContact CE2-CG2 4.06Å; F231-L249 HydrophobicContact CE1-CB 4.32Å; F231-L249 HydrophobicContact CE2-CD1 4.02Å; F231-L249 HydrophobicContact CZ-CB 3.77Å; F231-L249 HydrophobicContact CZ-CD1 3.86Å; F231-L249 HydrophobicContact CZ-CG 4.29Å; F231-D251 WeakPolarHBondContact CE1-O 3.44Å; F231-D254 HydrophobicContact CE1-CB 4.45Å; F231-L255 HydrophobicContact CB-CD1 4.42Å; F231-L255 HydrophobicContact CB-CD2 4.04Å; F231-L255 HydrophobicContact CD1-CB 3.82Å; F231-L255 HydrophobicContact CD1-CD1 4.26Å; F231-L255 HydrophobicContact CD1-CD2 4.22Å; F231-L255 HydrophobicContact CD1-CG 4.33Å; F231-L255 HydrophobicContact CD2-CD1 3.62Å; F231-L255 HydrophobicContact CE1-CB 3.7Å; F231-L255 HydrophobicContact CE1-CD1 4.41Å; F231-L255 HydrophobicContact CE2-CB 4.49Å; F231-L255 HydrophobicContact CE2-CD1 3.77Å; F231-L255 HydrophobicContact CG-CB 4.28Å; F231-L255 HydrophobicContact CG-CD1 3.86Å; F231-L255 HydrophobicContact CG-CD2 4.08Å; F231-L255 HydrophobicContact CG-CG 4.3Å; F231-L255 HydrophobicContact CZ-CB 4.03Å; F231-L255 HydrophobicContact CZ-CD1 4.14Å; F231-L258 HydrophobicContact CE2-CD2 4.34Å
232	L	98.3	Very high	98.6	Very high	135 Å²	135	66.6 Å²	66.6	71%	0.707	32%	0.321	S	S	*	.	H	α-helix	trans	-64.8	-30.6	175.7	-70	173.1	0	0	0	112.6	K228 D229 G234	K228-L232 HydrophobicContact CG-CD1 4.41Å; K228-L232 WeakPolarHBondContact O-CG 3.34Å; K228-L232 PolarHBondContact O-N 3.32Å; D229-L232 PolarHBondContact O-N 3.02Å; L232-G234 VanDerWaalsContact C-N 3.28Å
233	Q	98.4	Very high	98.6	Very high	140 Å²	140	63.4 Å²	63.4	65%	0.654	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-4.8	175.8	-66.7	163.4	31.7	0	0	113.3	D229 L230 F231 A235	D229-Q233 VanDerWaalsContact O-CG 3.24Å; D229-Q233 WeakPolarHBondContact O-CG 3.25Å; D229-Q233 PolarHBondContact O-N 3.21Å; D229-Q233 PolarHBondContact O-NE2 2.94Å; L230-Q233 PolarHBondContact O-N 3.48Å; F231-Q233 VanDerWaalsContact C-N 3.25Å; F231-Q233 PolarHBondContact O-N 2.86Å; Q233-A235 HydrophobicContact CB-CB 4.44Å; Q233-A235 PolarHBondContact O-N 2.79Å
234	G	98.1	Very high	98.6	Very high	38 Å²	38	63.8 Å²	63.8	39%	0.392	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.8	15.2	-173	0	0	0	0	0	114.1	L230 F231 L232 Y236	L230-G234 PolarHBondContact O-N 3.26Å; F231-G234 PolarHBondContact O-N 2.84Å; F231-G234 VanDerWaalsContact O-N 3.12Å; L232-G234 VanDerWaalsContact C-N 3.28Å; G234-Y236 WeakPolarHBondContact O-CD2 3.42Å; G234-Y236 PolarHBondContact O-N 3.29Å
235	A	98.4	Very high	98.6	Very high	30 Å²	30	63.9 Å²	63.9	25%	0.248	31%	0.311	C	S	.	.			trans	-85.8	49.9	-177.5	0	0	0	0	0	112.2	L230 Q233 D237 R238 V239	L230-A235 HydrophobicContact CB-CB 4.31Å; L230-A235 HydrophobicContact CD2-CB 3.9Å; L230-A235 PolarHBondContact O-N 2.03Å; Q233-A235 HydrophobicContact CB-CB 4.44Å; Q233-A235 PolarHBondContact O-N 2.79Å; A235-D237 PolarHBondContact O-N 3.23Å; A235-R238 HydrophobicContact CB-CB 4.46Å; A235-R238 WeakPolarHBondContact O-CB 3.35Å; A235-R238 PolarHBondContact O-N 2.99Å; A235-V239 PolarHBondContact O-N 3.19Å
236	Y	98.4	Very high	98.6	Very high	79 Å²	79	64.5 Å²	64.5	31%	0.31	31%	0.31	S	S	.	.	H	α-helix	trans	-62.3	-39.9	-172	-47.9	-62.4	0	0	0	113.5	F231 G234 R238 V239 R240 L249	F231-Y236 AromaticContact CD1-CD1 3.66Å; F231-Y236 HydrophobicContact CD1-CD1 3.66Å; F231-Y236 AromaticContact CD1-CE1 3.65Å; F231-Y236 HydrophobicContact CD1-CE1 3.65Å; F231-Y236 AromaticContact CE1-CD1 3.85Å; F231-Y236 HydrophobicContact CE1-CD1 3.85Å; F231-Y236 HydrophobicContact CE1-CE1 4.16Å; F231-Y236 HydrophobicContact CG-CD1 4.12Å; F231-Y236 HydrophobicContact CG-CE1 4.24Å; F231-Y236 HydrophobicContact CZ-CD1 4.46Å; G234-Y236 WeakPolarHBondContact O-CD2 3.42Å; G234-Y236 PolarHBondContact O-N 3.29Å; Y236-R238 PolarHBondContact O-N 3.34Å; Y236-V239 PolarHBondContact O-N 3.02Å; Y236-V239 VanDerWaalsContact O-N 3.16Å; Y236-R240 PolarHBondContact O-N 2.57Å; Y236-L249 WeakPolarHBondContact CB-O 3.32Å
237	D	98.4	Very high	98.6	Very high	113 Å²	113	62.4 Å²	62.4	60%	0.604	30%	0.3	S	S	*	.	H	α-helix	trans	-62.6	-31.6	179.6	-74.5	-34.6	0	0	0	112.3	A235 R240 W241	A235-D237 PolarHBondContact O-N 3.23Å; D237-R240 PolarHBondContact O-N 3.01Å; D237-W241 VanDerWaalsContact O-CB 3.3Å; D237-W241 WeakPolarHBondContact O-CB 3.4Å; D237-W241 PolarHBondContact O-N 2.83Å
238	R	98.3	Very high	98.5	Very high	136 Å²	136	66.3 Å²	66.3	51%	0.513	33%	0.326	S	S	.	.	H	α-helix	trans	-67.3	-44.4	176.1	-173	171.1	177.1	-169.4	-3.9	111.2	L230 A235 Y236 W241 E242	L230-R238 HydrophobicContact CD1-CG 4.19Å; A235-R238 HydrophobicContact CB-CB 4.46Å; A235-R238 WeakPolarHBondContact O-CB 3.35Å; A235-R238 PolarHBondContact O-N 2.99Å; Y236-R238 PolarHBondContact O-N 3.34Å; R238-W241 PolarHBondContact O-N 2.64Å; R238-E242 HydrophobicContact CG-CG 4.35Å; R238-E242 WeakPolarHBondContact CG-OE1 3.47Å; R238-E242 IonicContact CZ-OE1 3.5Å; R238-E242 IonicContact NE-OE1 3.19Å; R238-E242 PolarHBondContact NE-OE1 3Å; R238-E242 IonicContact NH2-OE1 3.32Å; R238-E242 PolarHBondContact NH2-OE1 3.32Å; R238-E242 WeakPolarHBondContact O-CB 3.37Å; R238-E242 WeakPolarHBondContact O-CG 3.43Å; R238-E242 PolarHBondContact O-N 3.44Å
239	V	98.8	Very high	98.5	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-63.5	-46.2	175	-178.3	0	0	0	0	110.6	I227 L230 F231 A235 Y236 W241 F243 L249 L258	I227-V239 HydrophobicContact CG1-CG1 4.31Å; I227-V239 HydrophobicContact CG2-CG1 4.01Å; L230-V239 HydrophobicContact CB-CG2 3.55Å; L230-V239 HydrophobicContact CD1-CG2 3.78Å; L230-V239 HydrophobicContact CG-CG2 4.33Å; F231-V239 HydrophobicContact CD2-CB 4.47Å; F231-V239 HydrophobicContact CD2-CG2 3.93Å; F231-V239 HydrophobicContact CE2-CB 4.09Å; F231-V239 HydrophobicContact CE2-CG1 3.91Å; F231-V239 HydrophobicContact CE2-CG2 4.06Å; A235-V239 PolarHBondContact O-N 3.19Å; Y236-V239 PolarHBondContact O-N 3.02Å; Y236-V239 VanDerWaalsContact O-N 3.16Å; V239-W241 VanDerWaalsContact C-N 3.3Å; V239-W241 PolarHBondContact O-N 3.43Å; V239-F243 HydrophobicContact CG1-CB 4.45Å; V239-F243 WeakPolarHBondContact O-CB 3.32Å; V239-F243 PolarHBondContact O-N 3.11Å; V239-L249 HydrophobicContact CB-CD1 4.1Å; V239-L249 HydrophobicContact CG1-CD1 3.86Å; V239-L258 HydrophobicContact CG1-CD2 3.7Å
240	R	98.6	Very high	98.5	Very high	92 Å²	92	60.7 Å²	60.7	35%	0.347	31%	0.306	S	S	.	.	H	α-helix	trans	-53.9	-48.1	176.7	176.5	-172.4	-171.2	-169.1	-1.2	111.5	Y236 D237 G244 T245 C246 L249	Y236-R240 PolarHBondContact O-N 2.57Å; D237-R240 PolarHBondContact O-N 3.01Å; R240-G244 CarbonylContact O-C 3.47Å; R240-G244 WeakPolarHBondContact O-CA 3.32Å; R240-G244 PolarHBondContact O-N 3Å; R240-T245 WeakPolarHBondContact CA-OG1 3.07Å; R240-T245 WeakPolarHBondContact CG-OG1 3.31Å; R240-T245 PolarHBondContact O-N 3Å; R240-C246 PolarHBondContact NH2-O 2.87Å; R240-L249 HydrophobicContact CB-CD1 4.29Å; R240-L249 HydrophobicContact CB-CG 4.46Å
241	W	98.4	Very high	98.4	Very high	216 Å²	216	63.5 Å²	63.5	82%	0.818	32%	0.321	S	S	*	.	H	α-helix	trans	-70.9	-50.2	-176.7	-177.8	-100.2	0	0	0	112.6	D237 R238 V239 G244	D237-W241 VanDerWaalsContact O-CB 3.3Å; D237-W241 WeakPolarHBondContact O-CB 3.4Å; D237-W241 PolarHBondContact O-N 2.83Å; R238-W241 PolarHBondContact O-N 2.64Å; V239-W241 VanDerWaalsContact C-N 3.3Å; V239-W241 PolarHBondContact O-N 3.43Å; W241-G244 PolarHBondContact O-N 3.26Å
242	E	98.5	Very high	98.4	Very high	20 Å²	20	70.9 Å²	70.9	9%	0.093	35%	0.354	C	S	.	.	H	α-helix	trans	-67.6	-47.8	-177.3	-68.9	-174.8	-163.4	0	0	111.2	R238 G244 I303 R307	R238-E242 HydrophobicContact CG-CG 4.35Å; R238-E242 WeakPolarHBondContact CG-OE1 3.47Å; R238-E242 IonicContact CZ-OE1 3.5Å; R238-E242 IonicContact NE-OE1 3.19Å; R238-E242 PolarHBondContact NE-OE1 3Å; R238-E242 IonicContact NH2-OE1 3.32Å; R238-E242 PolarHBondContact NH2-OE1 3.32Å; R238-E242 WeakPolarHBondContact O-CB 3.37Å; R238-E242 WeakPolarHBondContact O-CG 3.43Å; R238-E242 PolarHBondContact O-N 3.44Å; E242-G244 VanDerWaalsContact C-N 3.33Å; E242-I303 HydrophobicContact CB-CB 4.16Å; E242-I303 HydrophobicContact CB-CG2 3.78Å; E242-R307 WeakPolarHBondContact O-CD 3.28Å
243	F	98.8	Very high	98.4	Very high	0 Å²	0	71.3 Å²	71.3	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-75.6	-23.2	177.4	-164.6	-94.9	0	0	0	112.8	I227 V239 T245 L258 F261 A262 I303 L306 R307 Y323	I227-F243 HydrophobicContact CD1-CD2 4.28Å; V239-F243 HydrophobicContact CG1-CB 4.45Å; V239-F243 WeakPolarHBondContact O-CB 3.32Å; V239-F243 PolarHBondContact O-N 3.11Å; F243-T245 HydrophobicContact CD1-CG2 3.81Å; F243-L258 HydrophobicContact CD1-CD1 3.38Å; F243-L258 HydrophobicContact CD2-CD1 4.47Å; F243-L258 HydrophobicContact CE1-CD1 3.22Å; F243-L258 HydrophobicContact CE2-CD1 4.34Å; F243-L258 HydrophobicContact CG-CD1 4.02Å; F243-L258 HydrophobicContact CZ-CD1 3.74Å; F243-F261 AromaticContact CE1-CD1 3.96Å; F243-F261 HydrophobicContact CE1-CD1 3.96Å; F243-F261 AromaticContact CE1-CE1 3.72Å; F243-F261 HydrophobicContact CE1-CE1 3.72Å; F243-F261 HydrophobicContact CZ-CD1 4.09Å; F243-F261 AromaticContact CZ-CE1 3.93Å; F243-F261 HydrophobicContact CZ-CE1 3.93Å; F243-A262 HydrophobicContact CZ-CB 4.27Å; F243-I303 HydrophobicContact CB-CG2 3.76Å; F243-I303 HydrophobicContact CD2-CG2 4.07Å; F243-I303 HydrophobicContact CG-CG2 4.44Å; F243-L306 HydrophobicContact CE2-CB 4.34Å; F243-L306 HydrophobicContact CE2-CD2 3.93Å; F243-L306 HydrophobicContact CE2-CG 3.93Å; F243-R307 HydrophobicContact CD2-CB 4.33Å; F243-R307 WeakPolarHBondContact O-CD 3.02Å; F243-R307 VanDerWaalsContact O-CG 3.23Å; F243-R307 WeakPolarHBondContact O-CG 3.34Å; F243-Y323 HydrophobicContact CD1-CD2 4.21Å; F243-Y323 AromaticContact CE1-CD2 3.83Å; F243-Y323 HydrophobicContact CE1-CD2 3.83Å; F243-Y323 HydrophobicContact CE1-CE2 4.43Å
244	G	98.6	Very high	98.4	Very high	7 Å²	7	65.3 Å²	65.3	7%	0.072	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.9	42.2	175.7	0	0	0	0	0	114.5	R240 W241 E242 C322 Y323	R240-G244 CarbonylContact O-C 3.47Å; R240-G244 WeakPolarHBondContact O-CA 3.32Å; R240-G244 PolarHBondContact O-N 3Å; W241-G244 PolarHBondContact O-N 3.26Å; E242-G244 VanDerWaalsContact C-N 3.33Å; G244-C322 CarbonylContact O-C 3Å; G244-C322 WeakPolarHBondContact O-CA 3.25Å; G244-C322 WeakPolarHBondContact O-CB 3.28Å; G244-Y323 PolarHBondContact O-N 3.34Å
245	T	98.8	Very high	98.4	Very high	6 Å²	6	64.7 Å²	64.7	4%	0.037	31%	0.309	C	S	.	.	B	Isolated β-bridge	trans	-77.7	141.7	175.8	63.7	0	0	0	0	112.1	R240 F243 Q247 L249 L258 Y323 I325	R240-T245 WeakPolarHBondContact CA-OG1 3.07Å; R240-T245 WeakPolarHBondContact CG-OG1 3.31Å; R240-T245 PolarHBondContact O-N 3Å; F243-T245 HydrophobicContact CD1-CG2 3.81Å; T245-Q247 PolarHBondContact OG1-O 2.85Å; T245-Q247 VanDerWaalsContact OG1-O 3.09Å; T245-L249 HydrophobicContact CG2-CD1 4.36Å; T245-L249 HydrophobicContact CG2-CD2 4.41Å; T245-L258 HydrophobicContact CG2-CD1 4.2Å; T245-Y323 WeakPolarHBondContact CA-O 3.34Å; T245-I325 HydrophobicContact CG2-CG2 3.89Å
246	C	98.6	Very high	98.4	Very high	42 Å²	42	65.6 Å²	65.6	28%	0.284	31%	0.312	S	S	.	.	S	Bend	trans	-67.9	-53.4	179	-62	0	0	0	0	111.3	R240 C322 Y323 D324	R240-C246 PolarHBondContact NH2-O 2.87Å; C246-C322 WeakPolarHBondContact CA-SG 3.48Å; C246-C322 HydrophobicContact CB-CB 4Å; C246-C322 WeakPolarHBondContact CB-SG 3.5Å; C246-C322 WeakPolarHBondContact SG-CB 3.36Å; C246-C322 PolarHBondContact SG-O 2.95Å; C246-C322 CovalentContact SG-SG 2.04Å; C246-C322 PolarHBondContact SG-SG 3.48Å; C246-Y323 PolarHBondContact N-O 2.93Å; C246-Y323 VanDerWaalsContact SG-C 3.51Å; C246-D324 HydrophobicContact CB-CB 4.4Å; C246-D324 PolarHBondContact SG-N 3.39Å; C246-D324 VanDerWaalsContact SG-N 3.39Å
247	Q	98.3	Very high	98.4	Very high	33 Å²	33	62.6 Å²	62.6	15%	0.154	30%	0.301	C	S	.	.	S	Bend	trans	-70.7	149.3	177.1	64.7	-67.7	-25.3	0	0	112.2	T245 Y323 I325 Y326	T245-Q247 PolarHBondContact OG1-O 2.85Å; T245-Q247 VanDerWaalsContact OG1-O 3.09Å; Q247-Y323 PolarHBondContact OE1-O 3.25Å; Q247-I325 VanDerWaalsContact NE2-CD1 3.26Å; Q247-Y326 HydrophobicContact CG-CD2 4.31Å; Q247-Y326 HydrophobicContact CG-CE2 4.41Å
248	P	98.3	Very high	98.5	Very high	83 Å²	83	57.2 Å²	57.2	54%	0.539	27%	0.272	S	S	.	.			trans	-61.7	153	163.2	29.9	-34.7	0	0	0	110.5
249	L	98.6	Very high	98.5	Very high	7 Å²	7	51.3 Å²	51.3	4%	0.037	25%	0.25	C	S	.	.			trans	-112.7	142.6	176.7	-54.2	172.9	0	0	0	108	F231 Y236 V239 R240 T245 D254 L258 I325	F231-L249 HydrophobicContact CE1-CB 4.32Å; F231-L249 HydrophobicContact CE2-CD1 4.02Å; F231-L249 HydrophobicContact CZ-CB 3.77Å; F231-L249 HydrophobicContact CZ-CD1 3.86Å; F231-L249 HydrophobicContact CZ-CG 4.29Å; Y236-L249 WeakPolarHBondContact CB-O 3.32Å; V239-L249 HydrophobicContact CB-CD1 4.1Å; V239-L249 HydrophobicContact CG1-CD1 3.86Å; R240-L249 HydrophobicContact CB-CD1 4.29Å; R240-L249 HydrophobicContact CB-CG 4.46Å; T245-L249 HydrophobicContact CG2-CD1 4.36Å; T245-L249 HydrophobicContact CG2-CD2 4.41Å; L249-D254 HydrophobicContact CB-CB 4.36Å; L249-D254 HydrophobicContact CD2-CB 3.98Å; L249-L258 HydrophobicContact CD1-CD2 4.35Å; L249-I325 HydrophobicContact CD2-CD1 4.14Å
250	S	97.7	Very high	98.5	Very high	70 Å²	70	52.5 Å²	52.5	49%	0.49	26%	0.256	S	S	.	.			trans	-148.2	-27.7	-171.4	61.3	0	0	0	0	115.1	D254	S250-D254 PolarHBondContact N-OD2 2.93Å; S250-D254 PolarHBondContact OG-OD2 3.2Å
251	D	97.5	Very high	98.5	Very high	73 Å²	73	48.1 Å²	48.1	39%	0.39	24%	0.239	S	C	.	.	S	Bend	trans	-141.5	-177.8	-169.6	70.4	23	0	0	0	113.8	F231 K253 D254 L255	F231-D251 WeakPolarHBondContact CE1-O 3.44Å; D251-K253 VanDerWaalsContact C-N 3.26Å; D251-K253 PolarHBondContact O-N 3.42Å; D251-K253 WeakPolarHBondContact OD1-CA 3.37Å; D251-K253 WeakPolarHBondContact OD1-CB 3.41Å; D251-K253 PolarHBondContact OD1-N 3.33Å; D251-D254 PolarHBondContact N-OD2 2.82Å; D251-D254 PolarHBondContact O-N 3.1Å; D251-D254 PolarHBondContact OD1-N 3.22Å; D251-L255 PolarHBondContact O-N 3.07Å
252	K	97.6	Very high	98.5	Very high	169 Å²	169	37.9 Å²	37.9	74%	0.735	20%	0.201	S	C	*	.	H	α-helix	trans	-65.6	-28.8	178.6	-174.8	174.6	178.3	179.7	0	112.5	L255 T256	K252-L255 PolarHBondContact O-N 2.69Å; K252-T256 PolarHBondContact O-N 2.96Å; K252-T256 PolarHBondContact O-OG1 2.88Å; K252-T256 VanDerWaalsContact O-OG1 3.11Å
253	K	98.3	Very high	98.6	Very high	143 Å²	143	37 Å²	37	62%	0.622	20%	0.197	S	C	*	.	H	α-helix	trans	-68.8	-43.3	178.4	-176.4	-173.2	175.5	-176.5	0	109.9	D251 L255 T256 Q257	D251-K253 VanDerWaalsContact C-N 3.26Å; D251-K253 PolarHBondContact O-N 3.42Å; D251-K253 WeakPolarHBondContact OD1-CA 3.37Å; D251-K253 WeakPolarHBondContact OD1-CB 3.41Å; D251-K253 PolarHBondContact OD1-N 3.33Å; K253-L255 VanDerWaalsContact C-N 3.31Å; K253-L255 PolarHBondContact O-N 2.86Å; K253-T256 PolarHBondContact O-N 2.93Å; K253-Q257 WeakPolarHBondContact O-CB 3.2Å; K253-Q257 PolarHBondContact O-N 2.93Å
254	D	98.7	Very high	98.6	Very high	14 Å²	14	37.9 Å²	37.9	8%	0.075	20%	0.202	C	C	.	.	H	α-helix	trans	-59.6	-42.4	173.1	-67.6	-31.8	0	0	0	111.7	F231 L249 S250 D251 Q257 L258 Y326	F231-D254 HydrophobicContact CE1-CB 4.45Å; L249-D254 HydrophobicContact CB-CB 4.36Å; L249-D254 HydrophobicContact CD2-CB 3.98Å; S250-D254 PolarHBondContact N-OD2 2.93Å; S250-D254 PolarHBondContact OG-OD2 3.2Å; D251-D254 PolarHBondContact N-OD2 2.82Å; D251-D254 PolarHBondContact O-N 3.1Å; D251-D254 PolarHBondContact OD1-N 3.22Å; D254-Q257 PolarHBondContact O-N 2.99Å; D254-L258 VanDerWaalsContact O-CB 3.3Å; D254-L258 WeakPolarHBondContact O-CB 3.27Å; D254-L258 PolarHBondContact O-N 3.32Å; D254-Y326 WeakPolarHBondContact OD1-CE2 3.33Å; D254-Y326 PolarHBondContact OD1-OH 2.84Å
255	L	98.8	Very high	98.6	Very high	25 Å²	25	37.6 Å²	37.6	13%	0.131	20%	0.198	C	C	.	.	H	α-helix	trans	-63.2	-47.7	175.9	-176.7	57.3	0	0	0	112.2	I227 F231 D251 K252 K253 Q257 L258 F259	I227-L255 HydrophobicContact CG2-CD1 3.76Å; F231-L255 HydrophobicContact CB-CD1 4.42Å; F231-L255 HydrophobicContact CB-CD2 4.04Å; F231-L255 HydrophobicContact CD1-CB 3.82Å; F231-L255 HydrophobicContact CD1-CD1 4.26Å; F231-L255 HydrophobicContact CD1-CD2 4.22Å; F231-L255 HydrophobicContact CD1-CG 4.33Å; F231-L255 HydrophobicContact CD2-CD1 3.62Å; F231-L255 HydrophobicContact CE1-CB 3.7Å; F231-L255 HydrophobicContact CE1-CD1 4.41Å; F231-L255 HydrophobicContact CE2-CB 4.49Å; F231-L255 HydrophobicContact CE2-CD1 3.77Å; F231-L255 HydrophobicContact CG-CB 4.28Å; F231-L255 HydrophobicContact CG-CD1 3.86Å; F231-L255 HydrophobicContact CG-CD2 4.08Å; F231-L255 HydrophobicContact CG-CG 4.3Å; F231-L255 HydrophobicContact CZ-CB 4.03Å; F231-L255 HydrophobicContact CZ-CD1 4.14Å; D251-L255 PolarHBondContact O-N 3.07Å; K252-L255 PolarHBondContact O-N 2.69Å; K253-L255 VanDerWaalsContact C-N 3.31Å; K253-L255 PolarHBondContact O-N 2.86Å; L255-Q257 VanDerWaalsContact C-N 3.33Å; L255-Q257 PolarHBondContact O-N 2.74Å; L255-L258 PolarHBondContact O-N 2.96Å; L255-F259 HydrophobicContact CD1-CD1 4.17Å; L255-F259 HydrophobicContact CD1-CD2 4.08Å; L255-F259 HydrophobicContact CD1-CE1 3.68Å; L255-F259 HydrophobicContact CD1-CE2 3.57Å; L255-F259 HydrophobicContact CD1-CG 4.37Å; L255-F259 HydrophobicContact CD1-CZ 3.36Å; L255-F259 HydrophobicContact CD2-CE2 4.07Å; L255-F259 HydrophobicContact CD2-CZ 4.43Å; L255-F259 HydrophobicContact CG-CD2 4.01Å; L255-F259 HydrophobicContact CG-CE2 3.65Å; L255-F259 HydrophobicContact CG-CZ 4Å; L255-F259 WeakPolarHBondContact O-CB 3.27Å; L255-F259 WeakPolarHBondContact O-CG 3.08Å; L255-F259 PolarHBondContact O-N 2.95Å
256	T	98.8	Very high	98.6	Very high	49 Å²	49	37.3 Å²	37.3	30%	0.301	20%	0.197	S	C	.	.	H	α-helix	trans	-60.9	-43.8	177.2	-65.1	0	0	0	0	111.1	K252 K253 F259 M260 L371	K252-T256 PolarHBondContact O-N 2.96Å; K252-T256 PolarHBondContact O-OG1 2.88Å; K252-T256 VanDerWaalsContact O-OG1 3.11Å; K253-T256 PolarHBondContact O-N 2.93Å; T256-F259 PolarHBondContact O-N 3.16Å; T256-M260 HydrophobicContact CG2-CE 4.12Å; T256-M260 HydrophobicContact CG2-CG 4.49Å; T256-M260 HydrophobicContact CG2-SD 4.25Å; T256-M260 WeakPolarHBondContact O-CG 3.07Å; T256-M260 PolarHBondContact O-N 2.84Å; T256-L371 HydrophobicContact CG2-CD2 4.05Å
257	Q	98.9	Very high	98.6	Very high	16 Å²	16	35.4 Å²	35.4	8%	0.075	18%	0.184	C	C	.	.	H	α-helix	trans	-61.8	-45.7	177.3	-177.2	68.1	31.3	0	0	111.5	K253 D254 L255 F259 M260 F261 I325 Y326 Y329	K253-Q257 WeakPolarHBondContact O-CB 3.2Å; K253-Q257 PolarHBondContact O-N 2.93Å; D254-Q257 PolarHBondContact O-N 2.99Å; L255-Q257 VanDerWaalsContact C-N 3.33Å; L255-Q257 PolarHBondContact O-N 2.74Å; Q257-F259 VanDerWaalsContact C-N 3.34Å; Q257-F259 PolarHBondContact O-N 2.56Å; Q257-M260 PolarHBondContact O-N 3.48Å; Q257-F261 VanDerWaalsContact O-CB 3.25Å; Q257-F261 WeakPolarHBondContact O-CB 3.43Å; Q257-F261 PolarHBondContact O-N 3.32Å; Q257-I325 HydrophobicContact CB-CD1 4.24Å; Q257-I325 HydrophobicContact CB-CG1 4.49Å; Q257-I325 HydrophobicContact CG-CB 4.34Å; Q257-I325 HydrophobicContact CG-CD1 3.91Å; Q257-I325 HydrophobicContact CG-CG1 3.63Å; Q257-I325 PolarHBondContact NE2-O 2.77Å; Q257-Y326 HydrophobicContact CB-CD1 4.43Å; Q257-Y326 HydrophobicContact CB-CE1 3.82Å; Q257-Y326 HydrophobicContact CG-CD1 3.61Å; Q257-Y326 HydrophobicContact CG-CD2 4.32Å; Q257-Y326 HydrophobicContact CG-CE1 3.51Å; Q257-Y326 HydrophobicContact CG-CE2 4.25Å; Q257-Y326 HydrophobicContact CG-CG 4.04Å; Q257-Y329 PolarHBondContact NE2-O 3.02Å
258	L	98.9	Very high	98.6	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.005	18%	0.181	C	C	.	.	H	α-helix	trans	-60.5	-43.6	177.3	174.9	59.4	0	0	0	111.6	I227 F231 V239 F243 T245 L249 D254 L255 F261 A262 I325	I227-L258 HydrophobicContact CG2-CD2 3.87Å; F231-L258 HydrophobicContact CE2-CD2 4.34Å; V239-L258 HydrophobicContact CG1-CD2 3.7Å; F243-L258 HydrophobicContact CD1-CD1 3.38Å; F243-L258 HydrophobicContact CD2-CD1 4.47Å; F243-L258 HydrophobicContact CE1-CD1 3.22Å; F243-L258 HydrophobicContact CE2-CD1 4.34Å; F243-L258 HydrophobicContact CG-CD1 4.02Å; F243-L258 HydrophobicContact CZ-CD1 3.74Å; T245-L258 HydrophobicContact CG2-CD1 4.2Å; L249-L258 HydrophobicContact CD1-CD2 4.35Å; D254-L258 VanDerWaalsContact O-CB 3.3Å; D254-L258 WeakPolarHBondContact O-CB 3.27Å; D254-L258 PolarHBondContact O-N 3.32Å; L255-L258 PolarHBondContact O-N 2.96Å; L258-F261 PolarHBondContact O-N 2.78Å; L258-A262 WeakPolarHBondContact O-CB 3.37Å; L258-A262 PolarHBondContact O-N 2.85Å; L258-I325 HydrophobicContact CB-CD1 4.05Å; L258-I325 HydrophobicContact CD1-CG2 4.31Å
259	F	98.9	Very high	98.7	Very high	12 Å²	12	30.7 Å²	30.7	5%	0.053	16%	0.156	C	C	.	.	H	α-helix	trans	-66.1	-42.8	177.7	-71.2	-19.9	0	0	0	113	F224 I227 K228 L255 T256 Q257 A262 R263 P369 L371	F224-F259 AromaticContact CD1-CD1 3.6Å; F224-F259 HydrophobicContact CD1-CD1 3.6Å; F224-F259 AromaticContact CD1-CE1 3.68Å; F224-F259 HydrophobicContact CD1-CE1 3.68Å; F224-F259 HydrophobicContact CD1-CG 4.45Å; F224-F259 AromaticContact CE1-CD1 3.82Å; F224-F259 HydrophobicContact CE1-CD1 3.82Å; F224-F259 HydrophobicContact CE1-CE1 4.36Å; I227-F259 HydrophobicContact CB-CE1 3.95Å; I227-F259 HydrophobicContact CB-CZ 4.5Å; I227-F259 HydrophobicContact CG2-CD1 4.4Å; I227-F259 HydrophobicContact CG2-CE1 3.5Å; I227-F259 HydrophobicContact CG2-CZ 4.07Å; K228-F259 HydrophobicContact CB-CZ 4.1Å; L255-F259 HydrophobicContact CD1-CD1 4.17Å; L255-F259 HydrophobicContact CD1-CD2 4.08Å; L255-F259 HydrophobicContact CD1-CE1 3.68Å; L255-F259 HydrophobicContact CD1-CE2 3.57Å; L255-F259 HydrophobicContact CD1-CG 4.37Å; L255-F259 HydrophobicContact CD1-CZ 3.36Å; L255-F259 HydrophobicContact CD2-CE2 4.07Å; L255-F259 HydrophobicContact CD2-CZ 4.43Å; L255-F259 HydrophobicContact CG-CD2 4.01Å; L255-F259 HydrophobicContact CG-CE2 3.65Å; L255-F259 HydrophobicContact CG-CZ 4Å; L255-F259 WeakPolarHBondContact O-CB 3.27Å; L255-F259 WeakPolarHBondContact O-CG 3.08Å; L255-F259 PolarHBondContact O-N 2.95Å; T256-F259 PolarHBondContact O-N 3.16Å; Q257-F259 VanDerWaalsContact C-N 3.34Å; Q257-F259 PolarHBondContact O-N 2.56Å; F259-A262 PolarHBondContact O-N 2.95Å; F259-R263 VanDerWaalsContact O-CB 3.25Å; F259-R263 WeakPolarHBondContact O-CB 3.32Å; F259-R263 PolarHBondContact O-N 2.87Å; F259-P369 HydrophobicContact CB-CB 4.48Å; F259-P369 HydrophobicContact CB-CG 4.13Å; F259-P369 HydrophobicContact CD1-CG 3.86Å; F259-P369 HydrophobicContact CD2-CB 3.53Å; F259-P369 HydrophobicContact CD2-CG 3.55Å; F259-P369 HydrophobicContact CE1-CG 4.01Å; F259-P369 HydrophobicContact CE2-CB 3.73Å; F259-P369 HydrophobicContact CE2-CG 3.72Å; F259-P369 HydrophobicContact CG-CB 4.06Å; F259-P369 HydrophobicContact CG-CG 3.62Å; F259-P369 HydrophobicContact CZ-CB 4.4Å; F259-P369 HydrophobicContact CZ-CG 3.93Å; F259-L371 HydrophobicContact CB-CD1 4.1Å; F259-L371 HydrophobicContact CB-CD2 4.31Å
260	M	98.9	Very high	98.7	Very high	24 Å²	24	30.4 Å²	30.4	12%	0.118	15%	0.154	C	C	.	.	H	α-helix	trans	-66.4	-42.3	175.8	-69.9	-174.9	167.6	0	0	111.9	T256 Q257 A262 R263 N264 Y329 S331 L371	T256-M260 HydrophobicContact CG2-CE 4.12Å; T256-M260 HydrophobicContact CG2-CG 4.49Å; T256-M260 HydrophobicContact CG2-SD 4.25Å; T256-M260 WeakPolarHBondContact O-CG 3.07Å; T256-M260 PolarHBondContact O-N 2.84Å; Q257-M260 PolarHBondContact O-N 3.48Å; M260-A262 PolarHBondContact O-N 3.27Å; M260-R263 PolarHBondContact O-N 3.07Å; M260-N264 WeakPolarHBondContact O-CB 3.48Å; M260-N264 PolarHBondContact O-N 3.05Å; M260-Y329 HydrophobicContact CB-CD1 4.1Å; M260-Y329 HydrophobicContact CB-CE1 3.48Å; M260-Y329 VanDerWaalsContact CB-CE1 3.48Å; M260-Y329 HydrophobicContact SD-CE1 4.44Å; M260-S331 PolarHBondContact SD-OG 3.25Å; M260-S331 VanDerWaalsContact SD-OG 3.36Å; M260-L371 HydrophobicContact CE-CD2 4.44Å; M260-L371 HydrophobicContact CG-CD1 4.01Å; M260-L371 HydrophobicContact CG-CD2 4.36Å
261	F	98.9	Very high	98.7	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-55.6	-49	173.4	167.7	-91.8	0	0	0	111.6	F243 Q257 L258 N264 Y314 Y323 I325 L328 Y329	F243-F261 AromaticContact CE1-CD1 3.96Å; F243-F261 HydrophobicContact CE1-CD1 3.96Å; F243-F261 AromaticContact CE1-CE1 3.72Å; F243-F261 HydrophobicContact CE1-CE1 3.72Å; F243-F261 HydrophobicContact CZ-CD1 4.09Å; F243-F261 AromaticContact CZ-CE1 3.93Å; F243-F261 HydrophobicContact CZ-CE1 3.93Å; Q257-F261 VanDerWaalsContact O-CB 3.25Å; Q257-F261 WeakPolarHBondContact O-CB 3.43Å; Q257-F261 PolarHBondContact O-N 3.32Å; L258-F261 PolarHBondContact O-N 2.78Å; F261-N264 PolarHBondContact O-N 3.02Å; F261-Y314 HydrophobicContact CD1-CE2 4.29Å; F261-Y314 HydrophobicContact CD2-CD2 4.31Å; F261-Y314 HydrophobicContact CD2-CE1 4.05Å; F261-Y314 AromaticContact CD2-CE2 3.82Å; F261-Y314 HydrophobicContact CD2-CE2 3.82Å; F261-Y314 AromaticContact CD2-CZ 3.64Å; F261-Y314 AromaticContact CE1-CD2 3.89Å; F261-Y314 HydrophobicContact CE1-CD2 3.89Å; F261-Y314 AromaticContact CE1-CE2 3.92Å; F261-Y314 HydrophobicContact CE1-CE2 3.92Å; F261-Y314 AromaticContact CE2-CD1 3.65Å; F261-Y314 HydrophobicContact CE2-CD1 3.65Å; F261-Y314 AromaticContact CE2-CD2 3.45Å; F261-Y314 HydrophobicContact CE2-CD2 3.45Å; F261-Y314 VanDerWaalsContact CE2-CD2 3.45Å; F261-Y314 AromaticContact CE2-CE1 3.63Å; F261-Y314 HydrophobicContact CE2-CE1 3.63Å; F261-Y314 AromaticContact CE2-CE2 3.4Å; F261-Y314 HydrophobicContact CE2-CE2 3.4Å; F261-Y314 VanDerWaalsContact CE2-CE2 3.4Å; F261-Y314 AromaticContact CE2-CG 3.53Å; F261-Y314 HydrophobicContact CE2-CG 3.53Å; F261-Y314 AromaticContact CE2-CZ 3.47Å; F261-Y314 VanDerWaalsContact CE2-CZ 3.47Å; F261-Y314 HydrophobicContact CG-CE2 4.24Å; F261-Y314 HydrophobicContact CZ-CD1 4.16Å; F261-Y314 AromaticContact CZ-CD2 3.18Å; F261-Y314 HydrophobicContact CZ-CD2 3.18Å; F261-Y314 HydrophobicContact CZ-CE1 4.4Å; F261-Y314 AromaticContact CZ-CE2 3.46Å; F261-Y314 HydrophobicContact CZ-CE2 3.46Å; F261-Y314 VanDerWaalsContact CZ-CE2 3.46Å; F261-Y314 AromaticContact CZ-CG 3.53Å; F261-Y314 HydrophobicContact CZ-CG 3.53Å; F261-Y314 WeakPolarHBondContact O-CE2 3.46Å; F261-Y314 PolarHBondContact O-OH 3.45Å; F261-Y323 AromaticContact CE1-CD2 4Å; F261-Y323 HydrophobicContact CE1-CD2 4Å; F261-Y323 HydrophobicContact CE1-CG 4.13Å; F261-Y323 HydrophobicContact CZ-CD1 4.11Å; F261-Y323 HydrophobicContact CZ-CD2 4.08Å; F261-Y323 AromaticContact CZ-CG 3.77Å; F261-Y323 HydrophobicContact CZ-CG 3.77Å; F261-I325 HydrophobicContact CB-CB 4.17Å; F261-I325 HydrophobicContact CB-CG2 4.47Å; F261-I325 HydrophobicContact CD1-CG2 3.96Å; F261-I325 HydrophobicContact CD2-CB 4.2Å; F261-I325 HydrophobicContact CD2-CG2 4.3Å; F261-I325 HydrophobicContact CE1-CG2 4.29Å; F261-I325 HydrophobicContact CG-CB 4.04Å; F261-I325 HydrophobicContact CG-CG2 3.98Å; F261-L328 HydrophobicContact CD2-CB 4.25Å; F261-L328 HydrophobicContact CE2-CB 3.72Å; F261-L328 HydrophobicContact CE2-CD1 4.03Å; F261-L328 HydrophobicContact CZ-CD1 4.43Å; F261-Y329 HydrophobicContact CB-CG 4.49Å
262	A	98.9	Very high	98.8	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.008	12%	0.118	C	C	.	.	H	α-helix	trans	-67.9	-44.8	-179.9	0	0	0	0	0	111.8	F224 F243 L258 F259 M260 N264 A265 F266 L306	F224-A262 HydrophobicContact CE1-CB 3.83Å; F224-A262 HydrophobicContact CZ-CB 3.87Å; F243-A262 HydrophobicContact CZ-CB 4.27Å; L258-A262 WeakPolarHBondContact O-CB 3.37Å; L258-A262 PolarHBondContact O-N 2.85Å; F259-A262 PolarHBondContact O-N 2.95Å; M260-A262 PolarHBondContact O-N 3.27Å; A262-N264 VanDerWaalsContact C-N 3.28Å; A262-N264 PolarHBondContact O-N 3.36Å; A262-A265 WeakPolarHBondContact O-CB 3.48Å; A262-A265 PolarHBondContact O-N 2.89Å; A262-A265 VanDerWaalsContact O-N 3.07Å; A262-F266 WeakPolarHBondContact O-CD2 3.37Å; A262-L306 HydrophobicContact CB-CD2 4.43Å
263	R	98.9	Very high	98.8	Very high	2 Å²	2	17.6 Å²	17.6	1%	0.008	9%	0.088	C	C	.	.	H	α-helix	trans	-56.6	-42.3	176.4	-176.2	179.1	74	178.6	5.8	111.5	F202 F259 M260 A265 F266 T267 P335 S361 F368	F202-R263 HydrophobicContact CD1-CG 3.96Å; F202-R263 VanDerWaalsContact CE1-CD 3.42Å; F202-R263 HydrophobicContact CE1-CG 3.73Å; F202-R263 VanDerWaalsContact CE1-NE 3.34Å; F202-R263 VanDerWaalsContact CZ-NE 3.3Å; F259-R263 VanDerWaalsContact O-CB 3.25Å; F259-R263 WeakPolarHBondContact O-CB 3.32Å; F259-R263 PolarHBondContact O-N 2.87Å; M260-R263 PolarHBondContact O-N 3.07Å; R263-A265 PolarHBondContact O-N 3.21Å; R263-F266 WeakPolarHBondContact O-CB 3.3Å; R263-F266 PolarHBondContact O-N 3.4Å; R263-T267 PolarHBondContact O-N 2.93Å; R263-T267 VanDerWaalsContact O-N 3.16Å; R263-T267 PolarHBondContact O-OG1 3.2Å; R263-P335 PolarHBondContact NH2-O 3.12Å; R263-S361 PolarHBondContact NH1-OG 2.81Å; R263-F368 HydrophobicContact CB-CD1 4.12Å; R263-F368 HydrophobicContact CB-CE1 4.48Å; R263-F368 HydrophobicContact CG-CB 4.34Å; R263-F368 HydrophobicContact CG-CD1 3.76Å; R263-F368 HydrophobicContact CG-CD2 4.09Å; R263-F368 HydrophobicContact CG-CE1 4.03Å; R263-F368 HydrophobicContact CG-CE2 4.32Å; R263-F368 HydrophobicContact CG-CG 3.79Å; R263-F368 HydrophobicContact CG-CZ 4.29Å
264	N	98.9	Very high	98.9	Very high	19 Å²	19	10.8 Å²	10.8	10%	0.102	6%	0.058	C	C	.	.	H	α-helix	trans	-60	-30.9	177.9	-178.4	64.5	0	0	0	113	M260 F261 A262 F266 T267 V268 Y314 Y329 T336	M260-N264 WeakPolarHBondContact O-CB 3.48Å; M260-N264 PolarHBondContact O-N 3.05Å; F261-N264 PolarHBondContact O-N 3.02Å; A262-N264 VanDerWaalsContact C-N 3.28Å; A262-N264 PolarHBondContact O-N 3.36Å; N264-F266 VanDerWaalsContact C-N 3.3Å; N264-F266 PolarHBondContact O-N 3.4Å; N264-T267 WeakPolarHBondContact O-CB 3.14Å; N264-T267 PolarHBondContact O-N 2.91Å; N264-V268 WeakPolarHBondContact O-CG2 3.3Å; N264-V268 PolarHBondContact O-N 2.76Å; N264-Y314 WeakPolarHBondContact CB-OH 3.4Å; N264-Y314 PolarHBondContact ND2-OH 3.24Å; N264-Y329 HydrophobicContact CB-CD2 3.61Å; N264-Y329 HydrophobicContact CB-CE2 3.42Å; N264-Y329 VanDerWaalsContact CB-CE2 3.42Å; N264-T336 PolarHBondContact OD1-O 3.39Å
265	A	98.9	Very high	98.9	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-59.8	-43.2	174.2	0	0	0	0	0	111.5	A262 R263 V268 L269 L309 A310 V313 Y314	A262-A265 WeakPolarHBondContact O-CB 3.48Å; A262-A265 PolarHBondContact O-N 2.89Å; A262-A265 VanDerWaalsContact O-N 3.07Å; R263-A265 PolarHBondContact O-N 3.21Å; A265-V268 PolarHBondContact O-N 3.36Å; A265-L269 WeakPolarHBondContact O-CB 2.92Å; A265-L269 WeakPolarHBondContact O-CG 3.49Å; A265-L269 PolarHBondContact O-N 3.35Å; A265-L309 HydrophobicContact CB-CD2 4.28Å; A265-A310 HydrophobicContact CB-CB 4.15Å; A265-V313 HydrophobicContact CB-CB 4.36Å; A265-V313 HydrophobicContact CB-CG2 4.14Å; A265-Y314 HydrophobicContact CB-CE2 3.98Å
266	F	98.9	Very high	98.9	Very high	1 Å²	1	10.6 Å²	10.6	0%	0.004	6%	0.058	C	C	.	.	H	α-helix	trans	-66.4	-39.8	177	-62	-95.2	0	0	0	111.8	V205 F209 V220 F224 A262 R263 N264 L269 A270 L306 L309 M367 F368	V205-F266 HydrophobicContact CG1-CB 3.8Å; F209-F266 AromaticContact CD1-CD1 3.84Å; F209-F266 HydrophobicContact CD1-CD1 3.84Å; F209-F266 HydrophobicContact CD1-CE1 4.08Å; F209-F266 HydrophobicContact CD2-CD1 4.1Å; F209-F266 AromaticContact CE1-CD1 3.51Å; F209-F266 HydrophobicContact CE1-CD1 3.51Å; F209-F266 AromaticContact CE1-CE1 3.88Å; F209-F266 HydrophobicContact CE1-CE1 3.88Å; F209-F266 HydrophobicContact CE2-CB 3.96Å; F209-F266 AromaticContact CE2-CD1 3.76Å; F209-F266 HydrophobicContact CE2-CD1 3.76Å; F209-F266 HydrophobicContact CE2-CG 4.35Å; F209-F266 HydrophobicContact CG-CD1 4.15Å; F209-F266 HydrophobicContact CZ-CB 4.16Å; F209-F266 AromaticContact CZ-CD1 3.46Å; F209-F266 HydrophobicContact CZ-CD1 3.46Å; F209-F266 VanDerWaalsContact CZ-CD1 3.46Å; F209-F266 HydrophobicContact CZ-CE1 4.27Å; F209-F266 HydrophobicContact CZ-CG 4.21Å; V220-F266 HydrophobicContact CB-CZ 4.4Å; V220-F266 HydrophobicContact CG1-CE1 4.11Å; V220-F266 HydrophobicContact CG1-CE2 4.43Å; V220-F266 HydrophobicContact CG1-CZ 3.77Å; V220-F266 HydrophobicContact CG2-CE1 3.52Å; V220-F266 HydrophobicContact CG2-CZ 3.65Å; F224-F266 HydrophobicContact CE2-CE2 4.31Å; F224-F266 HydrophobicContact CZ-CE2 4.38Å; A262-F266 WeakPolarHBondContact O-CD2 3.37Å; R263-F266 WeakPolarHBondContact O-CB 3.3Å; R263-F266 PolarHBondContact O-N 3.4Å; N264-F266 VanDerWaalsContact C-N 3.3Å; N264-F266 PolarHBondContact O-N 3.4Å; F266-L269 PolarHBondContact O-N 3.1Å; F266-A270 VanDerWaalsContact O-CB 3.31Å; F266-A270 WeakPolarHBondContact O-CB 3.13Å; F266-A270 PolarHBondContact O-N 3.47Å; F266-L306 HydrophobicContact CE2-CD1 3.66Å; F266-L306 HydrophobicContact CZ-CD1 3.51Å; F266-L309 HydrophobicContact CD1-CD1 4.31Å; F266-L309 HydrophobicContact CD1-CD2 4.25Å; F266-L309 HydrophobicContact CD2-CD2 4.39Å; F266-L309 HydrophobicContact CE1-CD1 3.46Å; F266-L309 VanDerWaalsContact CE1-CD1 3.46Å; F266-L309 HydrophobicContact CE1-CD2 3.87Å; F266-L309 HydrophobicContact CE1-CG 4.36Å; F266-L309 HydrophobicContact CE2-CD2 4.03Å; F266-L309 HydrophobicContact CG-CD2 4.49Å; F266-L309 HydrophobicContact CZ-CD1 3.75Å; F266-L309 HydrophobicContact CZ-CD2 3.75Å; F266-L309 HydrophobicContact CZ-CG 4.41Å; F266-M367 HydrophobicContact CB-CE 4.39Å; F266-M367 HydrophobicContact CD1-CE 3.32Å; F266-M367 HydrophobicContact CE1-CE 3.73Å; F266-M367 HydrophobicContact CG-CE 3.97Å; F266-F368 HydrophobicContact CB-CE1 3.81Å; F266-F368 HydrophobicContact CB-CZ 3.67Å; F266-F368 HydrophobicContact CD1-CE1 4.27Å; F266-F368 AromaticContact CD2-CE1 3.57Å; F266-F368 HydrophobicContact CD2-CE1 3.57Å; F266-F368 HydrophobicContact CD2-CZ 4.32Å; F266-F368 HydrophobicContact CE2-CE1 4.19Å; F266-F368 AromaticContact CG-CE1 3.62Å; F266-F368 HydrophobicContact CG-CE1 3.62Å; F266-F368 AromaticContact CG-CZ 3.94Å; F266-F368 HydrophobicContact CG-CZ 3.94Å
267	T	98.9	Very high	98.8	Very high	2 Å²	2	12.7 Å²	12.7	1%	0.012	7%	0.072	C	C	.	.	H	α-helix	trans	-56.9	-51.7	174.6	-62.8	0	0	0	0	111.6	F201 R263 N264 L269 A270 M271	F201-T267 HydrophobicContact CE1-CG2 3.75Å; F201-T267 HydrophobicContact CZ-CG2 3.76Å; R263-T267 PolarHBondContact O-N 2.93Å; R263-T267 VanDerWaalsContact O-N 3.16Å; R263-T267 PolarHBondContact O-OG1 3.2Å; N264-T267 WeakPolarHBondContact O-CB 3.14Å; N264-T267 PolarHBondContact O-N 2.91Å; T267-L269 PolarHBondContact O-N 2.87Å; T267-A270 PolarHBondContact O-N 3.36Å; T267-M271 HydrophobicContact CG2-SD 3.72Å; T267-M271 WeakPolarHBondContact O-CB 3.46Å; T267-M271 VanDerWaalsContact O-CG 3.28Å; T267-M271 WeakPolarHBondContact O-CG 3.31Å; T267-M271 PolarHBondContact O-N 2.91Å
268	V	98.9	Very high	98.8	Very high	17 Å²	17	12.5 Å²	12.5	10%	0.103	7%	0.072	C	C	.	.	H	α-helix	trans	-62	-45.2	178.5	175	0	0	0	0	111.3	N264 A265 A270 M272 L281 L284 V313	N264-V268 WeakPolarHBondContact O-CG2 3.3Å; N264-V268 PolarHBondContact O-N 2.76Å; A265-V268 PolarHBondContact O-N 3.36Å; V268-A270 PolarHBondContact O-N 2.9Å; V268-M272 HydrophobicContact CG1-CG 4.27Å; V268-M272 VanDerWaalsContact O-CB 3.24Å; V268-M272 WeakPolarHBondContact O-CB 3.28Å; V268-M272 VanDerWaalsContact O-CG 3.26Å; V268-M272 WeakPolarHBondContact O-CG 3.27Å; V268-M272 PolarHBondContact O-N 2.66Å; V268-L281 HydrophobicContact CG1-CD1 4.33Å; V268-L284 HydrophobicContact CG1-CD1 4.21Å; V268-V313 HydrophobicContact CB-CG1 4.1Å; V268-V313 HydrophobicContact CB-CG2 3.99Å; V268-V313 HydrophobicContact CG1-CG1 4.1Å; V268-V313 HydrophobicContact CG1-CG2 4.02Å; V268-V313 HydrophobicContact CG2-CG1 4.11Å
269	L	98.9	Very high	98.7	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-63.5	-42.1	-179.3	-66.5	171.2	0	0	0	112.3	F209 A265 F266 T267 M272 D273 L284 P288 V289 L309 L312 V313	F209-L269 HydrophobicContact CZ-CB 3.95Å; F209-L269 HydrophobicContact CZ-CD1 4.07Å; A265-L269 WeakPolarHBondContact O-CB 2.92Å; A265-L269 WeakPolarHBondContact O-CG 3.49Å; A265-L269 PolarHBondContact O-N 3.35Å; F266-L269 PolarHBondContact O-N 3.1Å; T267-L269 PolarHBondContact O-N 2.87Å; L269-M272 CarbonylContact O-C 3.45Å; L269-M272 PolarHBondContact O-N 3.12Å; L269-D273 PolarHBondContact O-N 3.22Å; L269-D273 VanDerWaalsContact O-N 3.09Å; L269-L284 HydrophobicContact CD2-CD2 3.8Å; L269-P288 HydrophobicContact CD2-CB 3.74Å; L269-V289 HydrophobicContact CB-CG2 4.35Å; L269-V289 WeakPolarHBondContact O-CG2 3.29Å; L269-L309 HydrophobicContact CD1-CD2 3.65Å; L269-L309 HydrophobicContact CD1-CG 4.12Å; L269-L312 HydrophobicContact CD1-CD1 4.4Å; L269-L312 HydrophobicContact CD2-CB 3.88Å; L269-L312 HydrophobicContact CD2-CD1 4.01Å; L269-V313 HydrophobicContact CD2-CG2 3.92Å; L269-V313 HydrophobicContact CG-CG2 3.85Å
270	A	98.9	Very high	98.5	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-65.4	-50.3	177.2	0	0	0	0	0	111.7	V205 D208 F209 F266 T267 V268 M272 D273 P419	V205-A270 HydrophobicContact CG1-CB 4.2Å; V205-A270 HydrophobicContact CG2-CB 4.4Å; D208-A270 HydrophobicContact CB-CB 4.48Å; D208-A270 WeakPolarHBondContact OD2-CB 3.22Å; F209-A270 HydrophobicContact CE2-CB 4.39Å; F266-A270 VanDerWaalsContact O-CB 3.31Å; F266-A270 WeakPolarHBondContact O-CB 3.13Å; F266-A270 PolarHBondContact O-N 3.47Å; T267-A270 PolarHBondContact O-N 3.36Å; V268-A270 PolarHBondContact O-N 2.9Å; A270-M272 PolarHBondContact O-N 3.24Å; A270-D273 WeakPolarHBondContact O-CB 3.33Å; A270-D273 PolarHBondContact O-N 2.81Å; A270-P419 HydrophobicContact CB-CG 4.3Å
271	M	98.8	Very high	98.2	Very high	24 Å²	24	22.8 Å²	22.8	12%	0.118	13%	0.125	C	C	.	.	H	α-helix	trans	-58.1	-37.7	177.3	-70.8	171.6	60.7	0	0	111.7	T267 P419 W420 A442 H443	T267-M271 HydrophobicContact CG2-SD 3.72Å; T267-M271 WeakPolarHBondContact O-CB 3.46Å; T267-M271 VanDerWaalsContact O-CG 3.28Å; T267-M271 WeakPolarHBondContact O-CG 3.31Å; T267-M271 PolarHBondContact O-N 2.91Å; M271-P419 HydrophobicContact CG-CG 3.84Å; M271-W420 PolarHBondContact SD-NE1 3.42Å; M271-W420 VanDerWaalsContact SD-NE1 3.42Å; M271-A442 WeakPolarHBondContact O-CB 3.38Å; M271-H443 HydrophobicContact CB-CB 4.18Å; M271-H443 WeakPolarHBondContact O-CB 3.08Å; M271-H443 PolarHBondContact O-N 2.87Å
272	M	98.7	Very high	98.1	Very high	2 Å²	2	23.9 Å²	23.9	1%	0.01	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	23.7	-176.1	-57.8	-66.8	106.1	0	0	112.8	V268 L269 A270 Y274 F280 L281 L284 P288 H443	V268-M272 HydrophobicContact CG1-CG 4.27Å; V268-M272 VanDerWaalsContact O-CB 3.24Å; V268-M272 WeakPolarHBondContact O-CB 3.28Å; V268-M272 VanDerWaalsContact O-CG 3.26Å; V268-M272 WeakPolarHBondContact O-CG 3.27Å; V268-M272 PolarHBondContact O-N 2.66Å; L269-M272 CarbonylContact O-C 3.45Å; L269-M272 PolarHBondContact O-N 3.12Å; A270-M272 PolarHBondContact O-N 3.24Å; M272-Y274 HydrophobicContact CB-CD2 4.4Å; M272-Y274 HydrophobicContact CB-CE2 4.31Å; M272-Y274 HydrophobicContact CE-CE2 4.31Å; M272-Y274 PolarHBondContact O-N 3.41Å; M272-Y274 HydrophobicContact SD-CE2 3.63Å; M272-F280 HydrophobicContact CE-CD1 3.99Å; M272-F280 HydrophobicContact CE-CE1 4.47Å; M272-F280 HydrophobicContact SD-CB 4.23Å; M272-F280 HydrophobicContact SD-CD1 3.8Å; M272-L281 HydrophobicContact CE-CD1 4.19Å; M272-L281 HydrophobicContact CG-CD1 4.2Å; M272-L281 HydrophobicContact SD-CD1 4.26Å; M272-L281 HydrophobicContact SD-CG 4.31Å; M272-L284 HydrophobicContact CB-CD1 3.5Å; M272-L284 VanDerWaalsContact CB-CD1 3.5Å; M272-L284 HydrophobicContact CG-CD1 3.95Å; M272-P288 WeakPolarHBondContact O-CG 3.33Å; M272-H443 HydrophobicContact CE-CB 4.04Å
273	D	98.8	Very high	98	Very high	18 Å²	18	27.5 Å²	27.5	10%	0.096	16%	0.16	C	C	.	.			trans	-73	58.3	-177.9	-159.4	36.4	0	0	0	113.1	L269 A270 P288 V289 A442	L269-D273 PolarHBondContact O-N 3.22Å; L269-D273 VanDerWaalsContact O-N 3.09Å; A270-D273 WeakPolarHBondContact O-CB 3.33Å; A270-D273 PolarHBondContact O-N 2.81Å; D273-P288 VanDerWaalsContact OD1-CD 3.24Å; D273-P288 WeakPolarHBondContact OD1-CD 3.43Å; D273-V289 HydrophobicContact CB-CG2 3.74Å; D273-V289 VanDerWaalsContact CG-CG2 3.41Å; D273-V289 WeakPolarHBondContact OD1-CB 3.2Å; D273-V289 PolarHBondContact OD1-N 2.78Å; D273-A442 HydrophobicContact CB-CB 4Å
274	Y	98.8	Very high	98	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.163	C	C	.	.			trans	-84.1	149.2	-177.8	-59.4	-50.2	0	0	0	111.4	M272 Y276 T278 N287 A442 H443 L445	M272-Y274 HydrophobicContact CB-CD2 4.4Å; M272-Y274 HydrophobicContact CB-CE2 4.31Å; M272-Y274 HydrophobicContact CE-CE2 4.31Å; M272-Y274 PolarHBondContact O-N 3.41Å; M272-Y274 HydrophobicContact SD-CE2 3.63Å; Y274-Y276 PolarHBondContact O-N 3.06Å; Y274-Y276 VanDerWaalsContact O-N 3.12Å; Y274-T278 HydrophobicContact CD2-CG2 3.55Å; Y274-T278 HydrophobicContact CE2-CG2 4.28Å; Y274-T278 HydrophobicContact CG-CG2 4.18Å; Y274-N287 PolarHBondContact O-N 3.41Å; Y274-A442 HydrophobicContact CD1-CB 4.23Å; Y274-A442 HydrophobicContact CE1-CB 4.24Å; Y274-H443 VanDerWaalsContact CE1-O 3.31Å; Y274-H443 WeakPolarHBondContact CE1-O 3.38Å; Y274-H443 PolarHBondContact OH-O 3.07Å; Y274-L445 HydrophobicContact CD1-CB 4.32Å; Y274-L445 HydrophobicContact CD1-CD1 3.73Å; Y274-L445 HydrophobicContact CD1-CG 4.47Å; Y274-L445 HydrophobicContact CE1-CB 4.15Å; Y274-L445 HydrophobicContact CE1-CD1 4.15Å
275	P	98.6	Very high	98	Very high	24 Å²	24	29.1 Å²	29.1	16%	0.156	17%	0.172	C	C	.	.	S	Bend	trans	-75.5	-0.1	-175.4	30.5	-35.4	0	0	0	114.2	A286 E453	P275-A286 WeakPolarHBondContact O-CB 3.42Å; P275-E453 WeakPolarHBondContact CB-O 3.27Å; P275-E453 WeakPolarHBondContact CG-O 3.44Å
276	Y	98.6	Very high	98	Very high	11 Å²	11	30.6 Å²	30.6	4%	0.043	18%	0.184	C	C	.	.	S	Bend	trans	-142.6	162.3	-180	47.7	-100.2	0	0	0	110.8	Y274 T278 L445 R448 H451 E453 D454	Y274-Y276 PolarHBondContact O-N 3.06Å; Y274-Y276 VanDerWaalsContact O-N 3.12Å; Y276-T278 HydrophobicContact CD2-CG2 3.84Å; Y276-T278 HydrophobicContact CE2-CG2 3.78Å; Y276-L445 HydrophobicContact CE1-CD1 4.28Å; Y276-L445 WeakPolarHBondContact OH-CD1 3.35Å; Y276-R448 WeakPolarHBondContact OH-CB 3.39Å; Y276-H451 HydrophobicContact CD1-CB 3.75Å; Y276-H451 AromaticContact CD1-CG 3.5Å; Y276-H451 VanDerWaalsContact CD1-CG 3.5Å; Y276-H451 AromaticContact CD1-ND1 3.35Å; Y276-H451 VanDerWaalsContact CD1-ND1 3.35Å; Y276-H451 WeakPolarHBondContact CD1-ND1 3.24Å; Y276-H451 HydrophobicContact CE1-CB 3.44Å; Y276-H451 VanDerWaalsContact CE1-CB 3.44Å; Y276-H451 AromaticContact CE1-CG 3.71Å; Y276-H451 HydrophobicContact CG-CB 4.44Å; Y276-H451 AromaticContact CG-CE1 3.79Å; Y276-H451 AromaticContact CG-CG 3.78Å; Y276-H451 AromaticContact CG-ND1 3.56Å; Y276-E453 HydrophobicContact CD1-CB 4.16Å; Y276-D454 WeakPolarHBondContact CE1-OD1 3.33Å
277	P	98.6	Very high	98	Very high	93 Å²	93	33.9 Å²	33.9	60%	0.604	20%	0.201	S	C	*	.			trans	-62.5	142.4	179.9	-20.9	34.2	0	0	0	112.4	L284 A286	P277-L284 VanDerWaalsContact CA-O 3.3Å; P277-L284 WeakPolarHBondContact CA-O 3.2Å; P277-A286 HydrophobicContact CG-CB 4.43Å
278	T	98.2	Very high	98	Very high	12 Å²	12	33.9 Å²	33.9	7%	0.074	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	162	-178.8	56.8	0	0	0	0	111.7	Y274 Y276 P283 L284	Y274-T278 HydrophobicContact CD2-CG2 3.55Å; Y274-T278 HydrophobicContact CE2-CG2 4.28Å; Y274-T278 HydrophobicContact CG-CG2 4.18Å; Y276-T278 HydrophobicContact CD2-CG2 3.84Å; Y276-T278 HydrophobicContact CE2-CG2 3.78Å; T278-P283 CarbonylContact O-C 3.59Å; T278-P283 WeakPolarHBondContact O-CA 3.37Å; T278-L284 PolarHBondContact N-O 2.84Å; T278-L284 VanDerWaalsContact N-O 3.08Å; T278-L284 PolarHBondContact O-N 2.75Å
279	D	97.7	Very high	98	Very high	107 Å²	107	33.1 Å²	33.1	57%	0.572	20%	0.197	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-140.4	70.1	175.8	-169.9	15.9	0	0	0	109.6	G282 P283	D279-G282 WeakPolarHBondContact CA-O 3.44Å; D279-G282 VanDerWaalsContact OD1-CA 3.32Å; D279-G282 WeakPolarHBondContact OD1-CA 3.37Å; D279-P283 WeakPolarHBondContact OD1-CD 3.22Å
280	F	94.3	Very high	98	Very high	44 Å²	44	37.3 Å²	37.3	19%	0.193	22%	0.215	C	C	.	.	S	Bend	trans	-100.8	-67	179.1	-179.2	-137	0	0	0	111.6	A83 F84 N87 M272 G282 H444	A83-F280 HydrophobicContact CB-CE2 4.43Å; F84-F280 HydrophobicContact CD1-CE2 4.26Å; F84-F280 HydrophobicContact CD1-CZ 4.31Å; F84-F280 HydrophobicContact CE1-CE2 4.45Å; F84-F280 HydrophobicContact CE1-CZ 4.31Å; N87-F280 HydrophobicContact CB-CD2 3.93Å; N87-F280 HydrophobicContact CB-CE2 4.35Å; N87-F280 HydrophobicContact CB-CG 4.44Å; N87-F280 WeakPolarHBondContact ND2-CD2 3.33Å; M272-F280 HydrophobicContact CE-CD1 3.99Å; M272-F280 HydrophobicContact CE-CE1 4.47Å; M272-F280 HydrophobicContact SD-CB 4.23Å; M272-F280 HydrophobicContact SD-CD1 3.8Å; F280-G282 VanDerWaalsContact C-N 3.29Å; F280-H444 AromaticContact CE1-CE1 3.95Å; F280-H444 AromaticContact CE1-NE2 3.88Å
281	L	92.9	Very high	98	Very high	101 Å²	101	39 Å²	39	53%	0.529	23%	0.225	S	C	.	.	S	Bend	trans	-85.3	-8.4	170.2	-63.6	177.8	0	0	0	112.6	V268 M272	V268-L281 HydrophobicContact CG1-CD1 4.33Å; M272-L281 HydrophobicContact CE-CD1 4.19Å; M272-L281 HydrophobicContact CG-CD1 4.2Å; M272-L281 HydrophobicContact SD-CD1 4.26Å; M272-L281 HydrophobicContact SD-CG 4.31Å
282	G	95.2	Very high	98	Very high	24 Å²	24	37.9 Å²	37.9	25%	0.247	22%	0.22	C	C	.	.	S	Bend	trans	153.9	166.7	-176.7	0	0	0	0	0	110.2	D279 F280 L284	D279-G282 WeakPolarHBondContact CA-O 3.44Å; D279-G282 VanDerWaalsContact OD1-CA 3.32Å; D279-G282 WeakPolarHBondContact OD1-CA 3.37Å; F280-G282 VanDerWaalsContact C-N 3.29Å; G282-L284 PolarHBondContact O-N 3.41Å
283	P	97.9	Very high	98	Very high	76 Å²	76	37.9 Å²	37.9	49%	0.494	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	118.9	-174.5	25.4	-30.8	0	0	0	110.9	T278 D279 A316	T278-P283 CarbonylContact O-C 3.59Å; T278-P283 WeakPolarHBondContact O-CA 3.37Å; D279-P283 WeakPolarHBondContact OD1-CD 3.22Å; P283-A316 HydrophobicContact CG-CB 3.75Å; P283-A316 WeakPolarHBondContact O-CB 3.37Å
284	L	98.6	Very high	98	Very high	11 Å²	11	40.8 Å²	40.8	6%	0.058	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	146	-179.7	-72.6	172.8	0	0	0	111.5	V268 L269 M272 P277 T278 G282 P288 L312	V268-L284 HydrophobicContact CG1-CD1 4.21Å; L269-L284 HydrophobicContact CD2-CD2 3.8Å; M272-L284 HydrophobicContact CB-CD1 3.5Å; M272-L284 VanDerWaalsContact CB-CD1 3.5Å; M272-L284 HydrophobicContact CG-CD1 3.95Å; P277-L284 VanDerWaalsContact CA-O 3.3Å; P277-L284 WeakPolarHBondContact CA-O 3.2Å; T278-L284 PolarHBondContact N-O 2.84Å; T278-L284 VanDerWaalsContact N-O 3.08Å; T278-L284 PolarHBondContact O-N 2.75Å; G282-L284 PolarHBondContact O-N 3.41Å; L284-P288 HydrophobicContact CB-CB 4.38Å; L284-P288 HydrophobicContact CD2-CB 4.42Å; L284-L312 HydrophobicContact CD2-CB 4.28Å; L284-L312 WeakPolarHBondContact CD2-O 3.17Å
285	P	98.6	Very high	98	Very high	45 Å²	45	45.7 Å²	45.7	29%	0.292	25%	0.254	S	S	.	.			trans	-71.6	169.3	174.3	33.5	-36.6	0	0	0	111.1	P288 V291 L312	P285-P288 HydrophobicContact CG-CB 4.29Å; P285-P288 WeakPolarHBondContact O-CD 3.32Å; P285-V291 HydrophobicContact CB-CG2 4.3Å; P285-V291 HydrophobicContact CG-CB 4.08Å; P285-V291 HydrophobicContact CG-CG1 4.13Å; P285-V291 HydrophobicContact CG-CG2 3.93Å; P285-L312 HydrophobicContact CG-CD2 4.04Å
286	A	98.6	Very high	98	Very high	31 Å²	31	44.5 Å²	44.5	26%	0.256	25%	0.246	S	C	.	.	S	Bend	trans	-60.1	139.7	166.7	0	0	0	0	0	111.4	P275 P277	P275-A286 WeakPolarHBondContact O-CB 3.42Å; P277-A286 HydrophobicContact CG-CB 4.43Å
287	N	98.7	Very high	98	Very high	70 Å²	70	47 Å²	47	37%	0.374	26%	0.26	S	S	.	.	S	Bend	trans	50.6	57.2	-179.5	-47.6	-86.7	0	0	0	111.4	Y274 V289 K290 V291	Y274-N287 PolarHBondContact O-N 3.41Å; N287-V289 VanDerWaalsContact C-N 3.25Å; N287-V289 PolarHBondContact O-N 2.96Å; N287-K290 HydrophobicContact CB-CB 4.15Å; N287-K290 VanDerWaalsContact O-CB 3.3Å; N287-K290 WeakPolarHBondContact O-CB 3.26Å; N287-K290 PolarHBondContact O-N 3.19Å; N287-K290 VanDerWaalsContact O-N 3.07Å; N287-V291 PolarHBondContact O-N 3.16Å; N287-V291 VanDerWaalsContact O-N 3.16Å
288	P	98.8	Very high	98	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.006	26%	0.261	C	S	.	.	H	α-helix	trans	-63.8	-24.3	-170.5	27.5	-36.2	0	0	0	113.9	L269 M272 D273 L284 P285 V291 G292	L269-P288 HydrophobicContact CD2-CB 3.74Å; M272-P288 WeakPolarHBondContact O-CG 3.33Å; D273-P288 VanDerWaalsContact OD1-CD 3.24Å; D273-P288 WeakPolarHBondContact OD1-CD 3.43Å; L284-P288 HydrophobicContact CB-CB 4.38Å; L284-P288 HydrophobicContact CD2-CB 4.42Å; P285-P288 HydrophobicContact CG-CB 4.29Å; P285-P288 WeakPolarHBondContact O-CD 3.32Å; P288-V291 PolarHBondContact O-N 2.87Å; P288-G292 PolarHBondContact O-N 3.06Å
289	V	98.9	Very high	98	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.006	27%	0.274	C	S	.	.	H	α-helix	trans	-62.8	-46.3	171.4	172.8	0	0	0	0	110.4	F209 Q212 L269 D273 N287 V291 G292 C293	F209-V289 HydrophobicContact CD1-CG1 3.95Å; F209-V289 HydrophobicContact CD2-CG1 4.03Å; F209-V289 HydrophobicContact CE1-CG1 3.98Å; F209-V289 HydrophobicContact CE2-CG1 4.1Å; F209-V289 HydrophobicContact CE2-CG2 4Å; F209-V289 HydrophobicContact CG-CG1 3.96Å; F209-V289 HydrophobicContact CZ-CB 4.42Å; F209-V289 HydrophobicContact CZ-CG1 4.07Å; F209-V289 HydrophobicContact CZ-CG2 4.09Å; Q212-V289 HydrophobicContact CB-CG1 3.99Å; Q212-V289 HydrophobicContact CG-CG1 4.27Å; L269-V289 HydrophobicContact CB-CG2 4.35Å; L269-V289 WeakPolarHBondContact O-CG2 3.29Å; D273-V289 HydrophobicContact CB-CG2 3.74Å; D273-V289 VanDerWaalsContact CG-CG2 3.41Å; D273-V289 WeakPolarHBondContact OD1-CB 3.2Å; D273-V289 PolarHBondContact OD1-N 2.78Å; N287-V289 VanDerWaalsContact C-N 3.25Å; N287-V289 PolarHBondContact O-N 2.96Å; V289-V291 PolarHBondContact O-N 2.6Å; V289-G292 PolarHBondContact O-N 3.49Å; V289-C293 PolarHBondContact O-N 3.27Å
290	K	98.9	Very high	98	Very high	88 Å²	88	49.5 Å²	49.5	38%	0.383	29%	0.287	S	S	.	.	H	α-helix	trans	-56.9	-51	174.1	-173.1	-173.3	170.7	-63	0	111.5	Q212 N287 G292 C293 D294	Q212-K290 HydrophobicContact CG-CB 4.3Å; Q212-K290 VanDerWaalsContact OE1-CB 3.29Å; N287-K290 HydrophobicContact CB-CB 4.15Å; N287-K290 VanDerWaalsContact O-CB 3.3Å; N287-K290 WeakPolarHBondContact O-CB 3.26Å; N287-K290 PolarHBondContact O-N 3.19Å; N287-K290 VanDerWaalsContact O-N 3.07Å; K290-G292 VanDerWaalsContact C-N 3.29Å; K290-G292 PolarHBondContact O-N 3.12Å; K290-C293 PolarHBondContact O-N 3.24Å; K290-D294 IonicContact NZ-OD2 2.76Å; K290-D294 PolarHBondContact NZ-OD2 3.3Å; K290-D294 PolarHBondContact O-N 3.01Å
291	V	98.9	Very high	98.2	Very high	36 Å²	36	52 Å²	52	22%	0.218	30%	0.299	C	S	.	.	H	α-helix	trans	-63	-38.5	-178.4	-177.1	0	0	0	0	111.1	P285 N287 P288 V289 D294 R295 L312	P285-V291 HydrophobicContact CB-CG2 4.3Å; P285-V291 HydrophobicContact CG-CB 4.08Å; P285-V291 HydrophobicContact CG-CG1 4.13Å; P285-V291 HydrophobicContact CG-CG2 3.93Å; N287-V291 PolarHBondContact O-N 3.16Å; N287-V291 VanDerWaalsContact O-N 3.16Å; P288-V291 PolarHBondContact O-N 2.87Å; V289-V291 PolarHBondContact O-N 2.6Å; V291-D294 PolarHBondContact O-N 3.13Å; V291-R295 WeakPolarHBondContact O-CG 3.45Å; V291-R295 PolarHBondContact O-N 3.05Å; V291-L312 HydrophobicContact CB-CD1 4.16Å; V291-L312 HydrophobicContact CG1-CD1 4.03Å; V291-L312 HydrophobicContact CG1-CD2 4Å
292	G	98.8	Very high	98.4	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-60	-47.7	174.8	0	0	0	0	0	111.9	P288 V289 K290 R295 L296 L312	P288-G292 PolarHBondContact O-N 3.06Å; V289-G292 PolarHBondContact O-N 3.49Å; K290-G292 VanDerWaalsContact C-N 3.29Å; K290-G292 PolarHBondContact O-N 3.12Å; G292-R295 PolarHBondContact O-N 3.21Å; G292-L296 PolarHBondContact O-N 3.21Å; G292-L312 VanDerWaalsContact CA-CD1 3.45Å
293	C	98.9	Very high	98.6	Very high	2 Å²	2	49.3 Å²	49.3	1%	0.014	27%	0.274	C	S	.	.	H	α-helix	trans	-62.8	-42.4	175.9	-78.2	0	0	0	0	113.2	F209 Q212 C216 V289 K290 R295 L296 L297	F209-C293 VanDerWaalsContact CD1-SG 3.57Å; Q212-C293 HydrophobicContact CG-CB 4.34Å; C216-C293 HydrophobicContact CB-CB 3.66Å; C216-C293 WeakPolarHBondContact CB-SG 3.28Å; C216-C293 WeakPolarHBondContact SG-CA 3.43Å; C216-C293 WeakPolarHBondContact SG-CB 3.23Å; C216-C293 CovalentContact SG-SG 2.04Å; C216-C293 PolarHBondContact SG-SG 2.91Å; V289-C293 PolarHBondContact O-N 3.27Å; K290-C293 PolarHBondContact O-N 3.24Å; C293-R295 VanDerWaalsContact C-N 3.34Å; C293-R295 PolarHBondContact O-N 2.84Å; C293-L296 PolarHBondContact O-N 3.11Å; C293-L297 VanDerWaalsContact O-CB 3.32Å; C293-L297 WeakPolarHBondContact O-CB 3.4Å; C293-L297 VanDerWaalsContact O-CG 3.28Å; C293-L297 WeakPolarHBondContact O-CG 3.48Å; C293-L297 PolarHBondContact O-N 2.85Å
294	D	98.9	Very high	98.6	Very high	79 Å²	79	47.1 Å²	47.1	42%	0.422	26%	0.259	S	S	.	.	H	α-helix	trans	-60.3	-44.9	177.4	-70.7	-21.6	0	0	0	111	K290 V291 L297 S298	K290-D294 IonicContact NZ-OD2 2.76Å; K290-D294 PolarHBondContact NZ-OD2 3.3Å; K290-D294 PolarHBondContact O-N 3.01Å; V291-D294 PolarHBondContact O-N 3.13Å; D294-L297 PolarHBondContact O-N 3.1Å; D294-S298 WeakPolarHBondContact O-CB 3.37Å; D294-S298 PolarHBondContact O-N 3.45Å; D294-S298 PolarHBondContact O-OG 2.84Å
295	R	98.8	Very high	98.7	Very high	103 Å²	103	46.6 Å²	46.6	39%	0.389	26%	0.257	S	S	.	.	H	α-helix	trans	-63.6	-41.2	176.6	-73.7	-176.2	-179.5	-157.9	1.3	112.9	V291 G292 C293 S298 A308	V291-R295 WeakPolarHBondContact O-CG 3.45Å; V291-R295 PolarHBondContact O-N 3.05Å; G292-R295 PolarHBondContact O-N 3.21Å; C293-R295 VanDerWaalsContact C-N 3.34Å; C293-R295 PolarHBondContact O-N 2.84Å; R295-S298 PolarHBondContact O-OG 2.84Å; R295-A308 HydrophobicContact CB-CB 4.15Å; R295-A308 WeakPolarHBondContact CD-O 3.16Å
296	L	98.8	Very high	98.7	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-65.9	-43	178.5	-175.8	148.5	0	0	0	111.3	V220 G292 C293 G305 L306 L309	V220-L296 HydrophobicContact CG2-CD1 3.54Å; G292-L296 PolarHBondContact O-N 3.21Å; C293-L296 PolarHBondContact O-N 3.11Å; L296-G305 WeakPolarHBondContact CA-O 3.3Å; L296-L306 HydrophobicContact CD1-CD1 4.37Å; L296-L309 HydrophobicContact CB-CB 4.29Å; L296-L309 HydrophobicContact CB-CD1 4.14Å; L296-L309 HydrophobicContact CD1-CD1 3.85Å
297	L	98.7	Very high	98.7	Very high	62 Å²	62	46.5 Å²	46.5	33%	0.325	24%	0.244	S	C	.	.	H	α-helix	trans	-80.4	-19.7	-174.4	-69.2	172.8	0	0	0	113.7	K215 C216 C293 D294 E299	K215-L297 HydrophobicContact CB-CD1 4.29Å; K215-L297 HydrophobicContact CB-CD2 4.24Å; C216-L297 HydrophobicContact CB-CD1 4.06Å; C293-L297 VanDerWaalsContact O-CB 3.32Å; C293-L297 WeakPolarHBondContact O-CB 3.4Å; C293-L297 VanDerWaalsContact O-CG 3.28Å; C293-L297 WeakPolarHBondContact O-CG 3.48Å; C293-L297 PolarHBondContact O-N 2.85Å; D294-L297 PolarHBondContact O-N 3.1Å; L297-E299 VanDerWaalsContact C-N 3.28Å
298	S	98.4	Very high	98.7	Very high	89 Å²	89	44.3 Å²	44.3	62%	0.622	24%	0.236	S	C	*	.	H	α-helix	trans	-73.7	-19.3	174.3	60.4	0	0	0	0	113.6	D294 R295	D294-S298 WeakPolarHBondContact O-CB 3.37Å; D294-S298 PolarHBondContact O-N 3.45Å; D294-S298 PolarHBondContact O-OG 2.84Å; R295-S298 PolarHBondContact O-OG 2.84Å
299	E	98.5	Very high	98.7	Very high	74 Å²	74	44.3 Å²	44.3	35%	0.346	24%	0.236	S	C	.	.			trans	-86.3	137.2	-178.8	-68.1	-61.1	153.2	0	0	112.2	L297 T304 A308	L297-E299 VanDerWaalsContact C-N 3.28Å; E299-T304 HydrophobicContact CG-CG2 4.17Å; E299-A308 HydrophobicContact CG-CB 4.34Å
300	A	97.5	Very high	98.7	Very high	102 Å²	102	44.3 Å²	44.3	84%	0.843	24%	0.236	S	C	*	.	S	Bend	trans	-70.1	-35.9	178.1	0	0	0	0	0	112.3
301	Q	98.2	Very high	98.7	Very high	97 Å²	97	40.3 Å²	40.3	45%	0.453	22%	0.219	S	C	.	.	S	Bend	trans	-97.4	130.3	178	-69.7	176.9	-24.7	0	0	110.2	I303 T304 G305	Q301-I303 PolarHBondContact O-N 3.47Å; Q301-T304 PolarHBondContact O-N 2.89Å; Q301-T304 PolarHBondContact OE1-OG1 3.14Å; Q301-G305 PolarHBondContact O-N 3.28Å
302	R	98.4	Very high	98.7	Very high	68 Å²	68	38.9 Å²	38.9	26%	0.257	21%	0.211	S	C	.	.	H	α-helix	trans	-65.5	-38.3	-175.5	-66.3	-63	-175.6	-127	-0.3	113.4	E222 A223 G305 L306	E222-R302 HydrophobicContact CB-CG 4.04Å; E222-R302 IonicContact OE2-CZ 3.42Å; E222-R302 IonicContact OE2-NE 2.65Å; E222-R302 PolarHBondContact OE2-NE 3.14Å; E222-R302 IonicContact OE2-NH2 2.76Å; E222-R302 PolarHBondContact OE2-NH2 3.05Å; A223-R302 HydrophobicContact CB-CB 3.92Å; A223-R302 WeakPolarHBondContact CB-O 3.03Å; R302-G305 PolarHBondContact O-N 2.97Å; R302-L306 PolarHBondContact O-N 3.11Å
303	I	98.9	Very high	98.6	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-64.2	-42.2	176.4	-58.3	-175.1	0	0	0	110.8	Q226 I227 L230 E242 F243 Q301 L306 R307	Q226-I303 HydrophobicContact CB-CD1 4.09Å; Q226-I303 HydrophobicContact CB-CG1 4.17Å; I227-I303 HydrophobicContact CD1-CG2 4.41Å; I227-I303 HydrophobicContact CG1-CD1 3.76Å; I227-I303 HydrophobicContact CG1-CG1 3.92Å; I227-I303 HydrophobicContact CG1-CG2 4.3Å; L230-I303 HydrophobicContact CD1-CD1 3.66Å; E242-I303 HydrophobicContact CB-CB 4.16Å; E242-I303 HydrophobicContact CB-CG2 3.78Å; F243-I303 HydrophobicContact CB-CG2 3.76Å; F243-I303 HydrophobicContact CD2-CG2 4.07Å; F243-I303 HydrophobicContact CG-CG2 4.44Å; Q301-I303 PolarHBondContact O-N 3.47Å; I303-L306 PolarHBondContact O-N 3.44Å; I303-R307 PolarHBondContact O-N 3.22Å
304	T	98.8	Very high	98.6	Very high	30 Å²	30	41.6 Å²	41.6	18%	0.184	23%	0.225	C	C	.	.	H	α-helix	trans	-64.6	-39.8	174.6	-51.1	0	0	0	0	111.8	E299 Q301 L306 R307 A308	E299-T304 HydrophobicContact CG-CG2 4.17Å; Q301-T304 PolarHBondContact O-N 2.89Å; Q301-T304 PolarHBondContact OE1-OG1 3.14Å; T304-L306 PolarHBondContact O-N 3.48Å; T304-R307 WeakPolarHBondContact O-CB 3.28Å; T304-R307 PolarHBondContact O-N 3.23Å; T304-A308 WeakPolarHBondContact O-CB 3.38Å; T304-A308 PolarHBondContact O-N 3.38Å
305	G	98.8	Very high	98.6	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-59.9	-43.7	172.1	0	0	0	0	0	112.8	L296 Q301 R302 R307 A308 L309	L296-G305 WeakPolarHBondContact CA-O 3.3Å; Q301-G305 PolarHBondContact O-N 3.28Å; R302-G305 PolarHBondContact O-N 2.97Å; G305-R307 PolarHBondContact O-N 2.88Å; G305-A308 PolarHBondContact O-N 3.2Å; G305-L309 PolarHBondContact O-N 2.91Å
306	L	98.9	Very high	98.4	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-63.6	-40.7	175.4	-170.6	65.4	0	0	0	111.9	A223 F224 I227 F243 A262 F266 L296 R302 I303 T304 A308 L309 A310	A223-L306 HydrophobicContact CB-CB 3.88Å; A223-L306 HydrophobicContact CB-CD2 3.95Å; A223-L306 HydrophobicContact CB-CG 4.38Å; F224-L306 HydrophobicContact CD1-CD2 4.32Å; F224-L306 HydrophobicContact CE1-CD2 4.12Å; F224-L306 HydrophobicContact CE2-CD1 4.49Å; F224-L306 HydrophobicContact CZ-CD2 4.28Å; I227-L306 HydrophobicContact CD1-CD2 3.84Å; F243-L306 HydrophobicContact CE2-CB 4.34Å; F243-L306 HydrophobicContact CE2-CD2 3.93Å; F243-L306 HydrophobicContact CE2-CG 3.93Å; A262-L306 HydrophobicContact CB-CD2 4.43Å; F266-L306 HydrophobicContact CE2-CD1 3.66Å; F266-L306 HydrophobicContact CZ-CD1 3.51Å; L296-L306 HydrophobicContact CD1-CD1 4.37Å; R302-L306 PolarHBondContact O-N 3.11Å; I303-L306 PolarHBondContact O-N 3.44Å; T304-L306 PolarHBondContact O-N 3.48Å; L306-A308 VanDerWaalsContact C-N 3.34Å; L306-A308 PolarHBondContact O-N 2.83Å; L306-L309 PolarHBondContact O-N 3.08Å; L306-A310 WeakPolarHBondContact O-CB 3.25Å; L306-A310 PolarHBondContact O-N 3.3Å
307	R	98.9	Very high	98.1	Very high	74 Å²	74	41.5 Å²	41.5	28%	0.279	25%	0.246	S	C	.	.	H	α-helix	trans	-59.1	-43.2	172.5	174.2	-171.2	-176.2	160.5	0.3	112	E242 F243 I303 T304 G305 A310 G311 Y323	E242-R307 WeakPolarHBondContact O-CD 3.28Å; F243-R307 HydrophobicContact CD2-CB 4.33Å; F243-R307 WeakPolarHBondContact O-CD 3.02Å; F243-R307 VanDerWaalsContact O-CG 3.23Å; F243-R307 WeakPolarHBondContact O-CG 3.34Å; I303-R307 PolarHBondContact O-N 3.22Å; T304-R307 WeakPolarHBondContact O-CB 3.28Å; T304-R307 PolarHBondContact O-N 3.23Å; G305-R307 PolarHBondContact O-N 2.88Å; R307-A310 PolarHBondContact O-N 3.01Å; R307-G311 PolarHBondContact O-N 3.01Å; R307-Y323 HydrophobicContact CB-CE2 4.48Å; R307-Y323 HydrophobicContact CG-CE2 3.68Å; R307-Y323 PolarHBondContact O-OH 2.88Å
308	A	98.8	Very high	97.9	Very high	25 Å²	25	41.1 Å²	41.1	21%	0.207	26%	0.257	C	S	.	.	H	α-helix	trans	-67.7	-40.4	-178.5	0	0	0	0	0	112.3	R295 E299 T304 G305 L306 G311	R295-A308 HydrophobicContact CB-CB 4.15Å; R295-A308 WeakPolarHBondContact CD-O 3.16Å; E299-A308 HydrophobicContact CG-CB 4.34Å; T304-A308 WeakPolarHBondContact O-CB 3.38Å; T304-A308 PolarHBondContact O-N 3.38Å; G305-A308 PolarHBondContact O-N 3.2Å; L306-A308 VanDerWaalsContact C-N 3.34Å; L306-A308 PolarHBondContact O-N 2.83Å; A308-G311 PolarHBondContact O-N 2.6Å
309	L	98.8	Very high	97.8	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-62.7	-51.2	172.2	-178.4	159.4	0	0	0	110.9	F209 A265 F266 L269 L296 G305 L306 G311 L312	F209-L309 HydrophobicContact CE1-CD1 4.08Å; A265-L309 HydrophobicContact CB-CD2 4.28Å; F266-L309 HydrophobicContact CD1-CD1 4.31Å; F266-L309 HydrophobicContact CD1-CD2 4.25Å; F266-L309 HydrophobicContact CD2-CD2 4.39Å; F266-L309 HydrophobicContact CE1-CD1 3.46Å; F266-L309 VanDerWaalsContact CE1-CD1 3.46Å; F266-L309 HydrophobicContact CE1-CD2 3.87Å; F266-L309 HydrophobicContact CE1-CG 4.36Å; F266-L309 HydrophobicContact CE2-CD2 4.03Å; F266-L309 HydrophobicContact CG-CD2 4.49Å; F266-L309 HydrophobicContact CZ-CD1 3.75Å; F266-L309 HydrophobicContact CZ-CD2 3.75Å; F266-L309 HydrophobicContact CZ-CG 4.41Å; L269-L309 HydrophobicContact CD1-CD2 3.65Å; L269-L309 HydrophobicContact CD1-CG 4.12Å; L296-L309 HydrophobicContact CB-CB 4.29Å; L296-L309 HydrophobicContact CB-CD1 4.14Å; L296-L309 HydrophobicContact CD1-CD1 3.85Å; G305-L309 PolarHBondContact O-N 2.91Å; L306-L309 PolarHBondContact O-N 3.08Å; L309-G311 PolarHBondContact O-N 2.96Å; L309-G311 VanDerWaalsContact O-N 3.11Å; L309-L312 WeakPolarHBondContact O-CB 3.14Å; L309-L312 PolarHBondContact O-N 2.82Å
310	A	98.8	Very high	97.7	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.008	25%	0.246	C	C	.	.	H	α-helix	trans	-58.3	-28	178.3	0	0	0	0	0	112.5	A265 L306 R307 L312 V313 Y314	A265-A310 HydrophobicContact CB-CB 4.15Å; L306-A310 WeakPolarHBondContact O-CB 3.25Å; L306-A310 PolarHBondContact O-N 3.3Å; R307-A310 PolarHBondContact O-N 3.01Å; A310-L312 PolarHBondContact O-N 3.46Å; A310-V313 PolarHBondContact O-N 3.4Å; A310-V313 VanDerWaalsContact O-N 3.07Å; A310-Y314 HydrophobicContact CB-CD2 4.31Å; A310-Y314 WeakPolarHBondContact O-CD2 3.13Å; A310-Y314 PolarHBondContact O-N 3.39Å
311	G	98.7	Very high	97.6	Very high	4 Å²	4	42.8 Å²	42.8	4%	0.041	25%	0.245	C	C	.	.	H	α-helix	trans	-64.1	-19.3	176.2	0	0	0	0	0	115	R307 A308 L309 V313 N315 A316 Y323	R307-G311 PolarHBondContact O-N 3.01Å; A308-G311 PolarHBondContact O-N 2.6Å; L309-G311 PolarHBondContact O-N 2.96Å; L309-G311 VanDerWaalsContact O-N 3.11Å; G311-V313 PolarHBondContact O-N 2.85Å; G311-N315 CarbonylContact O-C 3.58Å; G311-N315 VanDerWaalsContact O-CA 3.24Å; G311-N315 WeakPolarHBondContact O-CA 3.45Å; G311-N315 PolarHBondContact O-N 2.86Å; G311-A316 PolarHBondContact O-N 3.22Å; G311-Y323 WeakPolarHBondContact CA-OH 3.29Å; G311-Y323 PolarHBondContact N-OH 3.5Å
312	L	98.5	Very high	97.6	Very high	7 Å²	7	40.2 Å²	40.2	4%	0.037	24%	0.237	C	C	.	.	H	α-helix	trans	-63.9	-34	170.6	-75.1	171.9	0	0	0	112.2	L269 L284 P285 V291 G292 L309 A310	L269-L312 HydrophobicContact CD1-CD1 4.4Å; L269-L312 HydrophobicContact CD2-CB 3.88Å; L269-L312 HydrophobicContact CD2-CD1 4.01Å; L284-L312 HydrophobicContact CD2-CB 4.28Å; L284-L312 WeakPolarHBondContact CD2-O 3.17Å; P285-L312 HydrophobicContact CG-CD2 4.04Å; V291-L312 HydrophobicContact CB-CD1 4.16Å; V291-L312 HydrophobicContact CG1-CD1 4.03Å; V291-L312 HydrophobicContact CG1-CD2 4Å; G292-L312 VanDerWaalsContact CA-CD1 3.45Å; L309-L312 WeakPolarHBondContact O-CB 3.14Å; L309-L312 PolarHBondContact O-N 2.82Å; A310-L312 PolarHBondContact O-N 3.46Å
313	V	98.6	Very high	97.7	Very high	36 Å²	36	37.3 Å²	37.3	22%	0.218	23%	0.226	C	C	.	.	H	α-helix	trans	-92.7	-44.6	-177.8	178.4	0	0	0	0	110.8	A265 V268 L269 A310 G311	A265-V313 HydrophobicContact CB-CB 4.36Å; A265-V313 HydrophobicContact CB-CG2 4.14Å; V268-V313 HydrophobicContact CB-CG1 4.1Å; V268-V313 HydrophobicContact CB-CG2 3.99Å; V268-V313 HydrophobicContact CG1-CG1 4.1Å; V268-V313 HydrophobicContact CG1-CG2 4.02Å; V268-V313 HydrophobicContact CG2-CG1 4.11Å; L269-V313 HydrophobicContact CD2-CG2 3.92Å; L269-V313 HydrophobicContact CG-CG2 3.85Å; A310-V313 PolarHBondContact O-N 3.4Å; A310-V313 VanDerWaalsContact O-N 3.07Å; G311-V313 PolarHBondContact O-N 2.85Å
314	Y	98.4	Very high	97.7	Very high	23 Å²	23	39.7 Å²	39.7	9%	0.09	24%	0.239	C	C	.	.	H	α-helix	trans	-103.6	-3.8	-170.6	-58.3	-69	0	0	0	114.7	F261 N264 A265 A310 E320 L328	F261-Y314 HydrophobicContact CD1-CE2 4.29Å; F261-Y314 HydrophobicContact CD2-CD2 4.31Å; F261-Y314 HydrophobicContact CD2-CE1 4.05Å; F261-Y314 AromaticContact CD2-CE2 3.82Å; F261-Y314 HydrophobicContact CD2-CE2 3.82Å; F261-Y314 AromaticContact CD2-CZ 3.64Å; F261-Y314 AromaticContact CE1-CD2 3.89Å; F261-Y314 HydrophobicContact CE1-CD2 3.89Å; F261-Y314 AromaticContact CE1-CE2 3.92Å; F261-Y314 HydrophobicContact CE1-CE2 3.92Å; F261-Y314 AromaticContact CE2-CD1 3.65Å; F261-Y314 HydrophobicContact CE2-CD1 3.65Å; F261-Y314 AromaticContact CE2-CD2 3.45Å; F261-Y314 HydrophobicContact CE2-CD2 3.45Å; F261-Y314 VanDerWaalsContact CE2-CD2 3.45Å; F261-Y314 AromaticContact CE2-CE1 3.63Å; F261-Y314 HydrophobicContact CE2-CE1 3.63Å; F261-Y314 AromaticContact CE2-CE2 3.4Å; F261-Y314 HydrophobicContact CE2-CE2 3.4Å; F261-Y314 VanDerWaalsContact CE2-CE2 3.4Å; F261-Y314 AromaticContact CE2-CG 3.53Å; F261-Y314 HydrophobicContact CE2-CG 3.53Å; F261-Y314 AromaticContact CE2-CZ 3.47Å; F261-Y314 VanDerWaalsContact CE2-CZ 3.47Å; F261-Y314 HydrophobicContact CG-CE2 4.24Å; F261-Y314 HydrophobicContact CZ-CD1 4.16Å; F261-Y314 AromaticContact CZ-CD2 3.18Å; F261-Y314 HydrophobicContact CZ-CD2 3.18Å; F261-Y314 HydrophobicContact CZ-CE1 4.4Å; F261-Y314 AromaticContact CZ-CE2 3.46Å; F261-Y314 HydrophobicContact CZ-CE2 3.46Å; F261-Y314 VanDerWaalsContact CZ-CE2 3.46Å; F261-Y314 AromaticContact CZ-CG 3.53Å; F261-Y314 HydrophobicContact CZ-CG 3.53Å; F261-Y314 WeakPolarHBondContact O-CE2 3.46Å; F261-Y314 PolarHBondContact O-OH 3.45Å; N264-Y314 WeakPolarHBondContact CB-OH 3.4Å; N264-Y314 PolarHBondContact ND2-OH 3.24Å; A265-Y314 HydrophobicContact CB-CE2 3.98Å; A310-Y314 HydrophobicContact CB-CD2 4.31Å; A310-Y314 WeakPolarHBondContact O-CD2 3.13Å; A310-Y314 PolarHBondContact O-N 3.39Å; Y314-E320 WeakPolarHBondContact O-CG 3.42Å; Y314-L328 HydrophobicContact CD1-CB 4.09Å; Y314-L328 HydrophobicContact CE1-CB 4.34Å
315	N	97.8	Very high	97.7	Very high	37 Å²	37	38.3 Å²	38.3	20%	0.198	23%	0.23	C	C	.	.			trans	-144.8	39.4	-179.9	-163.5	16.7	0	0	0	112.3	G311 S317 G318 S319 E320 Y323	G311-N315 CarbonylContact O-C 3.58Å; G311-N315 VanDerWaalsContact O-CA 3.24Å; G311-N315 WeakPolarHBondContact O-CA 3.45Å; G311-N315 PolarHBondContact O-N 2.86Å; N315-S317 PolarHBondContact O-N 2.79Å; N315-G318 PolarHBondContact O-N 3.29Å; N315-G318 WeakPolarHBondContact OD1-CA 3.32Å; N315-G318 PolarHBondContact OD1-N 3.31Å; N315-S319 PolarHBondContact OD1-N 2.76Å; N315-S319 VanDerWaalsContact OD1-N 3.08Å; N315-E320 HydrophobicContact CB-CB 4.29Å; N315-E320 PolarHBondContact ND2-O 3.34Å; N315-E320 WeakPolarHBondContact OD1-CB 3.49Å; N315-E320 PolarHBondContact OD1-N 3.48Å; N315-Y323 HydrophobicContact CB-CE1 4.06Å
316	A	94.7	Very high	97.6	Very high	52 Å²	52	41.1 Å²	41.1	43%	0.43	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-32.5	-177.2	0	0	0	0	0	112.8	P283 G311 G318	P283-A316 HydrophobicContact CG-CB 3.75Å; P283-A316 WeakPolarHBondContact O-CB 3.37Å; G311-A316 PolarHBondContact O-N 3.22Å; A316-G318 VanDerWaalsContact C-N 3.34Å
317	S	93.6	Very high	97.6	Very high	91 Å²	91	46.8 Å²	46.8	64%	0.636	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-17.5	174.3	57.5	0	0	0	0	114.2	N315 S319	N315-S317 PolarHBondContact O-N 2.79Å; S317-S319 PolarHBondContact O-N 3.11Å; S317-S319 PolarHBondContact OG-N 3.4Å; S317-S319 PolarHBondContact OG-OG 2.92Å
318	G	94.8	Very high	97.6	Very high	53 Å²	53	44.9 Å²	44.9	55%	0.546	26%	0.258	S	S	.	.	S	Bend	trans	73.1	8	-170	0	0	0	0	0	114.8	N315 A316	N315-G318 PolarHBondContact O-N 3.29Å; N315-G318 WeakPolarHBondContact OD1-CA 3.32Å; N315-G318 PolarHBondContact OD1-N 3.31Å; A316-G318 VanDerWaalsContact C-N 3.34Å
319	S	95.5	Very high	97.5	Very high	68 Å²	68	44.1 Å²	44.1	48%	0.476	25%	0.25	S	C	.	.			trans	-87.8	-17.3	-176.1	61.5	0	0	0	0	114.8	N315 S317 H321	N315-S319 PolarHBondContact OD1-N 2.76Å; N315-S319 VanDerWaalsContact OD1-N 3.08Å; S317-S319 PolarHBondContact O-N 3.11Å; S317-S319 PolarHBondContact OG-N 3.4Å; S317-S319 PolarHBondContact OG-OG 2.92Å; S319-H321 PolarHBondContact O-N 2.93Å
320	E	96.1	Very high	97.5	Very high	58 Å²	58	51.4 Å²	51.4	27%	0.271	28%	0.277	S	S	.	.			trans	-78.5	109.2	179.3	-59.2	-62.2	107.3	0	0	109.9	Y314 N315 C322 R327	Y314-E320 WeakPolarHBondContact O-CG 3.42Å; N315-E320 HydrophobicContact CB-CB 4.29Å; N315-E320 PolarHBondContact ND2-O 3.34Å; N315-E320 WeakPolarHBondContact OD1-CB 3.49Å; N315-E320 PolarHBondContact OD1-N 3.48Å; E320-C322 VanDerWaalsContact C-N 3.31Å; E320-R327 IonicContact OE2-NH2 3.02Å; E320-R327 PolarHBondContact OE2-NH2 3.48Å
321	H	96.3	Very high	97.5	Very high	174 Å²	174	54 Å²	54	81%	0.806	30%	0.295	S	S	*	.	S	Bend	trans	-71.7	-26.6	177.6	-61.1	-54.1	0	0	0	113	S319	S319-H321 PolarHBondContact O-N 2.93Å
322	C	98.4	Very high	97.5	Very high	43 Å²	43	54.2 Å²	54.2	29%	0.291	30%	0.296	S	S	.	.	S	Bend	trans	-150.7	163.2	176.3	58.3	0	0	0	0	109.7	G244 C246 E320	G244-C322 CarbonylContact O-C 3Å; G244-C322 WeakPolarHBondContact O-CA 3.25Å; G244-C322 WeakPolarHBondContact O-CB 3.28Å; C246-C322 WeakPolarHBondContact CA-SG 3.48Å; C246-C322 HydrophobicContact CB-CB 4Å; C246-C322 WeakPolarHBondContact CB-SG 3.5Å; C246-C322 WeakPolarHBondContact SG-CB 3.36Å; C246-C322 PolarHBondContact SG-O 2.95Å; C246-C322 CovalentContact SG-SG 2.04Å; C246-C322 PolarHBondContact SG-SG 3.48Å; E320-C322 VanDerWaalsContact C-N 3.31Å
323	Y	98.8	Very high	97.5	Very high	8 Å²	8	53.9 Å²	53.9	3%	0.031	29%	0.294	C	S	.	.	B	Isolated β-bridge	trans	-95.1	111.3	176.4	-60.2	-42.8	0	0	0	111.6	F243 G244 T245 C246 Q247 F261 R307 G311 N315 I325 L328	F243-Y323 HydrophobicContact CD1-CD2 4.21Å; F243-Y323 AromaticContact CE1-CD2 3.83Å; F243-Y323 HydrophobicContact CE1-CD2 3.83Å; F243-Y323 HydrophobicContact CE1-CE2 4.43Å; G244-Y323 PolarHBondContact O-N 3.34Å; T245-Y323 WeakPolarHBondContact CA-O 3.34Å; C246-Y323 PolarHBondContact N-O 2.93Å; C246-Y323 VanDerWaalsContact SG-C 3.51Å; Q247-Y323 PolarHBondContact OE1-O 3.25Å; F261-Y323 AromaticContact CE1-CD2 4Å; F261-Y323 HydrophobicContact CE1-CD2 4Å; F261-Y323 HydrophobicContact CE1-CG 4.13Å; F261-Y323 HydrophobicContact CZ-CD1 4.11Å; F261-Y323 HydrophobicContact CZ-CD2 4.08Å; F261-Y323 AromaticContact CZ-CG 3.77Å; F261-Y323 HydrophobicContact CZ-CG 3.77Å; R307-Y323 HydrophobicContact CB-CE2 4.48Å; R307-Y323 HydrophobicContact CG-CE2 3.68Å; R307-Y323 PolarHBondContact O-OH 2.88Å; G311-Y323 WeakPolarHBondContact CA-OH 3.29Å; G311-Y323 PolarHBondContact N-OH 3.5Å; N315-Y323 HydrophobicContact CB-CE1 4.06Å; Y323-I325 VanDerWaalsContact C-N 3.35Å; Y323-I325 PolarHBondContact O-N 3.39Å; Y323-I325 VanDerWaalsContact O-N 3.14Å; Y323-L328 HydrophobicContact CD1-CD1 4.18Å
324	D	98.6	Very high	97.5	Very high	50 Å²	50	52.4 Å²	52.4	27%	0.267	29%	0.285	S	S	.	.			trans	-78.4	88.7	162.8	-175.8	-22.5	0	0	0	108.6	C246 Y326 R327 L328	C246-D324 HydrophobicContact CB-CB 4.4Å; C246-D324 PolarHBondContact SG-N 3.39Å; C246-D324 VanDerWaalsContact SG-N 3.39Å; D324-Y326 PolarHBondContact O-N 2.95Å; D324-Y326 PolarHBondContact OD1-N 3.45Å; D324-R327 HydrophobicContact CB-CB 3.94Å; D324-R327 PolarHBondContact O-N 2.82Å; D324-R327 WeakPolarHBondContact OD1-CB 3.47Å; D324-R327 PolarHBondContact OD1-N 2.86Å; D324-R327 WeakPolarHBondContact OD2-CB 3.42Å; D324-R327 IonicContact OD2-NE 3.55Å; D324-L328 VanDerWaalsContact O-CB 3.27Å; D324-L328 WeakPolarHBondContact O-CB 3.31Å; D324-L328 VanDerWaalsContact O-CG 3.28Å; D324-L328 WeakPolarHBondContact O-CG 3.06Å; D324-L328 PolarHBondContact O-N 3.47Å
325	I	98.7	Very high	97.5	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-66.3	-21.3	-170.5	71.5	-169.9	0	0	0	112.8	T245 Q247 L249 Q257 L258 F261 Y323 Y329	T245-I325 HydrophobicContact CG2-CG2 3.89Å; Q247-I325 VanDerWaalsContact NE2-CD1 3.26Å; L249-I325 HydrophobicContact CD2-CD1 4.14Å; Q257-I325 HydrophobicContact CB-CD1 4.24Å; Q257-I325 HydrophobicContact CB-CG1 4.49Å; Q257-I325 HydrophobicContact CG-CB 4.34Å; Q257-I325 HydrophobicContact CG-CD1 3.91Å; Q257-I325 HydrophobicContact CG-CG1 3.63Å; Q257-I325 PolarHBondContact NE2-O 2.77Å; L258-I325 HydrophobicContact CB-CD1 4.05Å; L258-I325 HydrophobicContact CD1-CG2 4.31Å; F261-I325 HydrophobicContact CB-CB 4.17Å; F261-I325 HydrophobicContact CB-CG2 4.47Å; F261-I325 HydrophobicContact CD1-CG2 3.96Å; F261-I325 HydrophobicContact CD2-CB 4.2Å; F261-I325 HydrophobicContact CD2-CG2 4.3Å; F261-I325 HydrophobicContact CE1-CG2 4.29Å; F261-I325 HydrophobicContact CG-CB 4.04Å; F261-I325 HydrophobicContact CG-CG2 3.98Å; Y323-I325 VanDerWaalsContact C-N 3.35Å; Y323-I325 PolarHBondContact O-N 3.39Å; Y323-I325 VanDerWaalsContact O-N 3.14Å; I325-Y329 PolarHBondContact O-N 3.36Å
326	Y	98.4	Very high	97.6	Very high	60 Å²	60	50.4 Å²	50.4	24%	0.235	28%	0.277	C	S	.	.	H	α-helix	trans	-87.7	-30.1	178.4	-74.1	-77.7	0	0	0	112.3	Q247 D254 Q257 D324 R330	Q247-Y326 HydrophobicContact CG-CD2 4.31Å; Q247-Y326 HydrophobicContact CG-CE2 4.41Å; D254-Y326 WeakPolarHBondContact OD1-CE2 3.33Å; D254-Y326 PolarHBondContact OD1-OH 2.84Å; Q257-Y326 HydrophobicContact CB-CD1 4.43Å; Q257-Y326 HydrophobicContact CB-CE1 3.82Å; Q257-Y326 HydrophobicContact CG-CD1 3.61Å; Q257-Y326 HydrophobicContact CG-CD2 4.32Å; Q257-Y326 HydrophobicContact CG-CE1 3.51Å; Q257-Y326 HydrophobicContact CG-CE2 4.25Å; Q257-Y326 HydrophobicContact CG-CG 4.04Å; D324-Y326 PolarHBondContact O-N 2.95Å; D324-Y326 PolarHBondContact OD1-N 3.45Å; Y326-R330 WeakPolarHBondContact O-CD 3.44Å; Y326-R330 PolarHBondContact O-NE 3.05Å
327	R	98	Very high	97.7	Very high	118 Å²	118	48.8 Å²	48.8	45%	0.445	27%	0.265	S	S	.	.	H	α-helix	trans	-78.2	-44.9	173.3	-175	-176.3	68	82.9	-5.1	111.7	E320 D324	E320-R327 IonicContact OE2-NH2 3.02Å; E320-R327 PolarHBondContact OE2-NH2 3.48Å; D324-R327 HydrophobicContact CB-CB 3.94Å; D324-R327 PolarHBondContact O-N 2.82Å; D324-R327 WeakPolarHBondContact OD1-CB 3.47Å; D324-R327 PolarHBondContact OD1-N 2.86Å; D324-R327 WeakPolarHBondContact OD2-CB 3.42Å; D324-R327 IonicContact OD2-NE 3.55Å
328	L	98.2	Very high	98	Very high	35 Å²	35	45.3 Å²	45.3	18%	0.183	24%	0.241	C	C	.	.	H	α-helix	trans	-77.5	-25.4	-173.7	-67.7	170.2	0	0	0	113.2	F261 Y314 Y323 D324	F261-L328 HydrophobicContact CD2-CB 4.25Å; F261-L328 HydrophobicContact CE2-CB 3.72Å; F261-L328 HydrophobicContact CE2-CD1 4.03Å; F261-L328 HydrophobicContact CZ-CD1 4.43Å; Y314-L328 HydrophobicContact CD1-CB 4.09Å; Y314-L328 HydrophobicContact CE1-CB 4.34Å; Y323-L328 HydrophobicContact CD1-CD1 4.18Å; D324-L328 VanDerWaalsContact O-CB 3.27Å; D324-L328 WeakPolarHBondContact O-CB 3.31Å; D324-L328 VanDerWaalsContact O-CG 3.28Å; D324-L328 WeakPolarHBondContact O-CG 3.06Å; D324-L328 PolarHBondContact O-N 3.47Å
329	Y	98.6	Very high	98.1	Very high	8 Å²	8	45 Å²	45	3%	0.031	24%	0.237	C	C	.	.			trans	-134.5	124	173.7	-177.6	-94.3	0	0	0	110.3	Q257 M260 F261 N264 I325	Q257-Y329 PolarHBondContact NE2-O 3.02Å; M260-Y329 HydrophobicContact CB-CD1 4.1Å; M260-Y329 HydrophobicContact CB-CE1 3.48Å; M260-Y329 VanDerWaalsContact CB-CE1 3.48Å; M260-Y329 HydrophobicContact SD-CE1 4.44Å; F261-Y329 HydrophobicContact CB-CG 4.49Å; N264-Y329 HydrophobicContact CB-CD2 3.61Å; N264-Y329 HydrophobicContact CB-CE2 3.42Å; N264-Y329 VanDerWaalsContact CB-CE2 3.42Å; I325-Y329 PolarHBondContact O-N 3.36Å
330	R	98.1	Very high	98.2	Very high	154 Å²	154	46 Å²	46	58%	0.581	24%	0.241	S	C	*	.			trans	-105.3	107.9	175.1	-70.3	-74.1	-179.4	164.8	-3	108.3	Y326 C332 T340	Y326-R330 WeakPolarHBondContact O-CD 3.44Å; Y326-R330 PolarHBondContact O-NE 3.05Å; R330-C332 PolarHBondContact O-N 3.16Å; R330-T340 HydrophobicContact CG-CG2 4.44Å
331	S	98.3	Very high	98.3	Very high	55 Å²	55	44.9 Å²	44.9	39%	0.385	25%	0.245	S	C	.	.			trans	-60.5	130.6	169.8	-176.5	0	0	0	0	109.1	M260	M260-S331 PolarHBondContact SD-OG 3.25Å; M260-S331 VanDerWaalsContact SD-OG 3.36Å
332	C	98.8	Very high	98.4	Very high	9 Å²	9	39.6 Å²	39.6	6%	0.061	23%	0.226	C	C	.	.			trans	-147.7	-171.9	-170.5	68.1	0	0	0	0	110.3	R330 D334 C338 D348	R330-C332 PolarHBondContact O-N 3.16Å; C332-D334 PolarHBondContact O-N 3.24Å; C332-D334 PolarHBondContact SG-N 3.39Å; C332-D334 PolarHBondContact SG-O 2.95Å; C332-C338 HydrophobicContact CB-CB 3.97Å; C332-C338 WeakPolarHBondContact CB-SG 3.25Å; C332-C338 WeakPolarHBondContact SG-CB 3.19Å; C332-C338 PolarHBondContact SG-N 2.93Å; C332-C338 CovalentContact SG-SG 2.03Å; C332-C338 PolarHBondContact SG-SG 3.45Å; C332-D348 HydrophobicContact CB-CB 4.35Å; C332-D348 VanDerWaalsContact CB-OD1 3.32Å; C332-D348 WeakPolarHBondContact CB-OD1 3.36Å
333	A	98.8	Very high	98.4	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.222	C	C	.	.	S	Bend	trans	-72.4	-5.4	178.3	0	0	0	0	0	114.5	D348 A351 C352 F373 Y381	A333-D348 WeakPolarHBondContact CB-OD1 3.48Å; A333-D348 PolarHBondContact N-OD1 2.64Å; A333-A351 HydrophobicContact CB-CB 3.85Å; A333-C352 VanDerWaalsContact CB-SG 3.51Å; A333-F373 HydrophobicContact CB-CZ 4.46Å; A333-F373 WeakPolarHBondContact O-CE1 3.45Å; A333-F373 WeakPolarHBondContact O-CZ 3.43Å; A333-Y381 HydrophobicContact CB-CD1 3.98Å; A333-Y381 HydrophobicContact CB-CE1 3.89Å
334	D	98.9	Very high	98.4	Very high	5 Å²	5	39.5 Å²	39.5	3%	0.027	22%	0.224	C	C	.	.			trans	-104.4	111.7	167.4	-173.9	-16.4	0	0	0	110.4	C332 T336 G337 W347 A351 L357	C332-D334 PolarHBondContact O-N 3.24Å; C332-D334 PolarHBondContact SG-N 3.39Å; C332-D334 PolarHBondContact SG-O 2.95Å; D334-T336 PolarHBondContact O-N 3.49Å; D334-T336 WeakPolarHBondContact OD1-CA 3.47Å; D334-T336 VanDerWaalsContact OD1-CB 3.3Å; D334-T336 WeakPolarHBondContact OD1-CB 3.47Å; D334-T336 PolarHBondContact OD1-N 2.99Å; D334-T336 PolarHBondContact OD1-OG1 3.2Å; D334-T336 PolarHBondContact OD2-OG1 3.45Å; D334-G337 PolarHBondContact O-N 2.87Å; D334-W347 PolarHBondContact OD2-NE1 3.39Å; D334-A351 HydrophobicContact CB-CB 4.47Å; D334-L357 HydrophobicContact CB-CD1 3.87Å; D334-L357 VanDerWaalsContact OD2-CD1 3.27Å; D334-L357 WeakPolarHBondContact OD2-CD1 3.43Å
335	P	98.6	Very high	98.4	Very high	8 Å²	8	41.9 Å²	41.9	5%	0.052	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-14.4	-179.5	30.3	-36.1	0	0	0	113.2	F202 R263 G337 L357 F359 F373	F202-P335 HydrophobicContact CE2-CB 4.4Å; F202-P335 HydrophobicContact CZ-CB 4.5Å; R263-P335 PolarHBondContact NH2-O 3.12Å; P335-G337 VanDerWaalsContact C-N 3.32Å; P335-L357 WeakPolarHBondContact CD-O 3.26Å; P335-L357 WeakPolarHBondContact CG-O 3.45Å; P335-F359 HydrophobicContact CG-CB 3.88Å; P335-F359 HydrophobicContact CG-CD2 4.47Å; P335-F359 WeakPolarHBondContact CG-O 3.09Å; P335-F373 HydrophobicContact CB-CD1 4.27Å; P335-F373 HydrophobicContact CG-CD1 4.06Å
336	T	98.6	Very high	98.4	Very high	10 Å²	10	41.9 Å²	41.9	6%	0.061	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-14.9	173.4	77	0	0	0	0	111.9	F201 N264 D334 W420	F201-T336 HydrophobicContact CD1-CG2 3.8Å; F201-T336 HydrophobicContact CD2-CG2 4.48Å; F201-T336 HydrophobicContact CE1-CG2 3.43Å; F201-T336 VanDerWaalsContact CE1-CG2 3.43Å; F201-T336 HydrophobicContact CE2-CG2 4.19Å; F201-T336 HydrophobicContact CG-CG2 4.3Å; F201-T336 HydrophobicContact CZ-CG2 3.65Å; N264-T336 PolarHBondContact OD1-O 3.39Å; D334-T336 PolarHBondContact O-N 3.49Å; D334-T336 WeakPolarHBondContact OD1-CA 3.47Å; D334-T336 VanDerWaalsContact OD1-CB 3.3Å; D334-T336 WeakPolarHBondContact OD1-CB 3.47Å; D334-T336 PolarHBondContact OD1-N 2.99Å; D334-T336 PolarHBondContact OD1-OG1 3.2Å; D334-T336 PolarHBondContact OD2-OG1 3.45Å; T336-W420 HydrophobicContact CG2-CH2 3.8Å; T336-W420 HydrophobicContact CG2-CZ2 3.63Å
337	G	98.3	Very high	98.4	Very high	18 Å²	18	39.9 Å²	39.9	19%	0.186	22%	0.222	C	C	.	.			trans	104.9	130.2	173.2	0	0	0	0	0	113.6	D334 P335	D334-G337 PolarHBondContact O-N 2.87Å; P335-G337 VanDerWaalsContact C-N 3.32Å
338	C	98.4	Very high	98.5	Very high	18 Å²	18	34.7 Å²	34.7	12%	0.122	20%	0.202	C	C	.	.			trans	-84.2	-7.6	-178.6	-62.3	0	0	0	0	114.5	C332 A344	C332-C338 HydrophobicContact CB-CB 3.97Å; C332-C338 WeakPolarHBondContact CB-SG 3.25Å; C332-C338 WeakPolarHBondContact SG-CB 3.19Å; C332-C338 PolarHBondContact SG-N 2.93Å; C332-C338 CovalentContact SG-SG 2.03Å; C332-C338 PolarHBondContact SG-SG 3.45Å; C338-A344 HydrophobicContact CB-CB 4.15Å; C338-A344 VanDerWaalsContact O-CA 3.25Å; C338-A344 WeakPolarHBondContact O-CA 3.2Å; C338-A344 WeakPolarHBondContact O-CB 3.25Å
339	G	97.6	Very high	98.5	Very high	45 Å²	45	34 Å²	34	46%	0.464	20%	0.198	S	C	.	.			trans	76.3	-148.9	-166.8	0	0	0	0	0	112.7
340	T	97.4	Very high	98.5	Very high	90 Å²	90	33.6 Å²	33.6	55%	0.552	20%	0.196	S	C	*	.	S	Bend	trans	-136.7	165.9	179.9	67.8	0	0	0	0	111.9	R330	R330-T340 HydrophobicContact CG-CG2 4.44Å
341	G	98.2	Very high	98.6	Very high	35 Å²	35	26.3 Å²	26.3	36%	0.361	17%	0.169	S	C	.	.	H	α-helix	trans	87.9	-165.1	177.2	0	0	0	0	0	114.3	R345	G341-R345 PolarHBondContact O-NH1 2.99Å
342	P	98.5	Very high	98.6	Very high	63 Å²	63	23.7 Å²	23.7	41%	0.409	15%	0.15	S	C	.	.	H	α-helix	trans	-66.6	-42.1	-177.8	25.9	-32.5	0	0	0	113.3	T121 A344 R345 A346	T121-P342 HydrophobicContact CG2-CB 4.12Å; T121-P342 WeakPolarHBondContact CG2-O 3.48Å; P342-A344 VanDerWaalsContact C-N 3.31Å; P342-A344 PolarHBondContact O-N 3.05Å; P342-R345 WeakPolarHBondContact O-CB 3.09Å; P342-R345 PolarHBondContact O-N 3.36Å; P342-A346 PolarHBondContact O-N 3.23Å
343	D	98.7	Very high	98.6	Very high	38 Å²	38	24.1 Å²	24.1	20%	0.203	15%	0.153	C	C	.	.	H	α-helix	trans	-61.3	-41.9	-179.5	-64.6	-14.6	0	0	0	111	Y110 G111 R345 A346 W347	Y110-D343 WeakPolarHBondContact CA-OD1 3.47Å; Y110-D343 HydrophobicContact CD1-CB 3.73Å; Y110-D343 HydrophobicContact CE1-CB 4.17Å; Y110-D343 VanDerWaalsContact CE1-O 3.31Å; Y110-D343 WeakPolarHBondContact CE1-O 3.43Å; G111-D343 PolarHBondContact N-OD1 3.06Å; D343-R345 VanDerWaalsContact C-N 3.26Å; D343-R345 PolarHBondContact O-N 3.43Å; D343-A346 WeakPolarHBondContact O-CB 3.42Å; D343-A346 PolarHBondContact O-N 3.47Å; D343-A346 VanDerWaalsContact O-N 3.14Å; D343-W347 PolarHBondContact O-N 3.21Å
344	A	98.8	Very high	98.6	Very high	10 Å²	10	24.8 Å²	24.8	8%	0.083	16%	0.156	C	C	.	.	H	α-helix	trans	-58.1	-36.5	174.2	0	0	0	0	0	113.4	C338 P342 D348	C338-A344 HydrophobicContact CB-CB 4.15Å; C338-A344 VanDerWaalsContact O-CA 3.25Å; C338-A344 WeakPolarHBondContact O-CA 3.2Å; C338-A344 WeakPolarHBondContact O-CB 3.25Å; P342-A344 VanDerWaalsContact C-N 3.31Å; P342-A344 PolarHBondContact O-N 3.05Å; A344-D348 WeakPolarHBondContact O-CB 3.34Å; A344-D348 PolarHBondContact O-N 2.82Å
345	R	98.9	Very high	98.6	Very high	100 Å²	100	24.5 Å²	24.5	38%	0.377	15%	0.154	S	C	.	.	H	α-helix	trans	-73.6	-37.2	177.2	-72.1	-168.2	-57.4	-85.6	3.3	112.3	T121 G341 P342 D343 W347 Y349 W386	T121-R345 PolarHBondContact O-NE 2.91Å; T121-R345 PolarHBondContact OG1-NH2 2.9Å; G341-R345 PolarHBondContact O-NH1 2.99Å; P342-R345 WeakPolarHBondContact O-CB 3.09Å; P342-R345 PolarHBondContact O-N 3.36Å; D343-R345 VanDerWaalsContact C-N 3.26Å; D343-R345 PolarHBondContact O-N 3.43Å; R345-W347 VanDerWaalsContact C-N 3.35Å; R345-Y349 PolarHBondContact O-N 2.98Å; R345-W386 HydrophobicContact CB-CH2 3.96Å; R345-W386 HydrophobicContact CB-CZ2 4.06Å; R345-W386 VanDerWaalsContact O-CZ2 3.24Å; R345-W386 WeakPolarHBondContact O-CZ2 3.35Å
346	A	98.9	Very high	98.6	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-62.2	-45.7	173.1	0	0	0	0	0	110.5	Y110 T121 L129 P342 D343 Y349 Q350	Y110-A346 HydrophobicContact CD1-CB 4.16Å; Y110-A346 HydrophobicContact CE1-CB 3.6Å; Y110-A346 HydrophobicContact CE2-CB 4.06Å; T121-A346 HydrophobicContact CG2-CB 4.05Å; L129-A346 HydrophobicContact CD2-CB 3.72Å; L129-A346 WeakPolarHBondContact CD2-O 3.49Å; P342-A346 PolarHBondContact O-N 3.23Å; D343-A346 WeakPolarHBondContact O-CB 3.42Å; D343-A346 PolarHBondContact O-N 3.47Å; D343-A346 VanDerWaalsContact O-N 3.14Å; A346-Y349 WeakPolarHBondContact O-CB 3.45Å; A346-Y349 PolarHBondContact O-N 2.78Å; A346-Q350 PolarHBondContact O-N 3.46Å; A346-Q350 VanDerWaalsContact O-N 3.11Å
347	W	98.9	Very high	98.6	Very high	19 Å²	19	23.9 Å²	23.9	7%	0.072	15%	0.15	C	C	.	.	H	α-helix	trans	-63.1	-44.7	176.4	-177.5	-117.6	0	0	0	112.6	E78 Y110 Y163 D334 D343 R345 Y349 Q350 A351 I355 L357	E78-W347 HydrophobicContact CB-CB 4.29Å; E78-W347 HydrophobicContact CB-CD2 4.11Å; E78-W347 HydrophobicContact CB-CE3 3.72Å; E78-W347 HydrophobicContact CB-CG 4.38Å; E78-W347 HydrophobicContact CB-CZ3 4.39Å; E78-W347 HydrophobicContact CG-CD2 4.08Å; E78-W347 HydrophobicContact CG-CE3 4.04Å; E78-W347 HydrophobicContact CG-CG 4.37Å; Y110-W347 WeakPolarHBondContact OH-CA 3.46Å; Y110-W347 PolarHBondContact OH-N 2.94Å; Y163-W347 HydrophobicContact CD1-CE3 4.43Å; Y163-W347 HydrophobicContact CD1-CH2 4.5Å; Y163-W347 AromaticContact CD1-CZ3 3.71Å; Y163-W347 HydrophobicContact CD1-CZ3 3.71Å; Y163-W347 HydrophobicContact CD2-CZ3 4.41Å; Y163-W347 HydrophobicContact CE1-CZ3 4.22Å; Y163-W347 HydrophobicContact CG-CH2 4.22Å; Y163-W347 AromaticContact CG-CZ3 3.84Å; Y163-W347 HydrophobicContact CG-CZ3 3.84Å; D334-W347 PolarHBondContact OD2-NE1 3.39Å; D343-W347 PolarHBondContact O-N 3.21Å; R345-W347 VanDerWaalsContact C-N 3.35Å; W347-Y349 PolarHBondContact O-N 3.16Å; W347-Q350 HydrophobicContact CE3-CB 4.32Å; W347-Q350 PolarHBondContact O-N 2.91Å; W347-A351 PolarHBondContact O-N 2.99Å; W347-I355 HydrophobicContact CH2-CG1 4.4Å; W347-I355 HydrophobicContact CH2-CG2 3.99Å; W347-I355 HydrophobicContact CZ2-CG2 4.33Å; W347-I355 HydrophobicContact CZ3-CG1 4.39Å; W347-L357 HydrophobicContact CZ2-CD1 3.87Å
348	D	98.9	Very high	98.6	Very high	8 Å²	8	24.8 Å²	24.8	4%	0.043	15%	0.152	C	C	.	.	H	α-helix	trans	-57.6	-38.5	175.4	-175	46.3	0	0	0	112.1	C332 A333 A344 A351 C352 Y381 W386	C332-D348 HydrophobicContact CB-CB 4.35Å; C332-D348 VanDerWaalsContact CB-OD1 3.32Å; C332-D348 WeakPolarHBondContact CB-OD1 3.36Å; A333-D348 WeakPolarHBondContact CB-OD1 3.48Å; A333-D348 PolarHBondContact N-OD1 2.64Å; A344-D348 WeakPolarHBondContact O-CB 3.34Å; A344-D348 PolarHBondContact O-N 2.82Å; D348-A351 PolarHBondContact O-N 3.48Å; D348-C352 VanDerWaalsContact O-CB 3.28Å; D348-C352 WeakPolarHBondContact O-CB 3.25Å; D348-C352 PolarHBondContact O-N 3.06Å; D348-Y381 VanDerWaalsContact CG-OH 3.28Å; D348-Y381 VanDerWaalsContact OD1-CE1 3.28Å; D348-Y381 WeakPolarHBondContact OD1-CE1 3.36Å; D348-Y381 PolarHBondContact OD1-OH 3.12Å; D348-Y381 PolarHBondContact OD2-OH 2.72Å; D348-W386 PolarHBondContact OD2-NE1 3.33Å
349	Y	98.9	Very high	98.6	Very high	21 Å²	21	24.4 Å²	24.4	8%	0.082	15%	0.149	C	C	.	.	H	α-helix	trans	-62.9	-45.1	173.4	-178.3	-96.2	0	0	0	112.1	T126 L129 R345 A346 W347 C352 T353 W386 V388	T126-Y349 HydrophobicContact CG2-CD2 4.17Å; T126-Y349 HydrophobicContact CG2-CG 4.13Å; T126-Y349 WeakPolarHBondContact O-CE1 3.41Å; T126-Y349 PolarHBondContact O-OH 3.47Å; T126-Y349 WeakPolarHBondContact OG1-CD2 3.33Å; T126-Y349 WeakPolarHBondContact OG1-CE2 3.33Å; L129-Y349 HydrophobicContact CB-CD1 3.95Å; L129-Y349 HydrophobicContact CB-CE1 4.1Å; L129-Y349 HydrophobicContact CD2-CD1 3.97Å; L129-Y349 HydrophobicContact CG-CD1 4.06Å; L129-Y349 WeakPolarHBondContact O-CE1 3.41Å; R345-Y349 PolarHBondContact O-N 2.98Å; A346-Y349 WeakPolarHBondContact O-CB 3.45Å; A346-Y349 PolarHBondContact O-N 2.78Å; W347-Y349 PolarHBondContact O-N 3.16Å; Y349-C352 CarbonylContact O-C 3.6Å; Y349-C352 WeakPolarHBondContact O-CA 3.22Å; Y349-C352 WeakPolarHBondContact O-CB 3.33Å; Y349-C352 PolarHBondContact O-N 3.02Å; Y349-T353 HydrophobicContact CD1-CG2 4.36Å; Y349-T353 HydrophobicContact CE1-CG2 3.87Å; Y349-T353 HydrophobicContact CE2-CG2 4.05Å; Y349-T353 PolarHBondContact O-N 3.27Å; Y349-T353 VanDerWaalsContact O-N 3.14Å; Y349-T353 PolarHBondContact O-OG1 3.19Å; Y349-T353 VanDerWaalsContact O-OG1 3.08Å; Y349-W386 HydrophobicContact CD2-CB 4.1Å; Y349-W386 AromaticContact CD2-CD2 3.83Å; Y349-W386 HydrophobicContact CD2-CD2 3.83Å; Y349-W386 AromaticContact CD2-CE3 3.88Å; Y349-W386 HydrophobicContact CD2-CE3 3.88Å; Y349-W386 AromaticContact CD2-CG 3.92Å; Y349-W386 HydrophobicContact CD2-CG 3.92Å; Y349-W386 HydrophobicContact CE2-CB 4.43Å; Y349-V388 HydrophobicContact CE2-CG1 3.82Å; Y349-V388 HydrophobicContact CE2-CG2 4.37Å
350	Q	98.9	Very high	98.6	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-62.6	-42	176.5	-67.6	-165.4	-108.3	0	0	112.1	Y110 L129 Y163 A346 W347 C352 T353 E354 I355	Y110-Q350 PolarHBondContact OH-OE1 3.12Å; L129-Q350 HydrophobicContact CD1-CG 4.09Å; L129-Q350 HydrophobicContact CD2-CG 4.08Å; L129-Q350 HydrophobicContact CG-CG 3.78Å; Y163-Q350 PolarHBondContact OH-NE2 3.49Å; A346-Q350 PolarHBondContact O-N 3.46Å; A346-Q350 VanDerWaalsContact O-N 3.11Å; W347-Q350 HydrophobicContact CE3-CB 4.32Å; W347-Q350 PolarHBondContact O-N 2.91Å; Q350-C352 PolarHBondContact O-N 3.08Å; Q350-T353 PolarHBondContact O-N 2.95Å; Q350-T353 VanDerWaalsContact O-N 3.16Å; Q350-T353 PolarHBondContact O-OG1 2.77Å; Q350-E354 PolarHBondContact O-N 2.7Å; Q350-I355 HydrophobicContact CB-CG1 4.03Å; Q350-I355 PolarHBondContact O-N 2.76Å
351	A	98.9	Very high	98.7	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-65.4	-20.5	172.6	0	0	0	0	0	112.5	A333 D334 W347 D348 I355 R378	A333-A351 HydrophobicContact CB-CB 3.85Å; D334-A351 HydrophobicContact CB-CB 4.47Å; W347-A351 PolarHBondContact O-N 2.99Å; D348-A351 PolarHBondContact O-N 3.48Å; A351-I355 WeakPolarHBondContact CA-O 3.49Å; A351-R378 PolarHBondContact O-NE 3.3Å; A351-R378 PolarHBondContact O-NH2 3.43Å
352	C	98.9	Very high	98.7	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-5.1	173.7	-90.3	0	0	0	0	115.3	A333 D348 Y349 Q350 C382 V388 P390	A333-C352 VanDerWaalsContact CB-SG 3.51Å; D348-C352 VanDerWaalsContact O-CB 3.28Å; D348-C352 WeakPolarHBondContact O-CB 3.25Å; D348-C352 PolarHBondContact O-N 3.06Å; Y349-C352 CarbonylContact O-C 3.6Å; Y349-C352 WeakPolarHBondContact O-CA 3.22Å; Y349-C352 WeakPolarHBondContact O-CB 3.33Å; Y349-C352 PolarHBondContact O-N 3.02Å; Q350-C352 PolarHBondContact O-N 3.08Å; C352-C382 WeakPolarHBondContact CA-SG 3.38Å; C352-C382 HydrophobicContact CB-CB 3.61Å; C352-C382 WeakPolarHBondContact CB-SG 3.35Å; C352-C382 WeakPolarHBondContact SG-CA 3.48Å; C352-C382 WeakPolarHBondContact SG-CB 3.39Å; C352-C382 CovalentContact SG-SG 2.03Å; C352-C382 PolarHBondContact SG-SG 3Å; C352-V388 HydrophobicContact CB-CG2 4.15Å; C352-P390 VanDerWaalsContact O-CA 3.29Å; C352-P390 WeakPolarHBondContact O-CA 3.4Å; C352-P390 WeakPolarHBondContact O-CB 3.37Å; C352-P390 WeakPolarHBondContact O-CG 3.48Å
353	T	98.9	Very high	98.7	Very high	19 Å²	19	19.8 Å²	19.8	12%	0.117	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.7	-63.9	-177.3	52	0	0	0	0	112	Y349 Q350 V388 R391	Y349-T353 HydrophobicContact CD1-CG2 4.36Å; Y349-T353 HydrophobicContact CE1-CG2 3.87Å; Y349-T353 HydrophobicContact CE2-CG2 4.05Å; Y349-T353 PolarHBondContact O-N 3.27Å; Y349-T353 VanDerWaalsContact O-N 3.14Å; Y349-T353 PolarHBondContact O-OG1 3.19Å; Y349-T353 VanDerWaalsContact O-OG1 3.08Å; Q350-T353 PolarHBondContact O-N 2.95Å; Q350-T353 VanDerWaalsContact O-N 3.16Å; Q350-T353 PolarHBondContact O-OG1 2.77Å; T353-V388 HydrophobicContact CG2-CB 4.26Å; T353-V388 HydrophobicContact CG2-CG2 3.82Å; T353-R391 PolarHBondContact O-N 3.09Å
354	E	98.9	Very high	98.7	Very high	13 Å²	13	24.1 Å²	24.1	6%	0.061	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.5	-39	-167.5	-55.7	-172.1	135.4	0	0	113.1	T130 V131 E132 Q350 N356 W394 L395	T130-E354 WeakPolarHBondContact CA-OE2 3.01Å; T130-E354 WeakPolarHBondContact CB-OE2 3.29Å; V131-E354 WeakPolarHBondContact CG2-OE2 3.25Å; V131-E354 PolarHBondContact N-OE2 2.81Å; E132-E354 VanDerWaalsContact OE2-OE1 3.06Å; Q350-E354 PolarHBondContact O-N 2.7Å; E354-N356 PolarHBondContact O-N 2.95Å; E354-W394 PolarHBondContact OE1-NE1 3.16Å; E354-W394 VanDerWaalsContact OE1-NE1 3.11Å; E354-L395 HydrophobicContact CB-CD1 4.22Å; E354-L395 WeakPolarHBondContact O-CB 3.2Å
355	I	98.9	Very high	98.7	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.139	C	C	.	.			trans	-85.7	114.5	-172	-50.7	-59.5	0	0	0	109.5	V131 M166 V192 W347 Q350 A351 L357 R378 L395	V131-I355 HydrophobicContact CG2-CD1 3.91Å; M166-I355 HydrophobicContact CE-CD1 4.09Å; V192-I355 HydrophobicContact CB-CG2 4.07Å; V192-I355 HydrophobicContact CG1-CG2 3.81Å; W347-I355 HydrophobicContact CH2-CG1 4.4Å; W347-I355 HydrophobicContact CH2-CG2 3.99Å; W347-I355 HydrophobicContact CZ2-CG2 4.33Å; W347-I355 HydrophobicContact CZ3-CG1 4.39Å; Q350-I355 HydrophobicContact CB-CG1 4.03Å; Q350-I355 PolarHBondContact O-N 2.76Å; A351-I355 WeakPolarHBondContact CA-O 3.49Å; I355-L357 HydrophobicContact CG2-CD1 4.04Å; I355-L357 HydrophobicContact CG2-CD2 4.41Å; I355-L357 HydrophobicContact CG2-CG 3.99Å; I355-R378 PolarHBondContact O-NH2 3.04Å; I355-L395 HydrophobicContact CD1-CD1 4.21Å; I355-L395 HydrophobicContact CD1-CD2 4.07Å
356	N	98.8	Very high	98.7	Very high	4 Å²	4	21.4 Å²	21.4	2%	0.021	12%	0.121	C	C	.	.			trans	-91.1	109.2	-177	-55.2	-53.2	0	0	0	111.8	V192 E354 R378 P392	V192-N356 WeakPolarHBondContact CA-O 3.44Å; V192-N356 VanDerWaalsContact O-CB 3.27Å; V192-N356 WeakPolarHBondContact O-CB 3.46Å; V192-N356 PolarHBondContact O-N 3.41Å; V192-N356 PolarHBondContact O-ND2 2.95Å; V192-N356 VanDerWaalsContact O-ND2 3.09Å; E354-N356 PolarHBondContact O-N 2.95Å; N356-R378 PolarHBondContact OD1-NH1 3.48Å; N356-R378 PolarHBondContact OD1-NH2 3.07Å; N356-P392 PolarHBondContact ND2-O 2.92Å; N356-P392 VanDerWaalsContact OD1-CA 3.27Å; N356-P392 WeakPolarHBondContact OD1-CA 3.48Å
357	L	98.1	Very high	98.7	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.005	12%	0.121	C	C	.	.			trans	-124.2	55.3	179.6	-61.5	172	0	0	0	110.9	V192 D334 P335 W347 I355 F359 F373 W420	V192-L357 HydrophobicContact CG1-CD2 4Å; D334-L357 HydrophobicContact CB-CD1 3.87Å; D334-L357 VanDerWaalsContact OD2-CD1 3.27Å; D334-L357 WeakPolarHBondContact OD2-CD1 3.43Å; P335-L357 WeakPolarHBondContact CD-O 3.26Å; P335-L357 WeakPolarHBondContact CG-O 3.45Å; W347-L357 HydrophobicContact CZ2-CD1 3.87Å; I355-L357 HydrophobicContact CG2-CD1 4.04Å; I355-L357 HydrophobicContact CG2-CD2 4.41Å; I355-L357 HydrophobicContact CG2-CG 3.99Å; L357-F359 HydrophobicContact CD2-CD2 4.43Å; L357-F359 HydrophobicContact CD2-CE2 3.93Å; L357-F359 PolarHBondContact O-N 3.36Å; L357-F373 WeakPolarHBondContact O-CD1 3.37Å; L357-F373 WeakPolarHBondContact O-CE1 3.33Å; L357-W420 HydrophobicContact CD2-CH2 3.77Å; L357-W420 HydrophobicContact CD2-CZ3 3.78Å
358	T	98.1	Very high	98.7	Very high	36 Å²	36	20.5 Å²	20.5	22%	0.221	12%	0.118	C	C	.	.			trans	-84.4	48.7	-179	51.4	0	0	0	0	112.5	S198 D375	S198-T358 WeakPolarHBondContact CB-O 3.24Å; T358-D375 WeakPolarHBondContact CG2-OD1 3.3Å
359	F	98.3	Very high	98.7	Very high	11 Å²	11	20.8 Å²	20.8	5%	0.048	12%	0.12	C	C	.	.			trans	-81.9	146.1	175.8	-61.9	-64.2	0	0	0	112	A191 S198 F201 F202 P335 L357 W420	A191-F359 HydrophobicContact CB-CE1 4.31Å; A191-F359 HydrophobicContact CB-CE2 4.4Å; A191-F359 HydrophobicContact CB-CZ 3.56Å; S198-F359 WeakPolarHBondContact O-CA 3.47Å; F201-F359 HydrophobicContact CB-CB 4.36Å; F201-F359 HydrophobicContact CB-CD1 3.87Å; F201-F359 HydrophobicContact CB-CD2 4.1Å; F201-F359 HydrophobicContact CB-CE1 4.05Å; F201-F359 HydrophobicContact CB-CE2 4.26Å; F201-F359 HydrophobicContact CB-CG 3.88Å; F201-F359 HydrophobicContact CB-CZ 4.19Å; F201-F359 HydrophobicContact CG-CD2 4.46Å; F202-F359 HydrophobicContact CD2-CB 4.44Å; F202-F359 HydrophobicContact CE2-CB 4.11Å; P335-F359 HydrophobicContact CG-CB 3.88Å; P335-F359 HydrophobicContact CG-CD2 4.47Å; P335-F359 WeakPolarHBondContact CG-O 3.09Å; L357-F359 HydrophobicContact CD2-CD2 4.43Å; L357-F359 HydrophobicContact CD2-CE2 3.93Å; L357-F359 PolarHBondContact O-N 3.36Å; F359-W420 HydrophobicContact CE2-CH2 4.19Å; F359-W420 AromaticContact CE2-CZ3 3.71Å; F359-W420 HydrophobicContact CE2-CZ3 3.71Å; F359-W420 HydrophobicContact CZ-CZ3 4.38Å
360	A	98.3	Very high	98.7	Very high	14 Å²	14	25 Å²	25	12%	0.116	14%	0.144	C	C	.	.			trans	-132.4	150.3	177.4	0	0	0	0	0	111.1	S198 F202	S198-A360 PolarHBondContact O-N 2.99Å; F202-A360 WeakPolarHBondContact CD2-O 3.02Å
361	S	98.9	Very high	98.7	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.146	C	C	.	.	B	Isolated β-bridge	trans	-100.3	144.2	160.1	57	0	0	0	0	109.1	R263 D366 P369 D370 L371	R263-S361 PolarHBondContact NH1-OG 2.81Å; S361-D366 WeakPolarHBondContact CA-OD2 3.31Å; S361-D366 VanDerWaalsContact CB-OD1 3.32Å; S361-D366 WeakPolarHBondContact CB-OD1 3.47Å; S361-P369 PolarHBondContact OG-O 3.4Å; S361-D370 WeakPolarHBondContact O-CA 3.47Å; S361-L371 PolarHBondContact O-N 2.9Å
362	N	98.7	Very high	98.7	Very high	36 Å²	36	27.3 Å²	27.3	19%	0.193	16%	0.159	C	C	.	.			trans	-132.6	1.2	-169	66.4	32.9	0	0	0	114.4	N199 V364 T365 D366	N199-N362 PolarHBondContact OD1-ND2 3.37Å; N362-V364 PolarHBondContact O-N 3.02Å; N362-V364 VanDerWaalsContact O-N 3.1Å; N362-V364 WeakPolarHBondContact OD1-CA 3.45Å; N362-V364 WeakPolarHBondContact OD1-CB 3.42Å; N362-V364 PolarHBondContact OD1-N 2.79Å; N362-T365 PolarHBondContact ND2-OG1 3.42Å; N362-T365 PolarHBondContact OD1-N 3.5Å; N362-T365 PolarHBondContact OD1-OG1 3.3Å; N362-T365 VanDerWaalsContact OD1-OG1 3.11Å; N362-D366 PolarHBondContact N-OD1 3.26Å; N362-D366 PolarHBondContact N-OD2 2.7Å; N362-D366 PolarHBondContact OD1-OD2 3.2Å
363	N	98.6	Very high	98.6	Very high	86 Å²	86	28.7 Å²	28.7	46%	0.46	16%	0.164	S	C	.	.	S	Bend	trans	60.7	14.7	-179.8	-165.9	59.7	0	0	0	115	D366 F368	N363-D366 CarbonylContact C-O 3.47Å; N363-D366 PolarHBondContact N-OD1 2.87Å; N363-F368 WeakPolarHBondContact CA-O 3.41Å; N363-F368 WeakPolarHBondContact CB-O 3.33Å; N363-F368 PolarHBondContact N-O 3.4Å; N363-F368 PolarHBondContact OD1-O 3.45Å
364	V	98.6	Very high	98.6	Very high	128 Å²	128	30.5 Å²	30.5	78%	0.776	18%	0.175	S	C	*	.	S	Bend	trans	-120.1	-56.3	178.5	179.2	0	0	0	0	109.9	N362	N362-V364 PolarHBondContact O-N 3.02Å; N362-V364 VanDerWaalsContact O-N 3.1Å; N362-V364 WeakPolarHBondContact OD1-CA 3.45Å; N362-V364 WeakPolarHBondContact OD1-CB 3.42Å; N362-V364 PolarHBondContact OD1-N 2.79Å
365	T	98.7	Very high	98.6	Very high	54 Å²	54	33.4 Å²	33.4	33%	0.331	19%	0.192	S	C	.	.	S	Bend	trans	-87.4	-9.5	176.6	54.7	0	0	0	0	113	R203 N362	R203-T365 WeakPolarHBondContact CG-O 3.47Å; N362-T365 PolarHBondContact ND2-OG1 3.42Å; N362-T365 PolarHBondContact OD1-N 3.5Å; N362-T365 PolarHBondContact OD1-OG1 3.3Å; N362-T365 VanDerWaalsContact OD1-OG1 3.11Å
366	D	98.9	Very high	98.5	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.221	C	C	.	.	S	Bend	trans	-138.2	169.4	-177.5	60.6	79	0	0	0	110.8	F202 T206 S361 N362 N363 F368	F202-D366 HydrophobicContact CB-CB 4.21Å; F202-D366 WeakPolarHBondContact O-CB 3.46Å; T206-D366 VanDerWaalsContact OG1-CA 3.3Å; T206-D366 WeakPolarHBondContact OG1-CA 3.22Å; T206-D366 WeakPolarHBondContact OG1-CB 3.48Å; S361-D366 WeakPolarHBondContact CA-OD2 3.31Å; S361-D366 VanDerWaalsContact CB-OD1 3.32Å; S361-D366 WeakPolarHBondContact CB-OD1 3.47Å; N362-D366 PolarHBondContact N-OD1 3.26Å; N362-D366 PolarHBondContact N-OD2 2.7Å; N362-D366 PolarHBondContact OD1-OD2 3.2Å; N363-D366 CarbonylContact C-O 3.47Å; N363-D366 PolarHBondContact N-OD1 2.87Å; D366-F368 HydrophobicContact CB-CD2 4.18Å; D366-F368 PolarHBondContact OD1-N 3.17Å
367	M	98.9	Very high	98.5	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.245	C	C	.	.	S	Bend	trans	-89.6	5.5	-177.7	68.1	-177.7	174.6	0	0	114.6	T206 F209 T217 V220 R221 F266	T206-M367 HydrophobicContact CG2-CB 3.78Å; T206-M367 HydrophobicContact CG2-CG 3.89Å; T206-M367 HydrophobicContact CG2-SD 4.22Å; T206-M367 PolarHBondContact OG1-N 2.88Å; F209-M367 HydrophobicContact CB-CE 3.88Å; F209-M367 HydrophobicContact CB-SD 4.32Å; F209-M367 HydrophobicContact CD1-CE 4.39Å; F209-M367 HydrophobicContact CD2-CE 3.97Å; F209-M367 HydrophobicContact CG-CE 3.81Å; T217-M367 HydrophobicContact CG2-SD 3.86Å; V220-M367 HydrophobicContact CB-SD 3.94Å; V220-M367 HydrophobicContact CG1-CB 4.39Å; V220-M367 HydrophobicContact CG1-CE 4.35Å; V220-M367 HydrophobicContact CG1-CG 3.93Å; V220-M367 HydrophobicContact CG1-SD 3.76Å; V220-M367 HydrophobicContact CG2-SD 4.14Å; R221-M367 HydrophobicContact CG-CB 3.91Å; F266-M367 HydrophobicContact CB-CE 4.39Å; F266-M367 HydrophobicContact CD1-CE 3.32Å; F266-M367 HydrophobicContact CE1-CE 3.73Å; F266-M367 HydrophobicContact CG-CE 3.97Å
368	F	98.9	Very high	98.6	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.245	C	C	.	.	S	Bend	trans	-104.4	161.1	-172.4	-52.5	-69.2	0	0	0	111.7	F202 V205 F224 R263 F266 N363 D366	F202-F368 HydrophobicContact CB-CD2 4.01Å; F202-F368 HydrophobicContact CB-CE2 4.18Å; F202-F368 HydrophobicContact CD1-CD2 4.16Å; F202-F368 HydrophobicContact CD1-CE2 4.05Å; F202-F368 HydrophobicContact CG-CD2 4.39Å; V205-F368 HydrophobicContact CB-CE2 4.24Å; V205-F368 HydrophobicContact CB-CZ 4.44Å; V205-F368 HydrophobicContact CG1-CE2 3.98Å; V205-F368 HydrophobicContact CG1-CZ 3.69Å; F224-F368 AromaticContact CE2-CD1 3.75Å; F224-F368 HydrophobicContact CE2-CD1 3.75Å; F224-F368 HydrophobicContact CE2-CE1 4.39Å; F224-F368 HydrophobicContact CZ-CD1 4.14Å; R263-F368 HydrophobicContact CB-CD1 4.12Å; R263-F368 HydrophobicContact CB-CE1 4.48Å; R263-F368 HydrophobicContact CG-CB 4.34Å; R263-F368 HydrophobicContact CG-CD1 3.76Å; R263-F368 HydrophobicContact CG-CD2 4.09Å; R263-F368 HydrophobicContact CG-CE1 4.03Å; R263-F368 HydrophobicContact CG-CE2 4.32Å; R263-F368 HydrophobicContact CG-CG 3.79Å; R263-F368 HydrophobicContact CG-CZ 4.29Å; F266-F368 HydrophobicContact CB-CE1 3.81Å; F266-F368 HydrophobicContact CB-CZ 3.67Å; F266-F368 HydrophobicContact CD1-CE1 4.27Å; F266-F368 AromaticContact CD2-CE1 3.57Å; F266-F368 HydrophobicContact CD2-CE1 3.57Å; F266-F368 HydrophobicContact CD2-CZ 4.32Å; F266-F368 HydrophobicContact CE2-CE1 4.19Å; F266-F368 AromaticContact CG-CE1 3.62Å; F266-F368 HydrophobicContact CG-CE1 3.62Å; F266-F368 AromaticContact CG-CZ 3.94Å; F266-F368 HydrophobicContact CG-CZ 3.94Å; N363-F368 WeakPolarHBondContact CA-O 3.41Å; N363-F368 WeakPolarHBondContact CB-O 3.33Å; N363-F368 PolarHBondContact N-O 3.4Å; N363-F368 PolarHBondContact OD1-O 3.45Å; D366-F368 HydrophobicContact CB-CD2 4.18Å; D366-F368 PolarHBondContact OD1-N 3.17Å
369	P	98.9	Very high	98.6	Very high	13 Å²	13	47 Å²	47	8%	0.084	25%	0.246	C	C	.	.			trans	-57.4	157.5	173.3	-26.2	37.1	0	0	0	113.4	F224 F259 S361 L371	F224-P369 HydrophobicContact CB-CG 3.97Å; F224-P369 HydrophobicContact CD1-CG 3.48Å; F224-P369 VanDerWaalsContact CD1-CG 3.48Å; F224-P369 HydrophobicContact CD2-CG 4.48Å; F224-P369 HydrophobicContact CE1-CG 4.03Å; F224-P369 HydrophobicContact CG-CG 3.74Å; F259-P369 HydrophobicContact CB-CB 4.48Å; F259-P369 HydrophobicContact CB-CG 4.13Å; F259-P369 HydrophobicContact CD1-CG 3.86Å; F259-P369 HydrophobicContact CD2-CB 3.53Å; F259-P369 HydrophobicContact CD2-CG 3.55Å; F259-P369 HydrophobicContact CE1-CG 4.01Å; F259-P369 HydrophobicContact CE2-CB 3.73Å; F259-P369 HydrophobicContact CE2-CG 3.72Å; F259-P369 HydrophobicContact CG-CB 4.06Å; F259-P369 HydrophobicContact CG-CG 3.62Å; F259-P369 HydrophobicContact CZ-CB 4.4Å; F259-P369 HydrophobicContact CZ-CG 3.93Å; S361-P369 PolarHBondContact OG-O 3.4Å; P369-L371 HydrophobicContact CB-CG 4.43Å; P369-L371 PolarHBondContact O-N 3.14Å; P369-L371 VanDerWaalsContact O-N 3.1Å
370	D	98.8	Very high	98.6	Very high	109 Å²	109	51.5 Å²	51.5	58%	0.583	27%	0.267	S	S	*	.			trans	-64.8	107.1	171.8	-179.7	25.8	0	0	0	110.7	S361	S361-D370 WeakPolarHBondContact O-CA 3.47Å
371	L	98.6	Very high	98.6	Very high	9 Å²	9	53.8 Å²	53.8	5%	0.047	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-133.5	77.4	-176	-65.6	169.9	0	0	0	108.8	T256 F259 M260 S361 P369	T256-L371 HydrophobicContact CG2-CD2 4.05Å; F259-L371 HydrophobicContact CB-CD1 4.1Å; F259-L371 HydrophobicContact CB-CD2 4.31Å; M260-L371 HydrophobicContact CE-CD2 4.44Å; M260-L371 HydrophobicContact CG-CD1 4.01Å; M260-L371 HydrophobicContact CG-CD2 4.36Å; S361-L371 PolarHBondContact O-N 2.9Å; P369-L371 HydrophobicContact CB-CG 4.43Å; P369-L371 PolarHBondContact O-N 3.14Å; P369-L371 VanDerWaalsContact O-N 3.1Å
372	P	98.3	Very high	98.6	Very high	41 Å²	41	53.8 Å²	53.8	27%	0.266	27%	0.274	S	S	.	.			trans	-74.1	138.9	-175.4	26.1	-30.2	0	0	0	111.7	R377	P372-R377 WeakPolarHBondContact O-CD 3.46Å; P372-R377 PolarHBondContact O-NH1 2.84Å
373	F	98.4	Very high	98.6	Very high	28 Å²	28	54.7 Å²	54.7	12%	0.123	28%	0.278	C	S	.	.			trans	-135.2	92.7	176	-170.5	-116.4	0	0	0	109.2	A333 P335 L357 R377 R378	A333-F373 HydrophobicContact CB-CZ 4.46Å; A333-F373 WeakPolarHBondContact O-CE1 3.45Å; A333-F373 WeakPolarHBondContact O-CZ 3.43Å; P335-F373 HydrophobicContact CB-CD1 4.27Å; P335-F373 HydrophobicContact CG-CD1 4.06Å; L357-F373 WeakPolarHBondContact O-CD1 3.37Å; L357-F373 WeakPolarHBondContact O-CE1 3.33Å; F373-R377 HydrophobicContact CD2-CB 4.47Å; F373-R378 HydrophobicContact CE1-CB 4.22Å; F373-R378 HydrophobicContact CE1-CG 4.41Å; F373-R378 HydrophobicContact CE2-CB 4.19Å; F373-R378 HydrophobicContact CZ-CB 3.68Å; F373-R378 HydrophobicContact CZ-CG 3.95Å
374	T	98.3	Very high	98.7	Very high	57 Å²	57	55.3 Å²	55.3	35%	0.35	28%	0.282	S	S	.	.			trans	-98.7	168	-177.6	70.6	0	0	0	0	111.1	E376 R377 R378	T374-E376 VanDerWaalsContact C-N 3.26Å; T374-E376 VanDerWaalsContact CB-OE2 3.24Å; T374-E376 WeakPolarHBondContact CB-OE2 3.3Å; T374-E376 PolarHBondContact O-N 3.4Å; T374-E376 PolarHBondContact OG1-OE2 2.94Å; T374-R377 PolarHBondContact O-N 3.44Å; T374-R377 VanDerWaalsContact O-N 3.14Å; T374-R378 PolarHBondContact O-N 3.49Å
375	D	98.4	Very high	98.7	Very high	75 Å²	75	51.6 Å²	51.6	40%	0.401	26%	0.259	S	S	.	.	H	α-helix	trans	-56.1	-38.7	174.6	-73	-51.1	0	0	0	112.5	T358 R377 R378 Q379	T358-D375 WeakPolarHBondContact CG2-OD1 3.3Å; D375-R377 VanDerWaalsContact C-N 3.35Å; D375-R377 PolarHBondContact O-N 3.26Å; D375-R378 PolarHBondContact O-N 3.04Å; D375-Q379 WeakPolarHBondContact O-CB 3.49Å; D375-Q379 PolarHBondContact O-N 3.12Å
376	E	98.4	Very high	98.7	Very high	131 Å²	131	49.9 Å²	49.9	61%	0.612	25%	0.247	S	C	*	.	H	α-helix	trans	-64	-40.6	178	-59.6	78.6	-170.8	0	0	111.9	T374 Q380	T374-E376 VanDerWaalsContact C-N 3.26Å; T374-E376 VanDerWaalsContact CB-OE2 3.24Å; T374-E376 WeakPolarHBondContact CB-OE2 3.3Å; T374-E376 PolarHBondContact O-N 3.4Å; T374-E376 PolarHBondContact OG1-OE2 2.94Å; E376-Q380 PolarHBondContact O-N 3.48Å
377	R	98.2	Very high	98.6	Very high	140 Å²	140	51.9 Å²	51.9	53%	0.528	27%	0.267	S	S	.	.	H	α-helix	trans	-67.7	-44.6	177.5	-69.9	-177	173.5	-148.9	-4.8	111.1	P372 F373 T374 D375 Q380 Y381	P372-R377 WeakPolarHBondContact O-CD 3.46Å; P372-R377 PolarHBondContact O-NH1 2.84Å; F373-R377 HydrophobicContact CD2-CB 4.47Å; T374-R377 PolarHBondContact O-N 3.44Å; T374-R377 VanDerWaalsContact O-N 3.14Å; D375-R377 VanDerWaalsContact C-N 3.35Å; D375-R377 PolarHBondContact O-N 3.26Å; R377-Q380 PolarHBondContact O-N 3.38Å; R377-Y381 WeakPolarHBondContact O-CB 3.35Å; R377-Y381 PolarHBondContact O-N 3.09Å
378	R	98.8	Very high	98.6	Very high	1 Å²	1	53.3 Å²	53.3	0%	0.004	28%	0.276	C	S	.	.	H	α-helix	trans	-59.3	-49.6	175.6	-179.5	-178.5	172.5	-148	2.7	110.3	A351 I355 N356 F373 T374 D375 Q380 Y381 C382 P390	A351-R378 PolarHBondContact O-NE 3.3Å; A351-R378 PolarHBondContact O-NH2 3.43Å; I355-R378 PolarHBondContact O-NH2 3.04Å; N356-R378 PolarHBondContact OD1-NH1 3.48Å; N356-R378 PolarHBondContact OD1-NH2 3.07Å; F373-R378 HydrophobicContact CE1-CB 4.22Å; F373-R378 HydrophobicContact CE1-CG 4.41Å; F373-R378 HydrophobicContact CE2-CB 4.19Å; F373-R378 HydrophobicContact CZ-CB 3.68Å; F373-R378 HydrophobicContact CZ-CG 3.95Å; T374-R378 PolarHBondContact O-N 3.49Å; D375-R378 PolarHBondContact O-N 3.04Å; R378-Q380 PolarHBondContact O-N 2.85Å; R378-Y381 PolarHBondContact O-N 2.8Å; R378-C382 WeakPolarHBondContact O-CB 3.36Å; R378-C382 PolarHBondContact O-N 2.63Å; R378-C382 PolarHBondContact O-SG 3.24Å; R378-P390 HydrophobicContact CG-CG 4.18Å
379	Q	98.8	Very high	98.6	Very high	53 Å²	53	60.7 Å²	60.7	25%	0.248	30%	0.304	C	S	.	.	H	α-helix	trans	-57.6	-48.4	179.5	-174.4	-159.5	-38.9	0	0	111.8	D375 C382 L383 W389	D375-Q379 WeakPolarHBondContact O-CB 3.49Å; D375-Q379 PolarHBondContact O-N 3.12Å; Q379-C382 PolarHBondContact O-N 3Å; Q379-L383 HydrophobicContact CG-CD1 4.09Å; Q379-L383 WeakPolarHBondContact O-CB 3.4Å; Q379-L383 WeakPolarHBondContact O-CG 3.27Å; Q379-L383 PolarHBondContact O-N 3.22Å; Q379-W389 VanDerWaalsContact CD-CH2 3.41Å; Q379-W389 VanDerWaalsContact CD-CZ2 3.43Å; Q379-W389 HydrophobicContact CG-CD2 4.12Å; Q379-W389 HydrophobicContact CG-CE3 4.17Å; Q379-W389 HydrophobicContact CG-CH2 4.37Å; Q379-W389 HydrophobicContact CG-CZ2 4.23Å; Q379-W389 HydrophobicContact CG-CZ3 4.32Å
380	Q	98.8	Very high	98.6	Very high	106 Å²	106	60.4 Å²	60.4	50%	0.495	30%	0.302	S	S	.	.	H	α-helix	trans	-59.8	-49.2	177.6	-175.1	60.8	53.4	0	0	111.3	E376 R377 R378 C382 L383 D384	E376-Q380 PolarHBondContact O-N 3.48Å; R377-Q380 PolarHBondContact O-N 3.38Å; R378-Q380 PolarHBondContact O-N 2.85Å; Q380-C382 VanDerWaalsContact C-N 3.33Å; Q380-C382 PolarHBondContact O-N 3.08Å; Q380-L383 PolarHBondContact O-N 2.89Å; Q380-D384 VanDerWaalsContact NE2-CG 3.25Å; Q380-D384 PolarHBondContact NE2-OD1 3.15Å; Q380-D384 VanDerWaalsContact NE2-OD1 3.1Å; Q380-D384 PolarHBondContact NE2-OD2 2.53Å; Q380-D384 WeakPolarHBondContact O-CB 3.28Å; Q380-D384 VanDerWaalsContact O-CG 3.29Å; Q380-D384 PolarHBondContact O-N 3.41Å
381	Y	98.8	Very high	98.6	Very high	63 Å²	63	62.9 Å²	62.9	25%	0.247	30%	0.303	C	S	.	.	H	α-helix	trans	-57.3	-44.3	177.2	170.9	-91	0	0	0	112.4	A333 D348 R377 R378 D384 T385	A333-Y381 HydrophobicContact CB-CD1 3.98Å; A333-Y381 HydrophobicContact CB-CE1 3.89Å; D348-Y381 VanDerWaalsContact CG-OH 3.28Å; D348-Y381 VanDerWaalsContact OD1-CE1 3.28Å; D348-Y381 WeakPolarHBondContact OD1-CE1 3.36Å; D348-Y381 PolarHBondContact OD1-OH 3.12Å; D348-Y381 PolarHBondContact OD2-OH 2.72Å; R377-Y381 WeakPolarHBondContact O-CB 3.35Å; R377-Y381 PolarHBondContact O-N 3.09Å; R378-Y381 PolarHBondContact O-N 2.8Å; Y381-D384 PolarHBondContact O-N 3.02Å; Y381-T385 WeakPolarHBondContact CE2-OG1 3.3Å; Y381-T385 VanDerWaalsContact O-CB 3.22Å; Y381-T385 WeakPolarHBondContact O-CB 3.4Å; Y381-T385 PolarHBondContact O-N 3.23Å; Y381-T385 PolarHBondContact O-OG1 3.33Å
382	C	98.9	Very high	98.6	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-71.8	-35.3	-176.3	-64.8	0	0	0	0	113	C352 R378 Q379 Q380 W386 G387 V388 P390	C352-C382 WeakPolarHBondContact CA-SG 3.38Å; C352-C382 HydrophobicContact CB-CB 3.61Å; C352-C382 WeakPolarHBondContact CB-SG 3.35Å; C352-C382 WeakPolarHBondContact SG-CA 3.48Å; C352-C382 WeakPolarHBondContact SG-CB 3.39Å; C352-C382 CovalentContact SG-SG 2.03Å; C352-C382 PolarHBondContact SG-SG 3Å; R378-C382 WeakPolarHBondContact O-CB 3.36Å; R378-C382 PolarHBondContact O-N 2.63Å; R378-C382 PolarHBondContact O-SG 3.24Å; Q379-C382 PolarHBondContact O-N 3Å; Q380-C382 VanDerWaalsContact C-N 3.33Å; Q380-C382 PolarHBondContact O-N 3.08Å; C382-W386 CarbonylContact O-C 3.45Å; C382-W386 WeakPolarHBondContact O-CA 3.47Å; C382-W386 WeakPolarHBondContact O-CB 3.45Å; C382-W386 PolarHBondContact O-N 3.01Å; C382-G387 PolarHBondContact O-N 3.08Å; C382-V388 CarbonylContact C-O 3.46Å; C382-V388 HydrophobicContact CB-CG2 4.42Å; C382-V388 PolarHBondContact O-N 3.44Å; C382-P390 HydrophobicContact CB-CG 3.86Å
383	L	98.8	Very high	98.6	Very high	55 Å²	55	68.4 Å²	68.4	29%	0.288	33%	0.333	S	S	.	.	H	α-helix	trans	-64.9	-45.4	171.9	-73.6	170.2	0	0	0	111.1	R123 Q379 Q380 G387 V388 W389	R123-L383 PolarHBondContact NH2-O 3.43Å; Q379-L383 HydrophobicContact CG-CD1 4.09Å; Q379-L383 WeakPolarHBondContact O-CB 3.4Å; Q379-L383 WeakPolarHBondContact O-CG 3.27Å; Q379-L383 PolarHBondContact O-N 3.22Å; Q380-L383 PolarHBondContact O-N 2.89Å; L383-G387 WeakPolarHBondContact O-CA 3.36Å; L383-G387 PolarHBondContact O-N 3.42Å; L383-V388 WeakPolarHBondContact CD2-O 3.37Å; L383-V388 PolarHBondContact N-O 2.81Å; L383-W389 HydrophobicContact CD1-CE3 4.07Å; L383-W389 HydrophobicContact CD1-CZ3 4.29Å; L383-W389 HydrophobicContact CD2-CE3 4.31Å
384	D	98.8	Very high	98.7	Very high	99 Å²	99	71.5 Å²	71.5	53%	0.529	34%	0.344	S	S	.	.	H	α-helix	trans	-68.4	-43	-178.4	-69.2	-22.2	0	0	0	111.8	R123 Q380 Y381	R123-D384 PolarHBondContact NH1-O 2.83Å; Q380-D384 VanDerWaalsContact NE2-CG 3.25Å; Q380-D384 PolarHBondContact NE2-OD1 3.15Å; Q380-D384 VanDerWaalsContact NE2-OD1 3.1Å; Q380-D384 PolarHBondContact NE2-OD2 2.53Å; Q380-D384 WeakPolarHBondContact O-CB 3.28Å; Q380-D384 VanDerWaalsContact O-CG 3.29Å; Q380-D384 PolarHBondContact O-N 3.41Å; Y381-D384 PolarHBondContact O-N 3.02Å
385	T	98.6	Very high	98.7	Very high	50 Å²	50	68.8 Å²	68.8	31%	0.307	33%	0.327	S	S	.	.	H	α-helix	trans	-80.1	-50.1	-174.9	-54.4	0	0	0	0	111.9	R123 Y381	R123-T385 WeakPolarHBondContact CD-O 3.47Å; R123-T385 PolarHBondContact NH1-O 2.84Å; Y381-T385 WeakPolarHBondContact CE2-OG1 3.3Å; Y381-T385 VanDerWaalsContact O-CB 3.22Å; Y381-T385 WeakPolarHBondContact O-CB 3.4Å; Y381-T385 PolarHBondContact O-N 3.23Å; Y381-T385 PolarHBondContact O-OG1 3.33Å
386	W	98.8	Very high	98.7	Very high	18 Å²	18	68.5 Å²	68.5	7%	0.068	33%	0.325	C	S	.	.	H	α-helix	trans	-114.1	-16.8	-168.1	-65.8	110.3	0	0	0	113.7	R123 T126 R345 D348 Y349 C382 V388	R123-W386 HydrophobicContact CB-CE3 4.41Å; T126-W386 HydrophobicContact CG2-CE3 4.29Å; T126-W386 HydrophobicContact CG2-CH2 4.44Å; T126-W386 HydrophobicContact CG2-CZ3 3.77Å; R345-W386 HydrophobicContact CB-CH2 3.96Å; R345-W386 HydrophobicContact CB-CZ2 4.06Å; R345-W386 VanDerWaalsContact O-CZ2 3.24Å; R345-W386 WeakPolarHBondContact O-CZ2 3.35Å; D348-W386 PolarHBondContact OD2-NE1 3.33Å; Y349-W386 HydrophobicContact CD2-CB 4.1Å; Y349-W386 AromaticContact CD2-CD2 3.83Å; Y349-W386 HydrophobicContact CD2-CD2 3.83Å; Y349-W386 AromaticContact CD2-CE3 3.88Å; Y349-W386 HydrophobicContact CD2-CE3 3.88Å; Y349-W386 AromaticContact CD2-CG 3.92Å; Y349-W386 HydrophobicContact CD2-CG 3.92Å; Y349-W386 HydrophobicContact CE2-CB 4.43Å; C382-W386 CarbonylContact O-C 3.45Å; C382-W386 WeakPolarHBondContact O-CA 3.47Å; C382-W386 WeakPolarHBondContact O-CB 3.45Å; C382-W386 PolarHBondContact O-N 3.01Å; W386-V388 VanDerWaalsContact C-N 3.32Å; W386-V388 HydrophobicContact CB-CG1 4.48Å; W386-V388 HydrophobicContact CB-CG2 3.84Å
387	G	98.7	Very high	98.7	Very high	42 Å²	42	66.7 Å²	66.7	43%	0.433	32%	0.324	S	S	.	.	S	Bend	trans	71.3	29	-175	0	0	0	0	0	112.9	C382 L383	C382-G387 PolarHBondContact O-N 3.08Å; L383-G387 WeakPolarHBondContact O-CA 3.36Å; L383-G387 PolarHBondContact O-N 3.42Å
388	V	98.9	Very high	98.8	Very high	29 Å²	29	60.7 Å²	60.7	18%	0.176	30%	0.303	C	S	.	.			trans	-123	152.4	-179.4	-59.1	0	0	0	0	111	Y349 C352 T353 C382 L383 W386	Y349-V388 HydrophobicContact CE2-CG1 3.82Å; Y349-V388 HydrophobicContact CE2-CG2 4.37Å; C352-V388 HydrophobicContact CB-CG2 4.15Å; T353-V388 HydrophobicContact CG2-CB 4.26Å; T353-V388 HydrophobicContact CG2-CG2 3.82Å; C382-V388 CarbonylContact C-O 3.46Å; C382-V388 HydrophobicContact CB-CG2 4.42Å; C382-V388 PolarHBondContact O-N 3.44Å; L383-V388 WeakPolarHBondContact CD2-O 3.37Å; L383-V388 PolarHBondContact N-O 2.81Å; W386-V388 VanDerWaalsContact C-N 3.32Å; W386-V388 HydrophobicContact CB-CG1 4.48Å; W386-V388 HydrophobicContact CB-CG2 3.84Å
389	W	98.8	Very high	98.8	Very high	156 Å²	156	60.8 Å²	60.8	59%	0.591	30%	0.303	S	S	*	.			trans	-100.5	118	173.6	-170.6	-76.4	0	0	0	109	Q379 L383	Q379-W389 VanDerWaalsContact CD-CH2 3.41Å; Q379-W389 VanDerWaalsContact CD-CZ2 3.43Å; Q379-W389 HydrophobicContact CG-CD2 4.12Å; Q379-W389 HydrophobicContact CG-CE3 4.17Å; Q379-W389 HydrophobicContact CG-CH2 4.37Å; Q379-W389 HydrophobicContact CG-CZ2 4.23Å; Q379-W389 HydrophobicContact CG-CZ3 4.32Å; L383-W389 HydrophobicContact CD1-CE3 4.07Å; L383-W389 HydrophobicContact CD1-CZ3 4.29Å; L383-W389 HydrophobicContact CD2-CE3 4.31Å
390	P	98.9	Very high	98.7	Very high	6 Å²	6	62.3 Å²	62.3	4%	0.039	31%	0.307	C	S	.	.			trans	-57.5	138.7	175.8	-21	29.8	0	0	0	111.8	C352 R378 C382 P392	C352-P390 VanDerWaalsContact O-CA 3.29Å; C352-P390 WeakPolarHBondContact O-CA 3.4Å; C352-P390 WeakPolarHBondContact O-CB 3.37Å; C352-P390 WeakPolarHBondContact O-CG 3.48Å; R378-P390 HydrophobicContact CG-CG 4.18Å; C382-P390 HydrophobicContact CB-CG 3.86Å; P390-P392 WeakPolarHBondContact O-CD 3.34Å
391	R	98.8	Very high	98.7	Very high	162 Å²	162	57.4 Å²	57.4	61%	0.611	29%	0.285	S	S	*	.			trans	-110.1	80.3	179.2	-63.4	-179.6	-178.3	169.8	0.2	110	T353 D393 W394	T353-R391 PolarHBondContact O-N 3.09Å; R391-D393 PolarHBondContact O-N 2.96Å; R391-D393 VanDerWaalsContact O-N 3.17Å; R391-W394 HydrophobicContact CB-CB 3.78Å; R391-W394 VanDerWaalsContact O-CB 3.29Å; R391-W394 WeakPolarHBondContact O-CB 3.38Å; R391-W394 PolarHBondContact O-N 2.04Å
392	P	98.4	Very high	98.6	Very high	55 Å²	55	56 Å²	56	36%	0.357	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-25	-167.3	25	-34.8	0	0	0	114.6	N356 P390	N356-P392 PolarHBondContact ND2-O 2.92Å; N356-P392 VanDerWaalsContact OD1-CA 3.27Å; N356-P392 WeakPolarHBondContact OD1-CA 3.48Å; P390-P392 WeakPolarHBondContact O-CD 3.34Å
393	D	98.6	Very high	98.5	Very high	110 Å²	110	60.8 Å²	60.8	59%	0.588	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-13.8	177.1	60.9	-38.9	0	0	0	114	R391 T397	R391-D393 PolarHBondContact O-N 2.96Å; R391-D393 VanDerWaalsContact O-N 3.17Å; D393-T397 WeakPolarHBondContact O-CB 3.32Å; D393-T397 PolarHBondContact O-N 3.39Å; D393-T397 VanDerWaalsContact O-N 3.14Å; D393-T397 PolarHBondContact O-OG1 3.31Å
394	W	98.9	Very high	98.5	Very high	93 Å²	93	58.3 Å²	58.3	35%	0.352	30%	0.302	S	S	.	.	H	α-helix	trans	-68	-48.3	-171.4	178.6	-115.4	0	0	0	113	E132 E354 R391 L396 T397 S398	E132-W394 PolarHBondContact OE1-NE1 2.91Å; E132-W394 VanDerWaalsContact OE1-NE1 3.16Å; E354-W394 PolarHBondContact OE1-NE1 3.16Å; E354-W394 VanDerWaalsContact OE1-NE1 3.11Å; R391-W394 HydrophobicContact CB-CB 3.78Å; R391-W394 VanDerWaalsContact O-CB 3.29Å; R391-W394 WeakPolarHBondContact O-CB 3.38Å; R391-W394 PolarHBondContact O-N 2.04Å; W394-L396 VanDerWaalsContact C-N 3.3Å; W394-L396 PolarHBondContact O-N 3.06Å; W394-T397 CarbonylContact O-C 3.38Å; W394-T397 WeakPolarHBondContact O-CA 3.43Å; W394-T397 WeakPolarHBondContact O-CB 3.48Å; W394-T397 PolarHBondContact O-N 3.29Å; W394-T397 VanDerWaalsContact O-N 3.09Å; W394-S398 WeakPolarHBondContact O-CB 3.33Å; W394-S398 PolarHBondContact O-N 3.28Å
395	L	98.8	Very high	98.3	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-65.6	-36	-175.2	-157.5	77.2	0	0	0	112	V131 M166 V192 E354 I355 S398 F399	V131-L395 HydrophobicContact CG2-CD1 4.27Å; M166-L395 HydrophobicContact CE-CD2 4.46Å; V192-L395 HydrophobicContact CB-CD2 3.86Å; V192-L395 HydrophobicContact CG2-CD2 3.71Å; V192-L395 VanDerWaalsContact O-CD2 3.24Å; V192-L395 WeakPolarHBondContact O-CD2 3.46Å; E354-L395 HydrophobicContact CB-CD1 4.22Å; E354-L395 WeakPolarHBondContact O-CB 3.2Å; I355-L395 HydrophobicContact CD1-CD1 4.21Å; I355-L395 HydrophobicContact CD1-CD2 4.07Å; L395-S398 PolarHBondContact O-N 3.25Å; L395-F399 HydrophobicContact CD1-CD2 3.51Å; L395-F399 HydrophobicContact CD1-CE2 3.74Å; L395-F399 HydrophobicContact CG-CD2 3.96Å; L395-F399 WeakPolarHBondContact O-CB 3.14Å; L395-F399 PolarHBondContact O-N 2.99Å
396	L	98.8	Very high	98.3	Very high	69 Å²	69	63.3 Å²	63.3	36%	0.361	33%	0.331	S	S	.	.	H	α-helix	trans	-63.2	-44.4	172.2	178.7	59.4	0	0	0	111.4	A193 L195 W394 W400	A193-L396 HydrophobicContact CB-CB 4.31Å; A193-L396 HydrophobicContact CB-CD1 4.49Å; L195-L396 HydrophobicContact CD1-CD1 4.17Å; L195-L396 HydrophobicContact CD2-CD2 4.38Å; W394-L396 VanDerWaalsContact C-N 3.3Å; W394-L396 PolarHBondContact O-N 3.06Å; L396-W400 WeakPolarHBondContact O-CA 3.38Å; L396-W400 PolarHBondContact O-N 2.77Å
397	T	98.8	Very high	98.3	Very high	93 Å²	93	62.8 Å²	62.8	57%	0.571	33%	0.331	S	S	*	.	H	α-helix	trans	-62.8	-45.1	176.8	-59.4	0	0	0	0	111.6	D393 W394	D393-T397 WeakPolarHBondContact O-CB 3.32Å; D393-T397 PolarHBondContact O-N 3.39Å; D393-T397 VanDerWaalsContact O-N 3.14Å; D393-T397 PolarHBondContact O-OG1 3.31Å; W394-T397 CarbonylContact O-C 3.38Å; W394-T397 WeakPolarHBondContact O-CA 3.43Å; W394-T397 WeakPolarHBondContact O-CB 3.48Å; W394-T397 PolarHBondContact O-N 3.29Å; W394-T397 VanDerWaalsContact O-N 3.09Å
398	S	98.8	Very high	98.3	Very high	14 Å²	14	62.8 Å²	62.8	10%	0.098	32%	0.324	C	S	.	.	H	α-helix	trans	-74.9	-39.6	-175.3	-166.9	0	0	0	0	111.7	E132 K174 W394 L395	E132-S398 WeakPolarHBondContact OE1-CB 3.4Å; E132-S398 PolarHBondContact OE1-OG 2.74Å; K174-S398 WeakPolarHBondContact CE-O 3.49Å; K174-S398 PolarHBondContact NZ-O 3.43Å; W394-S398 WeakPolarHBondContact O-CB 3.33Å; W394-S398 PolarHBondContact O-N 3.28Å; L395-S398 PolarHBondContact O-N 3.25Å
399	F	98.8	Very high	98.3	Very high	3 Å²	3	63.1 Å²	63.1	1%	0.013	33%	0.325	C	S	.	.	H	α-helix	trans	-124.4	20.5	-167.8	-58.6	-74	0	0	0	115.7	V131 E132 L135 Y170 M173 K174 L395 G401	V131-F399 HydrophobicContact CB-CE2 4.03Å; V131-F399 HydrophobicContact CB-CZ 4.06Å; V131-F399 HydrophobicContact CG1-CE1 4.28Å; V131-F399 HydrophobicContact CG1-CE2 3.76Å; V131-F399 HydrophobicContact CG1-CZ 3.51Å; E132-F399 HydrophobicContact CG-CZ 4.08Å; E132-F399 WeakPolarHBondContact OE1-CE2 3.4Å; L135-F399 HydrophobicContact CD1-CE1 3.51Å; L135-F399 HydrophobicContact CD1-CZ 3.88Å; Y170-F399 HydrophobicContact CD1-CB 3.89Å; Y170-F399 AromaticContact CD1-CD1 3.75Å; Y170-F399 HydrophobicContact CD1-CD1 3.75Å; Y170-F399 HydrophobicContact CD1-CG 4.02Å; Y170-F399 HydrophobicContact CD2-CB 4.43Å; Y170-F399 AromaticContact CD2-CD1 3.64Å; Y170-F399 HydrophobicContact CD2-CD1 3.64Å; Y170-F399 HydrophobicContact CD2-CD2 4.26Å; Y170-F399 AromaticContact CD2-CE1 3.89Å; Y170-F399 HydrophobicContact CD2-CE1 3.89Å; Y170-F399 HydrophobicContact CD2-CE2 4.46Å; Y170-F399 AromaticContact CD2-CG 3.85Å; Y170-F399 HydrophobicContact CD2-CG 3.85Å; Y170-F399 HydrophobicContact CD2-CZ 4.29Å; Y170-F399 HydrophobicContact CE1-CB 3.59Å; Y170-F399 HydrophobicContact CE1-CD1 4.27Å; Y170-F399 HydrophobicContact CE1-CG 4.06Å; Y170-F399 HydrophobicContact CE2-CB 4.16Å; Y170-F399 HydrophobicContact CE2-CD1 4.17Å; Y170-F399 HydrophobicContact CE2-CD2 4.11Å; Y170-F399 AromaticContact CE2-CG 3.87Å; Y170-F399 HydrophobicContact CE2-CG 3.87Å; Y170-F399 HydrophobicContact CG-CB 4.31Å; Y170-F399 AromaticContact CG-CD1 3.41Å; Y170-F399 HydrophobicContact CG-CD1 3.41Å; Y170-F399 VanDerWaalsContact CG-CD1 3.41Å; Y170-F399 AromaticContact CG-CE1 3.87Å; Y170-F399 HydrophobicContact CG-CE1 3.87Å; Y170-F399 AromaticContact CG-CG 3.92Å; Y170-F399 HydrophobicContact CG-CG 3.92Å; Y170-F399 AromaticContact CZ-CG 3.98Å; M173-F399 VanDerWaalsContact CE-O 3.26Å; M173-F399 WeakPolarHBondContact CE-O 3.24Å; K174-F399 HydrophobicContact CG-CE1 4.29Å; L395-F399 HydrophobicContact CD1-CD2 3.51Å; L395-F399 HydrophobicContact CD1-CE2 3.74Å; L395-F399 HydrophobicContact CG-CD2 3.96Å; L395-F399 WeakPolarHBondContact O-CB 3.14Å; L395-F399 PolarHBondContact O-N 2.99Å; F399-G401 PolarHBondContact O-N 2.88Å
400	W	98.5	Very high	98.3	Very high	86 Å²	86	55.7 Å²	55.7	33%	0.326	30%	0.297	S	S	.	.			trans	69.2	-9.8	164.7	-44.9	-19.6	0	0	0	116.4	M173 L396 G402 D403 L404 A407	M173-W400 HydrophobicContact CB-CH2 4.08Å; M173-W400 HydrophobicContact CB-CZ3 4.02Å; M173-W400 HydrophobicContact CE-CB 4.32Å; M173-W400 HydrophobicContact CE-CD2 3.69Å; M173-W400 HydrophobicContact CE-CE3 3.47Å; M173-W400 VanDerWaalsContact CE-CE3 3.47Å; M173-W400 HydrophobicContact CE-CG 4.09Å; M173-W400 HydrophobicContact CE-CZ3 4.01Å; M173-W400 HydrophobicContact CG-CE3 4.36Å; M173-W400 HydrophobicContact CG-CZ3 3.97Å; L396-W400 WeakPolarHBondContact O-CA 3.38Å; L396-W400 PolarHBondContact O-N 2.77Å; W400-G402 PolarHBondContact O-N 3.26Å; W400-G402 VanDerWaalsContact O-N 3.15Å; W400-D403 PolarHBondContact O-N 3.25Å; W400-D403 VanDerWaalsContact O-N 3.08Å; W400-L404 HydrophobicContact CB-CD2 4.11Å; W400-L404 HydrophobicContact CE3-CD2 4.13Å; W400-A407 HydrophobicContact CZ3-CB 4.18Å
401	G	97.8	Very high	98.3	Very high	3 Å²	3	55.4 Å²	55.4	3%	0.031	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.8	-117.5	-179.7	0	0	0	0	0	111.7	F399	F399-G401 PolarHBondContact O-N 2.88Å
402	G	96.5	Very high	98.3	Very high	34 Å²	34	47.7 Å²	47.7	35%	0.351	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-10.3	-179.9	0	0	0	0	0	116.1	L190 W400 L404	L190-G402 VanDerWaalsContact CD2-CA 3.44Å; W400-G402 PolarHBondContact O-N 3.26Å; W400-G402 VanDerWaalsContact O-N 3.15Å; G402-L404 PolarHBondContact O-N 3.08Å; G402-L404 VanDerWaalsContact O-N 3.12Å
403	D	97.8	Very high	98.3	Very high	99 Å²	99	45 Å²	45	53%	0.529	25%	0.249	S	C	.	.			trans	-89.7	71.5	-177.2	-165.6	14.5	0	0	0	112	W400 K405	W400-D403 PolarHBondContact O-N 3.25Å; W400-D403 VanDerWaalsContact O-N 3.08Å; D403-K405 VanDerWaalsContact C-N 3.33Å; D403-K405 PolarHBondContact O-N 3.05Å; D403-K405 WeakPolarHBondContact OD1-CD 3.12Å; D403-K405 WeakPolarHBondContact OD1-CG 3.32Å; D403-K405 IonicContact OD1-NZ 3.76Å
404	L	98.1	Very high	98.3	Very high	4 Å²	4	39.8 Å²	39.8	2%	0.021	22%	0.221	C	C	.	.			trans	-94.9	23	-177.1	-53.8	-178.4	0	0	0	113.2	M173 W400 G402 A406 A407 F412 I425 L429	M173-L404 HydrophobicContact CE-CD2 3.78Å; M173-L404 HydrophobicContact SD-CD2 3.99Å; W400-L404 HydrophobicContact CB-CD2 4.11Å; W400-L404 HydrophobicContact CE3-CD2 4.13Å; G402-L404 PolarHBondContact O-N 3.08Å; G402-L404 VanDerWaalsContact O-N 3.12Å; L404-A406 PolarHBondContact O-N 3.26Å; L404-A407 HydrophobicContact CB-CB 4.1Å; L404-A407 WeakPolarHBondContact O-CB 3.48Å; L404-A407 PolarHBondContact O-N 2.98Å; L404-F412 HydrophobicContact CD1-CE2 3.72Å; L404-F412 HydrophobicContact CD1-CZ 3.66Å; L404-I425 HydrophobicContact CD1-CD1 4.29Å; L404-I425 HydrophobicContact CD1-CG1 4.23Å; L404-L429 HydrophobicContact CB-CD1 3.85Å; L404-L429 HydrophobicContact CD1-CD1 4.07Å; L404-L429 HydrophobicContact CG-CD1 4.23Å
405	K	94.4	Very high	98.3	Very high	165 Å²	165	35.4 Å²	35.4	72%	0.717	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-30.8	-178.5	-67.6	173.6	-168.9	162.7	0	113.2	D403	D403-K405 VanDerWaalsContact C-N 3.33Å; D403-K405 PolarHBondContact O-N 3.05Å; D403-K405 WeakPolarHBondContact OD1-CD 3.12Å; D403-K405 WeakPolarHBondContact OD1-CG 3.32Å; D403-K405 IonicContact OD1-NZ 3.76Å
406	A	97.9	Very high	98.3	Very high	88 Å²	88	38.3 Å²	38.3	73%	0.727	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86	-10.1	177.2	0	0	0	0	0	113.2	L404	L404-A406 PolarHBondContact O-N 3.26Å
407	A	98.6	Very high	98.3	Very high	8 Å²	8	37 Å²	37	7%	0.066	21%	0.213	C	C	.	.			trans	-76.3	161.1	174.5	0	0	0	0	0	110.9	M173 W400 L404 I410 V433	M173-A407 HydrophobicContact CG-CB 4.08Å; W400-A407 HydrophobicContact CZ3-CB 4.18Å; L404-A407 HydrophobicContact CB-CB 4.1Å; L404-A407 WeakPolarHBondContact O-CB 3.48Å; L404-A407 PolarHBondContact O-N 2.98Å; A407-I410 HydrophobicContact CB-CD1 4.05Å; A407-V433 HydrophobicContact CB-CG2 4.05Å; A407-V433 WeakPolarHBondContact O-CG2 3.49Å
408	S	98.8	Very high	98.3	Very high	41 Å²	41	32.7 Å²	32.7	29%	0.287	19%	0.187	S	C	.	.			trans	-150.9	151.2	177.9	55.3	0	0	0	0	111.2	R172 S432	R172-S408 WeakPolarHBondContact CG-O 3.41Å; R172-S408 PolarHBondContact NE-O 3.23Å; R172-S408 PolarHBondContact NH2-OG 2.94Å; S408-S432 WeakPolarHBondContact CA-OG 3.49Å
409	N	98.8	Very high	98.3	Very high	36 Å²	36	32 Å²	32	19%	0.193	18%	0.182	C	C	.	.	S	Bend	trans	59	55.1	174.7	-56.8	-3	0	0	0	112.4	A180 G181 A182 S432 W472	A180-N409 WeakPolarHBondContact O-CB 3.32Å; A180-N409 PolarHBondContact O-ND2 3.07Å; G181-N409 CarbonylContact C-O 3.58Å; G181-N409 WeakPolarHBondContact CA-O 3.35Å; A182-N409 PolarHBondContact N-O 3.45Å; N409-S432 CarbonylContact C-O 3.6Å; N409-S432 WeakPolarHBondContact CA-O 3.38Å; N409-S432 PolarHBondContact N-O 2.98Å; N409-S432 PolarHBondContact N-OG 3.4Å; N409-S432 WeakPolarHBondContact OD1-CB 3.39Å; N409-W472 HydrophobicContact CB-CD2 3.83Å; N409-W472 HydrophobicContact CB-CE3 4.44Å; N409-W472 HydrophobicContact CB-CG 4.12Å; N409-W472 HydrophobicContact CB-CH2 4.44Å; N409-W472 HydrophobicContact CB-CZ2 3.86Å; N409-W472 WeakPolarHBondContact O-CH2 3.43Å
410	I	98.9	Very high	98.3	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	126.9	175.9	-51.7	176.3	0	0	0	108.7	A169 R172 M173 A182 A184 A407 F412 S432 V433 I434	A169-I410 HydrophobicContact CB-CD1 4.37Å; A169-I410 HydrophobicContact CB-CG2 4.15Å; R172-I410 HydrophobicContact CB-CD1 4.36Å; R172-I410 HydrophobicContact CB-CG1 4.27Å; R172-I410 HydrophobicContact CG-CD1 4.14Å; R172-I410 HydrophobicContact CG-CG1 3.79Å; M173-I410 HydrophobicContact CG-CD1 3.86Å; M173-I410 HydrophobicContact SD-CD1 4.32Å; A182-I410 HydrophobicContact CB-CG1 4.48Å; A182-I410 HydrophobicContact CB-CG2 4.39Å; A182-I410 WeakPolarHBondContact O-CA 3.43Å; A184-I410 HydrophobicContact CB-CG2 4.23Å; A407-I410 HydrophobicContact CB-CD1 4.05Å; I410-F412 HydrophobicContact CB-CE2 4.08Å; I410-F412 HydrophobicContact CG2-CD2 3.89Å; I410-F412 HydrophobicContact CG2-CE1 4.22Å; I410-F412 HydrophobicContact CG2-CE2 3.47Å; I410-F412 VanDerWaalsContact CG2-CE2 3.47Å; I410-F412 HydrophobicContact CG2-CG 4.43Å; I410-F412 HydrophobicContact CG2-CZ 3.66Å; I410-S432 PolarHBondContact N-O 3.28Å; I410-V433 WeakPolarHBondContact O-CA 3.38Å; I410-I434 PolarHBondContact O-N 3.4Å
411	I	98.9	Very high	98.3	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	126.9	166.3	-68.3	149.5	0	0	0	107.5	A182 L183 A184 I434 I436 E465 V468 I469 W472	A182-I411 PolarHBondContact O-N 3.36Å; L183-I411 HydrophobicContact CD1-CB 3.73Å; L183-I411 HydrophobicContact CD1-CD1 4.48Å; L183-I411 HydrophobicContact CD1-CG2 3.45Å; L183-I411 VanDerWaalsContact CD1-CG2 3.45Å; A184-I411 PolarHBondContact N-O 3.11Å; I411-I434 CarbonylContact C-O 3.19Å; I411-I434 WeakPolarHBondContact CA-O 3.35Å; I411-I434 HydrophobicContact CB-CG1 4.29Å; I411-I434 HydrophobicContact CG1-CD1 3.69Å; I411-I434 HydrophobicContact CG1-CG1 3.59Å; I411-I436 HydrophobicContact CG2-CD1 3.6Å; I411-I436 HydrophobicContact CG2-CG1 4.03Å; I411-E465 HydrophobicContact CD1-CB 4.44Å; I411-E465 HydrophobicContact CD1-CG 4.3Å; I411-E465 HydrophobicContact CG2-CG 4.27Å; I411-V468 HydrophobicContact CD1-CB 4.09Å; I411-V468 HydrophobicContact CD1-CG1 3.87Å; I411-V468 HydrophobicContact CG1-CG1 4.29Å; I411-I469 HydrophobicContact CD1-CG1 4.32Å; I411-W472 HydrophobicContact CB-CH2 4.4Å; I411-W472 HydrophobicContact CD1-CH2 3.59Å; I411-W472 HydrophobicContact CD1-CZ2 4.31Å; I411-W472 HydrophobicContact CD1-CZ3 4Å; I411-W472 HydrophobicContact CG1-CH2 3.64Å; I411-W472 HydrophobicContact CG1-CZ2 4.22Å; I411-W472 HydrophobicContact CG1-CZ3 4.48Å
412	F	98.9	Very high	98.3	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	97	166.4	-69.1	-80.7	0	0	0	109.2	A169 A184 A187 V189 L404 I410 I425 V433 I434 A435 I436	A169-F412 HydrophobicContact CB-CE1 3.89Å; A169-F412 HydrophobicContact CB-CZ 3.88Å; A184-F412 HydrophobicContact CB-CD1 3.78Å; A184-F412 HydrophobicContact CB-CE1 3.86Å; A184-F412 WeakPolarHBondContact O-CA 3.33Å; A187-F412 HydrophobicContact CB-CD1 4.44Å; V189-F412 HydrophobicContact CG1-CE1 4.15Å; V189-F412 HydrophobicContact CG2-CE1 4.16Å; L404-F412 HydrophobicContact CD1-CE2 3.72Å; L404-F412 HydrophobicContact CD1-CZ 3.66Å; I410-F412 HydrophobicContact CB-CE2 4.08Å; I410-F412 HydrophobicContact CG2-CD2 3.89Å; I410-F412 HydrophobicContact CG2-CE1 4.22Å; I410-F412 HydrophobicContact CG2-CE2 3.47Å; I410-F412 VanDerWaalsContact CG2-CE2 3.47Å; I410-F412 HydrophobicContact CG2-CG 4.43Å; I410-F412 HydrophobicContact CG2-CZ 3.66Å; F412-I425 HydrophobicContact CB-CB 3.88Å; F412-I425 HydrophobicContact CB-CG2 4.43Å; F412-I425 HydrophobicContact CD1-CB 4.23Å; F412-I425 HydrophobicContact CD1-CG1 4.06Å; F412-I425 HydrophobicContact CD2-CB 3.89Å; F412-I425 HydrophobicContact CD2-CG1 3.9Å; F412-I425 HydrophobicContact CD2-CG2 4.12Å; F412-I425 HydrophobicContact CE1-CG1 4.14Å; F412-I425 HydrophobicContact CE2-CB 4.47Å; F412-I425 HydrophobicContact CE2-CG1 3.98Å; F412-I425 HydrophobicContact CG-CB 3.74Å; F412-I425 HydrophobicContact CG-CG1 3.93Å; F412-I425 HydrophobicContact CG-CG2 4.39Å; F412-I425 HydrophobicContact CZ-CG1 4.09Å; F412-V433 HydrophobicContact CD2-CG1 4.11Å; F412-V433 HydrophobicContact CE2-CG1 3.85Å; F412-I434 PolarHBondContact N-O 3.03Å; F412-A435 CarbonylContact O-C 3.47Å; F412-A435 VanDerWaalsContact O-CA 3.25Å; F412-A435 WeakPolarHBondContact O-CA 3.43Å; F412-I436 PolarHBondContact O-N 3.26Å
413	S	98.9	Very high	98.4	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	141.6	174.2	53.7	0	0	0	0	110.2	A184 A185 S186 I436 D446	A184-S413 PolarHBondContact O-N 2.86Å; A185-S413 VanDerWaalsContact CA-OG 3.24Å; A185-S413 WeakPolarHBondContact CA-OG 3.28Å; A185-S413 WeakPolarHBondContact CB-OG 2.97Å; S186-S413 WeakPolarHBondContact CA-O 3.43Å; S186-S413 PolarHBondContact N-O 3.35Å; S413-I436 CarbonylContact C-O 3.58Å; S413-I436 VanDerWaalsContact CA-O 3.26Å; S413-I436 WeakPolarHBondContact CA-O 3.33Å; S413-D446 WeakPolarHBondContact CB-OD2 3.24Å; S413-D446 PolarHBondContact OG-OD2 2.89Å
414	N	98.9	Very high	98.4	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	135.3	175.3	-72.4	-87.3	0	0	0	110.5	A421 I425 I436 T437 I438	N414-A421 HydrophobicContact CB-CB 3.89Å; N414-I425 PolarHBondContact ND2-O 2.98Å; N414-I425 VanDerWaalsContact ND2-O 3.16Å; N414-I436 PolarHBondContact N-O 3.42Å; N414-T437 CarbonylContact O-C 3.44Å; N414-T437 WeakPolarHBondContact O-CA 3.46Å; N414-I438 PolarHBondContact O-N 3.42Å
415	G	98.8	Very high	98.5	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.01	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	144.8	168.3	0	0	0	0	0	111.5	L417 D418 A421 A441	G415-L417 VanDerWaalsContact C-N 3.32Å; G415-D418 PolarHBondContact O-N 3.49Å; G415-A421 VanDerWaalsContact O-CB 3.25Å; G415-A421 WeakPolarHBondContact O-CB 3.4Å; G415-A441 CarbonylContact C-O 3.55Å; G415-A441 VanDerWaalsContact C-O 3.23Å; G415-A441 WeakPolarHBondContact CA-O 3.42Å
416	N	98.6	Very high	98.6	Very high	61 Å²	61	21.2 Å²	21.2	33%	0.326	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-16.4	177.3	76	-51	0	0	0	113.9	I438 Q439 G440 A441	N416-I438 PolarHBondContact N-O 3.48Å; N416-I438 VanDerWaalsContact N-O 3.08Å; N416-I438 PolarHBondContact OD1-O 3.16Å; N416-Q439 PolarHBondContact ND2-OE1 3.38Å; N416-Q439 WeakPolarHBondContact OD1-CA 3.49Å; N416-G440 PolarHBondContact OD1-N 2.94Å; N416-A441 PolarHBondContact N-O 3.24Å
417	L	98.7	Very high	98.6	Very high	41 Å²	41	26 Å²	26	22%	0.215	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	4.1	173.9	-53.2	177.1	0	0	0	112	G415 P419 A441 A442	G415-L417 VanDerWaalsContact C-N 3.32Å; L417-P419 WeakPolarHBondContact O-CD 3.24Å; L417-A441 WeakPolarHBondContact CB-O 3.23Å; L417-A441 PolarHBondContact N-O 3.06Å; L417-A442 HydrophobicContact CB-CB 4.45Å
418	D	98.9	Very high	98.6	Very high	3 Å²	3	30 Å²	30	2%	0.016	15%	0.149	C	C	.	.			trans	-89.2	117.6	178.7	-179.6	11.5	0	0	0	110	S186 G415 W420 A421 H443	S186-D418 VanDerWaalsContact CB-OD2 3.28Å; S186-D418 WeakPolarHBondContact CB-OD2 3.28Å; S186-D418 PolarHBondContact OG-OD2 3.43Å; G415-D418 PolarHBondContact O-N 3.49Å; D418-W420 PolarHBondContact O-N 3.04Å; D418-W420 VanDerWaalsContact O-N 3.11Å; D418-W420 WeakPolarHBondContact OD1-CB 3.48Å; D418-W420 PolarHBondContact OD1-N 3.23Å; D418-A421 HydrophobicContact CB-CB 4.29Å; D418-A421 WeakPolarHBondContact O-CB 3.45Å; D418-A421 PolarHBondContact O-N 3.5Å; D418-H443 VanDerWaalsContact CG-ND1 3.26Å; D418-H443 IonicContact OD1-CG 2.63Å; D418-H443 IonicContact OD1-ND1 2.78Å; D418-H443 PolarHBondContact OD1-ND1 3.19Å; D418-H443 IonicContact OD2-CE1 3.21Å; D418-H443 IonicContact OD2-CG 3.69Å; D418-H443 IonicContact OD2-ND1 3.13Å; D418-H443 PolarHBondContact OD2-ND1 2.97Å
419	P	98.8	Very high	98.6	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-17.9	176.9	28.2	-37.3	0	0	0	112.9	Q200 F201 D204 V205 A270 M271 L417 A421	Q200-P419 PolarHBondContact NE2-O 3.29Å; F201-P419 HydrophobicContact CD2-CB 3.93Å; F201-P419 HydrophobicContact CD2-CG 4.5Å; F201-P419 WeakPolarHBondContact CD2-O 3.45Å; F201-P419 HydrophobicContact CE1-CB 4.47Å; F201-P419 HydrophobicContact CE2-CB 3.61Å; F201-P419 HydrophobicContact CE2-CG 3.7Å; F201-P419 HydrophobicContact CG-CB 4.47Å; F201-P419 HydrophobicContact CZ-CB 3.93Å; F201-P419 HydrophobicContact CZ-CG 3.75Å; D204-P419 HydrophobicContact CB-CB 4.38Å; V205-P419 HydrophobicContact CG2-CB 3.5Å; V205-P419 HydrophobicContact CG2-CG 3.82Å; A270-P419 HydrophobicContact CB-CG 4.3Å; M271-P419 HydrophobicContact CG-CG 3.84Å; L417-P419 WeakPolarHBondContact O-CD 3.24Å; P419-A421 VanDerWaalsContact C-N 3.35Å
420	W	98.9	Very high	98.6	Very high	12 Å²	12	30.4 Å²	30.4	5%	0.045	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-17.8	173	-68.4	104.9	0	0	0	114	P188 F201 M271 T336 L357 F359 D418 G422 G423 H443	P188-W420 HydrophobicContact CB-CB 4.44Å; P188-W420 HydrophobicContact CB-CE3 3.66Å; P188-W420 HydrophobicContact CB-CZ3 4.32Å; P188-W420 HydrophobicContact CG-CD2 4.35Å; P188-W420 HydrophobicContact CG-CE3 3.68Å; P188-W420 HydrophobicContact CG-CZ3 4.13Å; F201-W420 HydrophobicContact CD2-CD2 4.02Å; F201-W420 HydrophobicContact CD2-CE3 4.13Å; F201-W420 HydrophobicContact CD2-CG 4.47Å; F201-W420 HydrophobicContact CD2-CZ3 4.47Å; F201-W420 AromaticContact CE2-CD1 3.75Å; F201-W420 AromaticContact CE2-CD2 3.47Å; F201-W420 HydrophobicContact CE2-CD2 3.47Å; F201-W420 VanDerWaalsContact CE2-CD2 3.47Å; F201-W420 AromaticContact CE2-CE2 3.34Å; F201-W420 HydrophobicContact CE2-CE3 4.03Å; F201-W420 AromaticContact CE2-CG 3.77Å; F201-W420 HydrophobicContact CE2-CG 3.77Å; F201-W420 HydrophobicContact CE2-CH2 4.37Å; F201-W420 AromaticContact CE2-CZ2 3.83Å; F201-W420 HydrophobicContact CE2-CZ2 3.83Å; F201-W420 HydrophobicContact CE2-CZ3 4.47Å; F201-W420 AromaticContact CE2-NE1 3.5Å; F201-W420 HydrophobicContact CZ-CD2 4.44Å; F201-W420 AromaticContact CZ-CE2 3.88Å; F201-W420 HydrophobicContact CZ-CZ2 4.14Å; F201-W420 AromaticContact CZ-NE1 3.82Å; M271-W420 PolarHBondContact SD-NE1 3.42Å; M271-W420 VanDerWaalsContact SD-NE1 3.42Å; T336-W420 HydrophobicContact CG2-CH2 3.8Å; T336-W420 HydrophobicContact CG2-CZ2 3.63Å; L357-W420 HydrophobicContact CD2-CH2 3.77Å; L357-W420 HydrophobicContact CD2-CZ3 3.78Å; F359-W420 HydrophobicContact CE2-CH2 4.19Å; F359-W420 AromaticContact CE2-CZ3 3.71Å; F359-W420 HydrophobicContact CE2-CZ3 3.71Å; F359-W420 HydrophobicContact CZ-CZ3 4.38Å; D418-W420 PolarHBondContact O-N 3.04Å; D418-W420 VanDerWaalsContact O-N 3.11Å; D418-W420 WeakPolarHBondContact OD1-CB 3.48Å; D418-W420 PolarHBondContact OD1-N 3.23Å; W420-G422 PolarHBondContact O-N 2.97Å; W420-G423 WeakPolarHBondContact O-CA 3.06Å; W420-G423 PolarHBondContact O-N 3.48Å; W420-H443 AromaticContact CD1-CE1 3.52Å; W420-H443 AromaticContact CD1-ND1 3.67Å; W420-H443 AromaticContact CG-CE1 3.94Å
421	A	98.6	Very high	98.5	Very high	2 Å²	2	35.5 Å²	35.5	2%	0.017	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-61.1	-32.7	-175.8	0	0	0	0	0	112.5	N414 G415 D418 P419 G423 G424 R426	N414-A421 HydrophobicContact CB-CB 3.89Å; G415-A421 VanDerWaalsContact O-CB 3.25Å; G415-A421 WeakPolarHBondContact O-CB 3.4Å; D418-A421 HydrophobicContact CB-CB 4.29Å; D418-A421 WeakPolarHBondContact O-CB 3.45Å; D418-A421 PolarHBondContact O-N 3.5Å; P419-A421 VanDerWaalsContact C-N 3.35Å; A421-G423 PolarHBondContact O-N 3.49Å; A421-G424 PolarHBondContact O-N 3.4Å; A421-R426 WeakPolarHBondContact O-CD 3.12Å; A421-R426 PolarHBondContact O-NH1 3.35Å
422	G	98	Very high	98.5	Very high	32 Å²	32	37 Å²	37	33%	0.33	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-65.5	-22.4	175.8	0	0	0	0	0	113.7	W420	W420-G422 PolarHBondContact O-N 2.97Å
423	G	98.4	Very high	98.5	Very high	3 Å²	3	37 Å²	37	3%	0.031	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-87.6	-2.6	175.1	0	0	0	0	0	114.8	P188 V189 L190 A191 W420 A421	P188-G423 CarbonylContact C-O 3.6Å; P188-G423 VanDerWaalsContact CA-O 3.26Å; P188-G423 WeakPolarHBondContact CA-O 3.43Å; V189-G423 PolarHBondContact N-O 2.8Å; L190-G423 WeakPolarHBondContact CA-O 3.34Å; L190-G423 VanDerWaalsContact CB-O 3.24Å; L190-G423 WeakPolarHBondContact CB-O 3.41Å; L190-G423 PolarHBondContact N-O 3.01Å; A191-G423 PolarHBondContact N-O 2.89Å; A191-G423 VanDerWaalsContact N-O 3.16Å; W420-G423 WeakPolarHBondContact O-CA 3.06Å; W420-G423 PolarHBondContact O-N 3.48Å; A421-G423 PolarHBondContact O-N 3.49Å
424	G	98.4	Very high	98.5	Very high	2 Å²	2	38.2 Å²	38.2	2%	0.021	21%	0.21	C	C	.	.	S	Bend	trans	-106.2	-174.4	-175.5	0	0	0	0	0	115	A187 L190 A421	A187-G424 WeakPolarHBondContact O-CA 3.07Å; L190-G424 WeakPolarHBondContact CD1-O 3.47Å; A421-G424 PolarHBondContact O-N 3.4Å
425	I	98.7	Very high	98.4	Very high	7 Å²	7	39.1 Å²	39.1	4%	0.036	22%	0.218	C	C	.	.			trans	-82.5	122.9	173.4	-55	-54	0	0	0	110.1	V189 L190 L404 F412 N414 R427 L429 A435	V189-I425 HydrophobicContact CG2-CD1 3.87Å; V189-I425 HydrophobicContact CG2-CG1 3.76Å; L190-I425 HydrophobicContact CD1-CD1 4.21Å; L190-I425 HydrophobicContact CD2-CD1 3.75Å; L190-I425 HydrophobicContact CG-CD1 3.99Å; L404-I425 HydrophobicContact CD1-CD1 4.29Å; L404-I425 HydrophobicContact CD1-CG1 4.23Å; F412-I425 HydrophobicContact CB-CB 3.88Å; F412-I425 HydrophobicContact CB-CG2 4.43Å; F412-I425 HydrophobicContact CD1-CB 4.23Å; F412-I425 HydrophobicContact CD1-CG1 4.06Å; F412-I425 HydrophobicContact CD2-CB 3.89Å; F412-I425 HydrophobicContact CD2-CG1 3.9Å; F412-I425 HydrophobicContact CD2-CG2 4.12Å; F412-I425 HydrophobicContact CE1-CG1 4.14Å; F412-I425 HydrophobicContact CE2-CB 4.47Å; F412-I425 HydrophobicContact CE2-CG1 3.98Å; F412-I425 HydrophobicContact CG-CB 3.74Å; F412-I425 HydrophobicContact CG-CG1 3.93Å; F412-I425 HydrophobicContact CG-CG2 4.39Å; F412-I425 HydrophobicContact CZ-CG1 4.09Å; N414-I425 PolarHBondContact ND2-O 2.98Å; N414-I425 VanDerWaalsContact ND2-O 3.16Å; I425-R427 WeakPolarHBondContact CG2-O 3.4Å; I425-L429 HydrophobicContact CD1-CD1 4.16Å; I425-L429 HydrophobicContact CG1-CD1 4.38Å; I425-L429 HydrophobicContact CG2-CD1 3.77Å; I425-L429 HydrophobicContact CG2-CD2 4.29Å; I425-L429 HydrophobicContact CG2-CG 3.88Å; I425-A435 HydrophobicContact CG2-CB 4.45Å
426	R	97.9	Very high	98.4	Very high	108 Å²	108	39.8 Å²	39.8	41%	0.408	22%	0.221	S	C	.	.			trans	-115.5	3	-171.4	-60	-65.9	-73.3	-82.1	4.1	115.4	A421	A421-R426 WeakPolarHBondContact O-CD 3.12Å; A421-R426 PolarHBondContact O-NH1 3.35Å
427	R	98.1	Very high	98.4	Very high	189 Å²	189	39.5 Å²	39.5	71%	0.713	22%	0.221	S	C	*	.	S	Bend	trans	-147.9	153	178.2	63.7	-174.3	177.9	102	-1.6	110.2	I425 L429 A435	I425-R427 WeakPolarHBondContact CG2-O 3.4Å; R427-L429 HydrophobicContact CG-CD2 4.22Å; R427-L429 PolarHBondContact O-N 2.91Å; R427-A435 VanDerWaalsContact C-CB 3.4Å
428	N	98.5	Very high	98.4	Very high	92 Å²	92	37.5 Å²	37.5	49%	0.492	21%	0.211	S	C	.	.			trans	-56.8	133.4	172.5	-65	0.1	0	0	0	109.7	I434 A435	N428-I434 WeakPolarHBondContact OD1-CA 3.24Å; N428-A435 PolarHBondContact OD1-N 3.3Å; N428-A435 PolarHBondContact OD1-O 2.86Å
429	L	98.3	Very high	98.4	Very high	46 Å²	46	42.4 Å²	42.4	24%	0.241	23%	0.234	C	C	.	.			trans	-103.8	-24.1	178.9	-57.2	-177.8	0	0	0	111.6	L404 I425 R427 V433	L404-L429 HydrophobicContact CB-CD1 3.85Å; L404-L429 HydrophobicContact CD1-CD1 4.07Å; L404-L429 HydrophobicContact CG-CD1 4.23Å; I425-L429 HydrophobicContact CD1-CD1 4.16Å; I425-L429 HydrophobicContact CG1-CD1 4.38Å; I425-L429 HydrophobicContact CG2-CD1 3.77Å; I425-L429 HydrophobicContact CG2-CD2 4.29Å; I425-L429 HydrophobicContact CG2-CG 3.88Å; R427-L429 HydrophobicContact CG-CD2 4.22Å; R427-L429 PolarHBondContact O-N 2.91Å; L429-V433 HydrophobicContact CB-CB 4.23Å; L429-V433 HydrophobicContact CB-CG1 3.99Å; L429-V433 HydrophobicContact CD1-CG1 4.09Å; L429-V433 HydrophobicContact CG-CG1 4.29Å; L429-V433 PolarHBondContact N-O 3.23Å
430	S	98.2	Very high	98.4	Very high	40 Å²	40	44.2 Å²	44.2	28%	0.28	25%	0.252	S	S	.	.	S	Bend	trans	-155	-173	173.5	76.5	0	0	0	0	110.2	S432 V433	S430-S432 PolarHBondContact O-N 2.95Å; S430-S432 PolarHBondContact OG-N 3Å; S430-V433 PolarHBondContact N-O 2.98Å; S430-V433 WeakPolarHBondContact OG-CB 3.35Å; S430-V433 PolarHBondContact OG-N 3.16Å
431	A	97.6	Very high	98.3	Very high	107 Å²	107	43.6 Å²	43.6	88%	0.884	25%	0.25	S	C	*	.	S	Bend	trans	-66.2	-23.7	174.9	0	0	0	0	0	113.6
432	S	98	Very high	98.3	Very high	32 Å²	32	43.5 Å²	43.5	22%	0.224	25%	0.249	C	C	.	.	S	Bend	trans	-124.5	-0.6	-177.5	66.9	0	0	0	0	114.3	S408 N409 I410 S430	S408-S432 WeakPolarHBondContact CA-OG 3.49Å; N409-S432 CarbonylContact C-O 3.6Å; N409-S432 WeakPolarHBondContact CA-O 3.38Å; N409-S432 PolarHBondContact N-O 2.98Å; N409-S432 PolarHBondContact N-OG 3.4Å; N409-S432 WeakPolarHBondContact OD1-CB 3.39Å; I410-S432 PolarHBondContact N-O 3.28Å; S430-S432 PolarHBondContact O-N 2.95Å; S430-S432 PolarHBondContact OG-N 3Å
433	V	98.8	Very high	98.3	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	94.2	166.2	-177.1	0	0	0	0	107.3	A407 I410 F412 L429 S430	A407-V433 HydrophobicContact CB-CG2 4.05Å; A407-V433 WeakPolarHBondContact O-CG2 3.49Å; I410-V433 WeakPolarHBondContact O-CA 3.38Å; F412-V433 HydrophobicContact CD2-CG1 4.11Å; F412-V433 HydrophobicContact CE2-CG1 3.85Å; L429-V433 HydrophobicContact CB-CB 4.23Å; L429-V433 HydrophobicContact CB-CG1 3.99Å; L429-V433 HydrophobicContact CD1-CG1 4.09Å; L429-V433 HydrophobicContact CG-CG1 4.29Å; L429-V433 PolarHBondContact N-O 3.23Å; S430-V433 PolarHBondContact N-O 2.98Å; S430-V433 WeakPolarHBondContact OG-CB 3.35Å; S430-V433 PolarHBondContact OG-N 3.16Å
434	I	98.5	Very high	98.3	Very high	24 Å²	24	42.4 Å²	42.4	12%	0.123	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	146.2	-169.1	63.5	172.9	0	0	0	111	I410 I411 F412 N428 V468	I410-I434 PolarHBondContact O-N 3.4Å; I411-I434 CarbonylContact C-O 3.19Å; I411-I434 WeakPolarHBondContact CA-O 3.35Å; I411-I434 HydrophobicContact CB-CG1 4.29Å; I411-I434 HydrophobicContact CG1-CD1 3.69Å; I411-I434 HydrophobicContact CG1-CG1 3.59Å; F412-I434 PolarHBondContact N-O 3.03Å; N428-I434 WeakPolarHBondContact OD1-CA 3.24Å; I434-V468 HydrophobicContact CD1-CG1 4.24Å; I434-V468 HydrophobicContact CD1-CG2 4.01Å
435	A	98.8	Very high	98.3	Very high	19 Å²	19	42.3 Å²	42.3	16%	0.157	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	134.3	175	0	0	0	0	0	109.9	F412 I425 R427 N428	F412-A435 CarbonylContact O-C 3.47Å; F412-A435 VanDerWaalsContact O-CA 3.25Å; F412-A435 WeakPolarHBondContact O-CA 3.43Å; I425-A435 HydrophobicContact CG2-CB 4.45Å; R427-A435 VanDerWaalsContact C-CB 3.4Å; N428-A435 PolarHBondContact OD1-N 3.3Å; N428-A435 PolarHBondContact OD1-O 2.86Å
436	I	98.8	Very high	98.3	Very high	15 Å²	15	42 Å²	42	8%	0.077	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	124.6	177	-60.2	179.1	0	0	0	107.5	I411 F412 S413 N414 I438 A461 L464 E465	I411-I436 HydrophobicContact CG2-CD1 3.6Å; I411-I436 HydrophobicContact CG2-CG1 4.03Å; F412-I436 PolarHBondContact O-N 3.26Å; S413-I436 CarbonylContact C-O 3.58Å; S413-I436 VanDerWaalsContact CA-O 3.26Å; S413-I436 WeakPolarHBondContact CA-O 3.33Å; N414-I436 PolarHBondContact N-O 3.42Å; I436-I438 HydrophobicContact CG2-CG1 4.24Å; I436-A461 HydrophobicContact CG2-CB 3.77Å; I436-L464 HydrophobicContact CD1-CB 4.48Å; I436-L464 HydrophobicContact CD1-CD2 3.81Å; I436-L464 HydrophobicContact CD1-CG 4.07Å; I436-L464 HydrophobicContact CG1-CD2 4.11Å; I436-E465 HydrophobicContact CD1-CG 3.72Å
437	T	98.6	Very high	98.4	Very high	55 Å²	55	36.9 Å²	36.9	34%	0.337	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	129.5	172.5	-59.2	0	0	0	0	109.2	N414	N414-T437 CarbonylContact O-C 3.44Å; N414-T437 WeakPolarHBondContact O-CA 3.46Å
438	I	98.8	Very high	98.4	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	112.1	-176.9	-49.3	168.5	0	0	0	108.2	N414 N416 I436 A441 D446 V458 A461	N414-I438 PolarHBondContact O-N 3.42Å; N416-I438 PolarHBondContact N-O 3.48Å; N416-I438 VanDerWaalsContact N-O 3.08Å; N416-I438 PolarHBondContact OD1-O 3.16Å; I436-I438 HydrophobicContact CG2-CG1 4.24Å; I438-A441 HydrophobicContact CB-CB 3.7Å; I438-A441 HydrophobicContact CG2-CB 3.4Å; I438-D446 HydrophobicContact CD1-CB 3.6Å; I438-V458 HydrophobicContact CD1-CG2 4.43Å; I438-V458 HydrophobicContact CG2-CB 3.65Å; I438-V458 HydrophobicContact CG2-CG2 4.07Å; I438-A461 HydrophobicContact CD1-CB 4.11Å; I438-A461 HydrophobicContact CG1-CB 3.8Å
439	Q	98.6	Very high	98.4	Very high	106 Å²	106	26.1 Å²	26.1	50%	0.495	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	134.4	-179.4	-60.3	-63.1	-37.7	0	0	111	N416 A441 S457	N416-Q439 PolarHBondContact ND2-OE1 3.38Å; N416-Q439 WeakPolarHBondContact OD1-CA 3.49Å; Q439-A441 VanDerWaalsContact C-N 3.28Å; Q439-S457 PolarHBondContact N-OG 3.48Å; Q439-S457 WeakPolarHBondContact O-CB 3.19Å
440	G	97.1	Very high	98.4	Very high	37 Å²	37	26.7 Å²	26.7	38%	0.381	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.8	22.9	-176.3	0	0	0	0	0	113.3	N416	N416-G440 PolarHBondContact OD1-N 2.94Å
441	A	97.7	Very high	98.4	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	18%	0.182	C	C	.	.			trans	-116.9	137.7	179.7	0	0	0	0	0	110.8	G415 N416 L417 I438 Q439 L445	G415-A441 CarbonylContact C-O 3.55Å; G415-A441 VanDerWaalsContact C-O 3.23Å; G415-A441 WeakPolarHBondContact CA-O 3.42Å; N416-A441 PolarHBondContact N-O 3.24Å; L417-A441 WeakPolarHBondContact CB-O 3.23Å; L417-A441 PolarHBondContact N-O 3.06Å; I438-A441 HydrophobicContact CB-CB 3.7Å; I438-A441 HydrophobicContact CG2-CB 3.4Å; Q439-A441 VanDerWaalsContact C-N 3.28Å; A441-L445 HydrophobicContact CB-CB 3.85Å; A441-L445 HydrophobicContact CB-CD2 3.74Å; A441-L445 HydrophobicContact CB-CG 4.41Å
442	A	98.2	Very high	98.4	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.172	C	C	.	.			trans	-90.2	-150.3	169.3	0	0	0	0	0	110.6	M271 D273 Y274 L417 H444	M271-A442 WeakPolarHBondContact O-CB 3.38Å; D273-A442 HydrophobicContact CB-CB 4Å; Y274-A442 HydrophobicContact CD1-CB 4.23Å; Y274-A442 HydrophobicContact CE1-CB 4.24Å; L417-A442 HydrophobicContact CB-CB 4.45Å; A442-H444 PolarHBondContact O-N 3.02Å; A442-H444 VanDerWaalsContact O-N 3.16Å
443	H	98.6	Very high	98.4	Very high	3 Å²	3	31.5 Å²	31.5	1%	0.014	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	114.3	-170.5	-159.5	58.1	0	0	0	112.1	S162 M271 M272 Y274 D418 W420 L445	S162-H443 VanDerWaalsContact CB-NE2 3.29Å; S162-H443 WeakPolarHBondContact CB-NE2 3.24Å; S162-H443 PolarHBondContact OG-NE2 3.18Å; M271-H443 HydrophobicContact CB-CB 4.18Å; M271-H443 WeakPolarHBondContact O-CB 3.08Å; M271-H443 PolarHBondContact O-N 2.87Å; M272-H443 HydrophobicContact CE-CB 4.04Å; Y274-H443 VanDerWaalsContact CE1-O 3.31Å; Y274-H443 WeakPolarHBondContact CE1-O 3.38Å; Y274-H443 PolarHBondContact OH-O 3.07Å; D418-H443 VanDerWaalsContact CG-ND1 3.26Å; D418-H443 IonicContact OD1-CG 2.63Å; D418-H443 IonicContact OD1-ND1 2.78Å; D418-H443 PolarHBondContact OD1-ND1 3.19Å; D418-H443 IonicContact OD2-CE1 3.21Å; D418-H443 IonicContact OD2-CG 3.69Å; D418-H443 IonicContact OD2-ND1 3.13Å; D418-H443 PolarHBondContact OD2-ND1 2.97Å; W420-H443 AromaticContact CD1-CE1 3.52Å; W420-H443 AromaticContact CD1-ND1 3.67Å; W420-H443 AromaticContact CG-CE1 3.94Å; H443-L445 VanDerWaalsContact C-N 3.31Å; H443-L445 PolarHBondContact O-N 2.8Å; H443-L445 VanDerWaalsContact O-N 3.13Å
444	H	98.3	Very high	98.4	Very high	9 Å²	9	32.3 Å²	32.3	4%	0.042	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	42.5	45.1	177.8	61.1	63.2	0	0	0	115.8	A185 S186 F280 A442 D446 L447	A185-H444 HydrophobicContact CB-CB 3.81Å; S186-H444 WeakPolarHBondContact OG-CA 3.46Å; S186-H444 PolarHBondContact OG-N 3.27Å; F280-H444 AromaticContact CE1-CE1 3.95Å; F280-H444 AromaticContact CE1-NE2 3.88Å; A442-H444 PolarHBondContact O-N 3.02Å; A442-H444 VanDerWaalsContact O-N 3.16Å; H444-D446 VanDerWaalsContact CA-OD1 3.29Å; H444-D446 WeakPolarHBondContact CA-OD1 3.42Å; H444-D446 PolarHBondContact O-N 3.38Å; H444-L447 HydrophobicContact CB-CD1 4.3Å; H444-L447 HydrophobicContact CB-CG 4.4Å; H444-L447 PolarHBondContact O-N 3.05Å; H444-L447 VanDerWaalsContact O-N 3.12Å
445	L	98.8	Very high	98.4	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-57.5	-32.1	177.3	-179.9	57.8	0	0	0	112.5	Y274 Y276 A441 H443 L447 R448 P455 V458 R462	Y274-L445 HydrophobicContact CD1-CB 4.32Å; Y274-L445 HydrophobicContact CD1-CD1 3.73Å; Y274-L445 HydrophobicContact CD1-CG 4.47Å; Y274-L445 HydrophobicContact CE1-CB 4.15Å; Y274-L445 HydrophobicContact CE1-CD1 4.15Å; Y276-L445 HydrophobicContact CE1-CD1 4.28Å; Y276-L445 WeakPolarHBondContact OH-CD1 3.35Å; A441-L445 HydrophobicContact CB-CB 3.85Å; A441-L445 HydrophobicContact CB-CD2 3.74Å; A441-L445 HydrophobicContact CB-CG 4.41Å; H443-L445 VanDerWaalsContact C-N 3.31Å; H443-L445 PolarHBondContact O-N 2.8Å; H443-L445 VanDerWaalsContact O-N 3.13Å; L445-L447 PolarHBondContact O-N 2.95Å; L445-R448 HydrophobicContact CD1-CB 4.38Å; L445-R448 HydrophobicContact CD1-CG 4.29Å; L445-R448 WeakPolarHBondContact O-CB 3.44Å; L445-R448 PolarHBondContact O-N 3.13Å; L445-P455 HydrophobicContact CD2-CG 4.07Å; L445-V458 HydrophobicContact CB-CG2 4.49Å; L445-V458 HydrophobicContact CD2-CB 4.3Å; L445-V458 HydrophobicContact CD2-CG1 4.2Å; L445-V458 HydrophobicContact CD2-CG2 4.48Å; L445-V458 HydrophobicContact CG-CB 4.44Å; L445-V458 HydrophobicContact CG-CG1 4.39Å; L445-V458 HydrophobicContact CG-CG2 4.09Å; L445-R462 PolarHBondContact O-NH2 3.39Å
446	D	98.8	Very high	98.4	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-54.9	-34.1	175	51.5	-44.1	0	0	0	113.5	F90 A185 S413 I438 H444 R448 V458 R462	F90-D446 VanDerWaalsContact CB-O 3.25Å; F90-D446 WeakPolarHBondContact CB-O 3.33Å; F90-D446 WeakPolarHBondContact CD1-O 3.46Å; F90-D446 WeakPolarHBondContact CG-O 3.36Å; A185-D446 WeakPolarHBondContact CB-OD2 3.42Å; S413-D446 WeakPolarHBondContact CB-OD2 3.24Å; S413-D446 PolarHBondContact OG-OD2 2.89Å; I438-D446 HydrophobicContact CD1-CB 3.6Å; H444-D446 VanDerWaalsContact CA-OD1 3.29Å; H444-D446 WeakPolarHBondContact CA-OD1 3.42Å; H444-D446 PolarHBondContact O-N 3.38Å; D446-R448 VanDerWaalsContact C-N 3.34Å; D446-R448 PolarHBondContact O-N 3.39Å; D446-V458 HydrophobicContact CB-CG2 4.14Å; D446-R462 HydrophobicContact CB-CG 4.43Å; D446-R462 PolarHBondContact O-NE 3.27Å
447	L	98.9	Very high	98.4	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-75.9	-21.3	178	-64.8	-173.9	0	0	0	113.7	Y74 S88 G89 F90 L183 A185 H444 L445	Y74-L447 HydrophobicContact CE2-CD1 4.38Å; S88-L447 CarbonylContact C-O 3.23Å; S88-L447 WeakPolarHBondContact CA-O 3.4Å; G89-L447 PolarHBondContact N-O 3.03Å; G89-L447 VanDerWaalsContact N-O 3.12Å; F90-L447 WeakPolarHBondContact CB-O 3.29Å; F90-L447 PolarHBondContact N-O 3.34Å; L183-L447 HydrophobicContact CD2-CD2 3.81Å; L183-L447 HydrophobicContact CG-CD2 4.38Å; A185-L447 HydrophobicContact CB-CD1 3.72Å; A185-L447 HydrophobicContact CB-CD2 4.14Å; A185-L447 HydrophobicContact CB-CG 3.68Å; H444-L447 HydrophobicContact CB-CD1 4.3Å; H444-L447 HydrophobicContact CB-CG 4.4Å; H444-L447 PolarHBondContact O-N 3.05Å; H444-L447 VanDerWaalsContact O-N 3.12Å; L445-L447 PolarHBondContact O-N 2.95Å
448	R	98.7	Very high	98.4	Very high	22 Å²	22	35.6 Å²	35.6	8%	0.083	21%	0.211	C	C	.	.	S	Bend	trans	-65.5	157.7	-179.5	-57.3	-164.3	68.5	79.5	7.5	111	N87 F90 Y276 L445 D446 R462	N87-R448 PolarHBondContact OD1-NH1 3.38Å; N87-R448 PolarHBondContact OD1-NH2 2.89Å; F90-R448 WeakPolarHBondContact CB-O 3.4Å; F90-R448 PolarHBondContact N-O 3.14Å; Y276-R448 WeakPolarHBondContact OH-CB 3.39Å; L445-R448 HydrophobicContact CD1-CB 4.38Å; L445-R448 HydrophobicContact CD1-CG 4.29Å; L445-R448 WeakPolarHBondContact O-CB 3.44Å; L445-R448 PolarHBondContact O-N 3.13Å; D446-R448 VanDerWaalsContact C-N 3.34Å; D446-R448 PolarHBondContact O-N 3.39Å; R448-R462 VanDerWaalsContact O-CZ 3.3Å; R448-R462 PolarHBondContact O-NH2 2.04Å
449	A	98.4	Very high	98.4	Very high	34 Å²	34	38 Å²	38	28%	0.281	23%	0.226	S	C	.	.	P	Polyproline II helix	trans	-55.4	150.8	170.7	0	0	0	0	0	111.1	A26 E93 H451	A26-A449 HydrophobicContact CB-CB 3.81Å; E93-A449 WeakPolarHBondContact OE1-CA 3.3Å; A449-H451 PolarHBondContact O-N 3.49Å
450	S	98.4	Very high	98.4	Very high	58 Å²	58	37.6 Å²	37.6	41%	0.406	22%	0.224	S	C	.	.	P	Polyproline II helix	trans	-60.1	135.6	171.7	-67.3	0	0	0	0	110.9	E93 D454	E93-S450 PolarHBondContact OE1-N 2.85Å; E93-S450 WeakPolarHBondContact OE2-CB 3.21Å; E93-S450 PolarHBondContact OE2-N 3.04Å; E93-S450 PolarHBondContact OE2-OG 3.47Å; S450-D454 WeakPolarHBondContact CA-OD2 3.3Å
451	H	98.2	Very high	98.5	Very high	70 Å²	70	36 Å²	36	32%	0.324	21%	0.208	S	C	.	.			trans	-136.5	143.9	-176.8	-155.7	-89.6	0	0	0	110.4	Y276 A449 E453 D454	Y276-H451 HydrophobicContact CD1-CB 3.75Å; Y276-H451 AromaticContact CD1-CG 3.5Å; Y276-H451 VanDerWaalsContact CD1-CG 3.5Å; Y276-H451 AromaticContact CD1-ND1 3.35Å; Y276-H451 VanDerWaalsContact CD1-ND1 3.35Å; Y276-H451 WeakPolarHBondContact CD1-ND1 3.24Å; Y276-H451 HydrophobicContact CE1-CB 3.44Å; Y276-H451 VanDerWaalsContact CE1-CB 3.44Å; Y276-H451 AromaticContact CE1-CG 3.71Å; Y276-H451 HydrophobicContact CG-CB 4.44Å; Y276-H451 AromaticContact CG-CE1 3.79Å; Y276-H451 AromaticContact CG-CG 3.78Å; Y276-H451 AromaticContact CG-ND1 3.56Å; A449-H451 PolarHBondContact O-N 3.49Å; H451-E453 VanDerWaalsContact CE1-CD 3.5Å; H451-E453 IonicContact CE1-OE2 3.72Å; H451-E453 PolarHBondContact CE1-OE2 3.41Å; H451-E453 IonicContact CG-OE2 2.95Å; H451-E453 IonicContact ND1-OE2 3.53Å; H451-E453 PolarHBondContact ND1-OE2 3.13Å; H451-E453 PolarHBondContact O-N 3.13Å; H451-E453 VanDerWaalsContact O-N 3.15Å; H451-D454 PolarHBondContact N-OD2 3.25Å; H451-D454 VanDerWaalsContact O-CB 3.23Å; H451-D454 WeakPolarHBondContact O-CB 3.33Å; H451-D454 VanDerWaalsContact O-CG 3.3Å; H451-D454 PolarHBondContact O-N 2.95Å
452	P	98.1	Very high	98.6	Very high	104 Å²	104	36.6 Å²	36.6	68%	0.675	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-27.2	179.9	-24	33.4	0	0	0	114.5	A23 D454	A23-P452 HydrophobicContact CB-CG 4.45Å; P452-D454 VanDerWaalsContact C-N 3.32Å
453	E	98.3	Very high	98.6	Very high	105 Å²	105	41.7 Å²	41.7	49%	0.491	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	4	179.7	-67.8	80.2	166.8	0	0	112.8	P275 Y276 H451	P275-E453 WeakPolarHBondContact CB-O 3.27Å; P275-E453 WeakPolarHBondContact CG-O 3.44Å; Y276-E453 HydrophobicContact CD1-CB 4.16Å; H451-E453 VanDerWaalsContact CE1-CD 3.5Å; H451-E453 IonicContact CE1-OE2 3.72Å; H451-E453 PolarHBondContact CE1-OE2 3.41Å; H451-E453 IonicContact CG-OE2 2.95Å; H451-E453 IonicContact ND1-OE2 3.53Å; H451-E453 PolarHBondContact ND1-OE2 3.13Å; H451-E453 PolarHBondContact O-N 3.13Å; H451-E453 VanDerWaalsContact O-N 3.15Å
454	D	98.6	Very high	98.6	Very high	18 Å²	18	45.6 Å²	45.6	10%	0.096	25%	0.252	C	S	.	.			trans	-59.2	132.9	174.4	-81.7	-29.6	0	0	0	110.9	Y276 S450 H451 P452 V458 V459 R462	Y276-D454 WeakPolarHBondContact CE1-OD1 3.33Å; S450-D454 WeakPolarHBondContact CA-OD2 3.3Å; H451-D454 PolarHBondContact N-OD2 3.25Å; H451-D454 VanDerWaalsContact O-CB 3.23Å; H451-D454 WeakPolarHBondContact O-CB 3.33Å; H451-D454 VanDerWaalsContact O-CG 3.3Å; H451-D454 PolarHBondContact O-N 2.95Å; P452-D454 VanDerWaalsContact C-N 3.32Å; D454-V458 HydrophobicContact CB-CG1 3.61Å; D454-V459 HydrophobicContact CB-CG2 4.02Å; D454-R462 IonicContact OD1-NH1 3.36Å; D454-R462 IonicContact OD1-NH2 3.08Å; D454-R462 IonicContact OD2-CZ 3.91Å; D454-R462 IonicContact OD2-NH1 2.77Å; D454-R462 PolarHBondContact OD2-NH1 3.42Å; D454-R462 IonicContact OD2-NH2 3.12Å
455	P	98.3	Very high	98.6	Very high	33 Å²	33	45.1 Å²	45.1	21%	0.214	25%	0.25	C	S	.	.			trans	-63	145.8	171.3	26.6	-34.7	0	0	0	109.6	L445 S457 V458 V459	L445-P455 HydrophobicContact CD2-CG 4.07Å; P455-S457 PolarHBondContact O-N 2.73Å; P455-V458 HydrophobicContact CG-CB 4.3Å; P455-V458 HydrophobicContact CG-CG1 3.93Å; P455-V458 WeakPolarHBondContact O-CG1 3.5Å; P455-V458 PolarHBondContact O-N 2.91Å; P455-V459 PolarHBondContact O-N 3.2Å
456	V	98.6	Very high	98.6	Very high	114 Å²	114	45.9 Å²	45.9	69%	0.691	26%	0.256	S	S	*	.	H	α-helix	trans	-51.2	-35.5	178.3	178.6	0	0	0	0	111.6	V458 V459 E460	V456-V458 VanDerWaalsContact C-N 3.35Å; V456-V458 PolarHBondContact O-N 3.36Å; V456-V459 PolarHBondContact O-N 3.41Å; V456-E460 HydrophobicContact CG1-CG 4.23Å; V456-E460 WeakPolarHBondContact O-CG 3.47Å; V456-E460 PolarHBondContact O-N 3.47Å
457	S	98.7	Very high	98.6	Very high	34 Å²	34	49.8 Å²	49.8	24%	0.238	28%	0.28	C	S	.	.	H	α-helix	trans	-60.6	-37	179.2	-165.2	0	0	0	0	113.9	Q439 P455 A461	Q439-S457 PolarHBondContact N-OG 3.48Å; Q439-S457 WeakPolarHBondContact O-CB 3.19Å; P455-S457 PolarHBondContact O-N 2.73Å; S457-A461 WeakPolarHBondContact O-CB 3.02Å; S457-A461 PolarHBondContact O-N 3.39Å
458	V	98.8	Very high	98.6	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-77	-33.7	178.6	75.2	0	0	0	0	111.2	I438 L445 D446 D454 P455 V456 E460 A461 R462	I438-V458 HydrophobicContact CD1-CG2 4.43Å; I438-V458 HydrophobicContact CG2-CB 3.65Å; I438-V458 HydrophobicContact CG2-CG2 4.07Å; L445-V458 HydrophobicContact CB-CG2 4.49Å; L445-V458 HydrophobicContact CD2-CB 4.3Å; L445-V458 HydrophobicContact CD2-CG1 4.2Å; L445-V458 HydrophobicContact CD2-CG2 4.48Å; L445-V458 HydrophobicContact CG-CB 4.44Å; L445-V458 HydrophobicContact CG-CG1 4.39Å; L445-V458 HydrophobicContact CG-CG2 4.09Å; D446-V458 HydrophobicContact CB-CG2 4.14Å; D454-V458 HydrophobicContact CB-CG1 3.61Å; P455-V458 HydrophobicContact CG-CB 4.3Å; P455-V458 HydrophobicContact CG-CG1 3.93Å; P455-V458 WeakPolarHBondContact O-CG1 3.5Å; P455-V458 PolarHBondContact O-N 2.91Å; V456-V458 VanDerWaalsContact C-N 3.35Å; V456-V458 PolarHBondContact O-N 3.36Å; V458-E460 VanDerWaalsContact C-N 3.33Å; V458-E460 PolarHBondContact O-N 3.44Å; V458-A461 PolarHBondContact O-N 3.22Å; V458-R462 HydrophobicContact CG2-CG 4.41Å; V458-R462 WeakPolarHBondContact O-CB 3.35Å; V458-R462 WeakPolarHBondContact O-CG 3.17Å; V458-R462 PolarHBondContact O-N 3.08Å
459	V	98.8	Very high	98.6	Very high	52 Å²	52	49.6 Å²	49.6	32%	0.315	28%	0.281	S	S	.	.	H	α-helix	trans	-60.6	-45.1	173.9	177.9	0	0	0	0	110.6	D454 P455 V456 K463	D454-V459 HydrophobicContact CB-CG2 4.02Å; P455-V459 PolarHBondContact O-N 3.2Å; V456-V459 PolarHBondContact O-N 3.41Å; V459-K463 WeakPolarHBondContact O-CG 3.35Å; V459-K463 PolarHBondContact O-N 2.97Å
460	E	98.8	Very high	98.6	Very high	96 Å²	96	48.5 Å²	48.5	45%	0.449	27%	0.274	S	S	.	.	H	α-helix	trans	-71	-35.8	176.9	-63.4	-51.6	125.8	0	0	112.8	V456 V458 K463 L464	V456-E460 HydrophobicContact CG1-CG 4.23Å; V456-E460 WeakPolarHBondContact O-CG 3.47Å; V456-E460 PolarHBondContact O-N 3.47Å; V458-E460 VanDerWaalsContact C-N 3.33Å; V458-E460 PolarHBondContact O-N 3.44Å; E460-K463 PolarHBondContact O-N 3.49Å; E460-K463 IonicContact OE1-NZ 2.8Å; E460-K463 PolarHBondContact OE1-NZ 2.85Å; E460-K463 IonicContact OE2-NZ 2.63Å; E460-L464 PolarHBondContact O-N 2.94Å
461	A	98.9	Very high	98.6	Very high	5 Å²	5	51.1 Å²	51.1	4%	0.041	28%	0.28	C	S	.	.	H	α-helix	trans	-60	-50.5	173.9	0	0	0	0	0	111.7	I436 I438 S457 V458 K463 L464 E465	I436-A461 HydrophobicContact CG2-CB 3.77Å; I438-A461 HydrophobicContact CD1-CB 4.11Å; I438-A461 HydrophobicContact CG1-CB 3.8Å; S457-A461 WeakPolarHBondContact O-CB 3.02Å; S457-A461 PolarHBondContact O-N 3.39Å; V458-A461 PolarHBondContact O-N 3.22Å; A461-K463 VanDerWaalsContact C-N 3.3Å; A461-K463 PolarHBondContact O-N 2.89Å; A461-L464 WeakPolarHBondContact O-CB 2.96Å; A461-L464 PolarHBondContact O-N 2.89Å; A461-L464 VanDerWaalsContact O-N 3.07Å; A461-E465 WeakPolarHBondContact O-CG 3.46Å; A461-E465 PolarHBondContact O-N 3.27Å
462	R	98.9	Very high	98.6	Very high	11 Å²	11	48.6 Å²	48.6	4%	0.042	27%	0.267	C	S	.	.	H	α-helix	trans	-59.5	-38	177.5	-73.9	179.3	-172.2	142.4	7	112.7	F90 L445 D446 R448 D454 V458 E465 A466	F90-R462 HydrophobicContact CD1-CG 4.44Å; F90-R462 HydrophobicContact CD2-CB 4.16Å; F90-R462 HydrophobicContact CD2-CG 3.89Å; F90-R462 HydrophobicContact CE1-CG 4.4Å; F90-R462 HydrophobicContact CE2-CB 3.66Å; F90-R462 HydrophobicContact CE2-CG 3.85Å; F90-R462 HydrophobicContact CG-CG 4.19Å; F90-R462 HydrophobicContact CZ-CB 3.95Å; F90-R462 HydrophobicContact CZ-CG 4.11Å; L445-R462 PolarHBondContact O-NH2 3.39Å; D446-R462 HydrophobicContact CB-CG 4.43Å; D446-R462 PolarHBondContact O-NE 3.27Å; R448-R462 VanDerWaalsContact O-CZ 3.3Å; R448-R462 PolarHBondContact O-NH2 2.04Å; D454-R462 IonicContact OD1-NH1 3.36Å; D454-R462 IonicContact OD1-NH2 3.08Å; D454-R462 IonicContact OD2-CZ 3.91Å; D454-R462 IonicContact OD2-NH1 2.77Å; D454-R462 PolarHBondContact OD2-NH1 3.42Å; D454-R462 IonicContact OD2-NH2 3.12Å; V458-R462 HydrophobicContact CG2-CG 4.41Å; V458-R462 WeakPolarHBondContact O-CB 3.35Å; V458-R462 WeakPolarHBondContact O-CG 3.17Å; V458-R462 PolarHBondContact O-N 3.08Å; R462-E465 PolarHBondContact O-N 2.92Å; R462-A466 WeakPolarHBondContact O-CB 3.33Å; R462-A466 PolarHBondContact O-N 3.29Å
463	K	98.8	Very high	98.7	Very high	108 Å²	108	44 Å²	44	47%	0.47	24%	0.237	S	C	.	.	H	α-helix	trans	-63.4	-43	174.1	-73.6	172.6	-172.6	168	0	112.2	V459 E460 A461 T467	V459-K463 WeakPolarHBondContact O-CG 3.35Å; V459-K463 PolarHBondContact O-N 2.97Å; E460-K463 PolarHBondContact O-N 3.49Å; E460-K463 IonicContact OE1-NZ 2.8Å; E460-K463 PolarHBondContact OE1-NZ 2.85Å; E460-K463 IonicContact OE2-NZ 2.63Å; A461-K463 VanDerWaalsContact C-N 3.3Å; A461-K463 PolarHBondContact O-N 2.89Å; K463-T467 WeakPolarHBondContact O-CB 3.3Å; K463-T467 PolarHBondContact O-N 2.92Å; K463-T467 PolarHBondContact O-OG1 3.27Å
464	L	98.8	Very high	98.6	Very high	84 Å²	84	45.3 Å²	45.3	44%	0.44	24%	0.241	S	C	.	.	H	α-helix	trans	-65	-46.4	177.2	178.6	58.8	0	0	0	110.9	I436 E460 A461 T467 V468	I436-L464 HydrophobicContact CD1-CB 4.48Å; I436-L464 HydrophobicContact CD1-CD2 3.81Å; I436-L464 HydrophobicContact CD1-CG 4.07Å; I436-L464 HydrophobicContact CG1-CD2 4.11Å; E460-L464 PolarHBondContact O-N 2.94Å; A461-L464 WeakPolarHBondContact O-CB 2.96Å; A461-L464 PolarHBondContact O-N 2.89Å; A461-L464 VanDerWaalsContact O-N 3.07Å; L464-T467 PolarHBondContact O-N 3.48Å; L464-V468 HydrophobicContact CD1-CG2 4.05Å; L464-V468 WeakPolarHBondContact O-CG2 3.22Å; L464-V468 PolarHBondContact O-N 2.93Å
465	E	98.9	Very high	98.5	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-56.6	-51.5	174.9	-71.1	159.5	-170.8	0	0	111.3	F90 L183 I411 I436 A461 R462 T467 V468 I469	F90-E465 HydrophobicContact CE1-CB 4.31Å; F90-E465 WeakPolarHBondContact CE1-OE2 3.39Å; F90-E465 HydrophobicContact CZ-CB 4.25Å; L183-E465 HydrophobicContact CD1-CG 4.06Å; L183-E465 HydrophobicContact CD2-CG 4.42Å; I411-E465 HydrophobicContact CD1-CB 4.44Å; I411-E465 HydrophobicContact CD1-CG 4.3Å; I411-E465 HydrophobicContact CG2-CG 4.27Å; I436-E465 HydrophobicContact CD1-CG 3.72Å; A461-E465 WeakPolarHBondContact O-CG 3.46Å; A461-E465 PolarHBondContact O-N 3.27Å; R462-E465 PolarHBondContact O-N 2.92Å; E465-T467 VanDerWaalsContact C-N 3.28Å; E465-T467 PolarHBondContact O-N 3.49Å; E465-V468 PolarHBondContact O-N 3.45Å; E465-I469 HydrophobicContact CB-CD1 4.49Å; E465-I469 VanDerWaalsContact O-CB 3.29Å; E465-I469 WeakPolarHBondContact O-CB 3.13Å; E465-I469 WeakPolarHBondContact O-CD1 3.39Å; E465-I469 WeakPolarHBondContact O-CG1 3.14Å; E465-I469 PolarHBondContact O-N 3.01Å
466	A	98.8	Very high	98.4	Very high	15 Å²	15	45.4 Å²	45.4	12%	0.124	25%	0.248	C	C	.	.	H	α-helix	trans	-56.1	-43	177.9	0	0	0	0	0	112.3	L94 Q98 R462 G470	L94-A466 HydrophobicContact CD1-CB 3.4Å; Q98-A466 PolarHBondContact NE2-O 2.9Å; R462-A466 WeakPolarHBondContact O-CB 3.33Å; R462-A466 PolarHBondContact O-N 3.29Å; A466-G470 PolarHBondContact O-N 3.26Å
467	T	98.8	Very high	98.1	Very high	82 Å²	82	43.9 Å²	43.9	50%	0.503	23%	0.229	S	C	.	.	H	α-helix	trans	-63.9	-52.9	178.9	-60.2	0	0	0	0	111.1	K463 L464 E465 I469 G470 E471	K463-T467 WeakPolarHBondContact O-CB 3.3Å; K463-T467 PolarHBondContact O-N 2.92Å; K463-T467 PolarHBondContact O-OG1 3.27Å; L464-T467 PolarHBondContact O-N 3.48Å; E465-T467 VanDerWaalsContact C-N 3.28Å; E465-T467 PolarHBondContact O-N 3.49Å; T467-I469 PolarHBondContact O-N 3.23Å; T467-G470 PolarHBondContact O-N 2.96Å; T467-E471 WeakPolarHBondContact O-CG 3.4Å; T467-E471 PolarHBondContact O-N 3.32Å
468	V	98.8	Very high	97.7	Very high	18 Å²	18	51.3 Å²	51.3	11%	0.109	25%	0.252	C	S	.	.	H	α-helix	trans	-63.5	-42	-178.2	171.2	0	0	0	0	111.3	I411 I434 L464 E465 G470 E471 W472	I411-V468 HydrophobicContact CD1-CB 4.09Å; I411-V468 HydrophobicContact CD1-CG1 3.87Å; I411-V468 HydrophobicContact CG1-CG1 4.29Å; I434-V468 HydrophobicContact CD1-CG1 4.24Å; I434-V468 HydrophobicContact CD1-CG2 4.01Å; L464-V468 HydrophobicContact CD1-CG2 4.05Å; L464-V468 WeakPolarHBondContact O-CG2 3.22Å; L464-V468 PolarHBondContact O-N 2.93Å; E465-V468 PolarHBondContact O-N 3.45Å; V468-G470 VanDerWaalsContact C-N 3.34Å; V468-G470 PolarHBondContact O-N 3.41Å; V468-E471 WeakPolarHBondContact O-CB 3.46Å; V468-E471 PolarHBondContact O-N 3Å; V468-W472 HydrophobicContact CG1-CD2 4.06Å; V468-W472 HydrophobicContact CG1-CH2 3.92Å; V468-W472 HydrophobicContact CG1-CZ2 3.32Å; V468-W472 HydrophobicContact CG1-CZ3 4.47Å; V468-W472 PolarHBondContact O-N 3.01Å
469	I	98.9	Very high	96.9	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-61.3	-44.4	175.1	-71.2	166	0	0	0	110.7	F72 L94 I157 F159 L183 I411 E465 T467 E471 W472 V473	F72-I469 HydrophobicContact CE1-CG2 4.14Å; F72-I469 HydrophobicContact CZ-CG2 4.16Å; L94-I469 HydrophobicContact CD2-CD1 3.9Å; L94-I469 HydrophobicContact CD2-CG2 4.27Å; I157-I469 HydrophobicContact CG1-CG2 4.06Å; I157-I469 HydrophobicContact CG2-CG1 4.37Å; I157-I469 HydrophobicContact CG2-CG2 4.14Å; F159-I469 HydrophobicContact CE1-CD1 3.72Å; F159-I469 HydrophobicContact CZ-CD1 3.92Å; L183-I469 HydrophobicContact CB-CD1 4.44Å; I411-I469 HydrophobicContact CD1-CG1 4.32Å; E465-I469 HydrophobicContact CB-CD1 4.49Å; E465-I469 VanDerWaalsContact O-CB 3.29Å; E465-I469 WeakPolarHBondContact O-CB 3.13Å; E465-I469 WeakPolarHBondContact O-CD1 3.39Å; E465-I469 WeakPolarHBondContact O-CG1 3.14Å; E465-I469 PolarHBondContact O-N 3.01Å; T467-I469 PolarHBondContact O-N 3.23Å; I469-E471 VanDerWaalsContact C-N 3.27Å; I469-E471 PolarHBondContact O-N 2.9Å; I469-W472 HydrophobicContact CG1-CE3 4.1Å; I469-W472 HydrophobicContact CG1-CZ3 4.06Å; I469-W472 PolarHBondContact O-N 3.5Å; I469-V473 WeakPolarHBondContact O-CG2 3.2Å; I469-V473 PolarHBondContact O-N 3.47Å
470	G	98.6	Very high	95.6	Very high	12 Å²	12	60.6 Å²	60.6	12%	0.124	29%	0.292	C	S	.	.	H	α-helix	trans	-60.9	-35.1	176	0	0	0	0	0	112.9	A466 T467 V468 K474	A466-G470 PolarHBondContact O-N 3.26Å; T467-G470 PolarHBondContact O-N 2.96Å; V468-G470 VanDerWaalsContact C-N 3.34Å; V468-G470 PolarHBondContact O-N 3.41Å; G470-K474 WeakPolarHBondContact O-CB 3.23Å; G470-K474 WeakPolarHBondContact O-CD 3.47Å; G470-K474 VanDerWaalsContact O-CG 3.25Å; G470-K474 WeakPolarHBondContact O-CG 3.37Å; G470-K474 PolarHBondContact O-N 2.97Å; G470-K474 VanDerWaalsContact O-N 3.08Å
471	E	98.4	Very high	93.8	Very high	113 Å²	113	62.5 Å²	62.5	53%	0.528	30%	0.301	S	S	.	.	H	α-helix	trans	-67.3	-43.1	173.4	-70.7	177.6	171.6	0	0	112.4	T467 V468 I469 V473 K474 A475	T467-E471 WeakPolarHBondContact O-CG 3.4Å; T467-E471 PolarHBondContact O-N 3.32Å; V468-E471 WeakPolarHBondContact O-CB 3.46Å; V468-E471 PolarHBondContact O-N 3Å; I469-E471 VanDerWaalsContact C-N 3.27Å; I469-E471 PolarHBondContact O-N 2.9Å; E471-V473 PolarHBondContact O-N 3.24Å; E471-K474 PolarHBondContact O-N 3.39Å; E471-A475 WeakPolarHBondContact O-CB 3.43Å; E471-A475 PolarHBondContact O-N 3.42Å
472	W	98.6	Very high	91.4	Very high	17 Å²	17	67.3 Å²	67.3	6%	0.064	33%	0.332	C	S	.	.	H	α-helix	trans	-62.1	-42.9	176	-62.7	-22.3	0	0	0	112.3	I157 N409 I411 V468 I469 K474 A475 A476	I157-W472 HydrophobicContact CD1-CB 4.2Å; I157-W472 HydrophobicContact CD1-CE3 4.3Å; N409-W472 HydrophobicContact CB-CD2 3.83Å; N409-W472 HydrophobicContact CB-CE3 4.44Å; N409-W472 HydrophobicContact CB-CG 4.12Å; N409-W472 HydrophobicContact CB-CH2 4.44Å; N409-W472 HydrophobicContact CB-CZ2 3.86Å; N409-W472 WeakPolarHBondContact O-CH2 3.43Å; I411-W472 HydrophobicContact CB-CH2 4.4Å; I411-W472 HydrophobicContact CD1-CH2 3.59Å; I411-W472 HydrophobicContact CD1-CZ2 4.31Å; I411-W472 HydrophobicContact CD1-CZ3 4Å; I411-W472 HydrophobicContact CG1-CH2 3.64Å; I411-W472 HydrophobicContact CG1-CZ2 4.22Å; I411-W472 HydrophobicContact CG1-CZ3 4.48Å; V468-W472 HydrophobicContact CG1-CD2 4.06Å; V468-W472 HydrophobicContact CG1-CH2 3.92Å; V468-W472 HydrophobicContact CG1-CZ2 3.32Å; V468-W472 HydrophobicContact CG1-CZ3 4.47Å; V468-W472 PolarHBondContact O-N 3.01Å; I469-W472 HydrophobicContact CG1-CE3 4.1Å; I469-W472 HydrophobicContact CG1-CZ3 4.06Å; I469-W472 PolarHBondContact O-N 3.5Å; W472-K474 VanDerWaalsContact C-N 3.35Å; W472-K474 PolarHBondContact O-N 3.38Å; W472-A475 PolarHBondContact O-N 3.01Å; W472-A476 WeakPolarHBondContact O-CB 3.47Å; W472-A476 PolarHBondContact O-N 2.76Å
473	V	98.2	Very high	88.9	Confident	7 Å²	7	71.2 Å²	71.2	4%	0.042	37%	0.366	C	S	.	.	H	α-helix	trans	-60.9	-45.1	175.1	172.8	0	0	0	0	110.6	P70 P155 I157 I469 E471 R477	P70-V473 HydrophobicContact CB-CG1 3.92Å; P70-V473 HydrophobicContact CB-CG2 3.85Å; P70-V473 HydrophobicContact CG-CG1 4.06Å; P70-V473 HydrophobicContact CG-CG2 4.03Å; P155-V473 HydrophobicContact CG-CG1 4.32Å; I157-V473 HydrophobicContact CD1-CG2 4.08Å; I157-V473 HydrophobicContact CG1-CG2 3.86Å; I469-V473 WeakPolarHBondContact O-CG2 3.2Å; I469-V473 PolarHBondContact O-N 3.47Å; E471-V473 PolarHBondContact O-N 3.24Å; V473-R477 WeakPolarHBondContact O-CG 3.46Å; V473-R477 PolarHBondContact O-N 2.88Å
474	K	97.4	Very high	86.5	Confident	132 Å²	132	74.1 Å²	74.1	57%	0.574	39%	0.386	S	S	*	.	H	α-helix	trans	-63.1	-43	176.9	-75	168.5	-175.5	169.6	0	112.4	G470 E471 W472 R478	G470-K474 WeakPolarHBondContact O-CB 3.23Å; G470-K474 WeakPolarHBondContact O-CD 3.47Å; G470-K474 VanDerWaalsContact O-CG 3.25Å; G470-K474 WeakPolarHBondContact O-CG 3.37Å; G470-K474 PolarHBondContact O-N 2.97Å; G470-K474 VanDerWaalsContact O-N 3.08Å; E471-K474 PolarHBondContact O-N 3.39Å; W472-K474 VanDerWaalsContact C-N 3.35Å; W472-K474 PolarHBondContact O-N 3.38Å; K474-R478 WeakPolarHBondContact O-CG 3.45Å; K474-R478 PolarHBondContact O-N 3.32Å
475	A	96.9	Very high	83.9	Confident	40 Å²	40	81.6 Å²	81.6	33%	0.331	41%	0.408	S	S	.	.	H	α-helix	trans	-64.2	-48.1	179.3	0	0	0	0	0	111.3	E471 W472 R477 R478 E479	E471-A475 WeakPolarHBondContact O-CB 3.43Å; E471-A475 PolarHBondContact O-N 3.42Å; W472-A475 PolarHBondContact O-N 3.01Å; A475-R477 VanDerWaalsContact C-N 3.31Å; A475-R477 PolarHBondContact O-N 2.91Å; A475-R478 WeakPolarHBondContact O-CB 3.47Å; A475-R478 PolarHBondContact O-N 2.76Å; A475-E479 PolarHBondContact O-N 2.87Å
476	A	96.1	Very high	81.2	Confident	14 Å²	14	85.1 Å²	85.1	12%	0.116	45%	0.445	C	S	.	.	H	α-helix	trans	-58.5	-40.4	178.9	0	0	0	0	0	112.6	P155 A180 W472 R478 E479 Q480	P155-A476 HydrophobicContact CB-CB 3.82Å; P155-A476 HydrophobicContact CG-CB 3.85Å; A180-A476 HydrophobicContact CB-CB 3.81Å; W472-A476 WeakPolarHBondContact O-CB 3.47Å; W472-A476 PolarHBondContact O-N 2.76Å; A476-R478 PolarHBondContact O-N 3.32Å; A476-E479 PolarHBondContact O-N 3.06Å; A476-Q480 WeakPolarHBondContact O-CG 3.39Å; A476-Q480 PolarHBondContact O-N 3.05Å
477	R	92.2	Very high	78.5	Confident	81 Å²	81	89.4 Å²	89.4	31%	0.306	48%	0.481	S	S	.	.	H	α-helix	trans	-63.7	-39.5	174.6	-70.2	-173.1	-165.8	163.4	12.5	112.6	E68 P155 V473 A475 Q480 Q481	E68-R477 PolarHBondContact O-NE 2.65Å; E68-R477 PolarHBondContact O-NH2 2.84Å; P155-R477 HydrophobicContact CG-CG 3.8Å; V473-R477 WeakPolarHBondContact O-CG 3.46Å; V473-R477 PolarHBondContact O-N 2.88Å; A475-R477 VanDerWaalsContact C-N 3.31Å; A475-R477 PolarHBondContact O-N 2.91Å; R477-Q480 PolarHBondContact O-N 3.13Å; R477-Q481 WeakPolarHBondContact O-CG 3.43Å; R477-Q481 PolarHBondContact O-N 3.35Å
478	R	89.7	Confident	75.9	Confident	191 Å²	191	91 Å²	91	72%	0.721	50%	0.495	S	S	*	.	H	α-helix	trans	-67.2	-40.1	179.4	-72.2	175.1	179.8	-178.5	0.7	111.7	K474 A475 A476 Q480 Q481	K474-R478 WeakPolarHBondContact O-CG 3.45Å; K474-R478 PolarHBondContact O-N 3.32Å; A475-R478 WeakPolarHBondContact O-CB 3.47Å; A475-R478 PolarHBondContact O-N 2.76Å; A476-R478 PolarHBondContact O-N 3.32Å; R478-Q480 VanDerWaalsContact C-N 3.26Å; R478-Q480 PolarHBondContact O-N 3.36Å; R478-Q481 PolarHBondContact O-N 3.22Å
479	E	81.4	Confident	73.4	Confident	152 Å²	152	93.2 Å²	93.2	71%	0.71	52%	0.522	S	S	*	.	H	α-helix	trans	-67.5	-26.2	177.7	-70.7	176.5	-178.1	0	0	112.9	A475 A476 P482	A475-E479 PolarHBondContact O-N 2.87Å; A476-E479 PolarHBondContact O-N 3.06Å; E479-P482 WeakPolarHBondContact O-CD 3.32Å; E479-P482 WeakPolarHBondContact O-CG 3.28Å
480	Q	71	Confident	70.7	Confident	94 Å²	94	101.1 Å²	101.1	44%	0.439	56%	0.563	S	S	.	*	H	α-helix	trans	-83.4	-15.6	175.1	-70.4	171.2	-9.9	0	0	113.7	D153 A476 R477 R478 P482	D153-Q480 PolarHBondContact O-OE1 3.21Å; A476-Q480 WeakPolarHBondContact O-CG 3.39Å; A476-Q480 PolarHBondContact O-N 3.05Å; R477-Q480 PolarHBondContact O-N 3.13Å; R478-Q480 VanDerWaalsContact C-N 3.26Å; R478-Q480 PolarHBondContact O-N 3.36Å; Q480-P482 WeakPolarHBondContact O-CD 3.38Å
481	Q	61.9	Low	67.8	Low	137 Å²	137	106.3 Å²	106.3	64%	0.64	60%	0.597	S	S	*	*			trans	-82	-0	179.9	-79.5	-179.9	-0.6	0	0	119.1	R477 R478 A483	R477-Q481 WeakPolarHBondContact O-CG 3.43Å; R477-Q481 PolarHBondContact O-N 3.35Å; R478-Q481 PolarHBondContact O-N 3.22Å; Q481-A483 VanDerWaalsContact C-N 3.31Å; Q481-A483 PolarHBondContact O-N 3.47Å; Q481-A483 VanDerWaalsContact O-N 3.16Å
482	P	48.8	Very low	65	Low	105 Å²	105	112.1 Å²	112.1	68%	0.682	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.8	5.5	-171.8	23	-22.7	0	0	0	117.1	E479 Q480	E479-P482 WeakPolarHBondContact O-CD 3.32Å; E479-P482 WeakPolarHBondContact O-CG 3.28Å; Q480-P482 WeakPolarHBondContact O-CD 3.38Å
483	A	46.6	Very low	63.4	Low	93 Å²	93	116.9 Å²	116.9	77%	0.769	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.8	-11.3	179.9	0	0	0	0	0	116	Q481	Q481-A483 VanDerWaalsContact C-N 3.31Å; Q481-A483 PolarHBondContact O-N 3.47Å; Q481-A483 VanDerWaalsContact O-N 3.16Å
484	L	47	Very low	61.5	Low	170 Å²	170	122.7 Å²	122.7	89%	0.89	69%	0.692	S	S	*	*	S	Bend	trans	-102.6	2.2	-171.2	-80.7	159.1	0	0	0	115.4
485	R	44.8	Very low	59.5	Low	240 Å²	240	122.2 Å²	122.2	91%	0.906	70%	0.698	S	S	*	*	S	Bend	trans	-113.4	7.6	-179.7	-71	-171.5	178.2	-166.4	0.2	115.4
486	G	43	Very low	57.3	Low	75 Å²	75	127 Å²	127	77%	0.773	72%	0.72	S	S	*	*	S	Bend	trans	-102.4	-5.4	-177.3	0	0	0	0	0	116.9
487	A	40.9	Very low	54.9	Low	105 Å²	105	134.1 Å²	134.1	87%	0.868	76%	0.758	S	S	*	*	S	Bend	trans	-114.7	28.9	-170.1	0	0	0	0	0	114.8
488	S	45.1	Very low	52.4	Low	115 Å²	115	137.6 Å²	137.6	80%	0.804	79%	0.788	S	S	*	*	S	Bend	trans	-132.6	53.2	174.6	65.8	0	0	0	0	112.1
489	G	46.8	Very low	49.8	Very low	65 Å²	65	133.8 Å²	133.8	67%	0.67	79%	0.793	S	S	*	*			trans	-171.9	81.7	172.3	0	0	0	0	0	111.8
490	L	41.3	Very low	47.3	Very low	165 Å²	165	132.4 Å²	132.4	86%	0.864	80%	0.799	S	S	*	*			trans	174.5	87.6	146.1	-93.8	151.8	0	0	0	109
491	S	37.8	Very low	45.4	Very low	121 Å²	121	135.6 Å²	135.6	85%	0.846	83%	0.829	S	S	*	*			trans	-128.1	97	152.7	49.5	0	0	0	0	105.8
492	L	40.2	Very low	43.8	Very low	236 Å²	236	135.5 Å²	135.5	100%	1.236	85%	0.846	S	S	*	*			trans	-89.8	0	158.1	-92.4	166	0	0	0	107.9

Retrieved 492 of 492 residues in 160.5 ms (Link to these results)

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