A0A087YG45_POEFO Loading...

Hyaluronidase

AlphaFold DB , UniProt , Accession A0A087YG45, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 441 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	44	Very low	39.5	Very low	252 Å²	252	145.2 Å²	145.2	100%	1.241	83%	0.827	S	S	*	*				0	99.9	0	-83.2	179.6	-102.6	0	0	108.4
2	A	33.2	Very low	39.4	Very low	100 Å²	100	142.8 Å²	142.8	83%	0.826	82%	0.824	S	S	*	*			trans	-164.9	101.6	165.5	0	0	0	0	0	107.3
3	S	34.1	Very low	39	Very low	110 Å²	110	144.6 Å²	144.6	77%	0.769	82%	0.824	S	S	*	*			trans	-88.1	132	169.6	-67	0	0	0	0	108.7
4	P	45.7	Very low	38.9	Very low	113 Å²	113	145 Å²	145	73%	0.734	82%	0.82	S	S	*	*			trans	-87.4	118.9	165.3	28.6	-18.8	0	0	0	109	L6	P4-L6 PolarHBondContact O-N 3.19Å
5	F	38.6	Very low	38.6	Very low	204 Å²	204	145 Å²	145	90%	0.895	82%	0.815	S	S	*	*			trans	-63.3	111.8	169	-89.3	-95.6	0	0	0	109.7	S7	F5-S7 PolarHBondContact O-N 3.44Å
6	L	37.9	Very low	38.4	Very low	155 Å²	155	140.3 Å²	140.3	81%	0.812	80%	0.795	S	S	*	*			trans	-72.9	108.5	160.7	-97.6	84.8	0	0	0	108.4	P4 C8	P4-L6 PolarHBondContact O-N 3.19Å; L6-C8 PolarHBondContact O-N 3.3Å
7	S	41.1	Very low	38.9	Very low	102 Å²	102	139.6 Å²	139.6	71%	0.713	79%	0.793	S	S	*	*			trans	-81.1	102.4	166.5	-172.6	0	0	0	0	108.9	F5 L9	F5-S7 PolarHBondContact O-N 3.44Å; S7-L9 PolarHBondContact O-N 3.01Å; S7-L9 VanDerWaalsContact O-N 3.16Å
8	C	38.1	Very low	39.7	Very low	103 Å²	103	142 Å²	142	70%	0.696	79%	0.794	S	S	*	*			trans	-73.5	96.1	166.3	-78.8	0	0	0	0	109.1	L6 N10	L6-C8 PolarHBondContact O-N 3.3Å; C8-N10 PolarHBondContact O-N 3.48Å
9	L	42.2	Very low	41.5	Very low	150 Å²	150	139.4 Å²	139.4	79%	0.785	79%	0.792	S	S	*	*			trans	-68.1	99.1	162	-92.3	117.7	0	0	0	108.7	S7 L11	S7-L9 PolarHBondContact O-N 3.01Å; S7-L9 VanDerWaalsContact O-N 3.16Å; L9-L11 VanDerWaalsContact C-N 3.34Å; L9-L11 PolarHBondContact O-N 3.01Å
10	N	39.5	Very low	43.9	Very low	154 Å²	154	136 Å²	136	82%	0.824	77%	0.771	S	S	*	*			trans	-63.4	96.4	163.1	-82.6	-56.5	0	0	0	108.5	C8 C12	C8-N10 PolarHBondContact O-N 3.48Å; N10-C12 VanDerWaalsContact C-N 3.29Å; N10-C12 PolarHBondContact O-N 3.46Å
11	L	40.7	Very low	46.3	Very low	154 Å²	154	132.4 Å²	132.4	81%	0.806	75%	0.754	S	S	*	*			trans	-69.5	91.1	169.8	-155.5	83.2	0	0	0	107.5	L9 M13	L9-L11 VanDerWaalsContact C-N 3.34Å; L9-L11 PolarHBondContact O-N 3.01Å; L11-M13 PolarHBondContact O-N 3.38Å
12	C	38.2	Very low	48.7	Very low	117 Å²	117	123 Å²	123	79%	0.791	71%	0.711	S	S	*	*			trans	-62.6	100.5	172.1	-139.5	0	0	0	0	107.3	N10 I14	N10-C12 VanDerWaalsContact C-N 3.29Å; N10-C12 PolarHBondContact O-N 3.46Å; C12-I14 VanDerWaalsContact C-N 3.28Å; C12-I14 PolarHBondContact O-N 3.15Å
13	M	34.2	Very low	51.7	Low	166 Å²	166	118.4 Å²	118.4	82%	0.818	67%	0.673	S	S	*	*			trans	-62.4	96.2	167.3	-85.1	-143.8	-102.2	0	0	107.4	L11 I15	L11-M13 PolarHBondContact O-N 3.38Å; M13-I15 PolarHBondContact O-N 3.18Å
14	I	37.3	Very low	54.7	Low	150 Å²	150	114.7 Å²	114.7	77%	0.769	64%	0.643	S	S	*	*			trans	-63.3	97.1	163.1	-62.6	171.5	0	0	0	104.9	C12 S16	C12-I14 VanDerWaalsContact C-N 3.28Å; C12-I14 PolarHBondContact O-N 3.15Å; I14-S16 PolarHBondContact O-N 3.17Å
15	I	34.8	Very low	57	Low	145 Å²	145	111.9 Å²	111.9	74%	0.744	63%	0.625	S	S	*	*			trans	-61.2	95	162.2	-61.3	172.4	0	0	0	104.2	M13 V17	M13-I15 PolarHBondContact O-N 3.18Å; I15-V17 PolarHBondContact O-N 3.4Å
16	S	35.4	Very low	59.8	Low	70 Å²	70	103.6 Å²	103.6	49%	0.49	59%	0.592	S	S	.	*			trans	-64.5	93.4	171.4	63.1	0	0	0	0	106.5	I14 F18	I14-S16 PolarHBondContact O-N 3.17Å; S16-F18 PolarHBondContact O-N 3.44Å
17	V	47.1	Very low	62.4	Low	128 Å²	128	97.1 Å²	97.1	78%	0.776	56%	0.558	S	S	*	*			trans	-60.6	98.4	161	-178.3	0	0	0	0	104	I15 A19	I15-V17 PolarHBondContact O-N 3.4Å; V17-A19 PolarHBondContact O-N 3.16Å
18	F	53.2	Low	65	Low	183 Å²	183	93.9 Å²	93.9	80%	0.803	53%	0.534	S	S	*	.			trans	-54.4	110.5	179.3	-76.4	-80.5	0	0	0	107.5	S16 L20	S16-F18 PolarHBondContact O-N 3.44Å; F18-L20 PolarHBondContact O-N 3.33Å
19	A	73.8	Confident	67.7	Low	92 Å²	92	98.8 Å²	98.8	76%	0.76	54%	0.538	S	S	*	.	P	Polyproline II helix	trans	-56.5	133.8	176	0	0	0	0	0	108.2	V17	V17-A19 PolarHBondContact O-N 3.16Å
20	L	89.8	Confident	70.1	Confident	72 Å²	72	96.8 Å²	96.8	38%	0.377	53%	0.528	S	S	.	.	P	Polyproline II helix	trans	-56.7	141.1	174.8	-68.2	170.1	0	0	0	108.7	F18 V372 T417 Q419	F18-L20 PolarHBondContact O-N 3.33Å; L20-V372 HydrophobicContact CD1-CB 4.18Å; L20-V372 HydrophobicContact CD1-CG1 4.33Å; L20-V372 HydrophobicContact CD1-CG2 4.47Å; L20-T417 HydrophobicContact CD1-CG2 3.94Å; L20-Q419 HydrophobicContact CB-CB 4.31Å; L20-Q419 HydrophobicContact CB-CG 4.1Å; L20-Q419 HydrophobicContact CD1-CB 4.03Å
21	P	93	Very high	72.9	Confident	61 Å²	61	90.7 Å²	90.7	40%	0.396	49%	0.494	S	S	.	.	P	Polyproline II helix	trans	-58.8	138	177.3	26	-34.1	0	0	0	109.1	A274 T281 Q419	P21-A274 HydrophobicContact CG-CB 4.47Å; P21-T281 HydrophobicContact CB-CG2 4.03Å; P21-T281 HydrophobicContact CG-CG2 3.86Å; P21-Q419 WeakPolarHBondContact O-CG 3.12Å; P21-Q419 PolarHBondContact O-NE2 2.84Å
22	P	95.9	Very high	75.6	Confident	55 Å²	55	83.6 Å²	83.6	36%	0.357	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-53.7	153.4	174.5	-24.8	33.8	0	0	0	111.2	S280 T281 C420	P22-S280 CarbonylContact O-C 3.55Å; P22-S280 WeakPolarHBondContact O-CA 3.4Å; P22-T281 PolarHBondContact O-N 3.33Å; P22-T281 PolarHBondContact O-OG1 2.69Å; P22-C420 CarbonylContact C-O 3.49Å; P22-C420 VanDerWaalsContact CA-O 3.26Å; P22-C420 WeakPolarHBondContact CA-O 3.49Å
23	T	96.2	Very high	78.5	Confident	2 Å²	2	78.2 Å²	78.2	1%	0.012	42%	0.421	C	S	.	.	B	Isolated β-bridge	trans	-124.1	157.9	178.2	-171.9	0	0	0	0	110	T281 R370 Q419 C420 Y421 A422	T23-T281 WeakPolarHBondContact CB-OG1 3.35Å; T23-T281 PolarHBondContact OG1-O 2.78Å; T23-T281 PolarHBondContact OG1-OG1 2.91Å; T23-R370 PolarHBondContact OG1-NH2 3.1Å; T23-Q419 HydrophobicContact CG2-CG 3.97Å; T23-C420 PolarHBondContact N-O 3.29Å; T23-Y421 HydrophobicContact CG2-CD1 4.01Å; T23-Y421 HydrophobicContact CG2-CE1 4.33Å; T23-Y421 CarbonylContact O-C 3.58Å; T23-Y421 VanDerWaalsContact O-CA 3.23Å; T23-Y421 WeakPolarHBondContact O-CA 3.01Å; T23-A422 PolarHBondContact O-N 3.49Å
24	E	95.2	Very high	81.6	Confident	32 Å²	32	70.4 Å²	70.4	15%	0.15	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-55.8	146.8	175.7	-71.1	-168	-169.7	0	0	112.3	R198 T281 R370 Y421	E24-R198 IonicContact OE2-CZ 3.49Å; E24-R198 VanDerWaalsContact OE2-CZ 3.27Å; E24-R198 IonicContact OE2-NE 3.87Å; E24-R198 PolarHBondContact OE2-NE 2.9Å; E24-R198 IonicContact OE2-NH2 3.48Å; E24-R198 PolarHBondContact OE2-NH2 3.14Å; E24-T281 PolarHBondContact N-O 3.03Å; E24-T281 VanDerWaalsContact N-O 3.11Å; E24-R370 PolarHBondContact O-NH2 3.2Å; E24-Y421 WeakPolarHBondContact O-CD1 3.35Å
25	P	95.8	Very high	84.5	Confident	54 Å²	54	63.3 Å²	63.3	35%	0.351	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-53.9	156.9	170.6	-24.3	33.5	0	0	0	112.7	L27	P25-L27 PolarHBondContact O-N 3.05Å
26	P	95.9	Very high	87.5	Confident	31 Å²	31	56.4 Å²	56.4	20%	0.201	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-54.3	137.9	177.3	-29.1	39.4	0	0	0	113.1	V28 H31 Y421	P26-V28 VanDerWaalsContact C-N 3.31Å; P26-V28 WeakPolarHBondContact CB-O 3.31Å; P26-V28 PolarHBondContact O-N 3.38Å; P26-H31 WeakPolarHBondContact CB-O 3.49Å; P26-Y421 HydrophobicContact CG-CE1 3.78Å; P26-Y421 HydrophobicContact CG-CE2 3.82Å; P26-Y421 WeakPolarHBondContact CG-OH 2.89Å
27	L	94	Very high	90.6	Very high	18 Å²	18	53.1 Å²	53.1	9%	0.094	29%	0.287	C	S	.	.	S	Bend	trans	-65.5	-36.7	176.5	-177	72	0	0	0	112.1	P25 F69 P123 L125 R198 Y285	P25-L27 PolarHBondContact O-N 3.05Å; L27-F69 HydrophobicContact CD2-CE1 3.81Å; L27-F69 HydrophobicContact CD2-CZ 3.47Å; L27-F69 VanDerWaalsContact CD2-CZ 3.47Å; L27-F69 HydrophobicContact CG-CZ 3.98Å; L27-P123 HydrophobicContact CD1-CB 3.49Å; L27-P123 VanDerWaalsContact CD1-CB 3.49Å; L27-P123 HydrophobicContact CG-CB 4.21Å; L27-L125 HydrophobicContact CD2-CD2 3.61Å; L27-L125 HydrophobicContact CD2-CG 3.95Å; L27-R198 HydrophobicContact CD1-CG 4.07Å; L27-Y285 WeakPolarHBondContact CB-OH 3.21Å; L27-Y285 HydrophobicContact CD2-CE1 4.48Å
28	V	95.3	Very high	93	Very high	35 Å²	35	47 Å²	47	21%	0.212	25%	0.25	C	S	.	.	S	Bend	trans	-106.6	123.5	169.2	-178	0	0	0	0	106.7	P26 D30 H31 V34 Q57 F69	P26-V28 VanDerWaalsContact C-N 3.31Å; P26-V28 WeakPolarHBondContact CB-O 3.31Å; P26-V28 PolarHBondContact O-N 3.38Å; V28-D30 PolarHBondContact O-N 3.44Å; V28-H31 HydrophobicContact CB-CB 4.13Å; V28-H31 HydrophobicContact CG1-CB 4.35Å; V28-H31 WeakPolarHBondContact O-CB 3.44Å; V28-H31 PolarHBondContact O-N 3.28Å; V28-V34 HydrophobicContact CB-CG1 3.93Å; V28-V34 HydrophobicContact CG2-CG1 3.96Å; V28-Q57 HydrophobicContact CG1-CG 4.43Å; V28-Q57 HydrophobicContact CG2-CB 4.2Å; V28-F69 HydrophobicContact CG2-CE2 4.47Å; V28-F69 HydrophobicContact CG2-CZ 4.16Å
29	R	93.6	Very high	95.1	Very high	205 Å²	205	38.3 Å²	38.3	77%	0.774	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.4	135.7	-176.8	-171.9	-174.7	171.6	159.6	2.5	110.5	H31	R29-H31 PolarHBondContact O-N 3Å; R29-H31 VanDerWaalsContact O-N 3.14Å; R29-H31 PolarHBondContact O-ND1 3.47Å
30	D	94.1	Very high	96.1	Very high	109 Å²	109	34.7 Å²	34.7	58%	0.583	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.4	9.7	179.5	-50	-40.8	0	0	0	115.9	V28 P32 M358	V28-D30 PolarHBondContact O-N 3.44Å; D30-P32 VanDerWaalsContact O-CD 3.26Å; D30-P32 WeakPolarHBondContact O-CD 3.26Å; D30-M358 WeakPolarHBondContact O-CG 3.41Å
31	H	97.6	Very high	96.4	Very high	26 Å²	26	31.6 Å²	31.6	12%	0.12	17%	0.165	C	C	.	.			trans	-114.2	87.3	177.6	-64.3	69.1	0	0	0	111.7	P26 V28 R29 F33 V34 V441	P26-H31 WeakPolarHBondContact CB-O 3.49Å; V28-H31 HydrophobicContact CB-CB 4.13Å; V28-H31 HydrophobicContact CG1-CB 4.35Å; V28-H31 WeakPolarHBondContact O-CB 3.44Å; V28-H31 PolarHBondContact O-N 3.28Å; R29-H31 PolarHBondContact O-N 3Å; R29-H31 VanDerWaalsContact O-N 3.14Å; R29-H31 PolarHBondContact O-ND1 3.47Å; H31-F33 PolarHBondContact O-N 2.91Å; H31-F33 VanDerWaalsContact O-N 3.12Å; H31-V34 HydrophobicContact CB-CG1 3.58Å; H31-V441 PolarHBondContact NE2-OXT 3.27Å
32	P	98.2	Very high	96.5	Very high	5 Å²	5	31.7 Å²	31.7	3%	0.032	16%	0.162	C	C	.	.	S	Bend	trans	-55.9	-29.8	178.5	-24.4	32.6	0	0	0	114.3	D30 R370 Y421	D30-P32 VanDerWaalsContact O-CD 3.26Å; D30-P32 WeakPolarHBondContact O-CD 3.26Å; P32-R370 HydrophobicContact CB-CB 3.96Å; P32-Y421 WeakPolarHBondContact CA-OH 2.88Å; P32-Y421 VanDerWaalsContact CB-OH 3.28Å; P32-Y421 WeakPolarHBondContact CB-OH 3.14Å; P32-Y421 WeakPolarHBondContact CG-OH 3.33Å
33	F	98.7	Very high	96.5	Very high	4 Å²	4	32.6 Å²	32.6	2%	0.018	16%	0.162	C	C	.	.	S	Bend	trans	-131.9	125.3	177	-176.8	-98.9	0	0	0	108.4	H31 A313 A317 S318 V320 V353 T354 A357	H31-F33 PolarHBondContact O-N 2.91Å; H31-F33 VanDerWaalsContact O-N 3.12Å; F33-A313 HydrophobicContact CD1-CB 4.11Å; F33-A313 HydrophobicContact CD2-CB 3.67Å; F33-A313 HydrophobicContact CE1-CB 4.22Å; F33-A313 HydrophobicContact CE2-CB 3.79Å; F33-A313 HydrophobicContact CG-CB 3.84Å; F33-A313 HydrophobicContact CZ-CB 4.06Å; F33-A317 WeakPolarHBondContact CD2-O 3.49Å; F33-A317 HydrophobicContact CE2-CB 4.49Å; F33-S318 WeakPolarHBondContact CA-O 3.48Å; F33-V320 HydrophobicContact CE1-CG1 4.19Å; F33-V320 HydrophobicContact CZ-CB 4.08Å; F33-V320 HydrophobicContact CZ-CG1 3.89Å; F33-V353 HydrophobicContact CD1-CG1 4.33Å; F33-V353 HydrophobicContact CE1-CG1 4.01Å; F33-V353 HydrophobicContact CE1-CG2 4.45Å; F33-T354 WeakPolarHBondContact O-CG2 3.42Å; F33-A357 HydrophobicContact CB-CB 3.86Å
34	V	98.4	Very high	96.6	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.012	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	150	177.1	-63	0	0	0	0	111.8	V28 H31 I36 Q57 Y285 S318 G319 V320	V28-V34 HydrophobicContact CB-CG1 3.93Å; V28-V34 HydrophobicContact CG2-CG1 3.96Å; H31-V34 HydrophobicContact CB-CG1 3.58Å; V34-I36 HydrophobicContact CG2-CD1 4.05Å; V34-I36 HydrophobicContact CG2-CG1 4.28Å; V34-Q57 HydrophobicContact CB-CB 4.36Å; V34-Q57 HydrophobicContact CB-CG 4.32Å; V34-Q57 HydrophobicContact CG1-CB 4.34Å; V34-Q57 HydrophobicContact CG1-CG 4.03Å; V34-Y285 HydrophobicContact CG2-CD1 4.31Å; V34-Y285 HydrophobicContact CG2-CE1 3.76Å; V34-S318 PolarHBondContact N-O 3.3Å; V34-S318 VanDerWaalsContact N-O 3.08Å; V34-G319 CarbonylContact O-C 3.56Å; V34-G319 WeakPolarHBondContact O-CA 3.38Å; V34-V320 PolarHBondContact O-N 2.92Å
35	A	98.6	Very high	96.6	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	127.5	167.5	0	0	0	0	0	110	F56 Q57 V320 V350	A35-F56 HydrophobicContact CB-CD1 3.71Å; A35-F56 HydrophobicContact CB-CE1 4.05Å; A35-F56 CarbonylContact O-C 3.48Å; A35-F56 WeakPolarHBondContact O-CA 3.38Å; A35-Q57 PolarHBondContact O-N 3.08Å; A35-Q57 PolarHBondContact O-OE1 3.49Å; A35-V320 HydrophobicContact CB-CG1 3.81Å; A35-V350 HydrophobicContact CB-CG1 3.41Å; A35-V350 VanDerWaalsContact CB-CG1 3.41Å; A35-V350 HydrophobicContact CB-CG2 4.3Å
36	I	98.8	Very high	96.7	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	121.1	-177.4	-61.3	159.9	0	0	0	108.1	V34 A58 F69 L70 L125 V320 V321 I322	V34-I36 HydrophobicContact CG2-CD1 4.05Å; V34-I36 HydrophobicContact CG2-CG1 4.28Å; I36-A58 HydrophobicContact CG1-CB 4.46Å; I36-A58 HydrophobicContact CG2-CB 4.19Å; I36-F69 HydrophobicContact CD1-CD1 4.31Å; I36-F69 HydrophobicContact CD1-CE1 3.68Å; I36-F69 HydrophobicContact CG1-CE1 4.13Å; I36-F69 HydrophobicContact CG2-CD1 4.47Å; I36-L70 HydrophobicContact CG2-CB 4.22Å; I36-L70 HydrophobicContact CG2-CD1 3.89Å; I36-L125 HydrophobicContact CD1-CD1 3.36Å; I36-L125 HydrophobicContact CD1-CG 4.23Å; I36-V320 PolarHBondContact N-O 3.3Å; I36-V321 HydrophobicContact CB-CG2 4.49Å; I36-V321 CarbonylContact O-C 3.56Å; I36-V321 WeakPolarHBondContact O-CA 3.17Å; I36-I322 PolarHBondContact O-N 3.44Å
37	W	98.7	Very high	96.8	Very high	0 Å²	0	43 Å²	43	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	128.9	173.7	-176.5	-89.2	0	0	0	110.1	A39 T41 F56 A58 V59 T60 P290 I322 Y329 L338 L342 L346	W37-A39 HydrophobicContact CH2-CB 4.41Å; W37-A39 HydrophobicContact CZ2-CB 3.6Å; W37-A39 PolarHBondContact NE1-O 3.41Å; W37-T41 HydrophobicContact CZ2-CG2 3.84Å; W37-F56 HydrophobicContact CB-CB 4.43Å; W37-F56 HydrophobicContact CB-CD1 4.04Å; W37-F56 HydrophobicContact CB-CD2 4.48Å; W37-F56 HydrophobicContact CB-CE1 4.47Å; W37-F56 HydrophobicContact CB-CG 4.06Å; W37-F56 HydrophobicContact CE3-CE1 4.03Å; W37-F56 HydrophobicContact CE3-CE2 4.02Å; W37-F56 AromaticContact CE3-CZ 3.67Å; W37-F56 HydrophobicContact CE3-CZ 3.67Å; W37-F56 HydrophobicContact CZ3-CZ 4.2Å; W37-A58 PolarHBondContact N-O 3.28Å; W37-V59 HydrophobicContact CB-CB 4.47Å; W37-V59 HydrophobicContact CB-CG1 4.26Å; W37-V59 HydrophobicContact CB-CG2 4.34Å; W37-V59 HydrophobicContact CG-CG1 4.23Å; W37-T60 WeakPolarHBondContact O-CA 3.41Å; W37-T60 PolarHBondContact O-N 3.23Å; W37-T60 PolarHBondContact O-OG1 3.44Å; W37-P290 HydrophobicContact CH2-CG 3.8Å; W37-P290 HydrophobicContact CZ3-CG 3.79Å; W37-I322 HydrophobicContact CE3-CB 4.21Å; W37-I322 HydrophobicContact CE3-CG2 3.76Å; W37-I322 HydrophobicContact CZ3-CG2 3.67Å; W37-Y329 HydrophobicContact CH2-CE2 4.38Å; W37-Y329 HydrophobicContact CZ2-CE2 4.18Å; W37-L338 HydrophobicContact CH2-CD1 3.72Å; W37-L338 HydrophobicContact CH2-CD2 4.21Å; W37-L338 HydrophobicContact CZ2-CD1 4.41Å; W37-L338 HydrophobicContact CZ2-CD2 4.05Å; W37-L342 HydrophobicContact CH2-CD2 4.37Å; W37-L342 HydrophobicContact CZ3-CD2 3.94Å; W37-L346 HydrophobicContact CZ3-CD2 4.07Å
38	N	98.6	Very high	97	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	61.8	176.3	-170.7	-121.1	0	0	0	110.9	T60 T61 L70 V321 I322 W323 G324	N38-T60 WeakPolarHBondContact CA-O 3.44Å; N38-T60 PolarHBondContact ND2-OG1 3.38Å; N38-T61 VanDerWaalsContact ND2-C 3.31Å; N38-T61 PolarHBondContact ND2-O 3.15Å; N38-L70 HydrophobicContact CB-CD1 4.31Å; N38-V321 HydrophobicContact CB-CG1 3.8Å; N38-I322 CarbonylContact C-O 3.56Å; N38-I322 PolarHBondContact N-O 2.9Å; N38-W323 WeakPolarHBondContact O-CA 3.48Å; N38-G324 PolarHBondContact O-N 2.02Å
39	A	97.3	Very high	97.2	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	23%	0.231	C	C	.	.	S	Bend	trans	-132.3	149.2	177.9	0	0	0	0	0	111.3	W37 T41 Y329	W37-A39 HydrophobicContact CH2-CB 4.41Å; W37-A39 HydrophobicContact CZ2-CB 3.6Å; W37-A39 PolarHBondContact NE1-O 3.41Å; A39-T41 PolarHBondContact O-N 3.35Å; A39-Y329 HydrophobicContact CB-CD2 4.44Å; A39-Y329 HydrophobicContact CB-CE2 3.97Å
40	P	95.4	Very high	97.3	Very high	16 Å²	16	44.6 Å²	44.6	10%	0.104	23%	0.225	C	C	.	.			trans	-73.9	117.3	179.7	29.6	-30.4	0	0	0	109.6	P62 G324 G325	P40-P62 HydrophobicContact CB-CG 4.48Å; P40-P62 HydrophobicContact CG-CG 4.35Å; P40-G324 WeakPolarHBondContact CD-O 3.48Å; P40-G325 WeakPolarHBondContact CG-O 3.21Å
41	T	95.6	Very high	97.5	Very high	8 Å²	8	40.9 Å²	40.9	5%	0.049	21%	0.205	C	C	.	.			trans	-123.1	10.9	179.1	55.2	0	0	0	0	112.7	W37 A39 Q43 C44 K45 L51 L338	W37-T41 HydrophobicContact CZ2-CG2 3.84Å; A39-T41 PolarHBondContact O-N 3.35Å; T41-Q43 VanDerWaalsContact C-N 3.28Å; T41-Q43 PolarHBondContact O-N 3.21Å; T41-C44 WeakPolarHBondContact O-CB 3Å; T41-C44 PolarHBondContact O-N 2.97Å; T41-K45 WeakPolarHBondContact O-CG 3.44Å; T41-K45 PolarHBondContact O-N 2.96Å; T41-L51 HydrophobicContact CG2-CD1 3.47Å; T41-L51 VanDerWaalsContact CG2-CD1 3.47Å; T41-L338 HydrophobicContact CG2-CD2 4.17Å
42	D	95.1	Very high	97.5	Very high	63 Å²	63	40.6 Å²	40.6	34%	0.337	21%	0.205	S	C	.	.	H	α-helix	trans	-61.5	-37.7	-175.9	-59.2	-38.6	0	0	0	111.8	C44 K45 Q46	D42-C44 VanDerWaalsContact C-N 3.34Å; D42-C44 PolarHBondContact O-N 2.87Å; D42-K45 WeakPolarHBondContact O-CB 3.37Å; D42-K45 PolarHBondContact O-N 3.44Å; D42-K45 IonicContact OD1-NZ 2.69Å; D42-K45 PolarHBondContact OD1-NZ 3.43Å; D42-Q46 WeakPolarHBondContact O-CG 3.33Å; D42-Q46 PolarHBondContact O-N 2.96Å
43	Q	96.3	Very high	97.4	Very high	73 Å²	73	42.1 Å²	42.1	34%	0.341	21%	0.214	S	C	.	.	H	α-helix	trans	-61.5	-41.9	172.9	-173.7	64.2	38.9	0	0	112	T41 K45 Q46 L47	T41-Q43 VanDerWaalsContact C-N 3.28Å; T41-Q43 PolarHBondContact O-N 3.21Å; Q43-K45 VanDerWaalsContact C-N 3.32Å; Q43-K45 PolarHBondContact O-N 3.27Å; Q43-Q46 PolarHBondContact O-N 3.14Å; Q43-L47 HydrophobicContact CG-CD1 4.03Å; Q43-L47 WeakPolarHBondContact O-CB 3.32Å; Q43-L47 VanDerWaalsContact O-CG 3.26Å; Q43-L47 WeakPolarHBondContact O-CG 3.5Å; Q43-L47 PolarHBondContact O-N 3.06Å
44	C	97.8	Very high	97.3	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-67	-36.9	179.2	-51.3	0	0	0	0	111.4	T41 D42 L47 E48 I49 L51 C335	T41-C44 WeakPolarHBondContact O-CB 3Å; T41-C44 PolarHBondContact O-N 2.97Å; D42-C44 VanDerWaalsContact C-N 3.34Å; D42-C44 PolarHBondContact O-N 2.87Å; C44-L47 CarbonylContact O-C 3.2Å; C44-L47 PolarHBondContact O-N 3.43Å; C44-E48 PolarHBondContact O-N 3.08Å; C44-I49 PolarHBondContact O-N 2.98Å; C44-L51 HydrophobicContact CB-CD1 3.93Å; C44-L51 HydrophobicContact CB-CD2 4.45Å; C44-L51 HydrophobicContact CB-CG 4.35Å; C44-C335 WeakPolarHBondContact CA-SG 3.32Å; C44-C335 HydrophobicContact CB-CB 3.69Å; C44-C335 WeakPolarHBondContact CB-SG 3.43Å; C44-C335 PolarHBondContact N-SG 2.59Å; C44-C335 VanDerWaalsContact N-SG 3.44Å; C44-C335 VanDerWaalsContact SG-CA 3.57Å; C44-C335 WeakPolarHBondContact SG-CB 3.2Å; C44-C335 CovalentContact SG-SG 2.05Å; C44-C335 PolarHBondContact SG-SG 2.99Å
45	K	96.1	Very high	97.3	Very high	128 Å²	128	43.2 Å²	43.2	56%	0.557	22%	0.223	S	C	*	.	H	α-helix	trans	-63.4	-44.7	173	-64.9	173.6	-171.4	166.6	0	111.8	T41 D42 Q43 L47 E48	T41-K45 WeakPolarHBondContact O-CG 3.44Å; T41-K45 PolarHBondContact O-N 2.96Å; D42-K45 WeakPolarHBondContact O-CB 3.37Å; D42-K45 PolarHBondContact O-N 3.44Å; D42-K45 IonicContact OD1-NZ 2.69Å; D42-K45 PolarHBondContact OD1-NZ 3.43Å; Q43-K45 VanDerWaalsContact C-N 3.32Å; Q43-K45 PolarHBondContact O-N 3.27Å; K45-L47 PolarHBondContact O-N 3.42Å; K45-E48 PolarHBondContact O-N 3Å
46	Q	97.3	Very high	97.2	Very high	145 Å²	145	43.9 Å²	43.9	68%	0.678	23%	0.226	S	C	*	.	H	α-helix	trans	-62.5	-32.3	176.2	-73.8	175.5	-7.3	0	0	112.8	D42 Q43 E48	D42-Q46 WeakPolarHBondContact O-CG 3.33Å; D42-Q46 PolarHBondContact O-N 2.96Å; Q43-Q46 PolarHBondContact O-N 3.14Å; Q46-E48 PolarHBondContact O-N 2.83Å
47	L	98.1	Very high	97.2	Very high	65 Å²	65	45.7 Å²	45.7	34%	0.34	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	3.6	175.4	-66.7	171.3	0	0	0	113.2	Q43 C44 K45 I49 K332	Q43-L47 HydrophobicContact CG-CD1 4.03Å; Q43-L47 WeakPolarHBondContact O-CB 3.32Å; Q43-L47 VanDerWaalsContact O-CG 3.26Å; Q43-L47 WeakPolarHBondContact O-CG 3.5Å; Q43-L47 PolarHBondContact O-N 3.06Å; C44-L47 CarbonylContact O-C 3.2Å; C44-L47 PolarHBondContact O-N 3.43Å; K45-L47 PolarHBondContact O-N 3.42Å; L47-I49 HydrophobicContact CB-CD1 3.97Å; L47-I49 HydrophobicContact CB-CG1 4.11Å; L47-I49 HydrophobicContact CD1-CD1 4.33Å; L47-I49 PolarHBondContact O-N 3.25Å; L47-I49 VanDerWaalsContact O-N 3.14Å; L47-K332 HydrophobicContact CD1-CB 4.13Å
48	E	98	Very high	97.1	Very high	176 Å²	176	46.2 Å²	46.2	82%	0.822	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.6	28.4	-178.7	-56.9	-177.5	163.7	0	0	113.6	C44 K45 Q46 P50	C44-E48 PolarHBondContact O-N 3.08Å; K45-E48 PolarHBondContact O-N 3Å; Q46-E48 PolarHBondContact O-N 2.83Å; E48-P50 WeakPolarHBondContact O-CD 3.34Å
49	I	98.4	Very high	97.1	Very high	16 Å²	16	49.6 Å²	49.6	8%	0.082	26%	0.26	C	S	.	.			trans	-85.9	117.5	176.6	-65	169.1	0	0	0	108.3	C44 L47 K332 C335	C44-I49 PolarHBondContact O-N 2.98Å; L47-I49 HydrophobicContact CB-CD1 3.97Å; L47-I49 HydrophobicContact CB-CG1 4.11Å; L47-I49 HydrophobicContact CD1-CD1 4.33Å; L47-I49 PolarHBondContact O-N 3.25Å; L47-I49 VanDerWaalsContact O-N 3.14Å; I49-K332 HydrophobicContact CD1-CG 4.2Å; I49-C335 HydrophobicContact CB-CB 4.44Å; I49-C335 HydrophobicContact CD1-CB 3.47Å; I49-C335 VanDerWaalsContact CD1-CB 3.47Å; I49-C335 HydrophobicContact CG2-CB 4.42Å
50	P	96.8	Very high	97.1	Very high	99 Å²	99	50 Å²	50	64%	0.643	26%	0.262	S	S	*	.			trans	-68.5	136.8	-177.8	28.6	-34.5	0	0	0	110.7	E48 S339	E48-P50 WeakPolarHBondContact O-CD 3.34Å; P50-S339 VanDerWaalsContact O-CB 3.26Å; P50-S339 WeakPolarHBondContact O-CB 3.22Å; P50-S339 PolarHBondContact O-OG 3.35Å
51	L	97.8	Very high	97.1	Very high	32 Å²	32	50 Å²	50	17%	0.168	26%	0.262	C	S	.	.			trans	-118.4	115.5	176	-60.6	-177.7	0	0	0	109.6	T41 C44 T53 L338 L342	T41-L51 HydrophobicContact CG2-CD1 3.47Å; T41-L51 VanDerWaalsContact CG2-CD1 3.47Å; C44-L51 HydrophobicContact CB-CD1 3.93Å; C44-L51 HydrophobicContact CB-CD2 4.45Å; C44-L51 HydrophobicContact CB-CG 4.35Å; L51-T53 HydrophobicContact CB-CG2 4.34Å; L51-T53 PolarHBondContact O-N 3.09Å; L51-L338 HydrophobicContact CD1-CD2 4.01Å; L51-L338 HydrophobicContact CD2-CB 4.49Å; L51-L338 HydrophobicContact CD2-CD2 3.93Å; L51-L338 HydrophobicContact CD2-CG 4.01Å; L51-L342 HydrophobicContact CB-CD1 3.81Å; L51-L342 HydrophobicContact CD2-CD1 4.04Å; L51-L342 HydrophobicContact CG-CD1 4.4Å
52	D	96.8	Very high	97.1	Very high	20 Å²	20	49.9 Å²	49.9	11%	0.107	26%	0.261	C	S	.	.			trans	-73.2	89.7	178.3	-166.7	-3.8	0	0	0	111.3	A54 L342 S347 K393 Y398	D52-A54 WeakPolarHBondContact OD1-CB 3.38Å; D52-A54 PolarHBondContact OD1-N 3.5Å; D52-L342 HydrophobicContact CB-CB 4.39Å; D52-S347 PolarHBondContact O-OG 2.91Å; D52-K393 IonicContact OD1-NZ 3.06Å; D52-K393 PolarHBondContact OD1-NZ 3.16Å; D52-K393 IonicContact OD2-NZ 3.76Å; D52-K393 PolarHBondContact OD2-NZ 2.75Å; D52-Y398 PolarHBondContact OD2-OH 2.88Å
53	T	97	Very high	97.1	Very high	37 Å²	37	49.1 Å²	49.1	23%	0.227	26%	0.261	C	S	.	.			trans	-105.7	13.2	179.4	52.7	0	0	0	0	112.9	L51 A55 F56 V59 L342	L51-T53 HydrophobicContact CB-CG2 4.34Å; L51-T53 PolarHBondContact O-N 3.09Å; T53-A55 PolarHBondContact O-N 3.49Å; T53-A55 VanDerWaalsContact O-N 3.12Å; T53-F56 HydrophobicContact CG2-CD2 4.39Å; T53-F56 WeakPolarHBondContact O-CD2 3.36Å; T53-F56 PolarHBondContact O-N 2.89Å; T53-F56 VanDerWaalsContact O-N 3.13Å; T53-V59 HydrophobicContact CG2-CG2 4.4Å; T53-L342 HydrophobicContact CG2-CD1 4.45Å
54	A	96.7	Very high	96.9	Very high	28 Å²	28	48.2 Å²	48.2	23%	0.231	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-17.1	-173.5	0	0	0	0	0	114.7	D52 G396 Y398	D52-A54 WeakPolarHBondContact OD1-CB 3.38Å; D52-A54 PolarHBondContact OD1-N 3.5Å; A54-G396 WeakPolarHBondContact CB-O 3.46Å; A54-Y398 HydrophobicContact CB-CD2 3.85Å; A54-Y398 HydrophobicContact CB-CE2 3.95Å
55	A	97.4	Very high	96.7	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-10.4	178.3	0	0	0	0	0	113.5	T53 Q57 S347 V350 A351 Y398	T53-A55 PolarHBondContact O-N 3.49Å; T53-A55 VanDerWaalsContact O-N 3.12Å; A55-Q57 PolarHBondContact O-NE2 3Å; A55-S347 VanDerWaalsContact CB-O 3.28Å; A55-S347 WeakPolarHBondContact CB-O 3.38Å; A55-V350 HydrophobicContact CB-CB 3.99Å; A55-V350 HydrophobicContact CB-CG1 3.76Å; A55-V350 WeakPolarHBondContact O-CG1 3.5Å; A55-A351 HydrophobicContact CB-CB 4.26Å; A55-Y398 HydrophobicContact CB-CD2 3.7Å; A55-Y398 HydrophobicContact CB-CE2 3.9Å; A55-Y398 HydrophobicContact CB-CG 4.44Å
56	F	98.3	Very high	96.6	Very high	14 Å²	14	47.9 Å²	47.9	6%	0.061	28%	0.275	C	S	.	.			trans	-92.2	131.1	-178	-61.8	-86.6	0	0	0	110.6	A35 W37 T53 A58 V59 I322 L342 L346 V350	A35-F56 HydrophobicContact CB-CD1 3.71Å; A35-F56 HydrophobicContact CB-CE1 4.05Å; A35-F56 CarbonylContact O-C 3.48Å; A35-F56 WeakPolarHBondContact O-CA 3.38Å; W37-F56 HydrophobicContact CB-CB 4.43Å; W37-F56 HydrophobicContact CB-CD1 4.04Å; W37-F56 HydrophobicContact CB-CD2 4.48Å; W37-F56 HydrophobicContact CB-CE1 4.47Å; W37-F56 HydrophobicContact CB-CG 4.06Å; W37-F56 HydrophobicContact CE3-CE1 4.03Å; W37-F56 HydrophobicContact CE3-CE2 4.02Å; W37-F56 AromaticContact CE3-CZ 3.67Å; W37-F56 HydrophobicContact CE3-CZ 3.67Å; W37-F56 HydrophobicContact CZ3-CZ 4.2Å; T53-F56 HydrophobicContact CG2-CD2 4.39Å; T53-F56 WeakPolarHBondContact O-CD2 3.36Å; T53-F56 PolarHBondContact O-N 2.89Å; T53-F56 VanDerWaalsContact O-N 3.13Å; F56-A58 PolarHBondContact O-N 3.05Å; F56-V59 HydrophobicContact CB-CG2 4.23Å; F56-I322 HydrophobicContact CE1-CB 4.28Å; F56-I322 HydrophobicContact CE1-CG1 3.81Å; F56-L342 HydrophobicContact CE2-CD2 4.06Å; F56-L342 HydrophobicContact CZ-CD2 4.41Å; F56-L346 HydrophobicContact CZ-CD2 4.04Å; F56-L346 HydrophobicContact CZ-CG 4.17Å; F56-V350 HydrophobicContact CE1-CG2 4.26Å; F56-V350 HydrophobicContact CZ-CG2 4.3Å
57	Q	97.3	Very high	96.4	Very high	40 Å²	40	43.6 Å²	43.6	19%	0.187	27%	0.27	C	S	.	.	S	Bend	trans	-70.7	-19.6	178.6	-72.7	68.2	43.3	0	0	112.4	V28 V34 A35 A55 V441	V28-Q57 HydrophobicContact CG1-CG 4.43Å; V28-Q57 HydrophobicContact CG2-CB 4.2Å; V34-Q57 HydrophobicContact CB-CB 4.36Å; V34-Q57 HydrophobicContact CB-CG 4.32Å; V34-Q57 HydrophobicContact CG1-CB 4.34Å; V34-Q57 HydrophobicContact CG1-CG 4.03Å; A35-Q57 PolarHBondContact O-N 3.08Å; A35-Q57 PolarHBondContact O-OE1 3.49Å; A55-Q57 PolarHBondContact O-NE2 3Å; Q57-V441 PolarHBondContact NE2-OXT 3.23Å
58	A	97.4	Very high	96.2	Very high	11 Å²	11	41.8 Å²	41.8	9%	0.091	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	139.9	170.1	0	0	0	0	0	111.4	I36 W37 F56 F69	I36-A58 HydrophobicContact CG1-CB 4.46Å; I36-A58 HydrophobicContact CG2-CB 4.19Å; W37-A58 PolarHBondContact N-O 3.28Å; F56-A58 PolarHBondContact O-N 3.05Å; A58-F69 HydrophobicContact CB-CB 3.7Å; A58-F69 HydrophobicContact CB-CD1 3.43Å; A58-F69 VanDerWaalsContact CB-CD1 3.43Å; A58-F69 HydrophobicContact CB-CD2 4.18Å; A58-F69 HydrophobicContact CB-CE1 4.07Å; A58-F69 HydrophobicContact CB-CG 3.49Å; A58-F69 VanDerWaalsContact CB-CG 3.49Å
59	V	97.6	Very high	96.1	Very high	71 Å²	71	35.7 Å²	35.7	43%	0.43	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	115.4	174.9	-176.4	0	0	0	0	109	W37 T53 F56	W37-V59 HydrophobicContact CB-CB 4.47Å; W37-V59 HydrophobicContact CB-CG1 4.26Å; W37-V59 HydrophobicContact CB-CG2 4.34Å; W37-V59 HydrophobicContact CG-CG1 4.23Å; T53-V59 HydrophobicContact CG2-CG2 4.4Å; F56-V59 HydrophobicContact CB-CG2 4.23Å
60	T	97.6	Very high	96.1	Very high	8 Å²	8	34.9 Å²	34.9	5%	0.049	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	168.9	-175.8	66.5	0	0	0	0	110.5	W37 N38 Q68 F69 L70	W37-T60 WeakPolarHBondContact O-CA 3.41Å; W37-T60 PolarHBondContact O-N 3.23Å; W37-T60 PolarHBondContact O-OG1 3.44Å; N38-T60 WeakPolarHBondContact CA-O 3.44Å; N38-T60 PolarHBondContact ND2-OG1 3.38Å; T60-Q68 HydrophobicContact CG2-CB 4.17Å; T60-F69 HydrophobicContact CG2-CB 4.01Å; T60-L70 HydrophobicContact CG2-CB 4.1Å
61	T	96.8	Very high	96.1	Very high	16 Å²	16	30.4 Å²	30.4	10%	0.098	20%	0.197	C	C	.	.			trans	-122.1	145	175.7	177.7	0	0	0	0	110.3	N38 S63 V65 Q68	N38-T61 VanDerWaalsContact ND2-C 3.31Å; N38-T61 PolarHBondContact ND2-O 3.15Å; T61-S63 PolarHBondContact O-N 3.34Å; T61-S63 WeakPolarHBondContact OG1-CB 3.49Å; T61-S63 PolarHBondContact OG1-N 2.86Å; T61-S63 PolarHBondContact OG1-OG 2.91Å; T61-V65 HydrophobicContact CG2-CB 4.47Å; T61-V65 HydrophobicContact CG2-CG2 4.15Å; T61-Q68 VanDerWaalsContact CG2-OE1 3.28Å; T61-Q68 PolarHBondContact O-NE2 3.43Å; T61-Q68 PolarHBondContact O-OE1 2.94Å
62	P	95.3	Very high	96.2	Very high	6 Å²	6	29 Å²	29	4%	0.039	19%	0.19	C	C	.	.	S	Bend	trans	-68.3	-12.3	171.7	26.5	-32.5	0	0	0	113.2	P40 I72 Y74 R77	P40-P62 HydrophobicContact CB-CG 4.48Å; P40-P62 HydrophobicContact CG-CG 4.35Å; P62-I72 HydrophobicContact CB-CG2 4.07Å; P62-Y74 HydrophobicContact CB-CE2 4.14Å; P62-Y74 WeakPolarHBondContact CB-OH 3.22Å; P62-R77 VanDerWaalsContact O-CZ 3.28Å; P62-R77 PolarHBondContact O-NH1 3.28Å; P62-R77 PolarHBondContact O-NH2 3.04Å
63	S	93.9	Very high	96.2	Very high	47 Å²	47	28.1 Å²	28.1	33%	0.329	19%	0.185	S	C	.	.	S	Bend	trans	-55.9	158.5	175.9	-63.6	0	0	0	0	112.3	T61 V65 R77	T61-S63 PolarHBondContact O-N 3.34Å; T61-S63 WeakPolarHBondContact OG1-CB 3.49Å; T61-S63 PolarHBondContact OG1-N 2.86Å; T61-S63 PolarHBondContact OG1-OG 2.91Å; S63-V65 PolarHBondContact O-N 3.4Å; S63-R77 PolarHBondContact O-NH1 2.85Å
64	A	91.8	Very high	96.3	Very high	53 Å²	53	29.2 Å²	29.2	44%	0.438	19%	0.185	S	C	.	.	S	Bend	trans	-76.9	68.3	-179.7	0	0	0	0	0	111.5	Y116	A64-Y116 HydrophobicContact CB-CE1 3.82Å
65	V	93.4	Very high	96.2	Very high	69 Å²	69	29.8 Å²	29.8	42%	0.418	18%	0.183	S	C	.	.			trans	-114.3	125.5	179.4	-176.9	0	0	0	0	109.4	T61 S63 Q68	T61-V65 HydrophobicContact CG2-CB 4.47Å; T61-V65 HydrophobicContact CG2-CG2 4.15Å; S63-V65 PolarHBondContact O-N 3.4Å; V65-Q68 HydrophobicContact CB-CG 4.48Å; V65-Q68 PolarHBondContact O-NE2 2.99Å; V65-Q68 VanDerWaalsContact O-NE2 3.13Å
66	P	94.4	Very high	96.1	Very high	53 Å²	53	35.6 Å²	35.6	34%	0.344	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	163.3	175.6	-23.4	34.9	0	0	0	114.1	Q68 Y116	P66-Q68 VanDerWaalsContact C-N 3.28Å; P66-Q68 PolarHBondContact O-N 3.32Å; P66-Y116 CarbonylContact C-O 3.59Å; P66-Y116 VanDerWaalsContact CA-O 3.3Å; P66-Y116 WeakPolarHBondContact CA-O 3.47Å; P66-Y116 HydrophobicContact CG-CD1 4.08Å
67	G	92.8	Very high	95.9	Very high	55 Å²	55	36.4 Å²	36.4	57%	0.567	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.8	12	166	0	0	0	0	0	115.5	Y116	G67-Y116 PolarHBondContact N-O 3.16Å
68	Q	94.9	Very high	95.9	Very high	26 Å²	26	34.5 Å²	34.5	12%	0.121	21%	0.208	C	C	.	.			trans	-76.1	155.6	179.1	-61	-170.7	90.8	0	0	112.3	T60 T61 V65 P66 L70 R197	T60-Q68 HydrophobicContact CG2-CB 4.17Å; T61-Q68 VanDerWaalsContact CG2-OE1 3.28Å; T61-Q68 PolarHBondContact O-NE2 3.43Å; T61-Q68 PolarHBondContact O-OE1 2.94Å; V65-Q68 HydrophobicContact CB-CG 4.48Å; V65-Q68 PolarHBondContact O-NE2 2.99Å; V65-Q68 VanDerWaalsContact O-NE2 3.13Å; P66-Q68 VanDerWaalsContact C-N 3.28Å; P66-Q68 PolarHBondContact O-N 3.32Å; Q68-L70 VanDerWaalsContact C-N 3.32Å; Q68-L70 WeakPolarHBondContact CB-O 3.29Å; Q68-L70 PolarHBondContact O-N 2.9Å; Q68-R197 PolarHBondContact O-NH1 3.07Å
69	F	96.4	Very high	95.9	Very high	48 Å²	48	34.2 Å²	34.2	21%	0.211	21%	0.207	C	C	.	.	S	Bend	trans	-59.8	-44.5	172	-178.7	-90.8	0	0	0	111.8	L27 V28 I36 A58 T60 P123 G124 L125 R197	L27-F69 HydrophobicContact CD2-CE1 3.81Å; L27-F69 HydrophobicContact CD2-CZ 3.47Å; L27-F69 VanDerWaalsContact CD2-CZ 3.47Å; L27-F69 HydrophobicContact CG-CZ 3.98Å; V28-F69 HydrophobicContact CG2-CE2 4.47Å; V28-F69 HydrophobicContact CG2-CZ 4.16Å; I36-F69 HydrophobicContact CD1-CD1 4.31Å; I36-F69 HydrophobicContact CD1-CE1 3.68Å; I36-F69 HydrophobicContact CG1-CE1 4.13Å; I36-F69 HydrophobicContact CG2-CD1 4.47Å; A58-F69 HydrophobicContact CB-CB 3.7Å; A58-F69 HydrophobicContact CB-CD1 3.43Å; A58-F69 VanDerWaalsContact CB-CD1 3.43Å; A58-F69 HydrophobicContact CB-CD2 4.18Å; A58-F69 HydrophobicContact CB-CE1 4.07Å; A58-F69 HydrophobicContact CB-CG 3.49Å; A58-F69 VanDerWaalsContact CB-CG 3.49Å; T60-F69 HydrophobicContact CG2-CB 4.01Å; F69-P123 WeakPolarHBondContact CE2-O 3.29Å; F69-G124 CarbonylContact O-C 3.35Å; F69-G124 WeakPolarHBondContact O-CA 3.36Å; F69-L125 HydrophobicContact CE1-CG 4.4Å; F69-L125 PolarHBondContact O-N 3.13Å; F69-R197 PolarHBondContact O-NH1 2.94Å; F69-R197 VanDerWaalsContact O-NH1 3.07Å
70	L	97.9	Very high	96	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	119.9	173.2	-175.5	164.5	0	0	0	108.2	I36 N38 T60 Q68 I72 L125 V127 V321	I36-L70 HydrophobicContact CG2-CB 4.22Å; I36-L70 HydrophobicContact CG2-CD1 3.89Å; N38-L70 HydrophobicContact CB-CD1 4.31Å; T60-L70 HydrophobicContact CG2-CB 4.1Å; Q68-L70 VanDerWaalsContact C-N 3.32Å; Q68-L70 WeakPolarHBondContact CB-O 3.29Å; Q68-L70 PolarHBondContact O-N 2.9Å; L70-I72 HydrophobicContact CD2-CB 3.98Å; L70-I72 HydrophobicContact CD2-CG2 4.38Å; L70-L125 WeakPolarHBondContact CA-O 3.16Å; L70-L125 HydrophobicContact CB-CB 4.18Å; L70-L125 HydrophobicContact CD1-CB 4.33Å; L70-L125 HydrophobicContact CD1-CD1 4.01Å; L70-L125 HydrophobicContact CG-CB 3.91Å; L70-L125 HydrophobicContact CG-CD1 4.48Å; L70-V127 HydrophobicContact CG-CG2 4.49Å; L70-V321 HydrophobicContact CD1-CB 4.32Å; L70-V321 HydrophobicContact CD1-CG1 3.63Å; L70-V321 HydrophobicContact CD1-CG2 3.64Å
71	T	97.7	Very high	96	Very high	4 Å²	4	32.1 Å²	32.1	3%	0.025	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	115.1	169.5	-53.8	0	0	0	0	109	F73 I117 L125 A126 V127	T71-F73 HydrophobicContact CG2-CD1 4.41Å; T71-F73 HydrophobicContact CG2-CD2 4.36Å; T71-F73 HydrophobicContact CG2-CE1 3.8Å; T71-F73 HydrophobicContact CG2-CE2 3.76Å; T71-F73 HydrophobicContact CG2-CZ 3.45Å; T71-F73 VanDerWaalsContact CG2-CZ 3.45Å; T71-I117 HydrophobicContact CG2-CG1 4.34Å; T71-L125 PolarHBondContact N-O 3.06Å; T71-A126 WeakPolarHBondContact O-CA 3.32Å; T71-V127 PolarHBondContact O-N 2.93Å
72	I	98.1	Very high	96.1	Very high	3 Å²	3	31.3 Å²	31.3	2%	0.015	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	133	172	-174.8	170.5	0	0	0	109.1	P62 L70 Y74 R77 V127 D129 Y287	P62-I72 HydrophobicContact CB-CG2 4.07Å; L70-I72 HydrophobicContact CD2-CB 3.98Å; L70-I72 HydrophobicContact CD2-CG2 4.38Å; I72-Y74 HydrophobicContact CD1-CD1 4.39Å; I72-Y74 HydrophobicContact CD1-CE1 3.72Å; I72-Y74 HydrophobicContact CG1-CD1 4.49Å; I72-Y74 HydrophobicContact CG1-CE1 4.21Å; I72-R77 PolarHBondContact O-NH1 3.32Å; I72-R77 PolarHBondContact O-NH2 2.9Å; I72-V127 CarbonylContact C-O 3.58Å; I72-V127 WeakPolarHBondContact CA-O 3.47Å; I72-V127 HydrophobicContact CB-CB 4.42Å; I72-V127 HydrophobicContact CG1-CB 4.27Å; I72-V127 HydrophobicContact CG1-CG1 4.4Å; I72-D129 HydrophobicContact CD1-CB 4.04Å; I72-D129 HydrophobicContact CG1-CB 4Å; I72-Y287 HydrophobicContact CD1-CE1 4.48Å
73	F	98.2	Very high	96.2	Very high	1 Å²	1	32.7 Å²	32.7	0%	0.004	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	100.5	178.3	-64.1	-76.4	0	0	0	109.9	T71 L78 T112 Y116 I117 V127 D129 W199	T71-F73 HydrophobicContact CG2-CD1 4.41Å; T71-F73 HydrophobicContact CG2-CD2 4.36Å; T71-F73 HydrophobicContact CG2-CE1 3.8Å; T71-F73 HydrophobicContact CG2-CE2 3.76Å; T71-F73 HydrophobicContact CG2-CZ 3.45Å; T71-F73 VanDerWaalsContact CG2-CZ 3.45Å; F73-L78 HydrophobicContact CB-CB 3.66Å; F73-L78 HydrophobicContact CB-CD2 4.11Å; F73-L78 HydrophobicContact CB-CG 4.44Å; F73-L78 HydrophobicContact CD1-CB 4.08Å; F73-L78 HydrophobicContact CD1-CD1 4.28Å; F73-L78 HydrophobicContact CD2-CD2 4.22Å; F73-L78 HydrophobicContact CE1-CD1 4.49Å; F73-L78 HydrophobicContact CG-CB 3.96Å; F73-L78 HydrophobicContact CG-CD1 4.41Å; F73-L78 HydrophobicContact CG-CD2 4.13Å; F73-L78 HydrophobicContact CG-CG 4.42Å; F73-T112 HydrophobicContact CD1-CG2 3.89Å; F73-T112 HydrophobicContact CE1-CG2 3.67Å; F73-Y116 AromaticContact CE1-CD2 3.96Å; F73-Y116 HydrophobicContact CE1-CD2 3.96Å; F73-Y116 HydrophobicContact CE1-CG 4.27Å; F73-I117 HydrophobicContact CE2-CD1 4.16Å; F73-I117 HydrophobicContact CZ-CD1 4.03Å; F73-I117 HydrophobicContact CZ-CG1 4.31Å; F73-V127 PolarHBondContact N-O 3.48Å; F73-D129 PolarHBondContact O-N 3.45Å; F73-W199 HydrophobicContact CD2-CZ3 4.23Å; F73-W199 AromaticContact CE2-CH2 3.76Å; F73-W199 HydrophobicContact CE2-CH2 3.76Å; F73-W199 AromaticContact CE2-CZ3 3.81Å; F73-W199 HydrophobicContact CE2-CZ3 3.81Å; F73-W199 HydrophobicContact CZ-CH2 4.39Å
74	Y	97.8	Very high	96.4	Very high	60 Å²	60	31.3 Å²	31.3	24%	0.235	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	161.7	170.3	-64.6	-46.8	0	0	0	111.4	P62 I72 D76 R77 D129 W323	P62-Y74 HydrophobicContact CB-CE2 4.14Å; P62-Y74 WeakPolarHBondContact CB-OH 3.22Å; I72-Y74 HydrophobicContact CD1-CD1 4.39Å; I72-Y74 HydrophobicContact CD1-CE1 3.72Å; I72-Y74 HydrophobicContact CG1-CD1 4.49Å; I72-Y74 HydrophobicContact CG1-CE1 4.21Å; Y74-D76 PolarHBondContact O-N 2.91Å; Y74-R77 PolarHBondContact O-N 2.65Å; Y74-D129 HydrophobicContact CD1-CB 3.91Å; Y74-D129 WeakPolarHBondContact CD1-OD2 3.33Å; Y74-D129 HydrophobicContact CE1-CB 4.38Å; Y74-D129 WeakPolarHBondContact CE1-OD2 3.33Å; Y74-W323 PolarHBondContact OH-NE1 3.03Å; Y74-W323 VanDerWaalsContact OH-NE1 3.1Å
75	E	95.8	Very high	96.6	Very high	40 Å²	40	30.6 Å²	30.6	19%	0.187	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.8	-28.6	-177.2	-64.7	-173.4	143.8	0	0	116.3	Y81 K83 D129 E131 S132	E75-Y81 HydrophobicContact CB-CD1 3.95Å; E75-Y81 HydrophobicContact CB-CE1 4.33Å; E75-Y81 HydrophobicContact CG-CD1 4.12Å; E75-Y81 HydrophobicContact CG-CE1 4Å; E75-K83 HydrophobicContact CB-CD 4.11Å; E75-K83 VanDerWaalsContact OE2-CD 3.29Å; E75-K83 WeakPolarHBondContact OE2-CD 3.43Å; E75-K83 IonicContact OE2-NZ 3.64Å; E75-K83 PolarHBondContact OE2-NZ 3.17Å; E75-D129 WeakPolarHBondContact CG-O 3.3Å; E75-D129 PolarHBondContact N-O 3.43Å; E75-E131 PolarHBondContact OE1-N 2.97Å; E75-S132 VanDerWaalsContact CD-OG 3.25Å; E75-S132 WeakPolarHBondContact OE1-CA 3.47Å; E75-S132 WeakPolarHBondContact OE1-CB 3.26Å; E75-S132 PolarHBondContact OE1-N 3.33Å; E75-S132 PolarHBondContact OE1-OG 3.47Å; E75-S132 PolarHBondContact OE2-OG 2.84Å
76	D	93.9	Very high	96.5	Very high	122 Å²	122	31.1 Å²	31.1	65%	0.652	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.3	-3.3	-180	63.6	-24.4	0	0	0	113.7	Y74	Y74-D76 PolarHBondContact O-N 2.91Å
77	R	95.1	Very high	96.4	Very high	31 Å²	31	35.5 Å²	35.5	12%	0.117	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-36.1	-175.6	-66.7	-165.2	-77.5	172.9	-6.2	114	P62 S63 I72 Y74 T112	P62-R77 VanDerWaalsContact O-CZ 3.28Å; P62-R77 PolarHBondContact O-NH1 3.28Å; P62-R77 PolarHBondContact O-NH2 3.04Å; S63-R77 PolarHBondContact O-NH1 2.85Å; I72-R77 PolarHBondContact O-NH1 3.32Å; I72-R77 PolarHBondContact O-NH2 2.9Å; Y74-R77 PolarHBondContact O-N 2.65Å; R77-T112 WeakPolarHBondContact O-CG2 3.02Å; R77-T112 PolarHBondContact O-OG1 3.4Å
78	L	97.5	Very high	96.4	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.191	C	C	.	.	S	Bend	trans	-108.5	103.5	-175.5	-174.8	68.5	0	0	0	112.6	F73 A109 T112 I113 I128 W130 T186	F73-L78 HydrophobicContact CB-CB 3.66Å; F73-L78 HydrophobicContact CB-CD2 4.11Å; F73-L78 HydrophobicContact CB-CG 4.44Å; F73-L78 HydrophobicContact CD1-CB 4.08Å; F73-L78 HydrophobicContact CD1-CD1 4.28Å; F73-L78 HydrophobicContact CD2-CD2 4.22Å; F73-L78 HydrophobicContact CE1-CD1 4.49Å; F73-L78 HydrophobicContact CG-CB 3.96Å; F73-L78 HydrophobicContact CG-CD1 4.41Å; F73-L78 HydrophobicContact CG-CD2 4.13Å; F73-L78 HydrophobicContact CG-CG 4.42Å; L78-A109 HydrophobicContact CD1-CB 3.92Å; L78-A109 HydrophobicContact CG-CB 4.25Å; L78-T112 HydrophobicContact CD1-CG2 3.98Å; L78-I113 HydrophobicContact CD1-CD1 3.99Å; L78-I113 HydrophobicContact CD1-CG1 3.72Å; L78-I128 HydrophobicContact CD2-CB 4.46Å; L78-I128 HydrophobicContact CD2-CD1 3.83Å; L78-I128 HydrophobicContact CD2-CG1 3.7Å; L78-I128 HydrophobicContact CD2-CG2 4.06Å; L78-W130 WeakPolarHBondContact O-CZ2 3.4Å; L78-T186 HydrophobicContact CD2-CG2 3.76Å; L78-T186 HydrophobicContact CG-CG2 4.03Å
79	G	97.9	Very high	96.3	Very high	6 Å²	6	46.2 Å²	46.2	6%	0.062	22%	0.222	C	C	.	.	S	Bend	trans	72.3	-158.2	179.6	0	0	0	0	0	113.1	H105	G79-H105 VanDerWaalsContact CA-O 3.32Å; G79-H105 WeakPolarHBondContact CA-O 3.38Å
80	L	98.3	Very high	96.3	Very high	28 Å²	28	49.4 Å²	49.4	15%	0.147	24%	0.236	C	C	.	.			trans	-113.4	72	177.8	-56.7	179.6	0	0	0	109.1	P82 K93 E104 H105 K108	L80-P82 VanDerWaalsContact O-CD 3.32Å; L80-P82 WeakPolarHBondContact O-CD 3.42Å; L80-K93 HydrophobicContact CB-CB 4.48Å; L80-K93 HydrophobicContact CB-CD 4.07Å; L80-K93 HydrophobicContact CB-CG 3.99Å; L80-K93 HydrophobicContact CD2-CD 4.34Å; L80-E104 HydrophobicContact CD1-CB 3.92Å; L80-E104 HydrophobicContact CD1-CG 3.41Å; L80-E104 VanDerWaalsContact CD1-CG 3.41Å; L80-E104 WeakPolarHBondContact CD1-OE1 3.49Å; L80-H105 HydrophobicContact CB-CB 4.16Å; L80-H105 PolarHBondContact N-ND1 3.29Å; L80-H105 PolarHBondContact O-ND1 3.21Å; L80-K108 HydrophobicContact CD2-CB 4.32Å; L80-K108 HydrophobicContact CD2-CG 4.05Å; L80-K108 HydrophobicContact CG-CB 4.07Å; L80-K108 HydrophobicContact CG-CG 4.33Å
81	Y	98.4	Very high	96.3	Very high	6 Å²	6	54.4 Å²	54.4	2%	0.024	26%	0.262	C	S	.	.			trans	-69.2	120	-174.4	176.3	-120.2	0	0	0	111.2	E75 K83 H105 W130 W133	E75-Y81 HydrophobicContact CB-CD1 3.95Å; E75-Y81 HydrophobicContact CB-CE1 4.33Å; E75-Y81 HydrophobicContact CG-CD1 4.12Å; E75-Y81 HydrophobicContact CG-CE1 4Å; Y81-K83 HydrophobicContact CD1-CB 4.13Å; Y81-K83 HydrophobicContact CD1-CD 4.09Å; Y81-K83 HydrophobicContact CD1-CG 4.45Å; Y81-K83 HydrophobicContact CE1-CB 4.1Å; Y81-K83 HydrophobicContact CE1-CD 4.43Å; Y81-K83 PolarHBondContact O-N 3.07Å; Y81-H105 PolarHBondContact N-ND1 3.21Å; Y81-W130 HydrophobicContact CD1-CD2 4.44Å; Y81-W130 HydrophobicContact CD1-CG 4.24Å; Y81-W130 AromaticContact CD2-CD2 3.39Å; Y81-W130 HydrophobicContact CD2-CD2 3.39Å; Y81-W130 AromaticContact CD2-CE2 3.71Å; Y81-W130 AromaticContact CD2-CE3 3.41Å; Y81-W130 HydrophobicContact CD2-CE3 3.41Å; Y81-W130 VanDerWaalsContact CD2-CE3 3.41Å; Y81-W130 AromaticContact CD2-CG 3.96Å; Y81-W130 HydrophobicContact CD2-CG 3.96Å; Y81-W130 HydrophobicContact CD2-CH2 4.08Å; Y81-W130 HydrophobicContact CD2-CZ2 4.06Å; Y81-W130 AromaticContact CD2-CZ3 3.76Å; Y81-W130 HydrophobicContact CD2-CZ3 3.76Å; Y81-W130 HydrophobicContact CE1-CB 4.14Å; Y81-W130 HydrophobicContact CE1-CG 4.12Å; Y81-W130 HydrophobicContact CE2-CB 4Å; Y81-W130 AromaticContact CE2-CD2 3.5Å; Y81-W130 HydrophobicContact CE2-CD2 3.5Å; Y81-W130 AromaticContact CE2-CE3 3.34Å; Y81-W130 HydrophobicContact CE2-CE3 3.34Å; Y81-W130 AromaticContact CE2-CG 3.81Å; Y81-W130 HydrophobicContact CE2-CG 3.81Å; Y81-W130 HydrophobicContact CE2-CZ3 4.03Å; Y81-W130 AromaticContact CG-CD2 3.91Å; Y81-W130 HydrophobicContact CG-CD2 3.91Å; Y81-W130 AromaticContact CG-CE2 3.9Å; Y81-W130 HydrophobicContact CG-CE3 4.36Å; Y81-W130 HydrophobicContact CG-CG 4.18Å; Y81-W130 HydrophobicContact CG-CZ2 4.38Å; Y81-W130 AromaticContact CZ-CG 3.94Å; Y81-W133 AromaticContact CD2-CZ2 3.98Å; Y81-W133 HydrophobicContact CD2-CZ2 3.98Å; Y81-W133 HydrophobicContact CE2-CD2 4.27Å; Y81-W133 AromaticContact CE2-CE2 3.29Å; Y81-W133 HydrophobicContact CE2-CH2 4.05Å; Y81-W133 AromaticContact CE2-CZ2 3.18Å; Y81-W133 HydrophobicContact CE2-CZ2 3.18Å; Y81-W133 AromaticContact CE2-NE1 3.36Å; Y81-W133 AromaticContact CZ-CD1 3.88Å; Y81-W133 AromaticContact CZ-CE2 3.58Å; Y81-W133 AromaticContact CZ-CZ2 3.97Å; Y81-W133 AromaticContact CZ-NE1 3.32Å; Y81-W133 VanDerWaalsContact CZ-NE1 3.32Å; Y81-W133 VanDerWaalsContact OH-CE2 3.31Å; Y81-W133 PolarHBondContact OH-N 3.12Å; Y81-W133 PolarHBondContact OH-NE1 3.32Å
82	P	98.3	Very high	96.3	Very high	0 Å²	0	58 Å²	58	0%	0	28%	0.276	C	S	.	.			trans	-66.4	123.7	177.4	-22.1	35.6	0	0	0	110.5	L80 K93 W133 F182	L80-P82 VanDerWaalsContact O-CD 3.32Å; L80-P82 WeakPolarHBondContact O-CD 3.42Å; P82-K93 WeakPolarHBondContact CB-O 3.38Å; P82-K93 WeakPolarHBondContact CG-O 3.21Å; P82-W133 PolarHBondContact O-NE1 2.82Å; P82-F182 HydrophobicContact CG-CD1 4.32Å; P82-F182 HydrophobicContact CG-CE1 3.72Å; P82-F182 HydrophobicContact CG-CE2 4.34Å; P82-F182 HydrophobicContact CG-CZ 3.74Å
83	K	97.9	Very high	96.2	Very high	35 Å²	35	63.1 Å²	63.1	15%	0.152	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	163.7	-178.7	66.4	178.1	-175.2	-178.6	0	113.9	E75 Y81 Y92 G95 S132	E75-K83 HydrophobicContact CB-CD 4.11Å; E75-K83 VanDerWaalsContact OE2-CD 3.29Å; E75-K83 WeakPolarHBondContact OE2-CD 3.43Å; E75-K83 IonicContact OE2-NZ 3.64Å; E75-K83 PolarHBondContact OE2-NZ 3.17Å; Y81-K83 HydrophobicContact CD1-CB 4.13Å; Y81-K83 HydrophobicContact CD1-CD 4.09Å; Y81-K83 HydrophobicContact CD1-CG 4.45Å; Y81-K83 HydrophobicContact CE1-CB 4.1Å; Y81-K83 HydrophobicContact CE1-CD 4.43Å; Y81-K83 PolarHBondContact O-N 3.07Å; K83-Y92 HydrophobicContact CG-CD2 4.08Å; K83-Y92 HydrophobicContact CG-CG 4.38Å; K83-Y92 PolarHBondContact N-O 2.96Å; K83-Y92 VanDerWaalsContact N-O 3.09Å; K83-Y92 PolarHBondContact O-N 2.92Å; K83-G95 PolarHBondContact N-O 3.17Å; K83-S132 WeakPolarHBondContact CB-OG 3.26Å
84	V	97.5	Very high	96.1	Very high	18 Å²	18	64.6 Å²	64.6	11%	0.109	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	124.3	175.4	-176.2	0	0	0	0	109.3	I86 K90 I146 Y147 L150	V84-I86 HydrophobicContact CG1-CG2 4.13Å; V84-K90 WeakPolarHBondContact CA-O 3.45Å; V84-I146 HydrophobicContact CG1-CG1 4.25Å; V84-Y147 HydrophobicContact CB-CE1 4.29Å; V84-Y147 HydrophobicContact CG2-CE1 3.93Å; V84-Y147 PolarHBondContact N-OH 3.23Å; V84-Y147 PolarHBondContact O-OH 3.39Å; V84-L150 HydrophobicContact CG2-CD1 3.61Å
85	D	95.6	Very high	96.1	Very high	38 Å²	38	61.8 Å²	61.8	20%	0.203	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	100.5	166.1	-175.7	-24.6	0	0	0	108.2	I87 K88 H89 K90 Y92	D85-I87 VanDerWaalsContact C-N 3.27Å; D85-I87 PolarHBondContact O-N 3.45Å; D85-I87 PolarHBondContact OD1-N 3.42Å; D85-K88 HydrophobicContact CB-CB 4.35Å; D85-K88 PolarHBondContact OD1-N 3.45Å; D85-K88 WeakPolarHBondContact OD2-CD 3.38Å; D85-K88 WeakPolarHBondContact OD2-CE 3.41Å; D85-K88 VanDerWaalsContact OD2-CG 3.29Å; D85-K88 WeakPolarHBondContact OD2-CG 3.38Å; D85-K88 IonicContact OD2-NZ 2.84Å; D85-H89 CarbonylContact O-C 3.41Å; D85-H89 VanDerWaalsContact O-CA 3.32Å; D85-H89 WeakPolarHBondContact O-CA 3.5Å; D85-H89 PolarHBondContact O-N 3.13Å; D85-K90 HydrophobicContact CB-CB 4.44Å; D85-K90 PolarHBondContact N-O 3.33Å; D85-K90 PolarHBondContact O-N 3.1Å; D85-Y92 HydrophobicContact CB-CE2 3.74Å
86	I	91.9	Very high	96.3	Very high	79 Å²	79	59.9 Å²	59.9	41%	0.405	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-23.3	-177.9	62	178.5	0	0	0	113.1	V84 I146	V84-I86 HydrophobicContact CG1-CG2 4.13Å; I86-I146 HydrophobicContact CG2-CG2 3.98Å
87	I	92	Very high	96.5	Very high	146 Å²	146	54.1 Å²	54.1	75%	0.749	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-46.5	-178.9	-59.7	177.3	0	0	0	108.6	D85 H89	D85-I87 VanDerWaalsContact C-N 3.27Å; D85-I87 PolarHBondContact O-N 3.45Å; D85-I87 PolarHBondContact OD1-N 3.42Å; I87-H89 VanDerWaalsContact C-N 3.28Å; I87-H89 PolarHBondContact O-N 2.78Å; I87-H89 PolarHBondContact O-ND1 3.25Å
88	K	94.3	Very high	96.6	Very high	137 Å²	137	54.5 Å²	54.5	60%	0.596	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-2.9	178.5	-58.8	-176.2	-166.9	165.2	0	113.4	D85 K90	D85-K88 HydrophobicContact CB-CB 4.35Å; D85-K88 PolarHBondContact OD1-N 3.45Å; D85-K88 WeakPolarHBondContact OD2-CD 3.38Å; D85-K88 WeakPolarHBondContact OD2-CE 3.41Å; D85-K88 VanDerWaalsContact OD2-CG 3.29Å; D85-K88 WeakPolarHBondContact OD2-CG 3.38Å; D85-K88 IonicContact OD2-NZ 2.84Å; K88-K90 VanDerWaalsContact C-N 3.25Å; K88-K90 HydrophobicContact CB-CD 4.37Å; K88-K90 HydrophobicContact CB-CG 4.2Å; K88-K90 PolarHBondContact O-N 3.28Å
89	H	92.1	Very high	96.6	Very high	168 Å²	168	57.9 Å²	57.9	78%	0.778	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	41	-173.7	-59.6	87.9	0	0	0	113	D85 I87	D85-H89 CarbonylContact O-C 3.41Å; D85-H89 VanDerWaalsContact O-CA 3.32Å; D85-H89 WeakPolarHBondContact O-CA 3.5Å; D85-H89 PolarHBondContact O-N 3.13Å; I87-H89 VanDerWaalsContact C-N 3.28Å; I87-H89 PolarHBondContact O-N 2.78Å; I87-H89 PolarHBondContact O-ND1 3.25Å
90	K	96.4	Very high	96.6	Very high	115 Å²	115	58.4 Å²	58.4	50%	0.5	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	136	-177.1	-73.4	-173.2	177.6	-172.7	0	112.3	V84 D85 K88 Y92	V84-K90 WeakPolarHBondContact CA-O 3.45Å; D85-K90 HydrophobicContact CB-CB 4.44Å; D85-K90 PolarHBondContact N-O 3.33Å; D85-K90 PolarHBondContact O-N 3.1Å; K88-K90 VanDerWaalsContact C-N 3.25Å; K88-K90 HydrophobicContact CB-CD 4.37Å; K88-K90 HydrophobicContact CB-CG 4.2Å; K88-K90 PolarHBondContact O-N 3.28Å; K90-Y92 HydrophobicContact CB-CD2 4.42Å; K90-Y92 HydrophobicContact CB-CE2 3.63Å; K90-Y92 WeakPolarHBondContact CD-OH 3.24Å
91	I	97	Very high	96.6	Very high	105 Å²	105	61.3 Å²	61.3	54%	0.538	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	125.9	173	-65.4	178.8	0	0	0	108.6
92	Y	97.6	Very high	96.7	Very high	80 Å²	80	62.2 Å²	62.2	31%	0.314	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	133.8	178.3	-61.3	-85.3	0	0	0	110.5	K83 D85 K90 G94 G95	K83-Y92 HydrophobicContact CG-CD2 4.08Å; K83-Y92 HydrophobicContact CG-CG 4.38Å; K83-Y92 PolarHBondContact N-O 2.96Å; K83-Y92 VanDerWaalsContact N-O 3.09Å; K83-Y92 PolarHBondContact O-N 2.92Å; D85-Y92 HydrophobicContact CB-CE2 3.74Å; K90-Y92 HydrophobicContact CB-CD2 4.42Å; K90-Y92 HydrophobicContact CB-CE2 3.63Å; K90-Y92 WeakPolarHBondContact CD-OH 3.24Å; Y92-G94 PolarHBondContact O-N 3.37Å; Y92-G94 VanDerWaalsContact O-N 3.17Å; Y92-G95 PolarHBondContact O-N 3.11Å
93	K	97.4	Very high	96.7	Very high	110 Å²	110	67.7 Å²	67.7	48%	0.478	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.8	42.1	170.1	-48.5	-58.6	178.7	175.1	0	113	L80 P82	L80-K93 HydrophobicContact CB-CB 4.48Å; L80-K93 HydrophobicContact CB-CD 4.07Å; L80-K93 HydrophobicContact CB-CG 3.99Å; L80-K93 HydrophobicContact CD2-CD 4.34Å; P82-K93 WeakPolarHBondContact CB-O 3.38Å; P82-K93 WeakPolarHBondContact CG-O 3.21Å
94	G	96	Very high	96.7	Very high	33 Å²	33	70.9 Å²	70.9	34%	0.34	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.1	-10.7	-179.4	0	0	0	0	0	115.3	Y92 I96 N99	Y92-G94 PolarHBondContact O-N 3.37Å; Y92-G94 VanDerWaalsContact O-N 3.17Å; G94-I96 PolarHBondContact O-N 3.42Å; G94-N99 WeakPolarHBondContact O-CB 3.38Å; G94-N99 PolarHBondContact O-ND2 3.47Å
95	G	97.9	Very high	96.8	Very high	0 Å²	0	70 Å²	70	0%	0	35%	0.354	C	S	.	.	S	Bend	trans	77.3	-46.9	174.7	0	0	0	0	0	115.1	K83 Y92 Y147	K83-G95 PolarHBondContact N-O 3.17Å; Y92-G95 PolarHBondContact O-N 3.11Å; G95-Y147 VanDerWaalsContact O-CE1 3.28Å; G95-Y147 WeakPolarHBondContact O-CE1 3.45Å
96	I	98.5	Very high	96.9	Very high	1 Å²	1	69.7 Å²	69.7	1%	0.005	35%	0.352	C	S	.	.	S	Bend	trans	-115.1	151.2	177.7	59	-175.4	0	0	0	110.1	G94 Q98 N99 G100 Y147 L150 H154	G94-I96 PolarHBondContact O-N 3.42Å; I96-Q98 VanDerWaalsContact C-N 3.3Å; I96-Q98 HydrophobicContact CD1-CG 3.91Å; I96-Q98 HydrophobicContact CG1-CG 4.12Å; I96-Q98 PolarHBondContact O-N 2.86Å; I96-N99 HydrophobicContact CG1-CB 3.82Å; I96-N99 PolarHBondContact O-N 3.38Å; I96-N99 VanDerWaalsContact O-N 3.08Å; I96-G100 PolarHBondContact O-N 2.79Å; I96-Y147 HydrophobicContact CG2-CD1 4.15Å; I96-L150 HydrophobicContact CD1-CB 4.49Å; I96-L150 HydrophobicContact CG2-CB 3.67Å; I96-L150 HydrophobicContact CG2-CD1 4.23Å; I96-H154 HydrophobicContact CD1-CB 3.95Å
97	P	98.6	Very high	97.2	Very high	1 Å²	1	68.9 Å²	68.9	1%	0.006	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-55.9	-40.3	-175.6	-27.6	36.5	0	0	0	114.2	N99 G100 W133 F175 A178 F182	P97-N99 PolarHBondContact O-N 2.94Å; P97-G100 PolarHBondContact O-N 3.38Å; P97-W133 HydrophobicContact CB-CZ2 4.31Å; P97-W133 HydrophobicContact CG-CD2 3.96Å; P97-W133 HydrophobicContact CG-CE3 4.35Å; P97-W133 HydrophobicContact CG-CH2 4.02Å; P97-W133 HydrophobicContact CG-CZ2 3.55Å; P97-W133 HydrophobicContact CG-CZ3 4.39Å; P97-F175 HydrophobicContact CG-CD2 4.28Å; P97-F175 HydrophobicContact CG-CE2 3.98Å; P97-A178 HydrophobicContact CB-CB 3.71Å; P97-F182 HydrophobicContact CB-CD2 4.23Å; P97-F182 WeakPolarHBondContact O-CE2 3.34Å
98	Q	98.1	Very high	97.6	Very high	38 Å²	38	67 Å²	67	18%	0.178	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-70.7	-13.4	-178.1	66	-88.7	37	0	0	114.2	I96 S151 Q174 A178	I96-Q98 VanDerWaalsContact C-N 3.3Å; I96-Q98 HydrophobicContact CD1-CG 3.91Å; I96-Q98 HydrophobicContact CG1-CG 4.12Å; I96-Q98 PolarHBondContact O-N 2.86Å; Q98-S151 PolarHBondContact NE2-OG 3.49Å; Q98-Q174 HydrophobicContact CB-CB 4.26Å; Q98-Q174 HydrophobicContact CG-CB 4.25Å; Q98-A178 VanDerWaalsContact CA-CB 3.48Å; Q98-A178 HydrophobicContact CB-CB 3.75Å
99	N	97.9	Very high	97.8	Very high	71 Å²	71	60.5 Å²	60.5	38%	0.38	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-97.3	-5.7	172	-72	-0.7	0	0	0	112.7	G94 I96 P97 H154	G94-N99 WeakPolarHBondContact O-CB 3.38Å; G94-N99 PolarHBondContact O-ND2 3.47Å; I96-N99 HydrophobicContact CG1-CB 3.82Å; I96-N99 PolarHBondContact O-N 3.38Å; I96-N99 VanDerWaalsContact O-N 3.08Å; P97-N99 PolarHBondContact O-N 2.94Å; N99-H154 PolarHBondContact OD1-CE1 3.38Å; N99-H154 PolarHBondContact OD1-ND1 2.88Å; N99-H154 VanDerWaalsContact OD1-ND1 3.08Å
100	G	97.8	Very high	98.1	Very high	17 Å²	17	57.7 Å²	57.7	18%	0.175	30%	0.301	C	S	.	.	S	Bend	trans	-81.6	141.4	-176.4	0	0	0	0	0	112.6	I96 P97 L102	I96-G100 PolarHBondContact O-N 2.79Å; P97-G100 PolarHBondContact O-N 3.38Å; G100-L102 PolarHBondContact O-N 2.97Å; G100-L102 VanDerWaalsContact O-N 3.14Å
101	N	98.4	Very high	98.1	Very high	90 Å²	90	55.5 Å²	55.5	48%	0.481	30%	0.3	S	S	.	.			trans	-77.8	97.3	170.5	-172.6	-22.8	0	0	0	110.3	T103 E104 H105	N101-T103 VanDerWaalsContact C-N 3.33Å; N101-T103 PolarHBondContact O-N 2.81Å; N101-T103 PolarHBondContact OD1-N 2.96Å; N101-E104 HydrophobicContact CB-CB 4.13Å; N101-E104 PolarHBondContact OD1-N 3.48Å; N101-E104 VanDerWaalsContact OD1-N 3.15Å; N101-H105 WeakPolarHBondContact O-CB 3.46Å; N101-H105 PolarHBondContact O-N 2.89Å
102	L	98.7	Very high	98.2	Very high	25 Å²	25	50.9 Å²	50.9	13%	0.131	28%	0.277	C	S	.	.	H	α-helix	trans	-63.8	-36.2	-178	-177.5	61.8	0	0	0	112.6	G100 H105 L106 R181 F182	G100-L102 PolarHBondContact O-N 2.97Å; G100-L102 VanDerWaalsContact O-N 3.14Å; L102-H105 WeakPolarHBondContact O-CB 3.29Å; L102-H105 PolarHBondContact O-N 3.46Å; L102-L106 HydrophobicContact CD1-CD1 4.01Å; L102-L106 HydrophobicContact CD1-CD2 4.34Å; L102-L106 HydrophobicContact CD1-CG 3.98Å; L102-L106 HydrophobicContact CG-CD1 3.87Å; L102-L106 HydrophobicContact CG-CG 4.27Å; L102-L106 WeakPolarHBondContact O-CB 3.28Å; L102-L106 WeakPolarHBondContact O-CG 3.35Å; L102-L106 PolarHBondContact O-N 2.84Å; L102-R181 HydrophobicContact CD2-CB 4.06Å; L102-F182 HydrophobicContact CB-CE2 4.1Å; L102-F182 HydrophobicContact CB-CZ 4.1Å; L102-F182 HydrophobicContact CD1-CD1 3.97Å; L102-F182 HydrophobicContact CD1-CD2 3.97Å; L102-F182 HydrophobicContact CD1-CE1 4.08Å; L102-F182 HydrophobicContact CD1-CE2 4.08Å; L102-F182 HydrophobicContact CD1-CG 3.91Å; L102-F182 HydrophobicContact CD1-CZ 4.13Å
103	T	98.6	Very high	98.2	Very high	114 Å²	114	47.1 Å²	47.1	70%	0.699	26%	0.262	S	S	*	.	H	α-helix	trans	-65	-48.9	-179	-57.8	0	0	0	0	110.9	N101 H105 L106 A107	N101-T103 VanDerWaalsContact C-N 3.33Å; N101-T103 PolarHBondContact O-N 2.81Å; N101-T103 PolarHBondContact OD1-N 2.96Å; T103-H105 VanDerWaalsContact C-N 3.33Å; T103-H105 PolarHBondContact O-N 3.24Å; T103-L106 PolarHBondContact O-N 2.93Å; T103-A107 PolarHBondContact O-N 3.42Å
104	E	98.5	Very high	98.1	Very high	102 Å²	102	44.8 Å²	44.8	48%	0.477	26%	0.255	S	S	.	.	H	α-helix	trans	-64.8	-39.6	177.6	-161.5	-164.7	157.4	0	0	111.3	L80 N101 L106 A107 K108	L80-E104 HydrophobicContact CD1-CB 3.92Å; L80-E104 HydrophobicContact CD1-CG 3.41Å; L80-E104 VanDerWaalsContact CD1-CG 3.41Å; L80-E104 WeakPolarHBondContact CD1-OE1 3.49Å; N101-E104 HydrophobicContact CB-CB 4.13Å; N101-E104 PolarHBondContact OD1-N 3.48Å; N101-E104 VanDerWaalsContact OD1-N 3.15Å; E104-L106 PolarHBondContact O-N 3Å; E104-A107 PolarHBondContact O-N 2.74Å; E104-K108 PolarHBondContact O-N 2.8Å
105	H	98.8	Very high	98.2	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-54.8	-51.2	173.1	173.1	94.9	0	0	0	112	G79 L80 Y81 N101 L102 T103 K108 A109 W130 F182 T186	G79-H105 VanDerWaalsContact CA-O 3.32Å; G79-H105 WeakPolarHBondContact CA-O 3.38Å; L80-H105 HydrophobicContact CB-CB 4.16Å; L80-H105 PolarHBondContact N-ND1 3.29Å; L80-H105 PolarHBondContact O-ND1 3.21Å; Y81-H105 PolarHBondContact N-ND1 3.21Å; N101-H105 WeakPolarHBondContact O-CB 3.46Å; N101-H105 PolarHBondContact O-N 2.89Å; L102-H105 WeakPolarHBondContact O-CB 3.29Å; L102-H105 PolarHBondContact O-N 3.46Å; T103-H105 VanDerWaalsContact C-N 3.33Å; T103-H105 PolarHBondContact O-N 3.24Å; H105-K108 PolarHBondContact O-N 3.21Å; H105-A109 WeakPolarHBondContact O-CB 3.26Å; H105-A109 PolarHBondContact O-N 2.91Å; H105-W130 AromaticContact CE1-CH2 3.38Å; H105-W130 WeakPolarHBondContact CE1-CH2 3.16Å; H105-W130 AromaticContact CE1-CZ2 3.5Å; H105-W130 VanDerWaalsContact CE1-CZ2 3.5Å; H105-W130 WeakPolarHBondContact CE1-CZ2 3.39Å; H105-W130 AromaticContact NE2-CH2 3.43Å; H105-W130 WeakPolarHBondContact NE2-CH2 3.28Å; H105-W130 AromaticContact NE2-CZ2 3.83Å; H105-F182 HydrophobicContact CB-CD1 4.43Å; H105-F182 HydrophobicContact CB-CE1 3.72Å; H105-F182 HydrophobicContact CB-CZ 4.5Å; H105-F182 AromaticContact CG-CD1 3.81Å; H105-F182 AromaticContact CG-CE1 3.56Å; H105-F182 AromaticContact ND1-CD1 3.77Å; H105-F182 AromaticContact ND1-CE1 3.64Å; H105-T186 PolarHBondContact CD2-OG1 2.94Å; H105-T186 VanDerWaalsContact CD2-OG1 3.27Å; H105-T186 PolarHBondContact NE2-OG1 3.32Å
106	L	98.8	Very high	98.1	Very high	31 Å²	31	50.5 Å²	50.5	16%	0.162	27%	0.271	C	S	.	.	H	α-helix	trans	-69.6	-36.5	-176.4	-67.1	171.9	0	0	0	111.9	L102 T103 E104 A109 K110 K185 T186 I189	L102-L106 HydrophobicContact CD1-CD1 4.01Å; L102-L106 HydrophobicContact CD1-CD2 4.34Å; L102-L106 HydrophobicContact CD1-CG 3.98Å; L102-L106 HydrophobicContact CG-CD1 3.87Å; L102-L106 HydrophobicContact CG-CG 4.27Å; L102-L106 WeakPolarHBondContact O-CB 3.28Å; L102-L106 WeakPolarHBondContact O-CG 3.35Å; L102-L106 PolarHBondContact O-N 2.84Å; T103-L106 PolarHBondContact O-N 2.93Å; E104-L106 PolarHBondContact O-N 3Å; L106-A109 PolarHBondContact O-N 3.31Å; L106-K110 WeakPolarHBondContact O-CB 3.48Å; L106-K110 PolarHBondContact O-N 2.68Å; L106-K185 HydrophobicContact CD1-CB 3.95Å; L106-K185 HydrophobicContact CD2-CB 3.77Å; L106-T186 WeakPolarHBondContact CD2-OG1 3.47Å; L106-I189 HydrophobicContact CB-CD1 3.79Å; L106-I189 HydrophobicContact CD1-CD1 4.4Å; L106-I189 HydrophobicContact CD2-CD1 3.66Å; L106-I189 HydrophobicContact CG-CD1 4.13Å
107	A	98.7	Very high	97.9	Very high	63 Å²	63	50.5 Å²	50.5	52%	0.521	27%	0.271	S	S	.	.	H	α-helix	trans	-60.7	-46.5	173.5	0	0	0	0	0	111.4	T103 E104 K110 S111	T103-A107 PolarHBondContact O-N 3.42Å; E104-A107 PolarHBondContact O-N 2.74Å; A107-K110 PolarHBondContact O-N 3.2Å; A107-S111 PolarHBondContact O-N 2.57Å
108	K	98.6	Very high	97.5	Very high	106 Å²	106	53.7 Å²	53.7	46%	0.461	29%	0.293	S	S	.	.	H	α-helix	trans	-65	-42.5	175.5	-178.1	61.4	176.3	-179.7	0	111.8	L80 E104 H105 K110 S111 T112	L80-K108 HydrophobicContact CD2-CB 4.32Å; L80-K108 HydrophobicContact CD2-CG 4.05Å; L80-K108 HydrophobicContact CG-CB 4.07Å; L80-K108 HydrophobicContact CG-CG 4.33Å; E104-K108 PolarHBondContact O-N 2.8Å; H105-K108 PolarHBondContact O-N 3.21Å; K108-K110 VanDerWaalsContact C-N 3.33Å; K108-K110 PolarHBondContact O-N 2.85Å; K108-S111 PolarHBondContact O-N 3.37Å; K108-T112 PolarHBondContact O-N 3.4Å; K108-T112 PolarHBondContact O-OG1 3.48Å
109	A	98.5	Very high	97	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-60.3	-43.6	178.4	0	0	0	0	0	111.5	L78 H105 L106 S111 T112 I113 T186	L78-A109 HydrophobicContact CD1-CB 3.92Å; L78-A109 HydrophobicContact CG-CB 4.25Å; H105-A109 WeakPolarHBondContact O-CB 3.26Å; H105-A109 PolarHBondContact O-N 2.91Å; L106-A109 PolarHBondContact O-N 3.31Å; A109-S111 PolarHBondContact O-N 2.77Å; A109-T112 WeakPolarHBondContact O-CB 3.18Å; A109-T112 PolarHBondContact O-N 2.9Å; A109-I113 WeakPolarHBondContact O-CD1 3.38Å; A109-I113 VanDerWaalsContact O-CG1 3.26Å; A109-I113 WeakPolarHBondContact O-CG1 3.39Å; A109-I113 PolarHBondContact O-N 3.34Å; A109-T186 HydrophobicContact CB-CG2 4.26Å
110	K	98.3	Very high	96.7	Very high	110 Å²	110	55.8 Å²	55.8	48%	0.478	30%	0.302	S	S	.	.	H	α-helix	trans	-57	-50.3	175.7	-179.6	176.2	-180	-174.5	0	111.7	L106 A107 K108 I113 D114 I189 K193	L106-K110 WeakPolarHBondContact O-CB 3.48Å; L106-K110 PolarHBondContact O-N 2.68Å; A107-K110 PolarHBondContact O-N 3.2Å; K108-K110 VanDerWaalsContact C-N 3.33Å; K108-K110 PolarHBondContact O-N 2.85Å; K110-I113 PolarHBondContact O-N 2.97Å; K110-D114 PolarHBondContact O-N 3.11Å; K110-I189 HydrophobicContact CB-CG2 4.32Å; K110-K193 HydrophobicContact CG-CD 3.88Å
111	S	97.9	Very high	96.2	Very high	68 Å²	68	60 Å²	60	48%	0.476	33%	0.328	S	S	.	.	H	α-helix	trans	-61.8	-43	177.7	173.3	0	0	0	0	112.4	A107 K108 A109 I113 D114 H115	A107-S111 PolarHBondContact O-N 2.57Å; K108-S111 PolarHBondContact O-N 3.37Å; A109-S111 PolarHBondContact O-N 2.77Å; S111-I113 PolarHBondContact O-N 3.22Å; S111-D114 PolarHBondContact O-N 3.33Å; S111-H115 PolarHBondContact O-N 3.37Å
112	T	97.7	Very high	95.6	Very high	9 Å²	9	58.4 Å²	58.4	6%	0.055	32%	0.324	C	S	.	.	H	α-helix	trans	-57.5	-47.9	174.2	-69.3	0	0	0	0	111.2	F73 R77 L78 K108 A109 D114 H115 Y116	F73-T112 HydrophobicContact CD1-CG2 3.89Å; F73-T112 HydrophobicContact CE1-CG2 3.67Å; R77-T112 WeakPolarHBondContact O-CG2 3.02Å; R77-T112 PolarHBondContact O-OG1 3.4Å; L78-T112 HydrophobicContact CD1-CG2 3.98Å; K108-T112 PolarHBondContact O-N 3.4Å; K108-T112 PolarHBondContact O-OG1 3.48Å; A109-T112 WeakPolarHBondContact O-CB 3.18Å; A109-T112 PolarHBondContact O-N 2.9Å; T112-D114 VanDerWaalsContact C-N 3.3Å; T112-D114 PolarHBondContact O-N 3.41Å; T112-H115 PolarHBondContact O-N 3.37Å; T112-Y116 HydrophobicContact CG2-CD2 3.62Å; T112-Y116 HydrophobicContact CG2-CE2 3.85Å; T112-Y116 VanDerWaalsContact O-CD2 3.31Å; T112-Y116 WeakPolarHBondContact O-CD2 3.35Å; T112-Y116 PolarHBondContact O-N 3.2Å
113	I	97.9	Very high	95.3	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-61.2	-42.3	179.8	-69.2	160.3	0	0	0	110.5	L78 A109 K110 S111 H115 I117 I189 K193 R194 W199	L78-I113 HydrophobicContact CD1-CD1 3.99Å; L78-I113 HydrophobicContact CD1-CG1 3.72Å; A109-I113 WeakPolarHBondContact O-CD1 3.38Å; A109-I113 VanDerWaalsContact O-CG1 3.26Å; A109-I113 WeakPolarHBondContact O-CG1 3.39Å; A109-I113 PolarHBondContact O-N 3.34Å; K110-I113 PolarHBondContact O-N 2.97Å; S111-I113 PolarHBondContact O-N 3.22Å; I113-H115 VanDerWaalsContact C-N 3.27Å; I113-H115 PolarHBondContact O-N 3.06Å; I113-I117 PolarHBondContact O-N 2.99Å; I113-I189 HydrophobicContact CD1-CG2 4.15Å; I113-K193 HydrophobicContact CG2-CB 4.36Å; I113-R194 HydrophobicContact CG2-CG 3.82Å; I113-W199 HydrophobicContact CD1-CH2 4.23Å; I113-W199 HydrophobicContact CG1-CH2 4.01Å; I113-W199 HydrophobicContact CG2-CH2 4.45Å; I113-W199 HydrophobicContact CG2-CZ2 4.48Å
114	D	96.9	Very high	95.3	Very high	62 Å²	62	54.8 Å²	54.8	33%	0.332	30%	0.304	S	S	.	.	H	α-helix	trans	-61.6	-35.1	177.3	-75.9	-35	0	0	0	113.1	K110 S111 T112 S118 K193 R194	K110-D114 PolarHBondContact O-N 3.11Å; S111-D114 PolarHBondContact O-N 3.33Å; T112-D114 VanDerWaalsContact C-N 3.3Å; T112-D114 PolarHBondContact O-N 3.41Å; D114-S118 WeakPolarHBondContact O-CA 3.14Å; D114-K193 WeakPolarHBondContact OD1-CE 3.39Å; D114-K193 IonicContact OD1-NZ 3.54Å; D114-K193 PolarHBondContact OD1-NZ 3.23Å; D114-K193 WeakPolarHBondContact OD2-CE 3.37Å; D114-K193 IonicContact OD2-NZ 3.64Å; D114-K193 PolarHBondContact OD2-NZ 3.1Å; D114-R194 IonicContact OD1-CZ 2.74Å; D114-R194 IonicContact OD1-NH1 2.73Å; D114-R194 IonicContact OD1-NH2 2.81Å; D114-R194 PolarHBondContact OD1-NH2 2.9Å
115	H	96.2	Very high	95.3	Very high	110 Å²	110	49.9 Å²	49.9	51%	0.509	28%	0.281	S	S	.	.	H	α-helix	trans	-74.6	-54.4	177.8	-179.7	70.8	0	0	0	113.2	S111 T112 I113	S111-H115 PolarHBondContact O-N 3.37Å; T112-H115 PolarHBondContact O-N 3.37Å; I113-H115 VanDerWaalsContact C-N 3.27Å; I113-H115 PolarHBondContact O-N 3.06Å
116	Y	95.8	Very high	95.2	Very high	42 Å²	42	49.9 Å²	49.9	17%	0.165	28%	0.281	C	S	.	.	H	α-helix	trans	-80.3	-26.8	-170.2	-70.7	-71.6	0	0	0	113.8	A64 P66 G67 F73 T112	A64-Y116 HydrophobicContact CB-CE1 3.82Å; P66-Y116 CarbonylContact C-O 3.59Å; P66-Y116 VanDerWaalsContact CA-O 3.3Å; P66-Y116 WeakPolarHBondContact CA-O 3.47Å; P66-Y116 HydrophobicContact CG-CD1 4.08Å; G67-Y116 PolarHBondContact N-O 3.16Å; F73-Y116 AromaticContact CE1-CD2 3.96Å; F73-Y116 HydrophobicContact CE1-CD2 3.96Å; F73-Y116 HydrophobicContact CE1-CG 4.27Å; T112-Y116 HydrophobicContact CG2-CD2 3.62Å; T112-Y116 HydrophobicContact CG2-CE2 3.85Å; T112-Y116 VanDerWaalsContact O-CD2 3.31Å; T112-Y116 WeakPolarHBondContact O-CD2 3.35Å; T112-Y116 PolarHBondContact O-N 3.2Å
117	I	95.6	Very high	95.2	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.005	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.8	69.7	175.6	-48.3	175.5	0	0	0	105.9	T71 F73 I113 Q119 A126 R194 R197 W199	T71-I117 HydrophobicContact CG2-CG1 4.34Å; F73-I117 HydrophobicContact CE2-CD1 4.16Å; F73-I117 HydrophobicContact CZ-CD1 4.03Å; F73-I117 HydrophobicContact CZ-CG1 4.31Å; I113-I117 PolarHBondContact O-N 2.99Å; I117-Q119 VanDerWaalsContact C-N 3.31Å; I117-Q119 PolarHBondContact O-N 2.92Å; I117-A126 HydrophobicContact CD1-CB 4.19Å; I117-R194 HydrophobicContact CB-CG 4.19Å; I117-R194 HydrophobicContact CD1-CG 4.42Å; I117-R194 HydrophobicContact CG2-CG 3.89Å; I117-R194 PolarHBondContact O-NE 3.36Å; I117-R194 PolarHBondContact O-NH2 2.98Å; I117-R197 HydrophobicContact CD1-CG 4.41Å; I117-R197 HydrophobicContact CG2-CG 4.25Å; I117-W199 HydrophobicContact CD1-CH2 3.94Å; I117-W199 HydrophobicContact CD1-CZ2 3.85Å
118	S	90	Very high	95.3	Very high	68 Å²	68	45.4 Å²	45.4	48%	0.476	25%	0.249	S	C	.	.			trans	-67.6	-33.6	-176.6	55.7	0	0	0	0	112.6	D114	D114-S118 WeakPolarHBondContact O-CA 3.14Å
119	Q	88.4	Confident	95.3	Very high	131 Å²	131	40.9 Å²	40.9	61%	0.612	23%	0.229	S	C	*	.			trans	-118.3	136.2	178.8	-61.9	-63.7	-25.5	0	0	110.8	I117 R197	I117-Q119 VanDerWaalsContact C-N 3.31Å; I117-Q119 PolarHBondContact O-N 2.92Å; Q119-R197 PolarHBondContact O-NH2 2.92Å
120	D	90.3	Very high	95.3	Very high	23 Å²	23	41.9 Å²	41.9	12%	0.123	23%	0.233	C	C	.	.			trans	-117.5	26.9	177.2	-157.3	43	0	0	0	112.6	S122 R194 P195 N196 R197	D120-S122 VanDerWaalsContact C-N 3.27Å; D120-S122 PolarHBondContact O-N 3.06Å; D120-R194 WeakPolarHBondContact OD2-CA 3.15Å; D120-P195 WeakPolarHBondContact OD2-CD 3.4Å; D120-N196 WeakPolarHBondContact O-CB 3.47Å; D120-N196 PolarHBondContact O-ND2 3.07Å; D120-N196 WeakPolarHBondContact OD2-CB 3.37Å; D120-N196 PolarHBondContact OD2-N 2.73Å; D120-R197 WeakPolarHBondContact OD1-CG 3.44Å; D120-R197 IonicContact OD1-NE 3.54Å; D120-R197 PolarHBondContact OD1-NE 3.44Å
121	S	87.1	Confident	95.2	Very high	105 Å²	105	40.6 Å²	40.6	73%	0.734	23%	0.229	S	C	*	.	S	Bend	trans	-74.8	-16	-179.2	53.4	0	0	0	0	113.6
122	S	85.9	Confident	95.2	Very high	56 Å²	56	38 Å²	38	39%	0.392	21%	0.211	S	C	.	.	S	Bend	trans	-124.6	146.2	-177.9	67.1	0	0	0	0	112.4	D120	D120-S122 VanDerWaalsContact C-N 3.27Å; D120-S122 PolarHBondContact O-N 3.06Å
123	P	93.8	Very high	95.2	Very high	63 Å²	63	37.9 Å²	37.9	41%	0.409	21%	0.209	S	C	.	.			trans	-58.2	152.1	171.4	-19.9	30.9	0	0	0	112.4	L27 F69 N196	L27-P123 HydrophobicContact CD1-CB 3.49Å; L27-P123 VanDerWaalsContact CD1-CB 3.49Å; L27-P123 HydrophobicContact CG-CB 4.21Å; F69-P123 WeakPolarHBondContact CE2-O 3.29Å; P123-N196 WeakPolarHBondContact CA-O 3.37Å
124	G	96.8	Very high	95.3	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177	-175.8	175.6	0	0	0	0	0	112.5	F69 R197 R198	F69-G124 CarbonylContact O-C 3.35Å; F69-G124 WeakPolarHBondContact O-CA 3.36Å; G124-R197 CarbonylContact O-C 3.56Å; G124-R197 WeakPolarHBondContact O-CA 3.39Å; G124-R198 PolarHBondContact O-N 2.95Å
125	L	98.6	Very high	95.3	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	140.9	-178.8	-59.6	-176.1	0	0	0	110.9	L27 I36 F69 L70 T71 R198 F243 Y285 V321	L27-L125 HydrophobicContact CD2-CD2 3.61Å; L27-L125 HydrophobicContact CD2-CG 3.95Å; I36-L125 HydrophobicContact CD1-CD1 3.36Å; I36-L125 HydrophobicContact CD1-CG 4.23Å; F69-L125 HydrophobicContact CE1-CG 4.4Å; F69-L125 PolarHBondContact O-N 3.13Å; L70-L125 WeakPolarHBondContact CA-O 3.16Å; L70-L125 HydrophobicContact CB-CB 4.18Å; L70-L125 HydrophobicContact CD1-CB 4.33Å; L70-L125 HydrophobicContact CD1-CD1 4.01Å; L70-L125 HydrophobicContact CG-CB 3.91Å; L70-L125 HydrophobicContact CG-CD1 4.48Å; T71-L125 PolarHBondContact N-O 3.06Å; L125-R198 HydrophobicContact CD2-CB 3.89Å; L125-F243 HydrophobicContact CD1-CE1 4.08Å; L125-F243 HydrophobicContact CD2-CE1 4.28Å; L125-F243 HydrophobicContact CD2-CZ 4.22Å; L125-Y285 HydrophobicContact CD1-CD1 4.25Å; L125-Y285 HydrophobicContact CD1-CD2 4.38Å; L125-Y285 HydrophobicContact CD1-CG 4.12Å; L125-Y285 HydrophobicContact CD2-CD2 3.83Å; L125-Y285 HydrophobicContact CD2-CE2 3.66Å; L125-Y285 HydrophobicContact CD2-CG 4.36Å; L125-V321 HydrophobicContact CD1-CG2 4.07Å
126	A	98.4	Very high	95.4	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	107.9	174.1	0	0	0	0	0	109.2	T71 I117 R197 R198 W199 G200	T71-A126 WeakPolarHBondContact O-CA 3.32Å; I117-A126 HydrophobicContact CD1-CB 4.19Å; A126-R197 HydrophobicContact CB-CB 4.05Å; A126-R198 PolarHBondContact N-O 2.74Å; A126-W199 HydrophobicContact CB-CD2 3.4Å; A126-W199 VanDerWaalsContact CB-CD2 3.4Å; A126-W199 VanDerWaalsContact CB-CE2 3.49Å; A126-W199 HydrophobicContact CB-CE3 3.48Å; A126-W199 VanDerWaalsContact CB-CE3 3.48Å; A126-W199 HydrophobicContact CB-CG 4.04Å; A126-W199 HydrophobicContact CB-CH2 3.7Å; A126-W199 HydrophobicContact CB-CZ2 3.65Å; A126-W199 HydrophobicContact CB-CZ3 3.63Å; A126-W199 WeakPolarHBondContact O-CA 3.43Å; A126-G200 PolarHBondContact O-N 3.3Å
127	V	98.8	Very high	95.5	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	122.1	-169.3	-175.6	0	0	0	0	109.5	L70 T71 I72 F73 F243 Y287	L70-V127 HydrophobicContact CG-CG2 4.49Å; T71-V127 PolarHBondContact O-N 2.93Å; I72-V127 CarbonylContact C-O 3.58Å; I72-V127 WeakPolarHBondContact CA-O 3.47Å; I72-V127 HydrophobicContact CB-CB 4.42Å; I72-V127 HydrophobicContact CG1-CB 4.27Å; I72-V127 HydrophobicContact CG1-CG1 4.4Å; F73-V127 PolarHBondContact N-O 3.48Å; V127-F243 HydrophobicContact CG1-CD2 4.37Å; V127-F243 HydrophobicContact CG1-CG 4.36Å; V127-F243 HydrophobicContact CG2-CD1 4Å; V127-F243 HydrophobicContact CG2-CD2 4.21Å; V127-F243 HydrophobicContact CG2-CE1 3.77Å; V127-F243 HydrophobicContact CG2-CE2 3.99Å; V127-F243 HydrophobicContact CG2-CG 4.21Å; V127-F243 HydrophobicContact CG2-CZ 3.76Å; V127-Y287 HydrophobicContact CG1-CE2 4.11Å; V127-Y287 HydrophobicContact CG2-CE2 4.24Å; V127-Y287 WeakPolarHBondContact CG2-OH 3.42Å
128	I	98.9	Very high	95.6	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	113.4	174.7	-52.8	174.9	0	0	0	108	L78 W130 T186 I187 W199 G200 F201 Y202	L78-I128 HydrophobicContact CD2-CB 4.46Å; L78-I128 HydrophobicContact CD2-CD1 3.83Å; L78-I128 HydrophobicContact CD2-CG1 3.7Å; L78-I128 HydrophobicContact CD2-CG2 4.06Å; I128-W130 HydrophobicContact CG2-CB 4.5Å; I128-W130 HydrophobicContact CG2-CD2 3.73Å; I128-W130 HydrophobicContact CG2-CE3 4.39Å; I128-W130 HydrophobicContact CG2-CG 3.76Å; I128-W130 HydrophobicContact CG2-CZ2 4.26Å; I128-T186 HydrophobicContact CD1-CG2 4.45Å; I128-I187 HydrophobicContact CD1-CB 4.18Å; I128-I187 HydrophobicContact CD1-CG1 4.32Å; I128-W199 HydrophobicContact CD1-CE3 4.32Å; I128-W199 HydrophobicContact CG1-CE3 4.34Å; I128-W199 HydrophobicContact CG1-CZ3 4.39Å; I128-G200 PolarHBondContact N-O 3.32Å; I128-F201 HydrophobicContact CB-CD1 3.71Å; I128-F201 HydrophobicContact CB-CE1 3.78Å; I128-F201 HydrophobicContact CB-CG 4.29Å; I128-F201 HydrophobicContact CB-CZ 4.41Å; I128-F201 HydrophobicContact CD1-CE1 4.02Å; I128-F201 HydrophobicContact CD1-CE2 4.22Å; I128-F201 HydrophobicContact CD1-CZ 3.8Å; I128-F201 HydrophobicContact CG2-CD1 3.72Å; I128-F201 HydrophobicContact CG2-CE1 3.47Å; I128-F201 VanDerWaalsContact CG2-CE1 3.47Å; I128-F201 HydrophobicContact CG2-CZ 4.33Å; I128-F201 CarbonylContact O-C 3.56Å; I128-F201 VanDerWaalsContact O-CA 3.29Å; I128-F201 WeakPolarHBondContact O-CA 3.41Å; I128-Y202 PolarHBondContact O-N 2.88Å
129	D	98.7	Very high	96	Very high	10 Å²	10	31.4 Å²	31.4	5%	0.053	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	82	-177.5	-171.5	8.1	0	0	0	110.7	I72 F73 Y74 E75 E131 Y202	I72-D129 HydrophobicContact CD1-CB 4.04Å; I72-D129 HydrophobicContact CG1-CB 4Å; F73-D129 PolarHBondContact O-N 3.45Å; Y74-D129 HydrophobicContact CD1-CB 3.91Å; Y74-D129 WeakPolarHBondContact CD1-OD2 3.33Å; Y74-D129 HydrophobicContact CE1-CB 4.38Å; Y74-D129 WeakPolarHBondContact CE1-OD2 3.33Å; E75-D129 WeakPolarHBondContact CG-O 3.3Å; E75-D129 PolarHBondContact N-O 3.43Å; D129-E131 VanDerWaalsContact OD1-CG 3.24Å; D129-E131 WeakPolarHBondContact OD1-CG 3.2Å; D129-Y202 WeakPolarHBondContact OD1-CD1 3.34Å
130	W	98.4	Very high	96.4	Very high	21 Å²	21	25.2 Å²	25.2	8%	0.08	14%	0.143	C	C	.	.			trans	-113.1	103.1	179	-73.7	1.8	0	0	0	110.3	L78 Y81 H105 I128 M183 T186 F201	L78-W130 WeakPolarHBondContact O-CZ2 3.4Å; Y81-W130 HydrophobicContact CD1-CD2 4.44Å; Y81-W130 HydrophobicContact CD1-CG 4.24Å; Y81-W130 AromaticContact CD2-CD2 3.39Å; Y81-W130 HydrophobicContact CD2-CD2 3.39Å; Y81-W130 AromaticContact CD2-CE2 3.71Å; Y81-W130 AromaticContact CD2-CE3 3.41Å; Y81-W130 HydrophobicContact CD2-CE3 3.41Å; Y81-W130 VanDerWaalsContact CD2-CE3 3.41Å; Y81-W130 AromaticContact CD2-CG 3.96Å; Y81-W130 HydrophobicContact CD2-CG 3.96Å; Y81-W130 HydrophobicContact CD2-CH2 4.08Å; Y81-W130 HydrophobicContact CD2-CZ2 4.06Å; Y81-W130 AromaticContact CD2-CZ3 3.76Å; Y81-W130 HydrophobicContact CD2-CZ3 3.76Å; Y81-W130 HydrophobicContact CE1-CB 4.14Å; Y81-W130 HydrophobicContact CE1-CG 4.12Å; Y81-W130 HydrophobicContact CE2-CB 4Å; Y81-W130 AromaticContact CE2-CD2 3.5Å; Y81-W130 HydrophobicContact CE2-CD2 3.5Å; Y81-W130 AromaticContact CE2-CE3 3.34Å; Y81-W130 HydrophobicContact CE2-CE3 3.34Å; Y81-W130 AromaticContact CE2-CG 3.81Å; Y81-W130 HydrophobicContact CE2-CG 3.81Å; Y81-W130 HydrophobicContact CE2-CZ3 4.03Å; Y81-W130 AromaticContact CG-CD2 3.91Å; Y81-W130 HydrophobicContact CG-CD2 3.91Å; Y81-W130 AromaticContact CG-CE2 3.9Å; Y81-W130 HydrophobicContact CG-CE3 4.36Å; Y81-W130 HydrophobicContact CG-CG 4.18Å; Y81-W130 HydrophobicContact CG-CZ2 4.38Å; Y81-W130 AromaticContact CZ-CG 3.94Å; H105-W130 AromaticContact CE1-CH2 3.38Å; H105-W130 WeakPolarHBondContact CE1-CH2 3.16Å; H105-W130 AromaticContact CE1-CZ2 3.5Å; H105-W130 VanDerWaalsContact CE1-CZ2 3.5Å; H105-W130 WeakPolarHBondContact CE1-CZ2 3.39Å; H105-W130 AromaticContact NE2-CH2 3.43Å; H105-W130 WeakPolarHBondContact NE2-CH2 3.28Å; H105-W130 AromaticContact NE2-CZ2 3.83Å; I128-W130 HydrophobicContact CG2-CB 4.5Å; I128-W130 HydrophobicContact CG2-CD2 3.73Å; I128-W130 HydrophobicContact CG2-CE3 4.39Å; I128-W130 HydrophobicContact CG2-CG 3.76Å; I128-W130 HydrophobicContact CG2-CZ2 4.26Å; W130-M183 HydrophobicContact CE3-CG 4.29Å; W130-M183 HydrophobicContact CZ3-CG 4.26Å; W130-T186 HydrophobicContact CH2-CG2 3.83Å; W130-T186 HydrophobicContact CZ2-CG2 4.08Å; W130-F201 HydrophobicContact CD2-CE1 4.22Å; W130-F201 AromaticContact CE3-CE1 3.76Å; W130-F201 HydrophobicContact CE3-CE1 3.76Å; W130-F201 HydrophobicContact CZ3-CE1 4.19Å
131	E	97.6	Very high	96.8	Very high	84 Å²	84	29.1 Å²	29.1	39%	0.393	16%	0.156	S	C	.	.			trans	-108.9	-16.1	-172.4	-61	-162.2	-110.1	0	0	113.4	E75 D129 W133 K144 Y202	E75-E131 PolarHBondContact OE1-N 2.97Å; D129-E131 VanDerWaalsContact OD1-CG 3.24Å; D129-E131 WeakPolarHBondContact OD1-CG 3.2Å; E131-W133 PolarHBondContact O-N 3.32Å; E131-K144 WeakPolarHBondContact O-CE 3.31Å; E131-K144 PolarHBondContact O-NZ 3.14Å; E131-Y202 HydrophobicContact CG-CD1 4.25Å; E131-Y202 HydrophobicContact CG-CE1 4.33Å
132	S	97.7	Very high	97.2	Very high	13 Å²	13	26.5 Å²	26.5	9%	0.091	15%	0.146	C	C	.	.	S	Bend	trans	-54.1	-50.6	-170.7	-81.4	0	0	0	0	113.5	E75 K83 K144 Y147	E75-S132 VanDerWaalsContact CD-OG 3.25Å; E75-S132 WeakPolarHBondContact OE1-CA 3.47Å; E75-S132 WeakPolarHBondContact OE1-CB 3.26Å; E75-S132 PolarHBondContact OE1-N 3.33Å; E75-S132 PolarHBondContact OE1-OG 3.47Å; E75-S132 PolarHBondContact OE2-OG 2.84Å; K83-S132 WeakPolarHBondContact CB-OG 3.26Å; S132-K144 WeakPolarHBondContact O-CD 3.48Å; S132-K144 PolarHBondContact O-NZ 2.82Å; S132-Y147 VanDerWaalsContact CB-OH 3.28Å; S132-Y147 WeakPolarHBondContact CB-OH 3.21Å; S132-Y147 WeakPolarHBondContact O-CE2 3.14Å
133	W	98.3	Very high	97.6	Very high	7 Å²	7	27.6 Å²	27.6	3%	0.027	15%	0.153	C	C	.	.			trans	-132.1	159.5	177.8	50.9	-100.9	0	0	0	111.9	Y81 P82 P97 E131 Y147 F175 F182 M183	Y81-W133 AromaticContact CD2-CZ2 3.98Å; Y81-W133 HydrophobicContact CD2-CZ2 3.98Å; Y81-W133 HydrophobicContact CE2-CD2 4.27Å; Y81-W133 AromaticContact CE2-CE2 3.29Å; Y81-W133 HydrophobicContact CE2-CH2 4.05Å; Y81-W133 AromaticContact CE2-CZ2 3.18Å; Y81-W133 HydrophobicContact CE2-CZ2 3.18Å; Y81-W133 AromaticContact CE2-NE1 3.36Å; Y81-W133 AromaticContact CZ-CD1 3.88Å; Y81-W133 AromaticContact CZ-CE2 3.58Å; Y81-W133 AromaticContact CZ-CZ2 3.97Å; Y81-W133 AromaticContact CZ-NE1 3.32Å; Y81-W133 VanDerWaalsContact CZ-NE1 3.32Å; Y81-W133 VanDerWaalsContact OH-CE2 3.31Å; Y81-W133 PolarHBondContact OH-N 3.12Å; Y81-W133 PolarHBondContact OH-NE1 3.32Å; P82-W133 PolarHBondContact O-NE1 2.82Å; P97-W133 HydrophobicContact CB-CZ2 4.31Å; P97-W133 HydrophobicContact CG-CD2 3.96Å; P97-W133 HydrophobicContact CG-CE3 4.35Å; P97-W133 HydrophobicContact CG-CH2 4.02Å; P97-W133 HydrophobicContact CG-CZ2 3.55Å; P97-W133 HydrophobicContact CG-CZ3 4.39Å; E131-W133 PolarHBondContact O-N 3.32Å; W133-Y147 HydrophobicContact CB-CD1 3.89Å; W133-Y147 HydrophobicContact CB-CD2 3.86Å; W133-Y147 HydrophobicContact CB-CE1 4.03Å; W133-Y147 HydrophobicContact CB-CE2 4.03Å; W133-Y147 HydrophobicContact CB-CG 3.83Å; W133-Y147 AromaticContact CD1-CD1 3.94Å; W133-Y147 AromaticContact CD1-CE1 3.58Å; W133-Y147 HydrophobicContact CG-CD1 4.24Å; W133-Y147 HydrophobicContact CG-CE1 4.2Å; W133-F175 HydrophobicContact CB-CZ 4.08Å; W133-F175 HydrophobicContact CD2-CZ 4.49Å; W133-F175 HydrophobicContact CE3-CZ 4.39Å; W133-F175 HydrophobicContact CG-CZ 4.39Å; W133-F182 HydrophobicContact CH2-CB 4.34Å; W133-M183 HydrophobicContact CH2-CG 3.91Å; W133-M183 HydrophobicContact CH2-SD 4.28Å; W133-M183 HydrophobicContact CZ3-CG 4.1Å; W133-M183 HydrophobicContact CZ3-SD 3.84Å
134	R	98.3	Very high	97.8	Very high	32 Å²	32	26 Å²	26	12%	0.121	14%	0.14	C	C	.	.			trans	-104.1	144.9	175	-63.3	-176.7	-172.5	95.9	11.3	110.6	L136 Q139 N140 W141 K144 F175	R134-L136 PolarHBondContact O-N 3.3Å; R134-L136 VanDerWaalsContact O-N 3.15Å; R134-Q139 HydrophobicContact CB-CB 4.13Å; R134-Q139 PolarHBondContact NH1-O 2.95Å; R134-N140 PolarHBondContact N-OD1 2.92Å; R134-N140 PolarHBondContact O-ND2 2.67Å; R134-W141 VanDerWaalsContact NH1-CZ2 3.29Å; R134-K144 HydrophobicContact CG-CD 4.4Å; R134-F175 VanDerWaalsContact O-CE1 3.31Å; R134-F175 WeakPolarHBondContact O-CE1 3.39Å
135	P	97.6	Very high	97.9	Very high	6 Å²	6	33 Å²	33	4%	0.039	17%	0.166	C	C	.	.	S	Bend	trans	-64.9	-19.5	-176.1	22.6	-33.1	0	0	0	114.4	M183 L232 W234	P135-M183 HydrophobicContact CB-SD 3.75Å; P135-M183 HydrophobicContact CG-CE 4.4Å; P135-M183 HydrophobicContact CG-SD 3.78Å; P135-L232 HydrophobicContact CB-CD2 4.06Å; P135-L232 HydrophobicContact CG-CD1 4.22Å; P135-L232 HydrophobicContact CG-CD2 3.68Å; P135-W234 HydrophobicContact CB-CH2 4.34Å; P135-W234 HydrophobicContact CB-CZ2 3.93Å; P135-W234 HydrophobicContact CG-CZ2 4.45Å
136	L	98.4	Very high	97.9	Very high	11 Å²	11	35.2 Å²	35.2	6%	0.058	18%	0.178	C	C	.	.	S	Bend	trans	-99.6	126.5	175.7	-58.6	-178.5	0	0	0	110.9	R134 D138 Q139 N140 Q228 K231 L232	R134-L136 PolarHBondContact O-N 3.3Å; R134-L136 VanDerWaalsContact O-N 3.15Å; L136-D138 VanDerWaalsContact C-N 3.29Å; L136-D138 PolarHBondContact O-N 2.95Å; L136-Q139 HydrophobicContact CB-CB 4.4Å; L136-Q139 HydrophobicContact CB-CG 4.12Å; L136-Q139 PolarHBondContact O-N 3.07Å; L136-N140 PolarHBondContact O-ND2 3.06Å; L136-Q228 HydrophobicContact CD1-CB 3.73Å; L136-Q228 HydrophobicContact CD1-CG 4.27Å; L136-Q228 WeakPolarHBondContact CD1-O 3.32Å; L136-K231 HydrophobicContact CD1-CB 4.46Å; L136-K231 HydrophobicContact CD2-CB 4.27Å; L136-L232 HydrophobicContact CD1-CD1 4.33Å; L136-L232 HydrophobicContact CD1-CD2 4.31Å; L136-L232 HydrophobicContact CD1-CG 4.08Å; L136-L232 HydrophobicContact CD2-CD2 3.8Å; L136-L232 HydrophobicContact CD2-CG 4.4Å; L136-L232 HydrophobicContact CG-CD1 4.49Å; L136-L232 HydrophobicContact CG-CD2 3.86Å; L136-L232 HydrophobicContact CG-CG 4.18Å
137	W	98.6	Very high	97.9	Very high	26 Å²	26	35.5 Å²	35.5	10%	0.098	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-50.6	-49.1	-179.9	176.6	-88.9	0	0	0	112.1	Q139 N140 Q148 I152 A171 K172 F175 E176	W137-Q139 PolarHBondContact O-N 3.5Å; W137-Q139 VanDerWaalsContact O-N 3.1Å; W137-N140 PolarHBondContact O-N 3.12Å; W137-Q148 HydrophobicContact CD2-CG 4.05Å; W137-Q148 HydrophobicContact CE3-CG 4.26Å; W137-Q148 VanDerWaalsContact CH2-CA 3.46Å; W137-Q148 HydrophobicContact CH2-CB 3.69Å; W137-Q148 HydrophobicContact CH2-CG 4.04Å; W137-Q148 WeakPolarHBondContact CH2-O 3.21Å; W137-Q148 HydrophobicContact CZ2-CB 3.62Å; W137-Q148 HydrophobicContact CZ2-CG 3.78Å; W137-Q148 HydrophobicContact CZ3-CB 4.26Å; W137-Q148 HydrophobicContact CZ3-CG 4.27Å; W137-Q148 PolarHBondContact O-NE2 2.92Å; W137-I152 HydrophobicContact CH2-CD1 4.28Å; W137-I152 HydrophobicContact CH2-CG1 4.06Å; W137-I152 HydrophobicContact CZ2-CD1 4.2Å; W137-I152 HydrophobicContact CZ2-CG1 4.39Å; W137-A171 HydrophobicContact CH2-CB 3.95Å; W137-A171 HydrophobicContact CZ3-CB 4.22Å; W137-K172 HydrophobicContact CB-CB 4.46Å; W137-K172 HydrophobicContact CB-CD 3.99Å; W137-K172 HydrophobicContact CB-CG 3.74Å; W137-K172 HydrophobicContact CD2-CB 3.9Å; W137-K172 HydrophobicContact CD2-CG 4.15Å; W137-K172 HydrophobicContact CE3-CB 4.14Å; W137-K172 HydrophobicContact CG-CB 4.05Å; W137-K172 HydrophobicContact CG-CD 3.89Å; W137-K172 HydrophobicContact CG-CG 3.77Å; W137-F175 HydrophobicContact CE3-CB 3.96Å; W137-F175 HydrophobicContact CE3-CD1 4.05Å; W137-F175 HydrophobicContact CE3-CG 4.06Å; W137-F175 HydrophobicContact CZ3-CB 4.09Å; W137-F175 HydrophobicContact CZ3-CG 4.37Å; W137-E176 HydrophobicContact CB-CG 4.03Å; W137-E176 VanDerWaalsContact CB-OE1 3.25Å; W137-E176 WeakPolarHBondContact CB-OE1 3.35Å; W137-E176 PolarHBondContact N-OE1 3.06Å
138	D	97.6	Very high	97.9	Very high	68 Å²	68	37 Å²	37	36%	0.364	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	-70.2	-8.9	-173.9	-56.6	-34.2	0	0	0	113.2	L136 K172	L136-D138 VanDerWaalsContact C-N 3.29Å; L136-D138 PolarHBondContact O-N 2.95Å; D138-K172 IonicContact OD1-NZ 3.22Å; D138-K172 PolarHBondContact OD1-NZ 3.25Å; D138-K172 IonicContact OD2-NZ 3.45Å; D138-K172 PolarHBondContact OD2-NZ 3.32Å
139	Q	97.3	Very high	97.8	Very high	4 Å²	4	43.6 Å²	43.6	2%	0.019	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-96.6	-6.7	174.6	-64.4	-174.5	-26.2	0	0	112.7	R134 L136 W137 W141 Q228	R134-Q139 HydrophobicContact CB-CB 4.13Å; R134-Q139 PolarHBondContact NH1-O 2.95Å; L136-Q139 HydrophobicContact CB-CB 4.4Å; L136-Q139 HydrophobicContact CB-CG 4.12Å; L136-Q139 PolarHBondContact O-N 3.07Å; W137-Q139 PolarHBondContact O-N 3.5Å; W137-Q139 VanDerWaalsContact O-N 3.1Å; Q139-W141 PolarHBondContact O-N 3.22Å; Q139-Q228 VanDerWaalsContact NE2-OE1 3.11Å
140	N	98.2	Very high	97.8	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.224	C	C	.	.			trans	-83.9	56.1	177.5	-71.8	-76.5	0	0	0	112.3	R134 L136 W137 K144 R145 Q148 F175	R134-N140 PolarHBondContact N-OD1 2.92Å; R134-N140 PolarHBondContact O-ND2 2.67Å; L136-N140 PolarHBondContact O-ND2 3.06Å; W137-N140 PolarHBondContact O-N 3.12Å; N140-K144 HydrophobicContact CB-CB 4.09Å; N140-K144 CarbonylContact O-C 3.55Å; N140-R145 WeakPolarHBondContact O-CA 3.4Å; N140-R145 PolarHBondContact O-N 3.13Å; N140-Q148 HydrophobicContact CB-CG 4.15Å; N140-F175 WeakPolarHBondContact ND2-CE1 3.19Å
141	W	96.9	Very high	97.8	Very high	106 Å²	106	44.3 Å²	44.3	40%	0.402	22%	0.22	S	C	.	.			trans	-85.4	-172.3	174.6	43.7	-138.5	0	0	0	112.5	R134 Q139 S143 K144 F208	R134-W141 VanDerWaalsContact NH1-CZ2 3.29Å; Q139-W141 PolarHBondContact O-N 3.22Å; W141-S143 PolarHBondContact O-N 2.86Å; W141-K144 WeakPolarHBondContact O-CA 3.29Å; W141-K144 WeakPolarHBondContact O-CB 3.49Å; W141-K144 PolarHBondContact O-N 3.02Å; W141-F208 HydrophobicContact CH2-CD1 4.27Å; W141-F208 AromaticContact CH2-CE1 3.88Å; W141-F208 HydrophobicContact CH2-CE1 3.88Å; W141-F208 AromaticContact CZ2-CD1 3.63Å; W141-F208 HydrophobicContact CZ2-CD1 3.63Å; W141-F208 AromaticContact CZ2-CE1 3.37Å; W141-F208 HydrophobicContact CZ2-CE1 3.37Å; W141-F208 HydrophobicContact CZ2-CZ 4.17Å
142	G	96	Very high	97.9	Very high	50 Å²	50	43.1 Å²	43.1	52%	0.515	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	55.3	-134.7	176.1	0	0	0	0	0	112.3	K144 R145	G142-K144 PolarHBondContact O-N 2.88Å; G142-K144 VanDerWaalsContact O-N 3.16Å; G142-R145 WeakPolarHBondContact O-CB 3.49Å; G142-R145 WeakPolarHBondContact O-CG 3.45Å; G142-R145 PolarHBondContact O-N 3.13Å; G142-R145 VanDerWaalsContact O-N 3.16Å
143	S	95.8	Very high	97.9	Very high	79 Å²	79	45.8 Å²	45.8	55%	0.552	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	-61.7	-19	175.3	56.7	0	0	0	0	113.9	W141 R145	W141-S143 PolarHBondContact O-N 2.86Å; S143-R145 VanDerWaalsContact C-N 3.31Å; S143-R145 PolarHBondContact O-N 2.91Å
144	K	97.7	Very high	97.8	Very high	30 Å²	30	47 Å²	47	13%	0.13	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-83.8	-1.8	178.6	-52.5	-167.8	-176.2	-54.4	0	113.7	E131 S132 R134 N140 W141 G142 I146 Y147	E131-K144 WeakPolarHBondContact O-CE 3.31Å; E131-K144 PolarHBondContact O-NZ 3.14Å; S132-K144 WeakPolarHBondContact O-CD 3.48Å; S132-K144 PolarHBondContact O-NZ 2.82Å; R134-K144 HydrophobicContact CG-CD 4.4Å; N140-K144 HydrophobicContact CB-CB 4.09Å; N140-K144 CarbonylContact O-C 3.55Å; W141-K144 WeakPolarHBondContact O-CA 3.29Å; W141-K144 WeakPolarHBondContact O-CB 3.49Å; W141-K144 PolarHBondContact O-N 3.02Å; G142-K144 PolarHBondContact O-N 2.88Å; G142-K144 VanDerWaalsContact O-N 3.16Å; K144-I146 PolarHBondContact O-N 2.9Å; K144-I146 VanDerWaalsContact O-N 3.09Å; K144-Y147 HydrophobicContact CB-CD2 4.08Å; K144-Y147 HydrophobicContact CB-CE2 4.48Å; K144-Y147 WeakPolarHBondContact O-CD2 3.15Å; K144-Y147 PolarHBondContact O-N 3.27Å; K144-Y147 VanDerWaalsContact O-N 3.11Å
145	R	97.8	Very high	97.8	Very high	145 Å²	145	45.5 Å²	45.5	55%	0.547	23%	0.232	S	C	.	.	H	α-helix	trans	-58.7	-21.9	172.4	-75	-178	-179.8	-93.7	9.4	112.8	N140 G142 S143 Y147 Q148 K149	N140-R145 WeakPolarHBondContact O-CA 3.4Å; N140-R145 PolarHBondContact O-N 3.13Å; G142-R145 WeakPolarHBondContact O-CB 3.49Å; G142-R145 WeakPolarHBondContact O-CG 3.45Å; G142-R145 PolarHBondContact O-N 3.13Å; G142-R145 VanDerWaalsContact O-N 3.16Å; S143-R145 VanDerWaalsContact C-N 3.31Å; S143-R145 PolarHBondContact O-N 2.91Å; R145-Y147 PolarHBondContact O-N 3.27Å; R145-Q148 WeakPolarHBondContact O-CB 3.15Å; R145-Q148 PolarHBondContact O-N 2.78Å; R145-Q148 VanDerWaalsContact O-N 3.15Å; R145-K149 PolarHBondContact O-N 2.95Å
146	I	98	Very high	97.8	Very high	48 Å²	48	49.2 Å²	49.2	25%	0.246	25%	0.251	C	S	.	.	H	α-helix	trans	-56.9	-37.5	175	-172.1	56.7	0	0	0	112.4	V84 I86 K144 Q148 K149 L150	V84-I146 HydrophobicContact CG1-CG1 4.25Å; I86-I146 HydrophobicContact CG2-CG2 3.98Å; K144-I146 PolarHBondContact O-N 2.9Å; K144-I146 VanDerWaalsContact O-N 3.09Å; I146-Q148 VanDerWaalsContact C-N 3.31Å; I146-Q148 PolarHBondContact O-N 3.28Å; I146-K149 PolarHBondContact O-N 3.05Å; I146-L150 HydrophobicContact CD1-CD1 4.31Å; I146-L150 HydrophobicContact CD1-CG 4.08Å; I146-L150 HydrophobicContact CG1-CD1 3.99Å; I146-L150 HydrophobicContact CG1-CG 4.23Å; I146-L150 WeakPolarHBondContact O-CG 3.24Å; I146-L150 PolarHBondContact O-N 3.48Å
147	Y	98.6	Very high	97.6	Very high	6 Å²	6	55.6 Å²	55.6	2%	0.024	28%	0.28	C	S	.	.	H	α-helix	trans	-66.4	-35.3	178.7	-63.4	-80.1	0	0	0	111.9	V84 G95 I96 S132 W133 K144 R145 S151	V84-Y147 HydrophobicContact CB-CE1 4.29Å; V84-Y147 HydrophobicContact CG2-CE1 3.93Å; V84-Y147 PolarHBondContact N-OH 3.23Å; V84-Y147 PolarHBondContact O-OH 3.39Å; G95-Y147 VanDerWaalsContact O-CE1 3.28Å; G95-Y147 WeakPolarHBondContact O-CE1 3.45Å; I96-Y147 HydrophobicContact CG2-CD1 4.15Å; S132-Y147 VanDerWaalsContact CB-OH 3.28Å; S132-Y147 WeakPolarHBondContact CB-OH 3.21Å; S132-Y147 WeakPolarHBondContact O-CE2 3.14Å; W133-Y147 HydrophobicContact CB-CD1 3.89Å; W133-Y147 HydrophobicContact CB-CD2 3.86Å; W133-Y147 HydrophobicContact CB-CE1 4.03Å; W133-Y147 HydrophobicContact CB-CE2 4.03Å; W133-Y147 HydrophobicContact CB-CG 3.83Å; W133-Y147 AromaticContact CD1-CD1 3.94Å; W133-Y147 AromaticContact CD1-CE1 3.58Å; W133-Y147 HydrophobicContact CG-CD1 4.24Å; W133-Y147 HydrophobicContact CG-CE1 4.2Å; K144-Y147 HydrophobicContact CB-CD2 4.08Å; K144-Y147 HydrophobicContact CB-CE2 4.48Å; K144-Y147 WeakPolarHBondContact O-CD2 3.15Å; K144-Y147 PolarHBondContact O-N 3.27Å; K144-Y147 VanDerWaalsContact O-N 3.11Å; R145-Y147 PolarHBondContact O-N 3.27Å; Y147-S151 VanDerWaalsContact O-CB 3.26Å; Y147-S151 WeakPolarHBondContact O-CB 3.44Å; Y147-S151 PolarHBondContact O-N 3.32Å; Y147-S151 PolarHBondContact O-OG 3.01Å
148	Q	98.6	Very high	97.4	Very high	30 Å²	30	59.7 Å²	59.7	14%	0.14	30%	0.303	C	S	.	.	H	α-helix	trans	-66.6	-45.9	173.5	-62.5	177.8	-24.9	0	0	111	W137 N140 R145 I146 S151 I152	W137-Q148 HydrophobicContact CD2-CG 4.05Å; W137-Q148 HydrophobicContact CE3-CG 4.26Å; W137-Q148 VanDerWaalsContact CH2-CA 3.46Å; W137-Q148 HydrophobicContact CH2-CB 3.69Å; W137-Q148 HydrophobicContact CH2-CG 4.04Å; W137-Q148 WeakPolarHBondContact CH2-O 3.21Å; W137-Q148 HydrophobicContact CZ2-CB 3.62Å; W137-Q148 HydrophobicContact CZ2-CG 3.78Å; W137-Q148 HydrophobicContact CZ3-CB 4.26Å; W137-Q148 HydrophobicContact CZ3-CG 4.27Å; W137-Q148 PolarHBondContact O-NE2 2.92Å; N140-Q148 HydrophobicContact CB-CG 4.15Å; R145-Q148 WeakPolarHBondContact O-CB 3.15Å; R145-Q148 PolarHBondContact O-N 2.78Å; R145-Q148 VanDerWaalsContact O-N 3.15Å; I146-Q148 VanDerWaalsContact C-N 3.31Å; I146-Q148 PolarHBondContact O-N 3.28Å; Q148-S151 PolarHBondContact O-N 3.37Å; Q148-I152 WeakPolarHBondContact O-CG1 3.04Å; Q148-I152 PolarHBondContact O-N 2.85Å
149	K	98.1	Very high	97.2	Very high	139 Å²	139	57.9 Å²	57.9	60%	0.604	30%	0.298	S	S	*	.	H	α-helix	trans	-59.8	-52	178.5	-69.3	-179.3	177.4	-173.9	0	111.7	R145 I146 S151 I152 T153	R145-K149 PolarHBondContact O-N 2.95Å; I146-K149 PolarHBondContact O-N 3.05Å; K149-S151 VanDerWaalsContact C-N 3.3Å; K149-S151 PolarHBondContact O-N 3.02Å; K149-I152 PolarHBondContact O-N 2.96Å; K149-I152 VanDerWaalsContact O-N 3.16Å; K149-T153 PolarHBondContact O-N 3.01Å; K149-T153 PolarHBondContact O-OG1 3Å
150	L	98.3	Very high	96.9	Very high	47 Å²	47	61.2 Å²	61.2	25%	0.246	32%	0.32	C	S	.	.	H	α-helix	trans	-61.9	-38.2	179.5	-69.3	175.5	0	0	0	112.2	V84 I96 I146 T153 H154	V84-L150 HydrophobicContact CG2-CD1 3.61Å; I96-L150 HydrophobicContact CD1-CB 4.49Å; I96-L150 HydrophobicContact CG2-CB 3.67Å; I96-L150 HydrophobicContact CG2-CD1 4.23Å; I146-L150 HydrophobicContact CD1-CD1 4.31Å; I146-L150 HydrophobicContact CD1-CG 4.08Å; I146-L150 HydrophobicContact CG1-CD1 3.99Å; I146-L150 HydrophobicContact CG1-CG 4.23Å; I146-L150 WeakPolarHBondContact O-CG 3.24Å; I146-L150 PolarHBondContact O-N 3.48Å; L150-T153 PolarHBondContact O-N 3Å; L150-H154 WeakPolarHBondContact O-CB 3.45Å; L150-H154 PolarHBondContact O-N 3.2Å
151	S	98.7	Very high	96.7	Very high	0 Å²	0	70.8 Å²	70.8	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-65.7	-38.3	175.9	-60.7	0	0	0	0	112.6	Q98 Y147 Q148 K149 A155 A171 F175	Q98-S151 PolarHBondContact NE2-OG 3.49Å; Y147-S151 VanDerWaalsContact O-CB 3.26Å; Y147-S151 WeakPolarHBondContact O-CB 3.44Å; Y147-S151 PolarHBondContact O-N 3.32Å; Y147-S151 PolarHBondContact O-OG 3.01Å; Q148-S151 PolarHBondContact O-N 3.37Å; K149-S151 VanDerWaalsContact C-N 3.3Å; K149-S151 PolarHBondContact O-N 3.02Å; S151-A155 WeakPolarHBondContact O-CB 3.5Å; S151-A155 PolarHBondContact O-N 3.36Å; S151-A171 WeakPolarHBondContact O-CB 3.34Å; S151-F175 WeakPolarHBondContact OG-CD2 3.44Å
152	I	98.6	Very high	96.6	Very high	58 Å²	58	69 Å²	69	30%	0.297	36%	0.36	S	S	.	.	H	α-helix	trans	-66	-46	174.6	-73.2	163.2	0	0	0	110.4	W137 Q148 K149 H154 A155 L156 I167 A171	W137-I152 HydrophobicContact CH2-CD1 4.28Å; W137-I152 HydrophobicContact CH2-CG1 4.06Å; W137-I152 HydrophobicContact CZ2-CD1 4.2Å; W137-I152 HydrophobicContact CZ2-CG1 4.39Å; Q148-I152 WeakPolarHBondContact O-CG1 3.04Å; Q148-I152 PolarHBondContact O-N 2.85Å; K149-I152 PolarHBondContact O-N 2.96Å; K149-I152 VanDerWaalsContact O-N 3.16Å; I152-H154 VanDerWaalsContact C-N 3.31Å; I152-H154 PolarHBondContact O-N 3.33Å; I152-A155 PolarHBondContact O-N 2.79Å; I152-L156 WeakPolarHBondContact O-CB 3.31Å; I152-L156 PolarHBondContact O-N 2.94Å; I152-I167 HydrophobicContact CG2-CG2 4Å; I152-A171 HydrophobicContact CG1-CB 3.93Å
153	T	97.8	Very high	96.6	Very high	69 Å²	69	69.8 Å²	69.8	42%	0.423	36%	0.357	S	S	.	.	H	α-helix	trans	-58.5	-44.5	176.2	-60	0	0	0	0	111.4	K149 L150 L156 Q157	K149-T153 PolarHBondContact O-N 3.01Å; K149-T153 PolarHBondContact O-OG1 3Å; L150-T153 PolarHBondContact O-N 3Å; T153-L156 PolarHBondContact O-N 3.15Å; T153-Q157 WeakPolarHBondContact O-CG 3.48Å; T153-Q157 PolarHBondContact O-N 3.44Å
154	H	97.2	Very high	96.6	Very high	33 Å²	33	69.7 Å²	69.7	15%	0.153	36%	0.362	C	S	.	.	H	α-helix	trans	-60.5	-48.1	176.1	174.9	70.9	0	0	0	112.3	I96 N99 L150 I152 L156 Q157 L158	I96-H154 HydrophobicContact CD1-CB 3.95Å; N99-H154 PolarHBondContact OD1-CE1 3.38Å; N99-H154 PolarHBondContact OD1-ND1 2.88Å; N99-H154 VanDerWaalsContact OD1-ND1 3.08Å; L150-H154 WeakPolarHBondContact O-CB 3.45Å; L150-H154 PolarHBondContact O-N 3.2Å; I152-H154 VanDerWaalsContact C-N 3.31Å; I152-H154 PolarHBondContact O-N 3.33Å; H154-L156 VanDerWaalsContact C-N 3.29Å; H154-L156 PolarHBondContact O-N 3.29Å; H154-Q157 PolarHBondContact O-N 3.1Å; H154-L158 WeakPolarHBondContact NE2-CD1 3.31Å; H154-L158 PolarHBondContact O-N 3.07Å; H154-L158 VanDerWaalsContact O-N 3.16Å
155	A	97.6	Very high	96.6	Very high	1 Å²	1	75.5 Å²	75.5	1%	0.008	39%	0.387	C	S	.	.	H	α-helix	trans	-62.6	-36.9	177.9	0	0	0	0	0	112.3	S151 I152 L158 A159 I167 T170 A171	S151-A155 WeakPolarHBondContact O-CB 3.5Å; S151-A155 PolarHBondContact O-N 3.36Å; I152-A155 PolarHBondContact O-N 2.79Å; A155-L158 PolarHBondContact O-N 3.01Å; A155-A159 PolarHBondContact O-N 3.14Å; A155-A159 VanDerWaalsContact O-N 3.15Å; A155-I167 HydrophobicContact CB-CG2 4.11Å; A155-T170 HydrophobicContact CB-CG2 4.3Å; A155-A171 HydrophobicContact CB-CB 4Å
156	L	97.2	Very high	96.6	Very high	84 Å²	84	74.2 Å²	74.2	44%	0.44	39%	0.385	S	S	.	.	H	α-helix	trans	-64.8	-41.3	175.7	-174.7	69	0	0	0	111.9	I152 T153 H154 L158 A159 P160 I167	I152-L156 WeakPolarHBondContact O-CB 3.31Å; I152-L156 PolarHBondContact O-N 2.94Å; T153-L156 PolarHBondContact O-N 3.15Å; H154-L156 VanDerWaalsContact C-N 3.29Å; H154-L156 PolarHBondContact O-N 3.29Å; L156-L158 VanDerWaalsContact C-N 3.3Å; L156-L158 PolarHBondContact O-N 3.21Å; L156-A159 CarbonylContact O-C 3.33Å; L156-A159 PolarHBondContact O-N 3.33Å; L156-P160 WeakPolarHBondContact O-CA 3.26Å; L156-P160 WeakPolarHBondContact O-CD 3.05Å; L156-P160 VanDerWaalsContact O-N 3.09Å; L156-I167 HydrophobicContact CB-CG2 4.39Å; L156-I167 HydrophobicContact CD1-CD1 4.37Å; L156-I167 HydrophobicContact CD1-CG1 4.24Å
157	Q	95.6	Very high	96.6	Very high	145 Å²	145	72.2 Å²	72.2	68%	0.678	38%	0.375	S	S	*	.	H	α-helix	trans	-63.1	-36.9	177	-74.2	171.3	-21	0	0	112.3	T153 H154	T153-Q157 WeakPolarHBondContact O-CG 3.48Å; T153-Q157 PolarHBondContact O-N 3.44Å; H154-Q157 PolarHBondContact O-N 3.1Å
158	L	93.6	Very high	96.5	Very high	111 Å²	111	74.5 Å²	74.5	58%	0.581	39%	0.392	S	S	*	.	H	α-helix	trans	-75.3	-27.3	178.9	-68.4	179.3	0	0	0	113.6	H154 A155 L156	H154-L158 WeakPolarHBondContact NE2-CD1 3.31Å; H154-L158 PolarHBondContact O-N 3.07Å; H154-L158 VanDerWaalsContact O-N 3.16Å; A155-L158 PolarHBondContact O-N 3.01Å; L156-L158 VanDerWaalsContact C-N 3.3Å; L156-L158 PolarHBondContact O-N 3.21Å
159	A	93.3	Very high	96.5	Very high	31 Å²	31	78.5 Å²	78.5	26%	0.256	41%	0.411	S	S	.	.			trans	-148.5	65.4	-172.9	0	0	0	0	0	112.2	A155 L156 F161 L162 I167	A155-A159 PolarHBondContact O-N 3.14Å; A155-A159 VanDerWaalsContact O-N 3.15Å; L156-A159 CarbonylContact O-C 3.33Å; L156-A159 PolarHBondContact O-N 3.33Å; A159-F161 PolarHBondContact O-N 3Å; A159-L162 HydrophobicContact CB-CD1 3.56Å; A159-L162 HydrophobicContact CB-CG 3.84Å; A159-L162 PolarHBondContact O-N 3Å; A159-L162 VanDerWaalsContact O-N 3.13Å; A159-I167 WeakPolarHBondContact O-CD1 3.24Å
160	P	91.6	Very high	96.5	Very high	73 Å²	73	74.3 Å²	74.3	47%	0.474	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-20.8	-168.2	24.7	-34.8	0	0	0	114.2	L156	L156-P160 WeakPolarHBondContact O-CA 3.26Å; L156-P160 WeakPolarHBondContact O-CD 3.05Å; L156-P160 VanDerWaalsContact O-N 3.09Å
161	F	94.2	Very high	96.5	Very high	201 Å²	201	72 Å²	72	88%	0.882	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-4.2	-178.1	-50.3	-69.1	0	0	0	114	A159	A159-F161 PolarHBondContact O-N 3Å
162	L	94.3	Very high	96.5	Very high	69 Å²	69	74.7 Å²	74.7	36%	0.361	40%	0.397	S	S	.	.	S	Bend	trans	-78.5	151.3	177.8	-64.8	-176.8	0	0	0	111.9	A159 K166 I167	A159-L162 HydrophobicContact CB-CD1 3.56Å; A159-L162 HydrophobicContact CB-CG 3.84Å; A159-L162 PolarHBondContact O-N 3Å; A159-L162 VanDerWaalsContact O-N 3.13Å; L162-K166 HydrophobicContact CB-CB 4.14Å; L162-K166 HydrophobicContact CD1-CB 4.43Å; L162-K166 HydrophobicContact CD2-CD 4.14Å; L162-I167 HydrophobicContact CB-CD1 3.81Å; L162-I167 HydrophobicContact CB-CG1 4.09Å; L162-I167 HydrophobicContact CD1-CD1 4.36Å
163	S	96.8	Very high	96.5	Very high	66 Å²	66	75.6 Å²	75.6	46%	0.462	41%	0.408	S	S	.	.			trans	-64.2	151.8	174.4	70.4	0	0	0	0	112.1	K165 K166 I167	S163-K165 PolarHBondContact O-N 3.44Å; S163-K166 WeakPolarHBondContact O-CA 3.4Å; S163-K166 PolarHBondContact O-N 2.05Å; S163-K166 PolarHBondContact OG-N 3.44Å; S163-I167 PolarHBondContact O-N 2.55Å
164	A	96	Very high	96.5	Very high	78 Å²	78	74.9 Å²	74.9	65%	0.645	40%	0.4	S	S	*	.	H	α-helix	trans	-53	-34.1	178.9	0	0	0	0	0	113.5	S168	A164-S168 WeakPolarHBondContact O-CB 3.37Å; A164-S168 PolarHBondContact O-N 3.15Å; A164-S168 PolarHBondContact O-OG 3.37Å
165	K	97.1	Very high	96.6	Very high	151 Å²	151	73.4 Å²	73.4	66%	0.657	39%	0.393	S	S	*	.	H	α-helix	trans	-65	-47.7	174.5	-175.1	178.3	179.2	-179	0	111.7	S163 S168 Q169	S163-K165 PolarHBondContact O-N 3.44Å; K165-S168 PolarHBondContact O-N 2.88Å; K165-Q169 VanDerWaalsContact O-CG 3.31Å; K165-Q169 WeakPolarHBondContact O-CG 3.11Å; K165-Q169 PolarHBondContact O-N 2.97Å
166	K	97.4	Very high	96.7	Very high	118 Å²	118	75.9 Å²	75.9	51%	0.513	40%	0.404	S	S	.	.	H	α-helix	trans	-65.1	-39.9	177.5	-75.9	-177.7	177.7	-178.7	0	111.6	L162 S163 Q169 T170	L162-K166 HydrophobicContact CB-CB 4.14Å; L162-K166 HydrophobicContact CD1-CB 4.43Å; L162-K166 HydrophobicContact CD2-CD 4.14Å; S163-K166 WeakPolarHBondContact O-CA 3.4Å; S163-K166 PolarHBondContact O-N 2.05Å; S163-K166 PolarHBondContact OG-N 3.44Å; K166-Q169 PolarHBondContact O-N 3.1Å; K166-T170 WeakPolarHBondContact O-CB 3.32Å; K166-T170 PolarHBondContact O-N 3.05Å; K166-T170 PolarHBondContact O-OG1 2.98Å
167	I	98.2	Very high	96.8	Very high	6 Å²	6	77 Å²	77	3%	0.031	41%	0.41	C	S	.	.	H	α-helix	trans	-59	-49.9	173.7	-67.7	-59.1	0	0	0	110.9	I152 A155 L156 A159 L162 S163 Q169 T170 A171	I152-I167 HydrophobicContact CG2-CG2 4Å; A155-I167 HydrophobicContact CB-CG2 4.11Å; L156-I167 HydrophobicContact CB-CG2 4.39Å; L156-I167 HydrophobicContact CD1-CD1 4.37Å; L156-I167 HydrophobicContact CD1-CG1 4.24Å; A159-I167 WeakPolarHBondContact O-CD1 3.24Å; L162-I167 HydrophobicContact CB-CD1 3.81Å; L162-I167 HydrophobicContact CB-CG1 4.09Å; L162-I167 HydrophobicContact CD1-CD1 4.36Å; S163-I167 PolarHBondContact O-N 2.55Å; I167-Q169 VanDerWaalsContact C-N 3.34Å; I167-Q169 PolarHBondContact O-N 2.84Å; I167-T170 PolarHBondContact O-N 3.09Å; I167-A171 WeakPolarHBondContact O-CB 3.35Å; I167-A171 PolarHBondContact O-N 3.13Å
168	S	97.5	Very high	96.9	Very high	54 Å²	54	70.7 Å²	70.7	38%	0.378	38%	0.383	S	S	.	.	H	α-helix	trans	-62.8	-39.7	-179.6	-60.6	0	0	0	0	112.5	A164 K165 K172	A164-S168 WeakPolarHBondContact O-CB 3.37Å; A164-S168 PolarHBondContact O-N 3.15Å; A164-S168 PolarHBondContact O-OG 3.37Å; K165-S168 PolarHBondContact O-N 2.88Å; S168-K172 WeakPolarHBondContact O-CB 3.41Å; S168-K172 PolarHBondContact O-N 3.35Å; S168-K172 VanDerWaalsContact O-N 3.07Å
169	Q	97.8	Very high	97.2	Very high	114 Å²	114	65.4 Å²	65.4	53%	0.533	36%	0.355	S	S	.	.	H	α-helix	trans	-65.2	-42.6	175.1	-73.6	172.7	-26.3	0	0	111.9	K165 K166 I167 K172 S173	K165-Q169 VanDerWaalsContact O-CG 3.31Å; K165-Q169 WeakPolarHBondContact O-CG 3.11Å; K165-Q169 PolarHBondContact O-N 2.97Å; K166-Q169 PolarHBondContact O-N 3.1Å; I167-Q169 VanDerWaalsContact C-N 3.34Å; I167-Q169 PolarHBondContact O-N 2.84Å; Q169-K172 PolarHBondContact O-N 3.34Å; Q169-S173 WeakPolarHBondContact O-CB 3.43Å; Q169-S173 PolarHBondContact O-N 2.94Å
170	T	97.9	Very high	97.4	Very high	51 Å²	51	68.7 Å²	68.7	31%	0.313	36%	0.361	S	S	.	.	H	α-helix	trans	-63.9	-48.5	177.6	-57.7	0	0	0	0	110.9	A155 K166 I167 K172 S173 Q174	A155-T170 HydrophobicContact CB-CG2 4.3Å; K166-T170 WeakPolarHBondContact O-CB 3.32Å; K166-T170 PolarHBondContact O-N 3.05Å; K166-T170 PolarHBondContact O-OG1 2.98Å; I167-T170 PolarHBondContact O-N 3.09Å; T170-K172 VanDerWaalsContact C-N 3.32Å; T170-K172 PolarHBondContact O-N 3.48Å; T170-S173 PolarHBondContact O-N 3.16Å; T170-Q174 HydrophobicContact CG2-CG 4.27Å; T170-Q174 WeakPolarHBondContact O-CB 3.39Å; T170-Q174 WeakPolarHBondContact O-CG 3.45Å; T170-Q174 PolarHBondContact O-N 3.48Å
171	A	98.6	Very high	97.8	Very high	0 Å²	0	71.8 Å²	71.8	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-57.1	-44.3	177	0	0	0	0	0	112.1	W137 S151 I152 A155 I167 F175	W137-A171 HydrophobicContact CH2-CB 3.95Å; W137-A171 HydrophobicContact CZ3-CB 4.22Å; S151-A171 WeakPolarHBondContact O-CB 3.34Å; I152-A171 HydrophobicContact CG1-CB 3.93Å; A155-A171 HydrophobicContact CB-CB 4Å; I167-A171 WeakPolarHBondContact O-CB 3.35Å; I167-A171 PolarHBondContact O-N 3.13Å; A171-F175 WeakPolarHBondContact O-CB 3.44Å; A171-F175 PolarHBondContact O-N 3.44Å
172	K	98.7	Very high	98	Very high	56 Å²	56	62.4 Å²	62.4	24%	0.243	32%	0.322	C	S	.	.	H	α-helix	trans	-60.3	-51.1	175.1	174	165.3	-174.8	163.1	0	111.8	W137 D138 S168 Q169 T170 F175 E176	W137-K172 HydrophobicContact CB-CB 4.46Å; W137-K172 HydrophobicContact CB-CD 3.99Å; W137-K172 HydrophobicContact CB-CG 3.74Å; W137-K172 HydrophobicContact CD2-CB 3.9Å; W137-K172 HydrophobicContact CD2-CG 4.15Å; W137-K172 HydrophobicContact CE3-CB 4.14Å; W137-K172 HydrophobicContact CG-CB 4.05Å; W137-K172 HydrophobicContact CG-CD 3.89Å; W137-K172 HydrophobicContact CG-CG 3.77Å; D138-K172 IonicContact OD1-NZ 3.22Å; D138-K172 PolarHBondContact OD1-NZ 3.25Å; D138-K172 IonicContact OD2-NZ 3.45Å; D138-K172 PolarHBondContact OD2-NZ 3.32Å; S168-K172 WeakPolarHBondContact O-CB 3.41Å; S168-K172 PolarHBondContact O-N 3.35Å; S168-K172 VanDerWaalsContact O-N 3.07Å; Q169-K172 PolarHBondContact O-N 3.34Å; T170-K172 VanDerWaalsContact C-N 3.32Å; T170-K172 PolarHBondContact O-N 3.48Å; K172-F175 PolarHBondContact O-N 3.16Å; K172-E176 WeakPolarHBondContact O-CG 3.47Å; K172-E176 PolarHBondContact O-N 3.45Å
173	S	98.4	Very high	98.2	Very high	76 Å²	76	59.4 Å²	59.4	53%	0.531	31%	0.306	S	S	.	.	H	α-helix	trans	-60.4	-48.9	-178.5	-174.9	0	0	0	0	111.9	Q169 T170 F175 L177	Q169-S173 WeakPolarHBondContact O-CB 3.43Å; Q169-S173 PolarHBondContact O-N 2.94Å; T170-S173 PolarHBondContact O-N 3.16Å; S173-F175 PolarHBondContact O-N 3.06Å; S173-L177 WeakPolarHBondContact O-CB 3.39Å; S173-L177 PolarHBondContact O-N 2.87Å
174	Q	98.5	Very high	98.3	Very high	55 Å²	55	57.5 Å²	57.5	26%	0.257	29%	0.29	S	S	.	.	H	α-helix	trans	-61.6	-45.2	178.8	-72.4	175.8	-20.1	0	0	112	Q98 T170 A178	Q98-Q174 HydrophobicContact CB-CB 4.26Å; Q98-Q174 HydrophobicContact CG-CB 4.25Å; T170-Q174 HydrophobicContact CG2-CG 4.27Å; T170-Q174 WeakPolarHBondContact O-CB 3.39Å; T170-Q174 WeakPolarHBondContact O-CG 3.45Å; T170-Q174 PolarHBondContact O-N 3.48Å; Q174-A178 VanDerWaalsContact O-CB 3.24Å; Q174-A178 WeakPolarHBondContact O-CB 3.34Å; Q174-A178 PolarHBondContact O-N 2.83Å
175	F	98.9	Very high	98.4	Very high	1 Å²	1	59 Å²	59	0%	0.004	28%	0.282	C	S	.	.	H	α-helix	trans	-62.9	-49.7	179.5	177.3	-89.7	0	0	0	112.1	P97 W133 R134 W137 N140 S151 A171 K172 S173 G179	P97-F175 HydrophobicContact CG-CD2 4.28Å; P97-F175 HydrophobicContact CG-CE2 3.98Å; W133-F175 HydrophobicContact CB-CZ 4.08Å; W133-F175 HydrophobicContact CD2-CZ 4.49Å; W133-F175 HydrophobicContact CE3-CZ 4.39Å; W133-F175 HydrophobicContact CG-CZ 4.39Å; R134-F175 VanDerWaalsContact O-CE1 3.31Å; R134-F175 WeakPolarHBondContact O-CE1 3.39Å; W137-F175 HydrophobicContact CE3-CB 3.96Å; W137-F175 HydrophobicContact CE3-CD1 4.05Å; W137-F175 HydrophobicContact CE3-CG 4.06Å; W137-F175 HydrophobicContact CZ3-CB 4.09Å; W137-F175 HydrophobicContact CZ3-CG 4.37Å; N140-F175 WeakPolarHBondContact ND2-CE1 3.19Å; S151-F175 WeakPolarHBondContact OG-CD2 3.44Å; A171-F175 WeakPolarHBondContact O-CB 3.44Å; A171-F175 PolarHBondContact O-N 3.44Å; K172-F175 PolarHBondContact O-N 3.16Å; S173-F175 PolarHBondContact O-N 3.06Å; F175-G179 WeakPolarHBondContact O-CA 3.05Å; F175-G179 PolarHBondContact O-N 2.87Å
176	E	98.8	Very high	98.5	Very high	53 Å²	53	51.9 Å²	51.9	25%	0.248	25%	0.251	C	S	.	.	H	α-helix	trans	-67.2	-39.5	-178.9	-67.2	-171.5	161.1	0	0	111.4	W137 K172 R180	W137-E176 HydrophobicContact CB-CG 4.03Å; W137-E176 VanDerWaalsContact CB-OE1 3.25Å; W137-E176 WeakPolarHBondContact CB-OE1 3.35Å; W137-E176 PolarHBondContact N-OE1 3.06Å; K172-E176 WeakPolarHBondContact O-CG 3.47Å; K172-E176 PolarHBondContact O-N 3.45Å; E176-R180 VanDerWaalsContact O-CB 3.31Å; E176-R180 WeakPolarHBondContact O-CB 3.47Å; E176-R180 PolarHBondContact O-N 2.87Å
177	L	98.8	Very high	98.6	Very high	107 Å²	107	46.2 Å²	46.2	56%	0.56	23%	0.226	S	C	*	.	H	α-helix	trans	-63.3	-50	176.5	178.5	62.2	0	0	0	111.6	S173 R181	S173-L177 WeakPolarHBondContact O-CB 3.39Å; S173-L177 PolarHBondContact O-N 2.87Å; L177-R181 WeakPolarHBondContact O-CG 3.46Å; L177-R181 PolarHBondContact O-N 3.45Å
178	A	98.8	Very high	98.6	Very high	13 Å²	13	48 Å²	48	11%	0.107	24%	0.239	C	C	.	.	H	α-helix	trans	-68.3	-42.3	179.9	0	0	0	0	0	111.5	P97 Q98 Q174 R180 R181 F182	P97-A178 HydrophobicContact CB-CB 3.71Å; Q98-A178 VanDerWaalsContact CA-CB 3.48Å; Q98-A178 HydrophobicContact CB-CB 3.75Å; Q174-A178 VanDerWaalsContact O-CB 3.24Å; Q174-A178 WeakPolarHBondContact O-CB 3.34Å; Q174-A178 PolarHBondContact O-N 2.83Å; A178-R180 VanDerWaalsContact C-N 3.35Å; A178-R180 PolarHBondContact O-N 2.8Å; A178-R181 PolarHBondContact O-N 2.98Å; A178-R181 VanDerWaalsContact O-N 3.11Å; A178-F182 WeakPolarHBondContact O-CD2 2.86Å; A178-F182 PolarHBondContact O-N 2.95Å
179	G	98.8	Very high	98.6	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-57.7	-45.3	175.9	0	0	0	0	0	112.3	F175 F182 M183	F175-G179 WeakPolarHBondContact O-CA 3.05Å; F175-G179 PolarHBondContact O-N 2.87Å; G179-F182 PolarHBondContact O-N 3.29Å; G179-M183 PolarHBondContact O-N 2.73Å; G179-M183 VanDerWaalsContact O-N 3.13Å
180	R	98.8	Very high	98.6	Very high	100 Å²	100	42.2 Å²	42.2	38%	0.377	21%	0.207	S	C	.	.	H	α-helix	trans	-57.6	-50.5	171.4	172.4	172.8	174.7	173.4	3.1	111.6	E176 A178 F182 M183 E184 W234	E176-R180 VanDerWaalsContact O-CB 3.31Å; E176-R180 WeakPolarHBondContact O-CB 3.47Å; E176-R180 PolarHBondContact O-N 2.87Å; A178-R180 VanDerWaalsContact C-N 3.35Å; A178-R180 PolarHBondContact O-N 2.8Å; R180-F182 VanDerWaalsContact C-N 3.33Å; R180-F182 PolarHBondContact O-N 3.28Å; R180-M183 PolarHBondContact O-N 3.28Å; R180-E184 HydrophobicContact CG-CB 4.49Å; R180-E184 IonicContact CZ-OE2 3.15Å; R180-E184 IonicContact NE-OE2 3.34Å; R180-E184 PolarHBondContact NE-OE2 2.81Å; R180-E184 IonicContact NH2-OE1 2.72Å; R180-E184 IonicContact NH2-OE2 2.73Å; R180-E184 PolarHBondContact NH2-OE2 2.71Å; R180-E184 WeakPolarHBondContact O-CB 3.46Å; R180-E184 PolarHBondContact O-N 2.82Å; R180-W234 HydrophobicContact CB-CD2 4.5Å; R180-W234 HydrophobicContact CB-CH2 4.2Å; R180-W234 HydrophobicContact CB-CZ2 3.93Å; R180-W234 HydrophobicContact CG-CD2 3.68Å; R180-W234 HydrophobicContact CG-CE3 3.81Å; R180-W234 HydrophobicContact CG-CG 4.25Å; R180-W234 HydrophobicContact CG-CH2 4.16Å; R180-W234 HydrophobicContact CG-CZ2 4Å; R180-W234 HydrophobicContact CG-CZ3 4.05Å; R180-W234 VanDerWaalsContact CZ-CB 3.42Å
181	R	98.8	Very high	98.7	Very high	138 Å²	138	41.6 Å²	41.6	52%	0.521	20%	0.202	S	C	.	.	H	α-helix	trans	-58.4	-43.2	-178.1	-74.9	-179.7	70.2	171.7	3.2	112.4	L102 L177 A178 K185	L102-R181 HydrophobicContact CD2-CB 4.06Å; L177-R181 WeakPolarHBondContact O-CG 3.46Å; L177-R181 PolarHBondContact O-N 3.45Å; A178-R181 PolarHBondContact O-N 2.98Å; A178-R181 VanDerWaalsContact O-N 3.11Å; R181-K185 WeakPolarHBondContact O-CB 3.3Å; R181-K185 VanDerWaalsContact O-CG 3.26Å; R181-K185 WeakPolarHBondContact O-CG 3.47Å; R181-K185 PolarHBondContact O-N 2.88Å
182	F	98.8	Very high	98.6	Very high	4 Å²	4	44.8 Å²	44.8	2%	0.018	23%	0.234	C	C	.	.	H	α-helix	trans	-61.7	-51.2	176.6	-92.2	-95	0	0	0	111.6	P82 P97 L102 H105 W133 A178 G179 R180 T186	P82-F182 HydrophobicContact CG-CD1 4.32Å; P82-F182 HydrophobicContact CG-CE1 3.72Å; P82-F182 HydrophobicContact CG-CE2 4.34Å; P82-F182 HydrophobicContact CG-CZ 3.74Å; P97-F182 HydrophobicContact CB-CD2 4.23Å; P97-F182 WeakPolarHBondContact O-CE2 3.34Å; L102-F182 HydrophobicContact CB-CE2 4.1Å; L102-F182 HydrophobicContact CB-CZ 4.1Å; L102-F182 HydrophobicContact CD1-CD1 3.97Å; L102-F182 HydrophobicContact CD1-CD2 3.97Å; L102-F182 HydrophobicContact CD1-CE1 4.08Å; L102-F182 HydrophobicContact CD1-CE2 4.08Å; L102-F182 HydrophobicContact CD1-CG 3.91Å; L102-F182 HydrophobicContact CD1-CZ 4.13Å; H105-F182 HydrophobicContact CB-CD1 4.43Å; H105-F182 HydrophobicContact CB-CE1 3.72Å; H105-F182 HydrophobicContact CB-CZ 4.5Å; H105-F182 AromaticContact CG-CD1 3.81Å; H105-F182 AromaticContact CG-CE1 3.56Å; H105-F182 AromaticContact ND1-CD1 3.77Å; H105-F182 AromaticContact ND1-CE1 3.64Å; W133-F182 HydrophobicContact CH2-CB 4.34Å; A178-F182 WeakPolarHBondContact O-CD2 2.86Å; A178-F182 PolarHBondContact O-N 2.95Å; G179-F182 PolarHBondContact O-N 3.29Å; R180-F182 VanDerWaalsContact C-N 3.33Å; R180-F182 PolarHBondContact O-N 3.28Å; F182-T186 VanDerWaalsContact O-CB 3.26Å; F182-T186 WeakPolarHBondContact O-CB 3.41Å; F182-T186 PolarHBondContact O-N 3.1Å; F182-T186 PolarHBondContact O-OG1 3.32Å
183	M	98.9	Very high	98.5	Very high	7 Å²	7	44.7 Å²	44.7	3%	0.034	23%	0.234	C	C	.	.	H	α-helix	trans	-66.7	-49.2	-178.5	-67.7	-179.2	73.9	0	0	112.4	W130 W133 P135 G179 R180 I187 F201 L204 W234 L235	W130-M183 HydrophobicContact CE3-CG 4.29Å; W130-M183 HydrophobicContact CZ3-CG 4.26Å; W133-M183 HydrophobicContact CH2-CG 3.91Å; W133-M183 HydrophobicContact CH2-SD 4.28Å; W133-M183 HydrophobicContact CZ3-CG 4.1Å; W133-M183 HydrophobicContact CZ3-SD 3.84Å; P135-M183 HydrophobicContact CB-SD 3.75Å; P135-M183 HydrophobicContact CG-CE 4.4Å; P135-M183 HydrophobicContact CG-SD 3.78Å; G179-M183 PolarHBondContact O-N 2.73Å; G179-M183 VanDerWaalsContact O-N 3.13Å; R180-M183 PolarHBondContact O-N 3.28Å; M183-I187 WeakPolarHBondContact O-CG2 3.45Å; M183-I187 PolarHBondContact O-N 3.03Å; M183-I187 VanDerWaalsContact O-N 3.13Å; M183-F201 HydrophobicContact CB-CE1 4.34Å; M183-F201 HydrophobicContact CB-CE2 4.26Å; M183-F201 HydrophobicContact CB-CZ 3.75Å; M183-F201 HydrophobicContact CE-CD1 3.7Å; M183-F201 HydrophobicContact CE-CD2 3.96Å; M183-F201 HydrophobicContact CE-CE1 3.76Å; M183-F201 HydrophobicContact CE-CE2 4.01Å; M183-F201 HydrophobicContact CE-CG 3.79Å; M183-F201 HydrophobicContact CE-CZ 3.92Å; M183-F201 HydrophobicContact CG-CE1 4.13Å; M183-F201 HydrophobicContact CG-CZ 4.05Å; M183-L204 HydrophobicContact CE-CD1 3.9Å; M183-W234 HydrophobicContact CB-CH2 3.79Å; M183-W234 HydrophobicContact CB-CZ3 3.93Å; M183-W234 HydrophobicContact CG-CH2 4.48Å; M183-W234 HydrophobicContact SD-CH2 4.06Å; M183-L235 HydrophobicContact CE-CD1 4.3Å; M183-L235 HydrophobicContact CE-CD2 3.92Å
184	E	98.8	Very high	98.5	Very high	26 Å²	26	42.3 Å²	42.3	12%	0.121	21%	0.213	C	C	.	.	H	α-helix	trans	-65.9	-44.5	-174.9	-178.5	166.8	-159.8	0	0	112.1	R180 I187 S188 W234 R238	R180-E184 HydrophobicContact CG-CB 4.49Å; R180-E184 IonicContact CZ-OE2 3.15Å; R180-E184 IonicContact NE-OE2 3.34Å; R180-E184 PolarHBondContact NE-OE2 2.81Å; R180-E184 IonicContact NH2-OE1 2.72Å; R180-E184 IonicContact NH2-OE2 2.73Å; R180-E184 PolarHBondContact NH2-OE2 2.71Å; R180-E184 WeakPolarHBondContact O-CB 3.46Å; R180-E184 PolarHBondContact O-N 2.82Å; E184-I187 WeakPolarHBondContact O-CG2 3.35Å; E184-S188 VanDerWaalsContact O-CB 3.29Å; E184-S188 WeakPolarHBondContact O-CB 3.46Å; E184-S188 PolarHBondContact O-N 3.24Å; E184-S188 VanDerWaalsContact O-N 3.12Å; E184-S188 PolarHBondContact O-OG 2.79Å; E184-W234 HydrophobicContact CB-CE3 3.91Å; E184-W234 HydrophobicContact CB-CZ3 3.89Å; E184-W234 HydrophobicContact CG-CE3 4.44Å; E184-R238 HydrophobicContact CG-CG 4.09Å; E184-R238 IonicContact OE1-CZ 2.91Å; E184-R238 IonicContact OE1-NE 3.91Å; E184-R238 PolarHBondContact OE1-NE 3.45Å; E184-R238 IonicContact OE1-NH2 2.84Å
185	K	98.8	Very high	98.4	Very high	110 Å²	110	43.6 Å²	43.6	48%	0.478	23%	0.226	S	C	.	.	H	α-helix	trans	-70.6	-37.3	-179.5	-67	-67.1	-175.1	-178.3	0	111.9	L106 R181 S188 I189	L106-K185 HydrophobicContact CD1-CB 3.95Å; L106-K185 HydrophobicContact CD2-CB 3.77Å; R181-K185 WeakPolarHBondContact O-CB 3.3Å; R181-K185 VanDerWaalsContact O-CG 3.26Å; R181-K185 WeakPolarHBondContact O-CG 3.47Å; R181-K185 PolarHBondContact O-N 2.88Å; K185-S188 PolarHBondContact O-N 2.82Å; K185-I189 WeakPolarHBondContact O-CG1 3.13Å; K185-I189 PolarHBondContact O-N 2.86Å; K185-I189 VanDerWaalsContact O-N 3.1Å
186	T	98.9	Very high	98.3	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-68.1	-46.8	-179.6	-62.3	0	0	0	0	112	L78 H105 L106 A109 I128 W130 F182 S188 I189 G190	L78-T186 HydrophobicContact CD2-CG2 3.76Å; L78-T186 HydrophobicContact CG-CG2 4.03Å; H105-T186 PolarHBondContact CD2-OG1 2.94Å; H105-T186 VanDerWaalsContact CD2-OG1 3.27Å; H105-T186 PolarHBondContact NE2-OG1 3.32Å; L106-T186 WeakPolarHBondContact CD2-OG1 3.47Å; A109-T186 HydrophobicContact CB-CG2 4.26Å; I128-T186 HydrophobicContact CD1-CG2 4.45Å; W130-T186 HydrophobicContact CH2-CG2 3.83Å; W130-T186 HydrophobicContact CZ2-CG2 4.08Å; F182-T186 VanDerWaalsContact O-CB 3.26Å; F182-T186 WeakPolarHBondContact O-CB 3.41Å; F182-T186 PolarHBondContact O-N 3.1Å; F182-T186 PolarHBondContact O-OG1 3.32Å; T186-S188 VanDerWaalsContact C-N 3.3Å; T186-S188 PolarHBondContact O-N 3.45Å; T186-I189 PolarHBondContact O-N 2.93Å; T186-G190 PolarHBondContact O-N 3.32Å
187	I	98.8	Very high	98.2	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-64.9	-36.3	176.8	-163	172.1	0	0	0	111.7	I128 M183 E184 I189 G190 I191 W199 F201 R238	I128-I187 HydrophobicContact CD1-CB 4.18Å; I128-I187 HydrophobicContact CD1-CG1 4.32Å; M183-I187 WeakPolarHBondContact O-CG2 3.45Å; M183-I187 PolarHBondContact O-N 3.03Å; M183-I187 VanDerWaalsContact O-N 3.13Å; E184-I187 WeakPolarHBondContact O-CG2 3.35Å; I187-I189 PolarHBondContact O-N 2.91Å; I187-G190 PolarHBondContact O-N 2.8Å; I187-G190 VanDerWaalsContact O-N 3.17Å; I187-I191 HydrophobicContact CD1-CD1 4.49Å; I187-I191 HydrophobicContact CG1-CD1 3.93Å; I187-I191 HydrophobicContact CG1-CG1 4.47Å; I187-I191 WeakPolarHBondContact O-CG1 3.47Å; I187-I191 PolarHBondContact O-N 2.99Å; I187-W199 HydrophobicContact CD1-CB 4.08Å; I187-W199 HydrophobicContact CG1-CB 3.87Å; I187-F201 HydrophobicContact CB-CE2 3.95Å; I187-F201 HydrophobicContact CB-CZ 4.38Å; I187-F201 HydrophobicContact CD1-CD2 4.13Å; I187-F201 HydrophobicContact CD1-CE2 3.86Å; I187-F201 HydrophobicContact CG1-CE2 4.4Å; I187-F201 HydrophobicContact CG2-CE2 4.3Å; I187-R238 HydrophobicContact CG2-CB 4.19Å
188	S	98.7	Very high	98.2	Very high	42 Å²	42	42.5 Å²	42.5	29%	0.294	22%	0.218	S	C	.	.	H	α-helix	trans	-62.9	-39.9	177.2	-61.1	0	0	0	0	112.8	E184 K185 T186 G190 G192	E184-S188 VanDerWaalsContact O-CB 3.29Å; E184-S188 WeakPolarHBondContact O-CB 3.46Å; E184-S188 PolarHBondContact O-N 3.24Å; E184-S188 VanDerWaalsContact O-N 3.12Å; E184-S188 PolarHBondContact O-OG 2.79Å; K185-S188 PolarHBondContact O-N 2.82Å; T186-S188 VanDerWaalsContact C-N 3.3Å; T186-S188 PolarHBondContact O-N 3.45Å; S188-G190 VanDerWaalsContact C-N 3.35Å; S188-G192 PolarHBondContact O-N 2.7Å
189	I	98.2	Very high	98.2	Very high	47 Å²	47	41.9 Å²	41.9	24%	0.241	21%	0.213	C	C	.	.	H	α-helix	trans	-64.3	-42.8	173.9	-70.3	179	0	0	0	110.5	L106 K110 I113 K185 T186 I187 K193	L106-I189 HydrophobicContact CB-CD1 3.79Å; L106-I189 HydrophobicContact CD1-CD1 4.4Å; L106-I189 HydrophobicContact CD2-CD1 3.66Å; L106-I189 HydrophobicContact CG-CD1 4.13Å; K110-I189 HydrophobicContact CB-CG2 4.32Å; I113-I189 HydrophobicContact CD1-CG2 4.15Å; K185-I189 WeakPolarHBondContact O-CG1 3.13Å; K185-I189 PolarHBondContact O-N 2.86Å; K185-I189 VanDerWaalsContact O-N 3.1Å; T186-I189 PolarHBondContact O-N 2.93Å; I187-I189 PolarHBondContact O-N 2.91Å; I189-K193 HydrophobicContact CG2-CD 3.8Å; I189-K193 HydrophobicContact CG2-CG 4.41Å; I189-K193 WeakPolarHBondContact O-CB 3.48Å; I189-K193 WeakPolarHBondContact O-CG 3.03Å; I189-K193 PolarHBondContact O-N 3.01Å
190	G	98.1	Very high	98.2	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-55.3	-53.1	175.4	0	0	0	0	0	112	T186 I187 S188 K193 R194 W199	T186-G190 PolarHBondContact O-N 3.32Å; I187-G190 PolarHBondContact O-N 2.8Å; I187-G190 VanDerWaalsContact O-N 3.17Å; S188-G190 VanDerWaalsContact C-N 3.35Å; G190-K193 PolarHBondContact O-N 3.26Å; G190-R194 WeakPolarHBondContact O-CB 3.43Å; G190-R194 PolarHBondContact O-N 2.85Å; G190-W199 VanDerWaalsContact C-CE2 3.4Å; G190-W199 PolarHBondContact O-NE1 2.68Å
191	I	98.3	Very high	98.2	Very high	39 Å²	39	37.4 Å²	37.4	20%	0.2	20%	0.196	C	C	.	.	H	α-helix	trans	-62.8	-47.8	-179.3	-68.3	161	0	0	0	111.6	I187 K193 R194 P195 W199 R238 T240	I187-I191 HydrophobicContact CD1-CD1 4.49Å; I187-I191 HydrophobicContact CG1-CD1 3.93Å; I187-I191 HydrophobicContact CG1-CG1 4.47Å; I187-I191 WeakPolarHBondContact O-CG1 3.47Å; I187-I191 PolarHBondContact O-N 2.99Å; I191-K193 PolarHBondContact O-N 3.03Å; I191-R194 CarbonylContact O-C 3.57Å; I191-R194 PolarHBondContact O-N 2.95Å; I191-P195 WeakPolarHBondContact O-CA 3.25Å; I191-P195 VanDerWaalsContact O-N 3.1Å; I191-W199 HydrophobicContact CD1-CB 4.15Å; I191-W199 HydrophobicContact CG1-CB 3.7Å; I191-W199 HydrophobicContact CG1-CG 3.68Å; I191-R238 WeakPolarHBondContact CD1-O 3.38Å; I191-T240 HydrophobicContact CD1-CG2 4.01Å; I191-T240 HydrophobicContact CG1-CG2 4.25Å; I191-T240 HydrophobicContact CG2-CG2 4.45Å
192	G	97.8	Very high	98.2	Very high	66 Å²	66	31.8 Å²	31.8	68%	0.68	18%	0.175	S	C	*	.	H	α-helix	trans	-63.3	-30.9	-179.2	0	0	0	0	0	113.1	S188	S188-G192 PolarHBondContact O-N 2.7Å
193	K	96.7	Very high	98.1	Very high	55 Å²	55	33 Å²	33	24%	0.239	18%	0.181	C	C	.	.	H	α-helix	trans	-86.3	-31.4	178.1	-72.2	-176.4	63.5	66.2	0	113.3	K110 I113 D114 I189 G190 I191 P195	K110-K193 HydrophobicContact CG-CD 3.88Å; I113-K193 HydrophobicContact CG2-CB 4.36Å; D114-K193 WeakPolarHBondContact OD1-CE 3.39Å; D114-K193 IonicContact OD1-NZ 3.54Å; D114-K193 PolarHBondContact OD1-NZ 3.23Å; D114-K193 WeakPolarHBondContact OD2-CE 3.37Å; D114-K193 IonicContact OD2-NZ 3.64Å; D114-K193 PolarHBondContact OD2-NZ 3.1Å; I189-K193 HydrophobicContact CG2-CD 3.8Å; I189-K193 HydrophobicContact CG2-CG 4.41Å; I189-K193 WeakPolarHBondContact O-CB 3.48Å; I189-K193 WeakPolarHBondContact O-CG 3.03Å; I189-K193 PolarHBondContact O-N 3.01Å; G190-K193 PolarHBondContact O-N 3.26Å; I191-K193 PolarHBondContact O-N 3.03Å; K193-P195 VanDerWaalsContact C-CD 3.5Å
194	R	97.8	Very high	98.1	Very high	26 Å²	26	33.8 Å²	33.8	10%	0.098	19%	0.186	C	C	.	.			trans	-132.7	65.3	-173.8	-56.1	-61.4	177.8	-95.5	0.1	110.8	I113 D114 I117 D120 G190 I191 N196 R197 W199	I113-R194 HydrophobicContact CG2-CG 3.82Å; D114-R194 IonicContact OD1-CZ 2.74Å; D114-R194 IonicContact OD1-NH1 2.73Å; D114-R194 IonicContact OD1-NH2 2.81Å; D114-R194 PolarHBondContact OD1-NH2 2.9Å; I117-R194 HydrophobicContact CB-CG 4.19Å; I117-R194 HydrophobicContact CD1-CG 4.42Å; I117-R194 HydrophobicContact CG2-CG 3.89Å; I117-R194 PolarHBondContact O-NE 3.36Å; I117-R194 PolarHBondContact O-NH2 2.98Å; D120-R194 WeakPolarHBondContact OD2-CA 3.15Å; G190-R194 WeakPolarHBondContact O-CB 3.43Å; G190-R194 PolarHBondContact O-N 2.85Å; I191-R194 CarbonylContact O-C 3.57Å; I191-R194 PolarHBondContact O-N 2.95Å; R194-N196 PolarHBondContact O-N 3.27Å; R194-R197 HydrophobicContact CB-CB 4.28Å; R194-R197 HydrophobicContact CB-CG 3.93Å; R194-R197 PolarHBondContact O-N 3.47Å; R194-R197 VanDerWaalsContact O-N 3.12Å; R194-W199 HydrophobicContact CB-CZ2 3.96Å; R194-W199 HydrophobicContact CG-CZ2 4.2Å; R194-W199 PolarHBondContact O-NE1 3.42Å; R194-W199 VanDerWaalsContact O-NE1 3.14Å
195	P	96.6	Very high	98.1	Very high	81 Å²	81	32.6 Å²	32.6	53%	0.526	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-23.3	-176.4	27.2	-37	0	0	0	113.8	D120 I191 K193 R197	D120-P195 WeakPolarHBondContact OD2-CD 3.4Å; I191-P195 WeakPolarHBondContact O-CA 3.25Å; I191-P195 VanDerWaalsContact O-N 3.1Å; K193-P195 VanDerWaalsContact C-CD 3.5Å; P195-R197 PolarHBondContact O-N 3.01Å
196	N	95.8	Very high	98	Very high	74 Å²	74	27.5 Å²	27.5	40%	0.396	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-10	176.6	-66.1	-41.2	0	0	0	112.5	D120 P123 R194	D120-N196 WeakPolarHBondContact O-CB 3.47Å; D120-N196 PolarHBondContact O-ND2 3.07Å; D120-N196 WeakPolarHBondContact OD2-CB 3.37Å; D120-N196 PolarHBondContact OD2-N 2.73Å; P123-N196 WeakPolarHBondContact CA-O 3.37Å; R194-N196 PolarHBondContact O-N 3.27Å
197	R	97.5	Very high	98	Very high	8 Å²	8	27.6 Å²	27.6	3%	0.03	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	145.3	171	-55.8	-58.1	173.3	143.8	-0.4	112.1	Q68 F69 I117 Q119 D120 G124 A126 R194 P195 W199	Q68-R197 PolarHBondContact O-NH1 3.07Å; F69-R197 PolarHBondContact O-NH1 2.94Å; F69-R197 VanDerWaalsContact O-NH1 3.07Å; I117-R197 HydrophobicContact CD1-CG 4.41Å; I117-R197 HydrophobicContact CG2-CG 4.25Å; Q119-R197 PolarHBondContact O-NH2 2.92Å; D120-R197 WeakPolarHBondContact OD1-CG 3.44Å; D120-R197 IonicContact OD1-NE 3.54Å; D120-R197 PolarHBondContact OD1-NE 3.44Å; G124-R197 CarbonylContact O-C 3.56Å; G124-R197 WeakPolarHBondContact O-CA 3.39Å; A126-R197 HydrophobicContact CB-CB 4.05Å; R194-R197 HydrophobicContact CB-CB 4.28Å; R194-R197 HydrophobicContact CB-CG 3.93Å; R194-R197 PolarHBondContact O-N 3.47Å; R194-R197 VanDerWaalsContact O-N 3.12Å; P195-R197 PolarHBondContact O-N 3.01Å; R197-W199 VanDerWaalsContact O-CD1 3.29Å
198	R	98.1	Very high	97.9	Very high	56 Å²	56	29.7 Å²	29.7	21%	0.211	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	113.6	170.6	-57.3	-56.4	-169.9	-98.6	4.7	110	E24 L27 G124 L125 A126 T240 A241 P283	E24-R198 IonicContact OE2-CZ 3.49Å; E24-R198 VanDerWaalsContact OE2-CZ 3.27Å; E24-R198 IonicContact OE2-NE 3.87Å; E24-R198 PolarHBondContact OE2-NE 2.9Å; E24-R198 IonicContact OE2-NH2 3.48Å; E24-R198 PolarHBondContact OE2-NH2 3.14Å; L27-R198 HydrophobicContact CD1-CG 4.07Å; G124-R198 PolarHBondContact O-N 2.95Å; L125-R198 HydrophobicContact CD2-CB 3.89Å; A126-R198 PolarHBondContact N-O 2.74Å; R198-T240 WeakPolarHBondContact CA-OG1 3.46Å; R198-T240 WeakPolarHBondContact CD-O 3.44Å; R198-A241 HydrophobicContact CB-CB 3.7Å; R198-P283 HydrophobicContact CG-CG 4.5Å
199	W	98.8	Very high	97.9	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	139.7	-171	-72.1	88.8	0	0	0	111.7	F73 I113 I117 A126 I128 I187 G190 I191 R194 R197 T240 A241	F73-W199 HydrophobicContact CD2-CZ3 4.23Å; F73-W199 AromaticContact CE2-CH2 3.76Å; F73-W199 HydrophobicContact CE2-CH2 3.76Å; F73-W199 AromaticContact CE2-CZ3 3.81Å; F73-W199 HydrophobicContact CE2-CZ3 3.81Å; F73-W199 HydrophobicContact CZ-CH2 4.39Å; I113-W199 HydrophobicContact CD1-CH2 4.23Å; I113-W199 HydrophobicContact CG1-CH2 4.01Å; I113-W199 HydrophobicContact CG2-CH2 4.45Å; I113-W199 HydrophobicContact CG2-CZ2 4.48Å; I117-W199 HydrophobicContact CD1-CH2 3.94Å; I117-W199 HydrophobicContact CD1-CZ2 3.85Å; A126-W199 HydrophobicContact CB-CD2 3.4Å; A126-W199 VanDerWaalsContact CB-CD2 3.4Å; A126-W199 VanDerWaalsContact CB-CE2 3.49Å; A126-W199 HydrophobicContact CB-CE3 3.48Å; A126-W199 VanDerWaalsContact CB-CE3 3.48Å; A126-W199 HydrophobicContact CB-CG 4.04Å; A126-W199 HydrophobicContact CB-CH2 3.7Å; A126-W199 HydrophobicContact CB-CZ2 3.65Å; A126-W199 HydrophobicContact CB-CZ3 3.63Å; A126-W199 WeakPolarHBondContact O-CA 3.43Å; I128-W199 HydrophobicContact CD1-CE3 4.32Å; I128-W199 HydrophobicContact CG1-CE3 4.34Å; I128-W199 HydrophobicContact CG1-CZ3 4.39Å; I187-W199 HydrophobicContact CD1-CB 4.08Å; I187-W199 HydrophobicContact CG1-CB 3.87Å; G190-W199 VanDerWaalsContact C-CE2 3.4Å; G190-W199 PolarHBondContact O-NE1 2.68Å; I191-W199 HydrophobicContact CD1-CB 4.15Å; I191-W199 HydrophobicContact CG1-CB 3.7Å; I191-W199 HydrophobicContact CG1-CG 3.68Å; R194-W199 HydrophobicContact CB-CZ2 3.96Å; R194-W199 HydrophobicContact CG-CZ2 4.2Å; R194-W199 PolarHBondContact O-NE1 3.42Å; R194-W199 VanDerWaalsContact O-NE1 3.14Å; R197-W199 VanDerWaalsContact O-CD1 3.29Å; W199-T240 PolarHBondContact N-OG1 3.26Å; W199-T240 PolarHBondContact O-N 3.05Å; W199-A241 PolarHBondContact O-N 3.12Å
200	G	98.8	Very high	97.8	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.9	171.2	176.5	0	0	0	0	0	111.6	A126 I128	A126-G200 PolarHBondContact O-N 3.3Å; I128-G200 PolarHBondContact N-O 3.32Å
201	F	98.9	Very high	97.7	Very high	7 Å²	7	31 Å²	31	3%	0.031	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	131.6	178.2	-70.9	-95.8	0	0	0	109.9	I128 W130 M183 I187 L204 L235	I128-F201 HydrophobicContact CB-CD1 3.71Å; I128-F201 HydrophobicContact CB-CE1 3.78Å; I128-F201 HydrophobicContact CB-CG 4.29Å; I128-F201 HydrophobicContact CB-CZ 4.41Å; I128-F201 HydrophobicContact CD1-CE1 4.02Å; I128-F201 HydrophobicContact CD1-CE2 4.22Å; I128-F201 HydrophobicContact CD1-CZ 3.8Å; I128-F201 HydrophobicContact CG2-CD1 3.72Å; I128-F201 HydrophobicContact CG2-CE1 3.47Å; I128-F201 VanDerWaalsContact CG2-CE1 3.47Å; I128-F201 HydrophobicContact CG2-CZ 4.33Å; I128-F201 CarbonylContact O-C 3.56Å; I128-F201 VanDerWaalsContact O-CA 3.29Å; I128-F201 WeakPolarHBondContact O-CA 3.41Å; W130-F201 HydrophobicContact CD2-CE1 4.22Å; W130-F201 AromaticContact CE3-CE1 3.76Å; W130-F201 HydrophobicContact CE3-CE1 3.76Å; W130-F201 HydrophobicContact CZ3-CE1 4.19Å; M183-F201 HydrophobicContact CB-CE1 4.34Å; M183-F201 HydrophobicContact CB-CE2 4.26Å; M183-F201 HydrophobicContact CB-CZ 3.75Å; M183-F201 HydrophobicContact CE-CD1 3.7Å; M183-F201 HydrophobicContact CE-CD2 3.96Å; M183-F201 HydrophobicContact CE-CE1 3.76Å; M183-F201 HydrophobicContact CE-CE2 4.01Å; M183-F201 HydrophobicContact CE-CG 3.79Å; M183-F201 HydrophobicContact CE-CZ 3.92Å; M183-F201 HydrophobicContact CG-CE1 4.13Å; M183-F201 HydrophobicContact CG-CZ 4.05Å; I187-F201 HydrophobicContact CB-CE2 3.95Å; I187-F201 HydrophobicContact CB-CZ 4.38Å; I187-F201 HydrophobicContact CD1-CD2 4.13Å; I187-F201 HydrophobicContact CD1-CE2 3.86Å; I187-F201 HydrophobicContact CG1-CE2 4.4Å; I187-F201 HydrophobicContact CG2-CE2 4.3Å; F201-L204 HydrophobicContact CB-CB 4.47Å; F201-L204 HydrophobicContact CB-CD1 4Å; F201-L204 HydrophobicContact CB-CG 4.44Å; F201-L204 PolarHBondContact O-N 2.87Å; F201-L235 HydrophobicContact CD2-CD1 3.67Å; F201-L235 HydrophobicContact CE2-CD1 3.65Å
202	Y	98.8	Very high	97.6	Very high	19 Å²	19	30.2 Å²	30.2	8%	0.075	17%	0.168	C	C	.	.	B	Isolated β-bridge	trans	-54.7	151.3	168.3	168.5	-102.7	0	0	0	110.3	I128 D129 E131 L204 Y247 Y287	I128-Y202 PolarHBondContact O-N 2.88Å; D129-Y202 WeakPolarHBondContact OD1-CD1 3.34Å; E131-Y202 HydrophobicContact CG-CD1 4.25Å; E131-Y202 HydrophobicContact CG-CE1 4.33Å; Y202-L204 PolarHBondContact O-N 2.99Å; Y202-L204 VanDerWaalsContact O-N 3.1Å; Y202-Y247 WeakPolarHBondContact OH-CE2 3.29Å; Y202-Y287 AromaticContact CD2-CD1 3.78Å; Y202-Y287 HydrophobicContact CD2-CD1 3.78Å; Y202-Y287 AromaticContact CD2-CD2 3.89Å; Y202-Y287 HydrophobicContact CD2-CD2 3.89Å; Y202-Y287 HydrophobicContact CD2-CE1 4.08Å; Y202-Y287 HydrophobicContact CD2-CE2 4.18Å; Y202-Y287 AromaticContact CD2-CG 3.67Å; Y202-Y287 HydrophobicContact CD2-CG 3.67Å; Y202-Y287 AromaticContact CE2-CD1 3.68Å; Y202-Y287 HydrophobicContact CE2-CD1 3.68Å; Y202-Y287 HydrophobicContact CE2-CD2 4.35Å; Y202-Y287 HydrophobicContact CE2-CE1 4.34Å; Y202-Y287 AromaticContact CE2-CG 3.67Å; Y202-Y287 HydrophobicContact CE2-CG 3.67Å
203	L	97.4	Very high	97.4	Very high	29 Å²	29	32.8 Å²	32.8	15%	0.152	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.4	-17.4	-179.2	-169.8	61.5	0	0	0	115.3	P205 D206 F243	L203-P205 CarbonylContact O-C 3.41Å; L203-D206 PolarHBondContact O-N 3.36Å; L203-F243 WeakPolarHBondContact CA-O 3.3Å; L203-F243 PolarHBondContact N-O 3.35Å
204	L	98.4	Very high	97.3	Very high	24 Å²	24	37.2 Å²	37.2	13%	0.126	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-99	137.4	-171.8	-64	-178.3	0	0	0	113.8	M183 F201 Y202 L235 W236 F243	M183-L204 HydrophobicContact CE-CD1 3.9Å; F201-L204 HydrophobicContact CB-CB 4.47Å; F201-L204 HydrophobicContact CB-CD1 4Å; F201-L204 HydrophobicContact CB-CG 4.44Å; F201-L204 PolarHBondContact O-N 2.87Å; Y202-L204 PolarHBondContact O-N 2.99Å; Y202-L204 VanDerWaalsContact O-N 3.1Å; L204-L235 HydrophobicContact CD1-CD2 3.59Å; L204-W236 HydrophobicContact CB-CH2 4.25Å; L204-W236 HydrophobicContact CB-CZ3 4.16Å; L204-F243 PolarHBondContact O-N 2.78Å
205	P	98.6	Very high	97.1	Very high	1 Å²	1	42 Å²	42	1%	0.006	22%	0.221	C	C	.	.	S	Bend	cis	-72.9	152.8	-7.4	34.5	-39.2	0	0	0	112.4	L203 W236 E268 A269 V272	L203-P205 CarbonylContact O-C 3.41Å; P205-W236 HydrophobicContact CB-CH2 4.01Å; P205-W236 HydrophobicContact CB-CZ2 4.32Å; P205-E268 HydrophobicContact CB-CG 4.33Å; P205-E268 HydrophobicContact CG-CG 4.21Å; P205-A269 HydrophobicContact CG-CB 4.01Å; P205-V272 HydrophobicContact CB-CG2 4.12Å; P205-V272 HydrophobicContact CG-CG2 3.59Å
206	D	97.9	Very high	97	Very high	4 Å²	4	41.7 Å²	41.7	2%	0.021	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-96.7	143.8	165.9	-162.1	-17.5	0	0	0	110.1	L203 F208 Y210 T225 N229 R265	L203-D206 PolarHBondContact O-N 3.36Å; D206-F208 HydrophobicContact CB-CD1 4.38Å; D206-F208 HydrophobicContact CB-CD2 4.31Å; D206-F208 HydrophobicContact CB-CE1 3.92Å; D206-F208 HydrophobicContact CB-CE2 3.89Å; D206-F208 HydrophobicContact CB-CZ 3.68Å; D206-F208 PolarHBondContact OD1-N 2.93Å; D206-F208 WeakPolarHBondContact OD2-CD1 3.27Å; D206-F208 WeakPolarHBondContact OD2-CE1 3.18Å; D206-Y210 PolarHBondContact OD1-OH 3.03Å; D206-Y210 PolarHBondContact OD2-OH 3.1Å; D206-T225 WeakPolarHBondContact O-CG2 3.42Å; D206-N229 PolarHBondContact O-ND2 3.41Å; D206-N229 VanDerWaalsContact O-ND2 3.08Å; D206-R265 IonicContact OD1-CZ 3.77Å; D206-R265 IonicContact OD1-NH1 3.04Å; D206-R265 PolarHBondContact OD1-NH1 2.77Å; D206-R265 IonicContact OD1-NH2 2.86Å; D206-R265 PolarHBondContact OD1-NH2 3.15Å; D206-R265 VanDerWaalsContact OD1-NH2 3.15Å
207	C	98.1	Very high	97.1	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.014	22%	0.219	C	C	.	.			trans	-92.8	-22.2	176.4	-175.2	0	0	0	0	112.4	N209 C221 T225 R265	C207-N209 HydrophobicContact CB-CB 4.4Å; C207-N209 PolarHBondContact O-N 3.28Å; C207-C221 VanDerWaalsContact CA-SG 3.59Å; C207-C221 HydrophobicContact CB-CB 4.05Å; C207-C221 WeakPolarHBondContact CB-SG 3.33Å; C207-C221 WeakPolarHBondContact SG-CA 3.42Å; C207-C221 WeakPolarHBondContact SG-CB 3.45Å; C207-C221 PolarHBondContact SG-N 3.33Å; C207-C221 VanDerWaalsContact SG-N 3.36Å; C207-C221 CovalentContact SG-SG 2.02Å; C207-C221 PolarHBondContact SG-SG 3.37Å; C207-T225 PolarHBondContact O-OG1 2.88Å; C207-R265 HydrophobicContact CB-CG 3.7Å
208	F	97.6	Very high	97.1	Very high	43 Å²	43	43 Å²	43	19%	0.189	24%	0.24	C	C	.	.			trans	52.1	31	-173.1	-55.4	-72.7	0	0	0	114.2	W141 D206 Y210 T225	W141-F208 HydrophobicContact CH2-CD1 4.27Å; W141-F208 AromaticContact CH2-CE1 3.88Å; W141-F208 HydrophobicContact CH2-CE1 3.88Å; W141-F208 AromaticContact CZ2-CD1 3.63Å; W141-F208 HydrophobicContact CZ2-CD1 3.63Å; W141-F208 AromaticContact CZ2-CE1 3.37Å; W141-F208 HydrophobicContact CZ2-CE1 3.37Å; W141-F208 HydrophobicContact CZ2-CZ 4.17Å; D206-F208 HydrophobicContact CB-CD1 4.38Å; D206-F208 HydrophobicContact CB-CD2 4.31Å; D206-F208 HydrophobicContact CB-CE1 3.92Å; D206-F208 HydrophobicContact CB-CE2 3.89Å; D206-F208 HydrophobicContact CB-CZ 3.68Å; D206-F208 PolarHBondContact OD1-N 2.93Å; D206-F208 WeakPolarHBondContact OD2-CD1 3.27Å; D206-F208 WeakPolarHBondContact OD2-CE1 3.18Å; F208-Y210 HydrophobicContact CB-CD2 4.45Å; F208-Y210 HydrophobicContact CB-CE2 4.31Å; F208-Y210 AromaticContact CD1-CE2 3.85Å; F208-Y210 HydrophobicContact CD1-CE2 3.85Å; F208-Y210 PolarHBondContact O-N 3.28Å; F208-T225 HydrophobicContact CD2-CG2 3.78Å; F208-T225 HydrophobicContact CE2-CG2 4.42Å
209	N	98.1	Very high	97.1	Very high	9 Å²	9	40.4 Å²	40.4	5%	0.048	23%	0.23	C	C	.	.			trans	-83.1	42	-178.8	60.1	-22.9	0	0	0	113.2	C207 G211 Y217 G219 Y261 R265	C207-N209 HydrophobicContact CB-CB 4.4Å; C207-N209 PolarHBondContact O-N 3.28Å; N209-G211 PolarHBondContact O-N 3.22Å; N209-Y217 WeakPolarHBondContact O-CE2 3.44Å; N209-Y217 PolarHBondContact O-OH 2.88Å; N209-G219 WeakPolarHBondContact CB-O 3.47Å; N209-G219 PolarHBondContact ND2-O 3.47Å; N209-Y261 PolarHBondContact ND2-O 2.95Å; N209-R265 WeakPolarHBondContact OD1-CD 3.45Å; N209-R265 WeakPolarHBondContact OD1-CG 3.23Å; N209-R265 PolarHBondContact OD1-NH1 2.67Å; N209-R265 VanDerWaalsContact OD1-NH1 3.16Å
210	Y	96.4	Very high	97	Very high	80 Å²	80	47.2 Å²	47.2	31%	0.314	26%	0.256	S	S	.	.			trans	-78.4	2.9	-174.7	-54.9	-67.3	0	0	0	114.6	D206 F208 W212 Y261 R265	D206-Y210 PolarHBondContact OD1-OH 3.03Å; D206-Y210 PolarHBondContact OD2-OH 3.1Å; F208-Y210 HydrophobicContact CB-CD2 4.45Å; F208-Y210 HydrophobicContact CB-CE2 4.31Å; F208-Y210 AromaticContact CD1-CE2 3.85Å; F208-Y210 HydrophobicContact CD1-CE2 3.85Å; F208-Y210 PolarHBondContact O-N 3.28Å; Y210-W212 VanDerWaalsContact C-N 3.28Å; Y210-W212 VanDerWaalsContact CA-CZ3 3.49Å; Y210-W212 HydrophobicContact CD1-CH2 4.04Å; Y210-W212 AromaticContact CD1-CZ3 3.71Å; Y210-W212 HydrophobicContact CD1-CZ3 3.71Å; Y210-W212 HydrophobicContact CG-CZ3 4.35Å; Y210-W212 PolarHBondContact O-N 3.25Å; Y210-W212 VanDerWaalsContact O-N 3.17Å; Y210-Y261 HydrophobicContact CD1-CE2 4.18Å; Y210-Y261 HydrophobicContact CE1-CE2 4.17Å; Y210-R265 PolarHBondContact OH-NH1 3.32Å
211	G	95.5	Very high	97	Very high	29 Å²	29	47.7 Å²	47.7	30%	0.299	26%	0.26	S	S	.	.			trans	-84	30	-173.1	0	0	0	0	0	115.7	N209 N213 K214 Y217	N209-G211 PolarHBondContact O-N 3.22Å; G211-N213 PolarHBondContact O-N 3.13Å; G211-N213 VanDerWaalsContact O-N 3.16Å; G211-K214 WeakPolarHBondContact O-CB 3.38Å; G211-K214 PolarHBondContact O-N 3.12Å; G211-Y217 WeakPolarHBondContact O-CD2 3.47Å
212	W	95.6	Very high	97	Very high	22 Å²	22	50.1 Å²	50.1	8%	0.083	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-14	-171.9	54.9	76.7	0	0	0	115.8	Y210 K214 Y217 H249 T251 L252 R257 Y261	Y210-W212 VanDerWaalsContact C-N 3.28Å; Y210-W212 VanDerWaalsContact CA-CZ3 3.49Å; Y210-W212 HydrophobicContact CD1-CH2 4.04Å; Y210-W212 AromaticContact CD1-CZ3 3.71Å; Y210-W212 HydrophobicContact CD1-CZ3 3.71Å; Y210-W212 HydrophobicContact CG-CZ3 4.35Å; Y210-W212 PolarHBondContact O-N 3.25Å; Y210-W212 VanDerWaalsContact O-N 3.17Å; W212-K214 VanDerWaalsContact C-N 3.3Å; W212-Y217 VanDerWaalsContact CA-CD2 3.49Å; W212-Y217 HydrophobicContact CB-CD1 3.94Å; W212-Y217 HydrophobicContact CB-CD2 4.28Å; W212-Y217 HydrophobicContact CB-CE1 3.68Å; W212-Y217 HydrophobicContact CB-CE2 4.05Å; W212-Y217 HydrophobicContact CB-CG 4.21Å; W212-H249 HydrophobicContact CH2-CB 4.05Å; W212-H249 HydrophobicContact CZ2-CB 3.75Å; W212-T251 PolarHBondContact NE1-OG1 2.79Å; W212-L252 HydrophobicContact CB-CD2 3.83Å; W212-L252 HydrophobicContact CD2-CD1 3.81Å; W212-L252 HydrophobicContact CD2-CD2 4.27Å; W212-L252 HydrophobicContact CD2-CG 4.14Å; W212-L252 HydrophobicContact CE3-CD1 3.88Å; W212-L252 HydrophobicContact CG-CD1 4.13Å; W212-L252 HydrophobicContact CG-CD2 3.7Å; W212-L252 HydrophobicContact CG-CG 4.04Å; W212-L252 HydrophobicContact CZ3-CD1 4.27Å; W212-R257 VanDerWaalsContact O-CD 3.25Å; W212-R257 WeakPolarHBondContact O-CD 3.2Å; W212-R257 PolarHBondContact O-NH1 2.73Å; W212-Y261 HydrophobicContact CE3-CD2 4.05Å; W212-Y261 HydrophobicContact CE3-CE2 4.38Å; W212-Y261 AromaticContact CZ3-CD2 3.98Å; W212-Y261 HydrophobicContact CZ3-CD2 3.98Å; W212-Y261 AromaticContact CZ3-CE2 3.84Å; W212-Y261 HydrophobicContact CZ3-CE2 3.84Å
213	N	94.1	Very high	96.9	Very high	119 Å²	119	54 Å²	54	64%	0.636	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-10.2	174	-66.5	-21.3	0	0	0	112.8	G211	G211-N213 PolarHBondContact O-N 3.13Å; G211-N213 VanDerWaalsContact O-N 3.16Å
214	K	94.4	Very high	97	Very high	148 Å²	148	59.2 Å²	59.2	64%	0.643	32%	0.324	S	S	*	.	S	Bend	trans	-82.4	142.7	-177.8	-61.6	-173.9	177.6	-172.7	0	111.5	G211 W212 Y217	G211-K214 WeakPolarHBondContact O-CB 3.38Å; G211-K214 PolarHBondContact O-N 3.12Å; W212-K214 VanDerWaalsContact C-N 3.3Å; K214-Y217 WeakPolarHBondContact O-CB 3.37Å; K214-Y217 PolarHBondContact O-N 2.91Å
215	P	93.9	Very high	97	Very high	128 Å²	128	58.4 Å²	58.4	83%	0.831	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	144.4	168.6	-24.5	34.1	0	0	0	111.6	Y217	P215-Y217 VanDerWaalsContact C-N 3.27Å; P215-Y217 PolarHBondContact O-N 2.79Å
216	G	94.8	Very high	97	Very high	74 Å²	74	62.2 Å²	62.2	76%	0.763	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.3	19.1	-180	0	0	0	0	0	115	T218	G216-T218 WeakPolarHBondContact O-CG2 3.36Å; G216-T218 PolarHBondContact O-N 2.81Å; G216-T218 VanDerWaalsContact O-N 3.14Å
217	Y	97.6	Very high	97	Very high	32 Å²	32	68.7 Å²	68.7	13%	0.125	37%	0.365	C	S	.	.			trans	-59.8	116.5	177.2	177.2	-106.4	0	0	0	112.2	N209 G211 W212 K214 P215 G219 R257 L260 Y261	N209-Y217 WeakPolarHBondContact O-CE2 3.44Å; N209-Y217 PolarHBondContact O-OH 2.88Å; G211-Y217 WeakPolarHBondContact O-CD2 3.47Å; W212-Y217 VanDerWaalsContact CA-CD2 3.49Å; W212-Y217 HydrophobicContact CB-CD1 3.94Å; W212-Y217 HydrophobicContact CB-CD2 4.28Å; W212-Y217 HydrophobicContact CB-CE1 3.68Å; W212-Y217 HydrophobicContact CB-CE2 4.05Å; W212-Y217 HydrophobicContact CB-CG 4.21Å; K214-Y217 WeakPolarHBondContact O-CB 3.37Å; K214-Y217 PolarHBondContact O-N 2.91Å; P215-Y217 VanDerWaalsContact C-N 3.27Å; P215-Y217 PolarHBondContact O-N 2.79Å; Y217-G219 VanDerWaalsContact CZ-CA 3.41Å; Y217-R257 HydrophobicContact CD1-CB 4.17Å; Y217-R257 HydrophobicContact CD1-CG 4.17Å; Y217-R257 HydrophobicContact CE1-CB 4.24Å; Y217-L260 HydrophobicContact CD1-CD1 4.46Å; Y217-L260 HydrophobicContact CE1-CB 4.13Å; Y217-L260 WeakPolarHBondContact O-CD1 3.44Å; Y217-Y261 WeakPolarHBondContact OH-CA 3.4Å; Y217-Y261 WeakPolarHBondContact OH-CB 3.44Å
218	T	97	Very high	97	Very high	77 Å²	77	69.6 Å²	69.6	47%	0.472	37%	0.369	S	S	.	.			trans	-101.1	-7.4	178.6	61	0	0	0	0	113.5	G216 R220 N264	G216-T218 WeakPolarHBondContact O-CG2 3.36Å; G216-T218 PolarHBondContact O-N 2.81Å; G216-T218 VanDerWaalsContact O-N 3.14Å; T218-R220 PolarHBondContact O-N 2.87Å; T218-R220 VanDerWaalsContact O-N 3.13Å; T218-R220 PolarHBondContact OG1-N 2.89Å; T218-N264 PolarHBondContact O-ND2 2.92Å; T218-N264 VanDerWaalsContact O-ND2 3.16Å
219	G	97.9	Very high	97.1	Very high	1 Å²	1	67.6 Å²	67.6	1%	0.01	36%	0.361	C	S	.	.			trans	71.4	-10.5	-170.9	0	0	0	0	0	115.7	N209 Y217 N264	N209-G219 WeakPolarHBondContact CB-O 3.47Å; N209-G219 PolarHBondContact ND2-O 3.47Å; Y217-G219 VanDerWaalsContact CZ-CA 3.41Å; G219-N264 VanDerWaalsContact C-CG 3.41Å; G219-N264 VanDerWaalsContact C-ND2 3.29Å; G219-N264 WeakPolarHBondContact O-CB 3.33Å
220	R	97.9	Very high	97.1	Very high	144 Å²	144	70.5 Å²	70.5	54%	0.543	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-61	137.1	-175.3	-70.3	178	171.6	178.8	-0.5	112.5	T218 S222 N264 Y376	T218-R220 PolarHBondContact O-N 2.87Å; T218-R220 VanDerWaalsContact O-N 3.13Å; T218-R220 PolarHBondContact OG1-N 2.89Å; R220-S222 PolarHBondContact O-N 2.96Å; R220-N264 WeakPolarHBondContact CA-OD1 2.96Å; R220-N264 WeakPolarHBondContact CG-OD1 3.35Å; R220-Y376 PolarHBondContact NH2-OH 2.02Å
221	C	98.3	Very high	97.2	Very high	10 Å²	10	72.8 Å²	72.8	7%	0.068	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-63.9	136	168.9	-39	0	0	0	0	109.4	C207 T225 K226 N264 E268	C207-C221 VanDerWaalsContact CA-SG 3.59Å; C207-C221 HydrophobicContact CB-CB 4.05Å; C207-C221 WeakPolarHBondContact CB-SG 3.33Å; C207-C221 WeakPolarHBondContact SG-CA 3.42Å; C207-C221 WeakPolarHBondContact SG-CB 3.45Å; C207-C221 PolarHBondContact SG-N 3.33Å; C207-C221 VanDerWaalsContact SG-N 3.36Å; C207-C221 CovalentContact SG-SG 2.02Å; C207-C221 PolarHBondContact SG-SG 3.37Å; C221-T225 HydrophobicContact CB-CG2 4.43Å; C221-K226 HydrophobicContact CB-CG 4.26Å; C221-N264 PolarHBondContact SG-O 3.34Å; C221-N264 VanDerWaalsContact SG-O 3.35Å; C221-E268 VanDerWaalsContact SG-CB 3.58Å
222	S	97.8	Very high	97.4	Very high	58 Å²	58	71.4 Å²	71.4	41%	0.406	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-62.3	153.4	-179.4	78.3	0	0	0	0	111.8	R220 K224 T225 K226	R220-S222 PolarHBondContact O-N 2.96Å; S222-K224 PolarHBondContact O-N 3.35Å; S222-K224 PolarHBondContact OG-N 3.29Å; S222-T225 WeakPolarHBondContact O-CB 3.38Å; S222-T225 PolarHBondContact O-N 3.02Å; S222-T225 PolarHBondContact OG-N 2.6Å; S222-T225 PolarHBondContact OG-OG1 3.46Å; S222-K226 PolarHBondContact O-N 2.84Å
223	T	98.3	Very high	97.5	Very high	101 Å²	101	73.3 Å²	73.3	62%	0.62	39%	0.385	S	S	*	.	H	α-helix	trans	-55.8	-36.4	172.8	-53.6	0	0	0	0	111.6	K226 K227	T223-K226 PolarHBondContact O-N 2.79Å; T223-K227 HydrophobicContact CG2-CD 4.48Å; T223-K227 WeakPolarHBondContact O-CB 3.5Å; T223-K227 WeakPolarHBondContact O-CG 3.45Å; T223-K227 PolarHBondContact O-N 3.42Å
224	K	98.1	Very high	97.7	Very high	137 Å²	137	68.6 Å²	68.6	60%	0.596	36%	0.358	S	S	*	.	H	α-helix	trans	-61.4	-48.3	174.2	179.8	-179.4	176.4	179.9	0	111.3	S222 K227 Q228	S222-K224 PolarHBondContact O-N 3.35Å; S222-K224 PolarHBondContact OG-N 3.29Å; K224-K227 PolarHBondContact O-N 2.94Å; K224-Q228 WeakPolarHBondContact O-CG 3.33Å; K224-Q228 PolarHBondContact O-N 3.45Å
225	T	98.4	Very high	97.9	Very high	8 Å²	8	61.6 Å²	61.6	5%	0.049	33%	0.328	C	S	.	.	H	α-helix	trans	-58.7	-49.2	177.4	-56.3	0	0	0	0	110.8	D206 C207 F208 C221 S222 K227 Q228 N229	D206-T225 WeakPolarHBondContact O-CG2 3.42Å; C207-T225 PolarHBondContact O-OG1 2.88Å; F208-T225 HydrophobicContact CD2-CG2 3.78Å; F208-T225 HydrophobicContact CE2-CG2 4.42Å; C221-T225 HydrophobicContact CB-CG2 4.43Å; S222-T225 WeakPolarHBondContact O-CB 3.38Å; S222-T225 PolarHBondContact O-N 3.02Å; S222-T225 PolarHBondContact OG-N 2.6Å; S222-T225 PolarHBondContact OG-OG1 3.46Å; T225-K227 VanDerWaalsContact C-N 3.34Å; T225-K227 PolarHBondContact O-N 3.43Å; T225-Q228 WeakPolarHBondContact O-CB 3.33Å; T225-Q228 PolarHBondContact O-N 3.11Å; T225-Q228 VanDerWaalsContact O-N 3.09Å; T225-N229 PolarHBondContact O-N 3.47Å
226	K	98.7	Very high	98.2	Very high	80 Å²	80	55.7 Å²	55.7	35%	0.348	29%	0.289	S	S	.	.	H	α-helix	trans	-59.5	-43.5	179.3	-67.6	-175.7	176.2	-175.9	0	112.1	C221 S222 T223 Q228 N229 N230 R271	C221-K226 HydrophobicContact CB-CG 4.26Å; S222-K226 PolarHBondContact O-N 2.84Å; T223-K226 PolarHBondContact O-N 2.79Å; K226-Q228 VanDerWaalsContact C-N 3.34Å; K226-Q228 PolarHBondContact O-N 2.84Å; K226-N229 PolarHBondContact O-N 2.73Å; K226-N230 PolarHBondContact O-N 2.91Å; K226-N230 PolarHBondContact O-OD1 3.07Å; K226-N230 VanDerWaalsContact O-OD1 3.08Å; K226-R271 PolarHBondContact O-NH2 3.47Å
227	K	98.6	Very high	98.3	Very high	141 Å²	141	56.3 Å²	56.3	61%	0.613	27%	0.272	S	S	*	.	H	α-helix	trans	-61.8	-39.7	174.6	-75.3	-178.2	-177.2	-174.1	0	112.2	T223 K224 T225 N230 K231	T223-K227 HydrophobicContact CG2-CD 4.48Å; T223-K227 WeakPolarHBondContact O-CB 3.5Å; T223-K227 WeakPolarHBondContact O-CG 3.45Å; T223-K227 PolarHBondContact O-N 3.42Å; K224-K227 PolarHBondContact O-N 2.94Å; T225-K227 VanDerWaalsContact C-N 3.34Å; T225-K227 PolarHBondContact O-N 3.43Å; K227-N230 PolarHBondContact O-N 3.3Å; K227-K231 PolarHBondContact O-N 2.78Å
228	Q	98.5	Very high	98.3	Very high	20 Å²	20	60.4 Å²	60.4	9%	0.093	29%	0.287	C	S	.	.	H	α-helix	trans	-66.4	-45.7	175.1	-74.3	177.5	-33.1	0	0	111.4	L136 Q139 K224 T225 K226 N230 K231	L136-Q228 HydrophobicContact CD1-CB 3.73Å; L136-Q228 HydrophobicContact CD1-CG 4.27Å; L136-Q228 WeakPolarHBondContact CD1-O 3.32Å; Q139-Q228 VanDerWaalsContact NE2-OE1 3.11Å; K224-Q228 WeakPolarHBondContact O-CG 3.33Å; K224-Q228 PolarHBondContact O-N 3.45Å; T225-Q228 WeakPolarHBondContact O-CB 3.33Å; T225-Q228 PolarHBondContact O-N 3.11Å; T225-Q228 VanDerWaalsContact O-N 3.09Å; K226-Q228 VanDerWaalsContact C-N 3.34Å; K226-Q228 PolarHBondContact O-N 2.84Å; Q228-N230 PolarHBondContact O-N 3.31Å; Q228-K231 VanDerWaalsContact O-CB 3.32Å; Q228-K231 WeakPolarHBondContact O-CB 3.26Å; Q228-K231 PolarHBondContact O-N 3.14Å
229	N	98.8	Very high	98.4	Very high	2 Å²	2	57 Å²	57	1%	0.011	27%	0.267	C	S	.	.	H	α-helix	trans	-61	-33.2	175.4	-70.3	-12.7	0	0	0	111.6	D206 T225 K226 K231 L232 W236 E268 V272	D206-N229 PolarHBondContact O-ND2 3.41Å; D206-N229 VanDerWaalsContact O-ND2 3.08Å; T225-N229 PolarHBondContact O-N 3.47Å; K226-N229 PolarHBondContact O-N 2.73Å; N229-K231 VanDerWaalsContact C-N 3.29Å; N229-K231 PolarHBondContact O-N 2.77Å; N229-L232 WeakPolarHBondContact O-CB 3.39Å; N229-L232 PolarHBondContact O-N 3.39Å; N229-L232 VanDerWaalsContact O-N 3.1Å; N229-W236 HydrophobicContact CB-CZ2 4.36Å; N229-W236 PolarHBondContact O-NE1 3.14Å; N229-E268 WeakPolarHBondContact CB-OE1 3.46Å; N229-E268 PolarHBondContact ND2-OE1 3.49Å; N229-V272 HydrophobicContact CB-CG1 4.06Å
230	N	98.8	Very high	98.4	Very high	69 Å²	69	58.6 Å²	58.6	37%	0.369	28%	0.276	S	S	.	.	H	α-helix	trans	-64	-31.1	172.7	-66.8	-1.4	0	0	0	113	K226 K227 Q228 L232 L233 R271 L275	K226-N230 PolarHBondContact O-N 2.91Å; K226-N230 PolarHBondContact O-OD1 3.07Å; K226-N230 VanDerWaalsContact O-OD1 3.08Å; K227-N230 PolarHBondContact O-N 3.3Å; Q228-N230 PolarHBondContact O-N 3.31Å; N230-L232 PolarHBondContact O-N 3.05Å; N230-L233 PolarHBondContact O-N 3.48Å; N230-R271 PolarHBondContact OD1-NH1 3.37Å; N230-R271 PolarHBondContact OD1-NH2 3.22Å; N230-L275 WeakPolarHBondContact OD1-CD1 3.45Å
231	K	98.6	Very high	98.5	Very high	128 Å²	128	51.7 Å²	51.7	56%	0.557	25%	0.25	S	C	*	.	H	α-helix	trans	-67.6	-16.3	175.1	-62.8	-178.4	177.9	-170.4	0	113	L136 K227 Q228 N229 L233	L136-K231 HydrophobicContact CD1-CB 4.46Å; L136-K231 HydrophobicContact CD2-CB 4.27Å; K227-K231 PolarHBondContact O-N 2.78Å; Q228-K231 VanDerWaalsContact O-CB 3.32Å; Q228-K231 WeakPolarHBondContact O-CB 3.26Å; Q228-K231 PolarHBondContact O-N 3.14Å; N229-K231 VanDerWaalsContact C-N 3.29Å; N229-K231 PolarHBondContact O-N 2.77Å; K231-L233 VanDerWaalsContact C-N 3.27Å
232	L	98.8	Very high	98.5	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	21.2	176	-62.2	177.3	0	0	0	112.4	P135 L136 N229 N230 W234 L235 W236	P135-L232 HydrophobicContact CB-CD2 4.06Å; P135-L232 HydrophobicContact CG-CD1 4.22Å; P135-L232 HydrophobicContact CG-CD2 3.68Å; L136-L232 HydrophobicContact CD1-CD1 4.33Å; L136-L232 HydrophobicContact CD1-CD2 4.31Å; L136-L232 HydrophobicContact CD1-CG 4.08Å; L136-L232 HydrophobicContact CD2-CD2 3.8Å; L136-L232 HydrophobicContact CD2-CG 4.4Å; L136-L232 HydrophobicContact CG-CD1 4.49Å; L136-L232 HydrophobicContact CG-CD2 3.86Å; L136-L232 HydrophobicContact CG-CG 4.18Å; N229-L232 WeakPolarHBondContact O-CB 3.39Å; N229-L232 PolarHBondContact O-N 3.39Å; N229-L232 VanDerWaalsContact O-N 3.1Å; N230-L232 PolarHBondContact O-N 3.05Å; L232-W234 HydrophobicContact CD2-CZ2 3.74Å; L232-W234 PolarHBondContact O-N 3.11Å; L232-W234 VanDerWaalsContact O-N 3.14Å; L232-L235 HydrophobicContact CB-CB 4.38Å; L232-L235 WeakPolarHBondContact O-CA 3.44Å; L232-L235 VanDerWaalsContact O-CB 3.3Å; L232-L235 WeakPolarHBondContact O-CB 3.48Å; L232-L235 PolarHBondContact O-N 3.11Å; L232-W236 HydrophobicContact CB-CH2 4.1Å; L232-W236 HydrophobicContact CB-CZ2 3.39Å; L232-W236 HydrophobicContact CD1-CH2 3.99Å; L232-W236 HydrophobicContact CD1-CZ2 3.81Å; L232-W236 HydrophobicContact CG-CZ2 4.22Å; L232-W236 PolarHBondContact O-N 3.23Å; L232-W236 PolarHBondContact O-NE1 3.3Å
233	L	98.7	Very high	98.5	Very high	63 Å²	63	48.6 Å²	48.6	33%	0.33	23%	0.228	S	C	.	.	H	α-helix	trans	-48.3	-42.5	176.4	-176.9	62.3	0	0	0	112.5	N230 K231 L235 W236 E237 L275 P276	N230-L233 PolarHBondContact O-N 3.48Å; K231-L233 VanDerWaalsContact C-N 3.27Å; L233-L235 PolarHBondContact O-N 3.49Å; L233-L235 VanDerWaalsContact O-N 3.12Å; L233-W236 PolarHBondContact O-N 3.31Å; L233-E237 HydrophobicContact CD1-CG 4.18Å; L233-E237 HydrophobicContact CG-CG 4.13Å; L233-E237 WeakPolarHBondContact O-CG 3.49Å; L233-E237 PolarHBondContact O-N 3.02Å; L233-L275 HydrophobicContact CD1-CB 3.87Å; L233-P276 HydrophobicContact CD1-CG 4.28Å
234	W	98.4	Very high	98.6	Very high	20 Å²	20	43.8 Å²	43.8	8%	0.076	20%	0.199	C	C	.	.	H	α-helix	trans	-56.3	-28.1	176.2	63.8	-96.1	0	0	0	114	P135 R180 M183 E184 L232 R238	P135-W234 HydrophobicContact CB-CH2 4.34Å; P135-W234 HydrophobicContact CB-CZ2 3.93Å; P135-W234 HydrophobicContact CG-CZ2 4.45Å; R180-W234 HydrophobicContact CB-CD2 4.5Å; R180-W234 HydrophobicContact CB-CH2 4.2Å; R180-W234 HydrophobicContact CB-CZ2 3.93Å; R180-W234 HydrophobicContact CG-CD2 3.68Å; R180-W234 HydrophobicContact CG-CE3 3.81Å; R180-W234 HydrophobicContact CG-CG 4.25Å; R180-W234 HydrophobicContact CG-CH2 4.16Å; R180-W234 HydrophobicContact CG-CZ2 4Å; R180-W234 HydrophobicContact CG-CZ3 4.05Å; R180-W234 VanDerWaalsContact CZ-CB 3.42Å; M183-W234 HydrophobicContact CB-CH2 3.79Å; M183-W234 HydrophobicContact CB-CZ3 3.93Å; M183-W234 HydrophobicContact CG-CH2 4.48Å; M183-W234 HydrophobicContact SD-CH2 4.06Å; E184-W234 HydrophobicContact CB-CE3 3.91Å; E184-W234 HydrophobicContact CB-CZ3 3.89Å; E184-W234 HydrophobicContact CG-CE3 4.44Å; L232-W234 HydrophobicContact CD2-CZ2 3.74Å; L232-W234 PolarHBondContact O-N 3.11Å; L232-W234 VanDerWaalsContact O-N 3.14Å; W234-R238 WeakPolarHBondContact O-CB 3.21Å; W234-R238 WeakPolarHBondContact O-CG 3.37Å
235	L	98.7	Very high	98.6	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.005	17%	0.172	C	C	.	.	H	α-helix	trans	-81.9	-40.1	177.6	-177.6	59.2	0	0	0	110.8	M183 F201 L204 L232 L233 R238 S239	M183-L235 HydrophobicContact CE-CD1 4.3Å; M183-L235 HydrophobicContact CE-CD2 3.92Å; F201-L235 HydrophobicContact CD2-CD1 3.67Å; F201-L235 HydrophobicContact CE2-CD1 3.65Å; L204-L235 HydrophobicContact CD1-CD2 3.59Å; L232-L235 HydrophobicContact CB-CB 4.38Å; L232-L235 WeakPolarHBondContact O-CA 3.44Å; L232-L235 VanDerWaalsContact O-CB 3.3Å; L232-L235 WeakPolarHBondContact O-CB 3.48Å; L232-L235 PolarHBondContact O-N 3.11Å; L233-L235 PolarHBondContact O-N 3.49Å; L233-L235 VanDerWaalsContact O-N 3.12Å; L235-R238 PolarHBondContact O-N 2.8Å; L235-S239 WeakPolarHBondContact O-CB 3.49Å; L235-S239 PolarHBondContact O-N 3.17Å; L235-S239 PolarHBondContact O-OG 3.26Å
236	W	98.5	Very high	98.6	Very high	4 Å²	4	37.2 Å²	37.2	2%	0.015	17%	0.17	C	C	.	.	H	α-helix	trans	-68.3	-40.7	179.6	-41.2	141.2	0	0	0	111.4	L204 P205 N229 L232 L233 R238 S239 L242 V272 P276	L204-W236 HydrophobicContact CB-CH2 4.25Å; L204-W236 HydrophobicContact CB-CZ3 4.16Å; P205-W236 HydrophobicContact CB-CH2 4.01Å; P205-W236 HydrophobicContact CB-CZ2 4.32Å; N229-W236 HydrophobicContact CB-CZ2 4.36Å; N229-W236 PolarHBondContact O-NE1 3.14Å; L232-W236 HydrophobicContact CB-CH2 4.1Å; L232-W236 HydrophobicContact CB-CZ2 3.39Å; L232-W236 HydrophobicContact CD1-CH2 3.99Å; L232-W236 HydrophobicContact CD1-CZ2 3.81Å; L232-W236 HydrophobicContact CG-CZ2 4.22Å; L232-W236 PolarHBondContact O-N 3.23Å; L232-W236 PolarHBondContact O-NE1 3.3Å; L233-W236 PolarHBondContact O-N 3.31Å; W236-R238 PolarHBondContact O-N 3.4Å; W236-S239 PolarHBondContact O-N 3.22Å; W236-L242 HydrophobicContact CE3-CD2 3.99Å; W236-L242 HydrophobicContact CZ3-CD2 4.37Å; W236-V272 HydrophobicContact CD2-CB 4.2Å; W236-V272 HydrophobicContact CD2-CG2 4.15Å; W236-V272 HydrophobicContact CE3-CG2 4.43Å; W236-V272 HydrophobicContact CG-CB 4.18Å; W236-V272 HydrophobicContact CG-CG2 4.48Å; W236-P276 HydrophobicContact CB-CG 3.93Å
237	E	97.9	Very high	98.6	Very high	86 Å²	86	34.3 Å²	34.3	40%	0.402	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-27.4	174.2	-74.3	172.5	158.3	0	0	113	L233 P276	L233-E237 HydrophobicContact CD1-CG 4.18Å; L233-E237 HydrophobicContact CG-CG 4.13Å; L233-E237 WeakPolarHBondContact O-CG 3.49Å; L233-E237 PolarHBondContact O-N 3.02Å; E237-P276 HydrophobicContact CG-CB 3.84Å; E237-P276 HydrophobicContact CG-CG 3.98Å
238	R	98	Very high	98.6	Very high	119 Å²	119	27.6 Å²	27.6	45%	0.449	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-22.8	-176.3	-66.6	-71.2	-175	-151.1	-3.4	113.3	E184 I187 I191 W234 L235 W236	E184-R238 HydrophobicContact CG-CG 4.09Å; E184-R238 IonicContact OE1-CZ 2.91Å; E184-R238 IonicContact OE1-NE 3.91Å; E184-R238 PolarHBondContact OE1-NE 3.45Å; E184-R238 IonicContact OE1-NH2 2.84Å; I187-R238 HydrophobicContact CG2-CB 4.19Å; I191-R238 WeakPolarHBondContact CD1-O 3.38Å; W234-R238 WeakPolarHBondContact O-CB 3.21Å; W234-R238 WeakPolarHBondContact O-CG 3.37Å; L235-R238 PolarHBondContact O-N 2.8Å; W236-R238 PolarHBondContact O-N 3.4Å
239	S	98.6	Very high	98.6	Very high	6 Å²	6	29.2 Å²	29.2	4%	0.042	14%	0.135	C	C	.	.			trans	-77.1	146.1	-179.9	-57.3	0	0	0	0	109.9	L235 W236 V282	L235-S239 WeakPolarHBondContact O-CB 3.49Å; L235-S239 PolarHBondContact O-N 3.17Å; L235-S239 PolarHBondContact O-OG 3.26Å; W236-S239 PolarHBondContact O-N 3.22Å; S239-V282 WeakPolarHBondContact O-CG1 3.43Å
240	T	98.4	Very high	98.5	Very high	33 Å²	33	31.1 Å²	31.1	20%	0.202	15%	0.145	C	C	.	.	S	Bend	trans	-108.5	0.2	171.7	58.3	0	0	0	0	112.4	I191 R198 W199 P283	I191-T240 HydrophobicContact CD1-CG2 4.01Å; I191-T240 HydrophobicContact CG1-CG2 4.25Å; I191-T240 HydrophobicContact CG2-CG2 4.45Å; R198-T240 WeakPolarHBondContact CA-OG1 3.46Å; R198-T240 WeakPolarHBondContact CD-O 3.44Å; W199-T240 PolarHBondContact N-OG1 3.26Å; W199-T240 PolarHBondContact O-N 3.05Å; T240-P283 WeakPolarHBondContact O-CD 3.39Å
241	A	98.7	Very high	98.5	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.151	C	C	.	.	S	Bend	trans	-155.1	161.2	162	0	0	0	0	0	110.6	R198 W199 F243 P283 Y285	R198-A241 HydrophobicContact CB-CB 3.7Å; W199-A241 PolarHBondContact O-N 3.12Å; A241-F243 HydrophobicContact CB-CE1 4.33Å; A241-F243 HydrophobicContact CB-CE2 3.77Å; A241-F243 HydrophobicContact CB-CZ 3.58Å; A241-P283 WeakPolarHBondContact CA-O 3.38Å; A241-P283 HydrophobicContact CB-CG 4.22Å; A241-Y285 HydrophobicContact CB-CD2 4.09Å; A241-Y285 HydrophobicContact CB-CE2 4.27Å
242	L	98.9	Very high	98.4	Very high	3 Å²	3	25.7 Å²	25.7	2%	0.016	13%	0.125	C	C	.	.	B	Isolated β-bridge	trans	-114.4	142.2	172.8	-57.4	-179.7	0	0	0	111.5	W236 P244 A269 V272 A273 V282 P283 V284 Y285	W236-L242 HydrophobicContact CE3-CD2 3.99Å; W236-L242 HydrophobicContact CZ3-CD2 4.37Å; L242-P244 VanDerWaalsContact C-CD 3.47Å; L242-P244 WeakPolarHBondContact O-CD 3.42Å; L242-A269 HydrophobicContact CD1-CB 4.43Å; L242-A269 VanDerWaalsContact CD1-O 3.23Å; L242-A269 WeakPolarHBondContact CD1-O 3.31Å; L242-V272 HydrophobicContact CD1-CG2 3.6Å; L242-A273 HydrophobicContact CD1-CB 3.77Å; L242-V282 HydrophobicContact CD1-CG2 4.39Å; L242-V282 HydrophobicContact CG-CG2 3.97Å; L242-P283 PolarHBondContact N-O 3.02Å; L242-V284 HydrophobicContact CB-CG2 4.34Å; L242-V284 HydrophobicContact CD1-CG2 4.46Å; L242-Y285 PolarHBondContact O-N 2.87Å
243	F	98.9	Very high	98.4	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.146	C	C	.	.	B	Isolated β-bridge	trans	-128	60	-172.8	-58.8	-75.8	0	0	0	112.7	L125 V127 L203 L204 A241 S245 Y285 Y287	L125-F243 HydrophobicContact CD1-CE1 4.08Å; L125-F243 HydrophobicContact CD2-CE1 4.28Å; L125-F243 HydrophobicContact CD2-CZ 4.22Å; V127-F243 HydrophobicContact CG1-CD2 4.37Å; V127-F243 HydrophobicContact CG1-CG 4.36Å; V127-F243 HydrophobicContact CG2-CD1 4Å; V127-F243 HydrophobicContact CG2-CD2 4.21Å; V127-F243 HydrophobicContact CG2-CE1 3.77Å; V127-F243 HydrophobicContact CG2-CE2 3.99Å; V127-F243 HydrophobicContact CG2-CG 4.21Å; V127-F243 HydrophobicContact CG2-CZ 3.76Å; L203-F243 WeakPolarHBondContact CA-O 3.3Å; L203-F243 PolarHBondContact N-O 3.35Å; L204-F243 PolarHBondContact O-N 2.78Å; A241-F243 HydrophobicContact CB-CE1 4.33Å; A241-F243 HydrophobicContact CB-CE2 3.77Å; A241-F243 HydrophobicContact CB-CZ 3.58Å; F243-S245 PolarHBondContact O-N 2.83Å; F243-Y285 WeakPolarHBondContact CA-O 3.49Å; F243-Y285 AromaticContact CE1-CD2 3.98Å; F243-Y285 HydrophobicContact CE1-CD2 3.98Å; F243-Y285 HydrophobicContact CE1-CG 4.21Å; F243-Y287 HydrophobicContact CB-CD2 4.03Å; F243-Y287 HydrophobicContact CB-CE2 4.05Å; F243-Y287 HydrophobicContact CD1-CD2 4.28Å; F243-Y287 AromaticContact CD1-CE2 3.84Å; F243-Y287 HydrophobicContact CD1-CE2 3.84Å; F243-Y287 HydrophobicContact CG-CE2 4.22Å
244	P	98.8	Very high	98.4	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.148	C	C	.	.			trans	-65.6	136.5	176.9	32.9	-38.3	0	0	0	110.1	L242 A269 V284 V286 Y287	L242-P244 VanDerWaalsContact C-CD 3.47Å; L242-P244 WeakPolarHBondContact O-CD 3.42Å; P244-A269 HydrophobicContact CB-CB 4.28Å; P244-A269 HydrophobicContact CG-CB 3.73Å; P244-V284 HydrophobicContact CG-CG1 3.99Å; P244-V286 HydrophobicContact CG-CB 4.48Å; P244-V286 HydrophobicContact CG-CG1 3.91Å; P244-V286 WeakPolarHBondContact O-CA 3.46Å; P244-Y287 PolarHBondContact O-N 2.82Å
245	S	98.8	Very high	98.3	Very high	6 Å²	6	32 Å²	32	4%	0.042	15%	0.154	C	C	.	.	B	Isolated β-bridge	trans	-80.1	135.1	171.1	175.5	0	0	0	0	110	F243 Y247 R265	F243-S245 PolarHBondContact O-N 2.83Å; S245-Y247 WeakPolarHBondContact OG-CD1 3.17Å; S245-Y247 VanDerWaalsContact OG-CG 3.26Å; S245-Y247 PolarHBondContact OG-N 2.81Å; S245-R265 PolarHBondContact O-NE 3.08Å; S245-R265 PolarHBondContact O-NH2 3.4Å
246	I	98.8	Very high	98.1	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.186	C	C	.	.			trans	-120.6	25.9	173.7	61.3	162.1	0	0	0	111.6	L248 V262 R265 V286 Y287	I246-L248 PolarHBondContact O-N 3.39Å; I246-L248 VanDerWaalsContact O-N 3.12Å; I246-V262 HydrophobicContact CB-CG1 4.34Å; I246-V262 HydrophobicContact CB-CG2 4.31Å; I246-V262 HydrophobicContact CD1-CG1 3.83Å; I246-V262 HydrophobicContact CG2-CG1 4.2Å; I246-R265 HydrophobicContact CG2-CB 4.07Å; I246-V286 HydrophobicContact CD1-CB 4.06Å; I246-V286 HydrophobicContact CD1-CG2 3.58Å; I246-V286 HydrophobicContact CG1-CB 4.09Å; I246-V286 HydrophobicContact CG1-CG2 4.07Å; I246-V286 HydrophobicContact CG2-CB 4.27Å; I246-V286 HydrophobicContact CG2-CG1 4.47Å; I246-Y287 WeakPolarHBondContact CG1-O 3.24Å; I246-Y287 PolarHBondContact N-O 3.45Å
247	Y	98.6	Very high	98.1	Very high	20 Å²	20	41.5 Å²	41.5	8%	0.078	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-52.5	121.8	-179.3	-64.5	-5.9	0	0	0	110.8	Y202 S245 Y261 Y287 R289 W323	Y202-Y247 WeakPolarHBondContact OH-CE2 3.29Å; S245-Y247 WeakPolarHBondContact OG-CD1 3.17Å; S245-Y247 VanDerWaalsContact OG-CG 3.26Å; S245-Y247 PolarHBondContact OG-N 2.81Å; Y247-Y261 WeakPolarHBondContact O-CE1 3.37Å; Y247-Y261 PolarHBondContact O-OH 3.38Å; Y247-Y287 WeakPolarHBondContact CD1-O 3.11Å; Y247-Y287 WeakPolarHBondContact CE1-O 3.44Å; Y247-R289 HydrophobicContact CD1-CG 3.65Å; Y247-R289 HydrophobicContact CD2-CG 4.3Å; Y247-R289 HydrophobicContact CE1-CG 3.54Å; Y247-R289 HydrophobicContact CE2-CG 4.22Å; Y247-R289 HydrophobicContact CG-CG 4.04Å; Y247-W323 HydrophobicContact CE2-CE3 4.27Å; Y247-W323 AromaticContact CZ-CE3 3.98Å; Y247-W323 WeakPolarHBondContact OH-CB 3.33Å
248	L	98.4	Very high	98.1	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.184	C	C	.	.	P	Polyproline II helix	trans	-90.4	123.9	-172.2	-169.3	66.6	0	0	0	110.1	I246 L252 A258 Y261 Y292 R293 D304 T308	I246-L248 PolarHBondContact O-N 3.39Å; I246-L248 VanDerWaalsContact O-N 3.12Å; L248-L252 HydrophobicContact CD1-CB 3.7Å; L248-L252 HydrophobicContact CD1-CD1 3.64Å; L248-L252 HydrophobicContact CD1-CG 4.33Å; L248-L252 HydrophobicContact CG-CB 4.15Å; L248-A258 HydrophobicContact CD1-CB 3.75Å; L248-A258 HydrophobicContact CD2-CB 4.13Å; L248-Y261 HydrophobicContact CD1-CD1 4.05Å; L248-Y261 HydrophobicContact CD1-CE1 4.49Å; L248-Y292 HydrophobicContact CB-CD1 4.34Å; L248-Y292 HydrophobicContact CD2-CD1 4.21Å; L248-Y292 HydrophobicContact CD2-CE1 3.79Å; L248-Y292 HydrophobicContact CG-CD1 4.22Å; L248-Y292 HydrophobicContact CG-CE1 4.26Å; L248-Y292 CarbonylContact O-C 3.42Å; L248-Y292 WeakPolarHBondContact O-CA 3.4Å; L248-R293 WeakPolarHBondContact O-CB 3.46Å; L248-R293 PolarHBondContact O-N 3.21Å; L248-D304 HydrophobicContact CD2-CB 3.69Å; L248-T308 HydrophobicContact CB-CG2 4.3Å; L248-T308 HydrophobicContact CD2-CG2 4.11Å
249	H	98.1	Very high	98.1	Very high	53 Å²	53	32.1 Å²	32.1	25%	0.245	17%	0.166	C	C	.	.	B	Isolated β-bridge	trans	-74.3	145.5	176.5	-169.4	-100.1	0	0	0	111.1	W212 T251 L252	W212-H249 HydrophobicContact CH2-CB 4.05Å; W212-H249 HydrophobicContact CZ2-CB 3.75Å; H249-T251 VanDerWaalsContact CE1-CG2 3.46Å; H249-T251 WeakPolarHBondContact CE1-CG2 3.35Å; H249-T251 WeakPolarHBondContact ND1-CG2 3.5Å; H249-T251 PolarHBondContact ND1-N 2.96Å; H249-T251 PolarHBondContact ND1-OG1 3.46Å; H249-T251 PolarHBondContact O-N 2.94Å; H249-T251 VanDerWaalsContact O-N 3.12Å; H249-L252 WeakPolarHBondContact O-CB 3.22Å; H249-L252 PolarHBondContact O-N 3.33Å
250	I	97.6	Very high	98.1	Very high	43 Å²	43	33.6 Å²	33.6	22%	0.221	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-58.3	-29.4	-176.6	-173.7	63.7	0	0	0	113.5	L252 R253 Y292 Q295 M298	I250-L252 PolarHBondContact O-N 2.99Å; I250-L252 VanDerWaalsContact O-N 3.16Å; I250-R253 HydrophobicContact CD1-CB 4.27Å; I250-R253 WeakPolarHBondContact O-CB 3.46Å; I250-R253 PolarHBondContact O-N 2.81Å; I250-Y292 HydrophobicContact CB-CG 4.22Å; I250-Y292 HydrophobicContact CD1-CD1 4.27Å; I250-Y292 HydrophobicContact CD1-CD2 3.28Å; I250-Y292 HydrophobicContact CD1-CE2 3.62Å; I250-Y292 HydrophobicContact CD1-CG 3.65Å; I250-Q295 HydrophobicContact CB-CG 4.26Å; I250-M298 HydrophobicContact CD1-CB 4.15Å; I250-M298 HydrophobicContact CD1-CE 4.21Å; I250-M298 HydrophobicContact CD1-CG 4.48Å
251	T	97.5	Very high	98.1	Very high	80 Å²	80	32.2 Å²	32.2	49%	0.491	16%	0.164	S	C	.	.	G	3₁₀ helix	trans	-67.2	-13.2	176.3	62.3	0	0	0	0	113.7	W212 H249	W212-T251 PolarHBondContact NE1-OG1 2.79Å; H249-T251 VanDerWaalsContact CE1-CG2 3.46Å; H249-T251 WeakPolarHBondContact CE1-CG2 3.35Å; H249-T251 WeakPolarHBondContact ND1-CG2 3.5Å; H249-T251 PolarHBondContact ND1-N 2.96Å; H249-T251 PolarHBondContact ND1-OG1 3.46Å; H249-T251 PolarHBondContact O-N 2.94Å; H249-T251 VanDerWaalsContact O-N 3.12Å
252	L	97.9	Very high	98.1	Very high	2 Å²	2	32.2 Å²	32.2	1%	0.01	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-93.7	1.6	174	-71.5	169.8	0	0	0	112.4	W212 L248 H249 I250 N254 S255 R257 A258 Y261	W212-L252 HydrophobicContact CB-CD2 3.83Å; W212-L252 HydrophobicContact CD2-CD1 3.81Å; W212-L252 HydrophobicContact CD2-CD2 4.27Å; W212-L252 HydrophobicContact CD2-CG 4.14Å; W212-L252 HydrophobicContact CE3-CD1 3.88Å; W212-L252 HydrophobicContact CG-CD1 4.13Å; W212-L252 HydrophobicContact CG-CD2 3.7Å; W212-L252 HydrophobicContact CG-CG 4.04Å; W212-L252 HydrophobicContact CZ3-CD1 4.27Å; L248-L252 HydrophobicContact CD1-CB 3.7Å; L248-L252 HydrophobicContact CD1-CD1 3.64Å; L248-L252 HydrophobicContact CD1-CG 4.33Å; L248-L252 HydrophobicContact CG-CB 4.15Å; H249-L252 WeakPolarHBondContact O-CB 3.22Å; H249-L252 PolarHBondContact O-N 3.33Å; I250-L252 PolarHBondContact O-N 2.99Å; I250-L252 VanDerWaalsContact O-N 3.16Å; L252-N254 PolarHBondContact O-N 3.08Å; L252-S255 WeakPolarHBondContact O-CB 3.31Å; L252-S255 PolarHBondContact O-N 2.91Å; L252-R257 HydrophobicContact CD2-CB 3.64Å; L252-A258 HydrophobicContact CB-CB 4.34Å; L252-Y261 HydrophobicContact CD1-CD1 4.33Å; L252-Y261 HydrophobicContact CD1-CG 4.23Å
253	R	98.1	Very high	98.1	Very high	116 Å²	116	32.7 Å²	32.7	44%	0.438	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	124.5	-177.9	172.8	162	-164.2	-82.8	5.5	111.6	I250 S255 Y292 D304	I250-R253 HydrophobicContact CD1-CB 4.27Å; I250-R253 WeakPolarHBondContact O-CB 3.46Å; I250-R253 PolarHBondContact O-N 2.81Å; R253-S255 PolarHBondContact O-N 2.73Å; R253-Y292 HydrophobicContact CB-CE1 3.95Å; R253-Y292 HydrophobicContact CB-CE2 4.45Å; R253-Y292 WeakPolarHBondContact CD-OH 3.41Å; R253-Y292 HydrophobicContact CG-CE1 4.43Å; R253-Y292 HydrophobicContact CG-CE2 4.32Å; R253-Y292 WeakPolarHBondContact CG-OH 3.46Å; R253-D304 VanDerWaalsContact CA-OD2 3.23Å; R253-D304 WeakPolarHBondContact CA-OD2 3.26Å
254	N	98.1	Very high	98.1	Very high	71 Å²	71	33.2 Å²	33.2	38%	0.38	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	20.2	-178.6	-58.5	-33.6	0	0	0	114.3	L252 T301 D304	L252-N254 PolarHBondContact O-N 3.08Å; N254-T301 WeakPolarHBondContact OD1-CB 3.28Å; N254-T301 WeakPolarHBondContact OD1-CG2 3.49Å; N254-T301 PolarHBondContact OD1-OG1 3.38Å; N254-D304 PolarHBondContact N-OD1 3.36Å; N254-D304 VanDerWaalsContact N-OD1 3.1Å; N254-D304 PolarHBondContact N-OD2 2.92Å
255	S	97.1	Very high	98.1	Very high	28 Å²	28	33.2 Å²	33.2	20%	0.196	17%	0.169	C	C	.	.			trans	-91.9	139.6	-179	-174.4	0	0	0	0	110.5	L252 R253 R257 A258	L252-S255 WeakPolarHBondContact O-CB 3.31Å; L252-S255 PolarHBondContact O-N 2.91Å; R253-S255 PolarHBondContact O-N 2.73Å; S255-R257 PolarHBondContact O-N 3.05Å; S255-R257 PolarHBondContact OG-N 2.82Å; S255-A258 WeakPolarHBondContact O-CB 3.5Å; S255-A258 PolarHBondContact O-N 3.16Å
256	P	94.3	Very high	98.1	Very high	105 Å²	105	33 Å²	33	68%	0.682	17%	0.167	S	C	*	.	H	α-helix	trans	-59.9	-19	169.9	25.5	-34.8	0	0	0	112.6	A258 A259	P256-A258 PolarHBondContact O-N 3.09Å; P256-A259 PolarHBondContact O-N 3.41Å
257	R	97.8	Very high	98.1	Very high	101 Å²	101	35.5 Å²	35.5	38%	0.381	18%	0.178	S	C	.	.	H	α-helix	trans	-69	-20.7	174.3	-62.4	-176.5	-176.8	155.5	8.7	113.1	W212 Y217 L252 S255 L260 Y261	W212-R257 VanDerWaalsContact O-CD 3.25Å; W212-R257 WeakPolarHBondContact O-CD 3.2Å; W212-R257 PolarHBondContact O-NH1 2.73Å; Y217-R257 HydrophobicContact CD1-CB 4.17Å; Y217-R257 HydrophobicContact CD1-CG 4.17Å; Y217-R257 HydrophobicContact CE1-CB 4.24Å; L252-R257 HydrophobicContact CD2-CB 3.64Å; S255-R257 PolarHBondContact O-N 3.05Å; S255-R257 PolarHBondContact OG-N 2.82Å; R257-L260 PolarHBondContact O-N 3.47Å; R257-Y261 WeakPolarHBondContact O-CB 3.12Å; R257-Y261 PolarHBondContact O-N 3.09Å
258	A	98.4	Very high	98.1	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-60.3	-49	174.4	0	0	0	0	0	110.6	L248 L252 S255 P256 L260 Y261 V262 N307	L248-A258 HydrophobicContact CD1-CB 3.75Å; L248-A258 HydrophobicContact CD2-CB 4.13Å; L252-A258 HydrophobicContact CB-CB 4.34Å; S255-A258 WeakPolarHBondContact O-CB 3.5Å; S255-A258 PolarHBondContact O-N 3.16Å; P256-A258 PolarHBondContact O-N 3.09Å; A258-L260 VanDerWaalsContact C-N 3.34Å; A258-L260 PolarHBondContact O-N 3.08Å; A258-Y261 WeakPolarHBondContact O-CB 3.36Å; A258-Y261 PolarHBondContact O-N 2.91Å; A258-V262 WeakPolarHBondContact O-CG2 3.46Å; A258-V262 PolarHBondContact O-N 3.35Å; A258-N307 HydrophobicContact CB-CB 3.83Å
259	A	98.2	Very high	98.1	Very high	7 Å²	7	34.7 Å²	34.7	6%	0.058	18%	0.176	C	C	.	.	H	α-helix	trans	-59.5	-44.1	176.3	0	0	0	0	0	111.3	P256 Y261 V262 R263 N307	P256-A259 PolarHBondContact O-N 3.41Å; A259-Y261 VanDerWaalsContact C-N 3.34Å; A259-Y261 PolarHBondContact O-N 3.32Å; A259-V262 PolarHBondContact O-N 2.82Å; A259-R263 WeakPolarHBondContact O-CA 3.34Å; A259-R263 WeakPolarHBondContact O-CB 3.12Å; A259-R263 PolarHBondContact O-N 2.89Å; A259-N307 HydrophobicContact CB-CB 4.25Å
260	L	98.5	Very high	98.2	Very high	38 Å²	38	33.7 Å²	33.7	20%	0.199	17%	0.172	C	C	.	.	H	α-helix	trans	-61.5	-40.4	177	-61.9	179.2	0	0	0	112.7	Y217 R257 A258 N264	Y217-L260 HydrophobicContact CD1-CD1 4.46Å; Y217-L260 HydrophobicContact CE1-CB 4.13Å; Y217-L260 WeakPolarHBondContact O-CD1 3.44Å; R257-L260 PolarHBondContact O-N 3.47Å; A258-L260 VanDerWaalsContact C-N 3.34Å; A258-L260 PolarHBondContact O-N 3.08Å; L260-N264 PolarHBondContact O-N 3.07Å; L260-N264 PolarHBondContact O-ND2 2.95Å
261	Y	98.8	Very high	98.2	Very high	4 Å²	4	34.9 Å²	34.9	2%	0.016	17%	0.173	C	C	.	.	H	α-helix	trans	-62	-50.8	176.3	167.5	-105.2	0	0	0	111.5	N209 Y210 W212 Y217 Y247 L248 L252 R257 A258 A259 R265	N209-Y261 PolarHBondContact ND2-O 2.95Å; Y210-Y261 HydrophobicContact CD1-CE2 4.18Å; Y210-Y261 HydrophobicContact CE1-CE2 4.17Å; W212-Y261 HydrophobicContact CE3-CD2 4.05Å; W212-Y261 HydrophobicContact CE3-CE2 4.38Å; W212-Y261 AromaticContact CZ3-CD2 3.98Å; W212-Y261 HydrophobicContact CZ3-CD2 3.98Å; W212-Y261 AromaticContact CZ3-CE2 3.84Å; W212-Y261 HydrophobicContact CZ3-CE2 3.84Å; Y217-Y261 WeakPolarHBondContact OH-CA 3.4Å; Y217-Y261 WeakPolarHBondContact OH-CB 3.44Å; Y247-Y261 WeakPolarHBondContact O-CE1 3.37Å; Y247-Y261 PolarHBondContact O-OH 3.38Å; L248-Y261 HydrophobicContact CD1-CD1 4.05Å; L248-Y261 HydrophobicContact CD1-CE1 4.49Å; L252-Y261 HydrophobicContact CD1-CD1 4.33Å; L252-Y261 HydrophobicContact CD1-CG 4.23Å; R257-Y261 WeakPolarHBondContact O-CB 3.12Å; R257-Y261 PolarHBondContact O-N 3.09Å; A258-Y261 WeakPolarHBondContact O-CB 3.36Å; A258-Y261 PolarHBondContact O-N 2.91Å; A259-Y261 VanDerWaalsContact C-N 3.34Å; A259-Y261 PolarHBondContact O-N 3.32Å; Y261-R265 WeakPolarHBondContact O-CD 3.4Å; Y261-R265 VanDerWaalsContact O-CG 3.28Å; Y261-R265 WeakPolarHBondContact O-CG 3.4Å
262	V	98.8	Very high	98.3	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-68.6	-50.8	-178.3	175.3	0	0	0	0	111.1	I246 A258 A259 N264 R265 V266 N307 T308 E311	I246-V262 HydrophobicContact CB-CG1 4.34Å; I246-V262 HydrophobicContact CB-CG2 4.31Å; I246-V262 HydrophobicContact CD1-CG1 3.83Å; I246-V262 HydrophobicContact CG2-CG1 4.2Å; A258-V262 WeakPolarHBondContact O-CG2 3.46Å; A258-V262 PolarHBondContact O-N 3.35Å; A259-V262 PolarHBondContact O-N 2.82Å; V262-N264 VanDerWaalsContact C-N 3.27Å; V262-N264 PolarHBondContact O-N 3Å; V262-N264 VanDerWaalsContact O-N 3.16Å; V262-R265 WeakPolarHBondContact O-CB 3.41Å; V262-R265 PolarHBondContact O-N 3.4Å; V262-V266 HydrophobicContact CG1-CG2 4.08Å; V262-V266 WeakPolarHBondContact O-CG2 3.29Å; V262-V266 PolarHBondContact O-N 2.72Å; V262-N307 WeakPolarHBondContact CB-O 3.26Å; V262-N307 WeakPolarHBondContact CG2-O 3.35Å; V262-T308 HydrophobicContact CG2-CG2 3.83Å; V262-E311 HydrophobicContact CG1-CB 4.26Å; V262-E311 HydrophobicContact CG1-CG 4.27Å
263	R	98.7	Very high	98.3	Very high	13 Å²	13	31.2 Å²	31.2	5%	0.049	15%	0.152	C	C	.	.	H	α-helix	trans	-45.8	-51.5	-178.4	176.5	-179.5	-62.9	168.6	1	112.2	A259 R265 V266 Q267 E311 L315 Y376 N377 T378	A259-R263 WeakPolarHBondContact O-CA 3.34Å; A259-R263 WeakPolarHBondContact O-CB 3.12Å; A259-R263 PolarHBondContact O-N 2.89Å; R263-R265 VanDerWaalsContact C-N 3.33Å; R263-R265 PolarHBondContact O-N 2.81Å; R263-V266 PolarHBondContact O-N 3.15Å; R263-Q267 HydrophobicContact CG-CG 4.4Å; R263-Q267 WeakPolarHBondContact O-CB 3.45Å; R263-Q267 WeakPolarHBondContact O-CG 3.28Å; R263-Q267 PolarHBondContact O-N 2.86Å; R263-E311 HydrophobicContact CB-CG 4.15Å; R263-E311 WeakPolarHBondContact CB-OE1 3.37Å; R263-E311 WeakPolarHBondContact CG-OE1 3.25Å; R263-E311 IonicContact CZ-OE1 2.88Å; R263-E311 VanDerWaalsContact CZ-OE1 3.31Å; R263-E311 IonicContact NE-OE1 2.9Å; R263-E311 PolarHBondContact NE-OE1 3.41Å; R263-E311 IonicContact NH2-OE1 3.96Å; R263-E311 PolarHBondContact NH2-OE1 3.07Å; R263-E311 IonicContact NH2-OE2 2.81Å; R263-L315 HydrophobicContact CB-CD1 4.13Å; R263-L315 HydrophobicContact CG-CD1 3.95Å; R263-Y376 VanDerWaalsContact CD-O 3.29Å; R263-Y376 WeakPolarHBondContact CD-O 3.38Å; R263-Y376 HydrophobicContact CG-CD2 4.26Å; R263-Y376 PolarHBondContact NE-O 2.76Å; R263-Y376 VanDerWaalsContact NE-O 3.16Å; R263-N377 PolarHBondContact NH1-O 2.82Å; R263-N377 PolarHBondContact NH1-OD1 3.47Å; R263-T378 PolarHBondContact NH2-O 2.83Å; R263-T378 VanDerWaalsContact NH2-O 3.1Å
264	N	98.7	Very high	98.2	Very high	10 Å²	10	27.5 Å²	27.5	5%	0.053	15%	0.146	C	C	.	.	H	α-helix	trans	-76	-21.6	-173.6	-74.3	-81.1	0	0	0	113.4	T218 G219 R220 C221 L260 V262 E268	T218-N264 PolarHBondContact O-ND2 2.92Å; T218-N264 VanDerWaalsContact O-ND2 3.16Å; G219-N264 VanDerWaalsContact C-CG 3.41Å; G219-N264 VanDerWaalsContact C-ND2 3.29Å; G219-N264 WeakPolarHBondContact O-CB 3.33Å; R220-N264 WeakPolarHBondContact CA-OD1 2.96Å; R220-N264 WeakPolarHBondContact CG-OD1 3.35Å; C221-N264 PolarHBondContact SG-O 3.34Å; C221-N264 VanDerWaalsContact SG-O 3.35Å; L260-N264 PolarHBondContact O-N 3.07Å; L260-N264 PolarHBondContact O-ND2 2.95Å; V262-N264 VanDerWaalsContact C-N 3.27Å; V262-N264 PolarHBondContact O-N 3Å; V262-N264 VanDerWaalsContact O-N 3.16Å; N264-E268 WeakPolarHBondContact O-CB 3.28Å; N264-E268 PolarHBondContact O-N 2.97Å
265	R	98.9	Very high	98.2	Very high	1 Å²	1	26.7 Å²	26.7	0%	0.004	14%	0.141	C	C	.	.	H	α-helix	trans	-74.8	-42.8	172	-65	174	77.7	77.7	5	110.8	D206 C207 N209 Y210 S245 I246 Y261 V262 R263 E268 A269	D206-R265 IonicContact OD1-CZ 3.77Å; D206-R265 IonicContact OD1-NH1 3.04Å; D206-R265 PolarHBondContact OD1-NH1 2.77Å; D206-R265 IonicContact OD1-NH2 2.86Å; D206-R265 PolarHBondContact OD1-NH2 3.15Å; D206-R265 VanDerWaalsContact OD1-NH2 3.15Å; C207-R265 HydrophobicContact CB-CG 3.7Å; N209-R265 WeakPolarHBondContact OD1-CD 3.45Å; N209-R265 WeakPolarHBondContact OD1-CG 3.23Å; N209-R265 PolarHBondContact OD1-NH1 2.67Å; N209-R265 VanDerWaalsContact OD1-NH1 3.16Å; Y210-R265 PolarHBondContact OH-NH1 3.32Å; S245-R265 PolarHBondContact O-NE 3.08Å; S245-R265 PolarHBondContact O-NH2 3.4Å; I246-R265 HydrophobicContact CG2-CB 4.07Å; Y261-R265 WeakPolarHBondContact O-CD 3.4Å; Y261-R265 VanDerWaalsContact O-CG 3.28Å; Y261-R265 WeakPolarHBondContact O-CG 3.4Å; V262-R265 WeakPolarHBondContact O-CB 3.41Å; V262-R265 PolarHBondContact O-N 3.4Å; R263-R265 VanDerWaalsContact C-N 3.33Å; R263-R265 PolarHBondContact O-N 2.81Å; R265-E268 PolarHBondContact O-N 3.48Å; R265-A269 PolarHBondContact O-N 2.96Å; R265-A269 VanDerWaalsContact O-N 3.09Å
266	V	98.9	Very high	98.2	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-61.9	-47.5	172.5	-179.6	0	0	0	0	110.4	V262 R263 E268 A269 L270 V286 L315 A317	V262-V266 HydrophobicContact CG1-CG2 4.08Å; V262-V266 WeakPolarHBondContact O-CG2 3.29Å; V262-V266 PolarHBondContact O-N 2.72Å; R263-V266 PolarHBondContact O-N 3.15Å; V266-E268 VanDerWaalsContact C-N 3.32Å; V266-E268 PolarHBondContact O-N 2.87Å; V266-A269 WeakPolarHBondContact O-CB 3.48Å; V266-A269 PolarHBondContact O-N 2.93Å; V266-A269 VanDerWaalsContact O-N 3.16Å; V266-L270 HydrophobicContact CG1-CD1 3.89Å; V266-L270 HydrophobicContact CG1-CG 4.35Å; V266-L270 WeakPolarHBondContact O-CG 3.43Å; V266-L270 PolarHBondContact O-N 2.87Å; V266-V286 HydrophobicContact CG2-CG1 3.99Å; V266-L315 HydrophobicContact CB-CD1 3.9Å; V266-L315 HydrophobicContact CG1-CB 3.78Å; V266-L315 HydrophobicContact CG1-CD1 4.01Å; V266-L315 HydrophobicContact CG2-CD1 4.43Å; V266-A317 HydrophobicContact CG1-CB 4.45Å
267	Q	98.7	Very high	98.2	Very high	53 Å²	53	30.4 Å²	30.4	25%	0.248	15%	0.145	C	C	.	.	H	α-helix	trans	-61.1	-38.3	178.6	-74.3	-67.2	-56.2	0	0	112.7	R263 R271 Y376	R263-Q267 HydrophobicContact CG-CG 4.4Å; R263-Q267 WeakPolarHBondContact O-CB 3.45Å; R263-Q267 WeakPolarHBondContact O-CG 3.28Å; R263-Q267 PolarHBondContact O-N 2.86Å; Q267-R271 VanDerWaalsContact O-CB 3.25Å; Q267-R271 WeakPolarHBondContact O-CB 3.21Å; Q267-R271 PolarHBondContact O-N 2.84Å; Q267-Y376 HydrophobicContact CG-CD2 4.06Å; Q267-Y376 HydrophobicContact CG-CG 4.45Å
268	E	98.9	Very high	97.9	Very high	4 Å²	4	30.5 Å²	30.5	2%	0.019	15%	0.15	C	C	.	.	H	α-helix	trans	-68.2	-38.4	175.5	-177.4	62.5	-177.4	0	0	112.2	P205 C221 N229 N264 R265 V266 R271 V272	P205-E268 HydrophobicContact CB-CG 4.33Å; P205-E268 HydrophobicContact CG-CG 4.21Å; C221-E268 VanDerWaalsContact SG-CB 3.58Å; N229-E268 WeakPolarHBondContact CB-OE1 3.46Å; N229-E268 PolarHBondContact ND2-OE1 3.49Å; N264-E268 WeakPolarHBondContact O-CB 3.28Å; N264-E268 PolarHBondContact O-N 2.97Å; R265-E268 PolarHBondContact O-N 3.48Å; V266-E268 VanDerWaalsContact C-N 3.32Å; V266-E268 PolarHBondContact O-N 2.87Å; E268-R271 PolarHBondContact O-N 2.85Å; E268-R271 IonicContact OE1-CZ 2.68Å; E268-R271 IonicContact OE1-NE 3.78Å; E268-R271 IonicContact OE1-NH2 3.31Å; E268-R271 PolarHBondContact OE1-NH2 3.03Å; E268-R271 IonicContact OE2-CZ 3.32Å; E268-R271 IonicContact OE2-NE 2.93Å; E268-R271 PolarHBondContact OE2-NE 3.12Å; E268-R271 IonicContact OE2-NH2 3.96Å; E268-V272 WeakPolarHBondContact O-CG1 3.32Å; E268-V272 PolarHBondContact O-N 3.03Å
269	A	98.9	Very high	97.6	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-61.6	-48.6	173.1	0	0	0	0	0	112	P205 L242 P244 R265 V266 R271 V272 A273 V284	P205-A269 HydrophobicContact CG-CB 4.01Å; L242-A269 HydrophobicContact CD1-CB 4.43Å; L242-A269 VanDerWaalsContact CD1-O 3.23Å; L242-A269 WeakPolarHBondContact CD1-O 3.31Å; P244-A269 HydrophobicContact CB-CB 4.28Å; P244-A269 HydrophobicContact CG-CB 3.73Å; R265-A269 PolarHBondContact O-N 2.96Å; R265-A269 VanDerWaalsContact O-N 3.09Å; V266-A269 WeakPolarHBondContact O-CB 3.48Å; V266-A269 PolarHBondContact O-N 2.93Å; V266-A269 VanDerWaalsContact O-N 3.16Å; A269-R271 VanDerWaalsContact C-N 3.3Å; A269-R271 PolarHBondContact O-N 2.66Å; A269-V272 WeakPolarHBondContact O-CG2 3.48Å; A269-V272 PolarHBondContact O-N 2.98Å; A269-A273 WeakPolarHBondContact O-CB 3.47Å; A269-A273 PolarHBondContact O-N 2.98Å; A269-V284 HydrophobicContact CB-CG1 3.79Å; A269-V284 HydrophobicContact CB-CG2 4.09Å
270	L	98.6	Very high	97.5	Very high	32 Å²	32	39.4 Å²	39.4	17%	0.168	20%	0.197	C	C	.	.	H	α-helix	trans	-61	-39.8	176	-65.8	168.8	0	0	0	111.7	V266 A273 A274 V284 L315	V266-L270 HydrophobicContact CG1-CD1 3.89Å; V266-L270 HydrophobicContact CG1-CG 4.35Å; V266-L270 WeakPolarHBondContact O-CG 3.43Å; V266-L270 PolarHBondContact O-N 2.87Å; L270-A273 PolarHBondContact O-N 3.16Å; L270-A274 PolarHBondContact O-N 3.22Å; L270-V284 HydrophobicContact CD2-CB 4.45Å; L270-V284 HydrophobicContact CD2-CG2 3.86Å; L270-V284 HydrophobicContact CG-CG2 4.43Å; L270-L315 HydrophobicContact CD1-CB 4.47Å; L270-L315 WeakPolarHBondContact CD1-O 3.48Å
271	R	98.4	Very high	97.4	Very high	67 Å²	67	38 Å²	38	25%	0.253	19%	0.19	S	C	.	.	H	α-helix	trans	-62.7	-48.4	177.3	-171.1	-166.6	70.9	76.9	-2.5	111.7	K226 N230 Q267 E268 A269 A273 A274 L275	K226-R271 PolarHBondContact O-NH2 3.47Å; N230-R271 PolarHBondContact OD1-NH1 3.37Å; N230-R271 PolarHBondContact OD1-NH2 3.22Å; Q267-R271 VanDerWaalsContact O-CB 3.25Å; Q267-R271 WeakPolarHBondContact O-CB 3.21Å; Q267-R271 PolarHBondContact O-N 2.84Å; E268-R271 PolarHBondContact O-N 2.85Å; E268-R271 IonicContact OE1-CZ 2.68Å; E268-R271 IonicContact OE1-NE 3.78Å; E268-R271 IonicContact OE1-NH2 3.31Å; E268-R271 PolarHBondContact OE1-NH2 3.03Å; E268-R271 IonicContact OE2-CZ 3.32Å; E268-R271 IonicContact OE2-NE 2.93Å; E268-R271 PolarHBondContact OE2-NE 3.12Å; E268-R271 IonicContact OE2-NH2 3.96Å; A269-R271 VanDerWaalsContact C-N 3.3Å; A269-R271 PolarHBondContact O-N 2.66Å; R271-A273 VanDerWaalsContact C-N 3.34Å; R271-A274 PolarHBondContact O-N 3.06Å; R271-L275 PolarHBondContact O-N 2.92Å
272	V	98.8	Very high	97.4	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-72.2	-28.8	-179.2	-55.9	0	0	0	0	112.4	P205 N229 W236 L242 E268 A269 A274 L275 P276	P205-V272 HydrophobicContact CB-CG2 4.12Å; P205-V272 HydrophobicContact CG-CG2 3.59Å; N229-V272 HydrophobicContact CB-CG1 4.06Å; W236-V272 HydrophobicContact CD2-CB 4.2Å; W236-V272 HydrophobicContact CD2-CG2 4.15Å; W236-V272 HydrophobicContact CE3-CG2 4.43Å; W236-V272 HydrophobicContact CG-CB 4.18Å; W236-V272 HydrophobicContact CG-CG2 4.48Å; L242-V272 HydrophobicContact CD1-CG2 3.6Å; E268-V272 WeakPolarHBondContact O-CG1 3.32Å; E268-V272 PolarHBondContact O-N 3.03Å; A269-V272 WeakPolarHBondContact O-CG2 3.48Å; A269-V272 PolarHBondContact O-N 2.98Å; V272-A274 PolarHBondContact O-N 2.89Å; V272-L275 HydrophobicContact CB-CD1 4.04Å; V272-L275 HydrophobicContact CG1-CD1 4Å; V272-L275 WeakPolarHBondContact O-CB 3.44Å; V272-L275 PolarHBondContact O-N 3.12Å; V272-L275 VanDerWaalsContact O-N 3.17Å; V272-P276 WeakPolarHBondContact O-CD 3.28Å
273	A	98.4	Very high	97.4	Very high	6 Å²	6	38.5 Å²	38.5	5%	0.05	19%	0.194	C	C	.	.	H	α-helix	trans	-61.6	-27.9	172.3	0	0	0	0	0	112.9	L242 A269 L270 R271 V282	L242-A273 HydrophobicContact CD1-CB 3.77Å; A269-A273 WeakPolarHBondContact O-CB 3.47Å; A269-A273 PolarHBondContact O-N 2.98Å; L270-A273 PolarHBondContact O-N 3.16Å; R271-A273 VanDerWaalsContact C-N 3.34Å; A273-V282 HydrophobicContact CB-CG2 3.86Å
274	A	97.4	Very high	97.4	Very high	38 Å²	38	37.9 Å²	37.9	31%	0.314	19%	0.192	S	C	.	.	H	α-helix	trans	-88.2	-13.8	177.2	0	0	0	0	0	114	P21 L270 R271 V272 K277 T281	P21-A274 HydrophobicContact CG-CB 4.47Å; L270-A274 PolarHBondContact O-N 3.22Å; R271-A274 PolarHBondContact O-N 3.06Å; V272-A274 PolarHBondContact O-N 2.89Å; A274-K277 PolarHBondContact O-N 3.17Å; A274-T281 HydrophobicContact CB-CG2 3.99Å
275	L	97.4	Very high	97.4	Very high	53 Å²	53	37.6 Å²	37.6	28%	0.277	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-39.4	-177.2	-71.1	174.9	0	0	0	114.4	N230 L233 R271 V272 K277	N230-L275 WeakPolarHBondContact OD1-CD1 3.45Å; L233-L275 HydrophobicContact CD1-CB 3.87Å; R271-L275 PolarHBondContact O-N 2.92Å; V272-L275 HydrophobicContact CB-CD1 4.04Å; V272-L275 HydrophobicContact CG1-CD1 4Å; V272-L275 WeakPolarHBondContact O-CB 3.44Å; V272-L275 PolarHBondContact O-N 3.12Å; V272-L275 VanDerWaalsContact O-N 3.17Å; L275-K277 PolarHBondContact O-N 3.33Å; L275-K277 VanDerWaalsContact O-N 3.14Å
276	P	96.7	Very high	97.4	Very high	19 Å²	19	37.5 Å²	37.5	12%	0.123	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-16.1	177.6	-28.8	38.7	0	0	0	115.2	L233 W236 E237 V272 H278	L233-P276 HydrophobicContact CD1-CG 4.28Å; W236-P276 HydrophobicContact CB-CG 3.93Å; E237-P276 HydrophobicContact CG-CB 3.84Å; E237-P276 HydrophobicContact CG-CG 3.98Å; V272-P276 WeakPolarHBondContact O-CD 3.28Å; P276-H278 VanDerWaalsContact CB-CD2 3.44Å; P276-H278 WeakPolarHBondContact CB-CD2 3.48Å; P276-H278 VanDerWaalsContact CB-NE2 3.27Å; P276-H278 WeakPolarHBondContact CB-NE2 3.02Å; P276-H278 PolarHBondContact O-N 2.84Å
277	K	93.4	Very high	97.4	Very high	193 Å²	193	37.5 Å²	37.5	84%	0.839	19%	0.19	S	C	*	.			trans	53.6	36.2	-175.8	-58	180	179.4	-177.5	0	113.7	A274 L275	A274-K277 PolarHBondContact O-N 3.17Å; L275-K277 PolarHBondContact O-N 3.33Å; L275-K277 VanDerWaalsContact O-N 3.14Å
278	H	92.4	Very high	97.4	Very high	102 Å²	102	35 Å²	35	47%	0.472	18%	0.178	S	C	.	.			trans	-65.3	167.4	168	-62	-39.9	0	0	0	111.2	P276 S280	P276-H278 VanDerWaalsContact CB-CD2 3.44Å; P276-H278 WeakPolarHBondContact CB-CD2 3.48Å; P276-H278 VanDerWaalsContact CB-NE2 3.27Å; P276-H278 WeakPolarHBondContact CB-NE2 3.02Å; P276-H278 PolarHBondContact O-N 2.84Å; H278-S280 PolarHBondContact O-N 2.97Å; H278-S280 VanDerWaalsContact O-N 3.11Å
279	L	91.9	Very high	97.4	Very high	169 Å²	169	35.8 Å²	35.8	89%	0.885	18%	0.18	S	C	*	.	S	Bend	trans	-56.5	-26.6	176.1	-65.2	176.1	0	0	0	112.8
280	S	95.9	Very high	97.3	Very high	25 Å²	25	35.8 Å²	35.8	18%	0.175	18%	0.181	C	C	.	.	S	Bend	trans	-144.7	153.4	172.8	57.6	0	0	0	0	111.8	P22 H278	P22-S280 CarbonylContact O-C 3.55Å; P22-S280 WeakPolarHBondContact O-CA 3.4Å; H278-S280 PolarHBondContact O-N 2.97Å; H278-S280 VanDerWaalsContact O-N 3.11Å
281	T	97.6	Very high	97.3	Very high	9 Å²	9	34.3 Å²	34.3	6%	0.055	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-75.4	143.9	171.1	63.8	0	0	0	0	111.1	P21 P22 T23 E24 A274	P21-T281 HydrophobicContact CB-CG2 4.03Å; P21-T281 HydrophobicContact CG-CG2 3.86Å; P22-T281 PolarHBondContact O-N 3.33Å; P22-T281 PolarHBondContact O-OG1 2.69Å; T23-T281 WeakPolarHBondContact CB-OG1 3.35Å; T23-T281 PolarHBondContact OG1-O 2.78Å; T23-T281 PolarHBondContact OG1-OG1 2.91Å; E24-T281 PolarHBondContact N-O 3.03Å; E24-T281 VanDerWaalsContact N-O 3.11Å; A274-T281 HydrophobicContact CB-CG2 3.99Å
282	V	98.1	Very high	97.3	Very high	12 Å²	12	31.1 Å²	31.1	7%	0.073	16%	0.161	C	C	.	.	P	Polyproline II helix	trans	-68.1	146.8	172.7	-63.3	0	0	0	0	110.9	S239 L242 A273	S239-V282 WeakPolarHBondContact O-CG1 3.43Å; L242-V282 HydrophobicContact CD1-CG2 4.39Å; L242-V282 HydrophobicContact CG-CG2 3.97Å; A273-V282 HydrophobicContact CB-CG2 3.86Å
283	P	98.3	Very high	97.2	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.013	18%	0.177	C	C	.	.	P	Polyproline II helix	trans	-66.7	148.2	179.3	28.2	-36	0	0	0	112.1	R198 T240 A241 L242 Y285 S318	R198-P283 HydrophobicContact CG-CG 4.5Å; T240-P283 WeakPolarHBondContact O-CD 3.39Å; A241-P283 WeakPolarHBondContact CA-O 3.38Å; A241-P283 HydrophobicContact CB-CG 4.22Å; L242-P283 PolarHBondContact N-O 3.02Å; P283-Y285 HydrophobicContact CB-CD2 4.42Å; P283-Y285 HydrophobicContact CB-CE2 3.62Å; P283-Y285 HydrophobicContact CG-CE2 3.76Å; P283-S318 WeakPolarHBondContact CB-OG 3.4Å
284	V	98.9	Very high	97	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.006	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-110	120.3	177.4	177.5	0	0	0	0	109.1	L242 P244 A269 L270 V286 S318 G319	L242-V284 HydrophobicContact CB-CG2 4.34Å; L242-V284 HydrophobicContact CD1-CG2 4.46Å; P244-V284 HydrophobicContact CG-CG1 3.99Å; A269-V284 HydrophobicContact CB-CG1 3.79Å; A269-V284 HydrophobicContact CB-CG2 4.09Å; L270-V284 HydrophobicContact CD2-CB 4.45Å; L270-V284 HydrophobicContact CD2-CG2 3.86Å; L270-V284 HydrophobicContact CG-CG2 4.43Å; V284-V286 HydrophobicContact CG1-CG1 4.09Å; V284-S318 PolarHBondContact O-N 2.9Å; V284-G319 PolarHBondContact O-N 2.87Å
285	Y	98.9	Very high	96.9	Very high	3 Å²	3	41.3 Å²	41.3	1%	0.012	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	105.2	173.9	-62.5	-84.1	0	0	0	109.1	L27 V34 L125 A241 L242 F243 P283 G319	L27-Y285 WeakPolarHBondContact CB-OH 3.21Å; L27-Y285 HydrophobicContact CD2-CE1 4.48Å; V34-Y285 HydrophobicContact CG2-CD1 4.31Å; V34-Y285 HydrophobicContact CG2-CE1 3.76Å; L125-Y285 HydrophobicContact CD1-CD1 4.25Å; L125-Y285 HydrophobicContact CD1-CD2 4.38Å; L125-Y285 HydrophobicContact CD1-CG 4.12Å; L125-Y285 HydrophobicContact CD2-CD2 3.83Å; L125-Y285 HydrophobicContact CD2-CE2 3.66Å; L125-Y285 HydrophobicContact CD2-CG 4.36Å; A241-Y285 HydrophobicContact CB-CD2 4.09Å; A241-Y285 HydrophobicContact CB-CE2 4.27Å; L242-Y285 PolarHBondContact O-N 2.87Å; F243-Y285 WeakPolarHBondContact CA-O 3.49Å; F243-Y285 AromaticContact CE1-CD2 3.98Å; F243-Y285 HydrophobicContact CE1-CD2 3.98Å; F243-Y285 HydrophobicContact CE1-CG 4.21Å; P283-Y285 HydrophobicContact CB-CD2 4.42Å; P283-Y285 HydrophobicContact CB-CE2 3.62Å; P283-Y285 HydrophobicContact CG-CE2 3.76Å; Y285-G319 WeakPolarHBondContact CA-O 3.24Å
286	V	98.9	Very high	96.8	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	139.7	-176.4	-56.1	0	0	0	0	111.2	P244 I246 V266 V284 A317 G319 V320 V321	P244-V286 HydrophobicContact CG-CB 4.48Å; P244-V286 HydrophobicContact CG-CG1 3.91Å; P244-V286 WeakPolarHBondContact O-CA 3.46Å; I246-V286 HydrophobicContact CD1-CB 4.06Å; I246-V286 HydrophobicContact CD1-CG2 3.58Å; I246-V286 HydrophobicContact CG1-CB 4.09Å; I246-V286 HydrophobicContact CG1-CG2 4.07Å; I246-V286 HydrophobicContact CG2-CB 4.27Å; I246-V286 HydrophobicContact CG2-CG1 4.47Å; V266-V286 HydrophobicContact CG2-CG1 3.99Å; V284-V286 HydrophobicContact CG1-CG1 4.09Å; V286-A317 HydrophobicContact CG1-CB 4.47Å; V286-G319 PolarHBondContact N-O 2.8Å; V286-V320 HydrophobicContact CG2-CB 4.1Å; V286-V320 HydrophobicContact CG2-CG2 3.97Å; V286-V320 CarbonylContact O-C 3.53Å; V286-V320 VanDerWaalsContact O-CA 3.31Å; V286-V320 WeakPolarHBondContact O-CA 3.35Å; V286-V320 WeakPolarHBondContact O-CG2 3.29Å; V286-V321 PolarHBondContact O-N 2.98Å
287	Y	98.9	Very high	96.8	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	120	172.6	-96.3	-105.8	0	0	0	110.2	I72 V127 Y202 F243 P244 I246 Y247 V321 W323	I72-Y287 HydrophobicContact CD1-CE1 4.48Å; V127-Y287 HydrophobicContact CG1-CE2 4.11Å; V127-Y287 HydrophobicContact CG2-CE2 4.24Å; V127-Y287 WeakPolarHBondContact CG2-OH 3.42Å; Y202-Y287 AromaticContact CD2-CD1 3.78Å; Y202-Y287 HydrophobicContact CD2-CD1 3.78Å; Y202-Y287 AromaticContact CD2-CD2 3.89Å; Y202-Y287 HydrophobicContact CD2-CD2 3.89Å; Y202-Y287 HydrophobicContact CD2-CE1 4.08Å; Y202-Y287 HydrophobicContact CD2-CE2 4.18Å; Y202-Y287 AromaticContact CD2-CG 3.67Å; Y202-Y287 HydrophobicContact CD2-CG 3.67Å; Y202-Y287 AromaticContact CE2-CD1 3.68Å; Y202-Y287 HydrophobicContact CE2-CD1 3.68Å; Y202-Y287 HydrophobicContact CE2-CD2 4.35Å; Y202-Y287 HydrophobicContact CE2-CE1 4.34Å; Y202-Y287 AromaticContact CE2-CG 3.67Å; Y202-Y287 HydrophobicContact CE2-CG 3.67Å; F243-Y287 HydrophobicContact CB-CD2 4.03Å; F243-Y287 HydrophobicContact CB-CE2 4.05Å; F243-Y287 HydrophobicContact CD1-CD2 4.28Å; F243-Y287 AromaticContact CD1-CE2 3.84Å; F243-Y287 HydrophobicContact CD1-CE2 3.84Å; F243-Y287 HydrophobicContact CG-CE2 4.22Å; P244-Y287 PolarHBondContact O-N 2.82Å; I246-Y287 WeakPolarHBondContact CG1-O 3.24Å; I246-Y287 PolarHBondContact N-O 3.45Å; Y247-Y287 WeakPolarHBondContact CD1-O 3.11Å; Y247-Y287 WeakPolarHBondContact CE1-O 3.44Å; Y287-V321 WeakPolarHBondContact CA-O 3.41Å; Y287-V321 HydrophobicContact CD1-CB 4.25Å; Y287-V321 HydrophobicContact CD1-CG1 4.04Å; Y287-V321 HydrophobicContact CD2-CB 3.98Å; Y287-V321 HydrophobicContact CD2-CG1 4.44Å; Y287-V321 HydrophobicContact CD2-CG2 4.33Å; Y287-V321 HydrophobicContact CE1-CB 4.17Å; Y287-V321 HydrophobicContact CE1-CG1 3.6Å; Y287-V321 HydrophobicContact CE2-CB 3.88Å; Y287-V321 HydrophobicContact CE2-CG1 4.04Å; Y287-V321 HydrophobicContact CE2-CG2 3.96Å; Y287-V321 HydrophobicContact CG-CB 4.17Å; Y287-V321 HydrophobicContact CG-CG1 4.45Å; Y287-W323 HydrophobicContact CD1-CB 3.81Å; Y287-W323 HydrophobicContact CD1-CG 4.31Å; Y287-W323 HydrophobicContact CE1-CB 3.98Å; Y287-W323 HydrophobicContact CE1-CG 4.22Å
288	S	98.6	Very high	97	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	176.2	174	-166.7	0	0	0	0	110.4	V321 W323	S288-V321 PolarHBondContact N-O 3.16Å; S288-W323 PolarHBondContact O-N 3.35Å
289	R	98	Very high	97.3	Very high	20 Å²	20	40.2 Å²	40.2	8%	0.075	20%	0.201	C	C	.	.			trans	-133.2	149.5	177.7	-65.8	-175.5	70.8	165.9	-4.3	110.2	Y247 L291 Q300 W323 D328	Y247-R289 HydrophobicContact CD1-CG 3.65Å; Y247-R289 HydrophobicContact CD2-CG 4.3Å; Y247-R289 HydrophobicContact CE1-CG 3.54Å; Y247-R289 HydrophobicContact CE2-CG 4.22Å; Y247-R289 HydrophobicContact CG-CG 4.04Å; R289-L291 WeakPolarHBondContact CB-O 3.29Å; R289-L291 PolarHBondContact O-N 3.12Å; R289-Q300 PolarHBondContact O-NE2 3.32Å; R289-W323 HydrophobicContact CG-CE3 4.22Å; R289-W323 WeakPolarHBondContact CG-O 3.41Å; R289-D328 IonicContact CZ-OD2 3.52Å; R289-D328 IonicContact NE-OD2 3.57Å; R289-D328 IonicContact NH2-OD1 2.86Å; R289-D328 PolarHBondContact NH2-OD1 3.05Å; R289-D328 IonicContact NH2-OD2 2.78Å; R289-D328 PolarHBondContact NH2-OD2 3.48Å
290	P	97.9	Very high	97.6	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.006	16%	0.159	C	C	.	.	S	Bend	trans	-62.5	-36.9	167.5	-22.1	36.1	0	0	0	111.4	W37 F299 Q300 I322 W323 Y329 Y341 L346	W37-P290 HydrophobicContact CH2-CG 3.8Å; W37-P290 HydrophobicContact CZ3-CG 3.79Å; P290-F299 HydrophobicContact CB-CD1 3.96Å; P290-F299 HydrophobicContact CB-CE1 4.14Å; P290-F299 WeakPolarHBondContact O-CA 3.43Å; P290-Q300 PolarHBondContact O-N 2.85Å; P290-I322 VanDerWaalsContact CD-CG2 3.47Å; P290-I322 HydrophobicContact CG-CG2 3.42Å; P290-I322 VanDerWaalsContact CG-CG2 3.42Å; P290-W323 WeakPolarHBondContact CD-O 3.33Å; P290-Y329 WeakPolarHBondContact CB-OH 3.01Å; P290-Y329 VanDerWaalsContact CG-OH 3.3Å; P290-Y329 WeakPolarHBondContact CG-OH 3.27Å; P290-Y341 HydrophobicContact CB-CD1 4.34Å; P290-Y341 HydrophobicContact CB-CE1 3.93Å; P290-L346 HydrophobicContact CB-CD2 4.22Å; P290-L346 HydrophobicContact CG-CD2 4.23Å
291	L	98.4	Very high	97.8	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.158	C	C	.	.	B	Isolated β-bridge	trans	-89.3	155.2	179.3	-64.7	157.6	0	0	0	111.1	R289 M298 F299 D328 Y329	R289-L291 WeakPolarHBondContact CB-O 3.29Å; R289-L291 PolarHBondContact O-N 3.12Å; L291-M298 CarbonylContact C-O 3.53Å; L291-M298 VanDerWaalsContact CA-O 3.31Å; L291-M298 WeakPolarHBondContact CA-O 3.18Å; L291-F299 HydrophobicContact CD2-CD1 3.74Å; L291-F299 HydrophobicContact CD2-CD2 4.1Å; L291-F299 HydrophobicContact CD2-CE1 3.76Å; L291-F299 HydrophobicContact CD2-CE2 4.09Å; L291-F299 HydrophobicContact CD2-CG 3.93Å; L291-F299 HydrophobicContact CD2-CZ 3.94Å; L291-F299 HydrophobicContact CG-CD1 4.08Å; L291-F299 HydrophobicContact CG-CE1 4.01Å; L291-D328 HydrophobicContact CD1-CB 3.72Å; L291-Y329 HydrophobicContact CD1-CE1 4.14Å
292	Y	98.6	Very high	97.8	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-62.9	150.7	163.2	-66.3	-82.1	0	0	0	110.2	L248 I250 R253 D294 Q295 M298 F299 Q300 T301 D304	L248-Y292 HydrophobicContact CB-CD1 4.34Å; L248-Y292 HydrophobicContact CD2-CD1 4.21Å; L248-Y292 HydrophobicContact CD2-CE1 3.79Å; L248-Y292 HydrophobicContact CG-CD1 4.22Å; L248-Y292 HydrophobicContact CG-CE1 4.26Å; L248-Y292 CarbonylContact O-C 3.42Å; L248-Y292 WeakPolarHBondContact O-CA 3.4Å; I250-Y292 HydrophobicContact CB-CG 4.22Å; I250-Y292 HydrophobicContact CD1-CD1 4.27Å; I250-Y292 HydrophobicContact CD1-CD2 3.28Å; I250-Y292 HydrophobicContact CD1-CE2 3.62Å; I250-Y292 HydrophobicContact CD1-CG 3.65Å; R253-Y292 HydrophobicContact CB-CE1 3.95Å; R253-Y292 HydrophobicContact CB-CE2 4.45Å; R253-Y292 WeakPolarHBondContact CD-OH 3.41Å; R253-Y292 HydrophobicContact CG-CE1 4.43Å; R253-Y292 HydrophobicContact CG-CE2 4.32Å; R253-Y292 WeakPolarHBondContact CG-OH 3.46Å; Y292-D294 PolarHBondContact O-N 3.38Å; Y292-Q295 WeakPolarHBondContact O-CB 3.39Å; Y292-Q295 PolarHBondContact O-N 2.79Å; Y292-Q295 VanDerWaalsContact O-N 3.07Å; Y292-M298 HydrophobicContact CD2-CB 3.94Å; Y292-M298 VanDerWaalsContact CD2-O 3.29Å; Y292-M298 WeakPolarHBondContact CD2-O 3.41Å; Y292-M298 PolarHBondContact N-O 3.3Å; Y292-F299 WeakPolarHBondContact CE2-O 3.47Å; Y292-Q300 HydrophobicContact CD1-CG 4.18Å; Y292-Q300 HydrophobicContact CE1-CG 4.08Å; Y292-Q300 HydrophobicContact CE2-CG 4.48Å; Y292-Q300 HydrophobicContact CG-CG 4.41Å; Y292-T301 PolarHBondContact OH-N 2.81Å; Y292-D304 HydrophobicContact CE1-CB 4.5Å; Y292-D304 WeakPolarHBondContact CE1-OD2 3.19Å; Y292-D304 VanDerWaalsContact CZ-OD2 3.31Å; Y292-D304 PolarHBondContact OH-OD2 2.99Å
293	R	96.7	Very high	97.8	Very high	90 Å²	90	40.7 Å²	40.7	34%	0.34	20%	0.201	S	C	.	.	B	Isolated β-bridge	trans	-52.3	134.2	178.2	-171.6	-166.5	158.2	162	5.3	110.4	L248 Q295	L248-R293 WeakPolarHBondContact O-CB 3.46Å; L248-R293 PolarHBondContact O-N 3.21Å; R293-Q295 PolarHBondContact O-N 3.3Å
294	D	93.3	Very high	97.9	Very high	107 Å²	107	40.6 Å²	40.6	57%	0.572	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.9	19.1	178.4	-51.4	-37.5	0	0	0	113.7	Y292	Y292-D294 PolarHBondContact O-N 3.38Å
295	Q	96.6	Very high	97.9	Very high	61 Å²	61	40.6 Å²	40.6	29%	0.285	20%	0.201	S	C	.	.			trans	-113.8	148.8	172.9	-53.4	-57.9	-59.7	0	0	110.9	I250 Y292 R293 M298	I250-Q295 HydrophobicContact CB-CG 4.26Å; Y292-Q295 WeakPolarHBondContact O-CB 3.39Å; Y292-Q295 PolarHBondContact O-N 2.79Å; Y292-Q295 VanDerWaalsContact O-N 3.07Å; R293-Q295 PolarHBondContact O-N 3.3Å; Q295-M298 HydrophobicContact CB-CB 3.98Å; Q295-M298 HydrophobicContact CB-CG 4.48Å; Q295-M298 HydrophobicContact CG-CB 4.14Å; Q295-M298 HydrophobicContact CG-CG 4.49Å
296	T	95.3	Very high	97.8	Very high	69 Å²	69	41.9 Å²	41.9	42%	0.423	21%	0.209	S	C	.	.	S	Bend	trans	-113.8	-10.8	176.1	52.5	0	0	0	0	113.7
297	Q	96.1	Very high	97.8	Very high	161 Å²	161	42.6 Å²	42.6	75%	0.752	21%	0.212	S	C	*	.	S	Bend	trans	-125.4	-15.9	-175.4	-65.8	175.5	-19.5	0	0	113.3
298	M	98.1	Very high	97.8	Very high	82 Å²	82	42.6 Å²	42.6	40%	0.404	21%	0.212	S	C	.	.			trans	-98.7	98.2	-174.5	-61.3	-61.2	-70.8	0	0	110.2	I250 L291 Y292 Q295	I250-M298 HydrophobicContact CD1-CB 4.15Å; I250-M298 HydrophobicContact CD1-CE 4.21Å; I250-M298 HydrophobicContact CD1-CG 4.48Å; L291-M298 CarbonylContact C-O 3.53Å; L291-M298 VanDerWaalsContact CA-O 3.31Å; L291-M298 WeakPolarHBondContact CA-O 3.18Å; Y292-M298 HydrophobicContact CD2-CB 3.94Å; Y292-M298 VanDerWaalsContact CD2-O 3.29Å; Y292-M298 WeakPolarHBondContact CD2-O 3.41Å; Y292-M298 PolarHBondContact N-O 3.3Å; Q295-M298 HydrophobicContact CB-CB 3.98Å; Q295-M298 HydrophobicContact CB-CG 4.48Å; Q295-M298 HydrophobicContact CG-CB 4.14Å; Q295-M298 HydrophobicContact CG-CG 4.49Å
299	F	98.7	Very high	97.8	Very high	33 Å²	33	42.6 Å²	42.6	15%	0.145	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-74.9	147.1	173.5	-65.9	-83.4	0	0	0	111.7	P290 L291 Y292 Y329 L338 Y341	P290-F299 HydrophobicContact CB-CD1 3.96Å; P290-F299 HydrophobicContact CB-CE1 4.14Å; P290-F299 WeakPolarHBondContact O-CA 3.43Å; L291-F299 HydrophobicContact CD2-CD1 3.74Å; L291-F299 HydrophobicContact CD2-CD2 4.1Å; L291-F299 HydrophobicContact CD2-CE1 3.76Å; L291-F299 HydrophobicContact CD2-CE2 4.09Å; L291-F299 HydrophobicContact CD2-CG 3.93Å; L291-F299 HydrophobicContact CD2-CZ 3.94Å; L291-F299 HydrophobicContact CG-CD1 4.08Å; L291-F299 HydrophobicContact CG-CE1 4.01Å; Y292-F299 WeakPolarHBondContact CE2-O 3.47Å; F299-Y329 HydrophobicContact CE1-CE1 4.06Å; F299-Y329 HydrophobicContact CZ-CE1 4.12Å; F299-L338 HydrophobicContact CE1-CD1 4.06Å; F299-L338 HydrophobicContact CZ-CB 4.23Å; F299-Y341 HydrophobicContact CB-CD1 4.05Å; F299-Y341 HydrophobicContact CB-CD2 3.62Å; F299-Y341 HydrophobicContact CB-CE1 4.04Å; F299-Y341 HydrophobicContact CB-CE2 3.65Å; F299-Y341 HydrophobicContact CB-CG 3.83Å; F299-Y341 AromaticContact CD1-CD1 3.23Å; F299-Y341 HydrophobicContact CD1-CD1 3.23Å; F299-Y341 HydrophobicContact CD1-CD2 4.29Å; F299-Y341 AromaticContact CD1-CE1 3.63Å; F299-Y341 HydrophobicContact CD1-CE1 3.63Å; F299-Y341 AromaticContact CD1-CG 3.6Å; F299-Y341 HydrophobicContact CD1-CG 3.6Å; F299-Y341 HydrophobicContact CD2-CG 4.32Å; F299-Y341 AromaticContact CE1-CD1 3.81Å; F299-Y341 HydrophobicContact CE1-CD1 3.81Å; F299-Y341 HydrophobicContact CE1-CE1 4.5Å; F299-Y341 HydrophobicContact CE1-CG 4.21Å; F299-Y341 AromaticContact CG-CD1 3.78Å; F299-Y341 HydrophobicContact CG-CD1 3.78Å; F299-Y341 AromaticContact CG-CD2 3.97Å; F299-Y341 HydrophobicContact CG-CD2 3.97Å; F299-Y341 HydrophobicContact CG-CE1 4.18Å; F299-Y341 HydrophobicContact CG-CE2 4.39Å; F299-Y341 AromaticContact CG-CG 3.65Å; F299-Y341 HydrophobicContact CG-CG 3.65Å
300	Q	98.7	Very high	97.9	Very high	2 Å²	2	41.6 Å²	41.6	1%	0.009	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-61.2	142.9	173.9	-64.8	-168.2	35	0	0	110.3	R289 P290 Y292 D304 L305 T308 Y341	R289-Q300 PolarHBondContact O-NE2 3.32Å; P290-Q300 PolarHBondContact O-N 2.85Å; Y292-Q300 HydrophobicContact CD1-CG 4.18Å; Y292-Q300 HydrophobicContact CE1-CG 4.08Å; Y292-Q300 HydrophobicContact CE2-CG 4.48Å; Y292-Q300 HydrophobicContact CG-CG 4.41Å; Q300-D304 HydrophobicContact CB-CB 4.25Å; Q300-L305 HydrophobicContact CB-CD2 4.26Å; Q300-T308 PolarHBondContact OE1-OG1 3.26Å; Q300-Y341 WeakPolarHBondContact O-CE2 3.34Å; Q300-Y341 VanDerWaalsContact O-CZ 3.32Å; Q300-Y341 PolarHBondContact O-OH 3.06Å
301	T	98.8	Very high	97.9	Very high	24 Å²	24	41.6 Å²	41.6	15%	0.147	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-76.2	165	173.4	61.3	0	0	0	0	110.5	N254 Y292 T303 D304 L305	N254-T301 WeakPolarHBondContact OD1-CB 3.28Å; N254-T301 WeakPolarHBondContact OD1-CG2 3.49Å; N254-T301 PolarHBondContact OD1-OG1 3.38Å; Y292-T301 PolarHBondContact OH-N 2.81Å; T301-T303 PolarHBondContact O-N 2.99Å; T301-D304 PolarHBondContact O-N 2.73Å; T301-D304 PolarHBondContact OG1-N 3.03Å; T301-D304 VanDerWaalsContact OG1-N 3.14Å; T301-L305 WeakPolarHBondContact O-CG 3.27Å; T301-L305 PolarHBondContact O-N 3.19Å
302	Q	98.6	Very high	97.9	Very high	123 Å²	123	41.6 Å²	41.6	58%	0.575	21%	0.209	S	C	*	.	H	α-helix	trans	-55.8	-38.7	170.1	-173.8	174.2	-22.9	0	0	112.2	D304 L305 V306 T345 Y349	Q302-D304 VanDerWaalsContact C-N 3.28Å; Q302-D304 PolarHBondContact O-N 3.39Å; Q302-L305 WeakPolarHBondContact O-CB 3.47Å; Q302-L305 PolarHBondContact O-N 3.49Å; Q302-V306 WeakPolarHBondContact O-CG2 3.26Å; Q302-V306 PolarHBondContact O-N 2.9Å; Q302-T345 HydrophobicContact CB-CG2 4.28Å; Q302-Y349 HydrophobicContact CG-CD2 4.19Å
303	T	98.6	Very high	98	Very high	75 Å²	75	41.8 Å²	41.8	46%	0.46	21%	0.21	S	C	.	.	H	α-helix	trans	-57.3	-41	173.7	-56.6	0	0	0	0	112	T301 V306 N307	T301-T303 PolarHBondContact O-N 2.99Å; T303-V306 WeakPolarHBondContact O-CB 3.45Å; T303-V306 PolarHBondContact O-N 3.42Å; T303-N307 VanDerWaalsContact O-CG 3.3Å; T303-N307 PolarHBondContact O-N 3.36Å; T303-N307 PolarHBondContact O-ND2 3.06Å
304	D	98.8	Very high	98.1	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-79.4	-25.8	178.4	-72.4	-30.3	0	0	0	113.2	L248 R253 N254 Y292 Q300 T301 Q302 V306 N307 T308	L248-D304 HydrophobicContact CD2-CB 3.69Å; R253-D304 VanDerWaalsContact CA-OD2 3.23Å; R253-D304 WeakPolarHBondContact CA-OD2 3.26Å; N254-D304 PolarHBondContact N-OD1 3.36Å; N254-D304 VanDerWaalsContact N-OD1 3.1Å; N254-D304 PolarHBondContact N-OD2 2.92Å; Y292-D304 HydrophobicContact CE1-CB 4.5Å; Y292-D304 WeakPolarHBondContact CE1-OD2 3.19Å; Y292-D304 VanDerWaalsContact CZ-OD2 3.31Å; Y292-D304 PolarHBondContact OH-OD2 2.99Å; Q300-D304 HydrophobicContact CB-CB 4.25Å; T301-D304 PolarHBondContact O-N 2.73Å; T301-D304 PolarHBondContact OG1-N 3.03Å; T301-D304 VanDerWaalsContact OG1-N 3.14Å; Q302-D304 VanDerWaalsContact C-N 3.28Å; Q302-D304 PolarHBondContact O-N 3.39Å; D304-V306 VanDerWaalsContact C-N 3.31Å; D304-N307 CarbonylContact O-C 3.51Å; D304-N307 PolarHBondContact O-N 2.89Å; D304-N307 PolarHBondContact OD1-ND2 2.86Å; D304-T308 WeakPolarHBondContact O-CB 3.48Å; D304-T308 VanDerWaalsContact O-CG2 3.3Å; D304-T308 WeakPolarHBondContact O-CG2 3.23Å; D304-T308 PolarHBondContact O-N 3.04Å; D304-T308 PolarHBondContact O-OG1 3.4Å
305	L	98.9	Very high	98.3	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.005	17%	0.167	C	C	.	.	H	α-helix	trans	-63.6	-37.1	166.3	-65.2	-177.9	0	0	0	111.7	Q300 T301 Q302 T308 L309 G310 T345 L346 Y349	Q300-L305 HydrophobicContact CB-CD2 4.26Å; T301-L305 WeakPolarHBondContact O-CG 3.27Å; T301-L305 PolarHBondContact O-N 3.19Å; Q302-L305 WeakPolarHBondContact O-CB 3.47Å; Q302-L305 PolarHBondContact O-N 3.49Å; L305-T308 WeakPolarHBondContact CA-OG1 3.22Å; L305-T308 PolarHBondContact O-N 3.15Å; L305-T308 PolarHBondContact O-OG1 2.7Å; L305-L309 HydrophobicContact CD2-CD1 4.4Å; L305-L309 PolarHBondContact O-N 3.39Å; L305-G310 PolarHBondContact O-N 3.02Å; L305-T345 HydrophobicContact CD1-CG2 3.91Å; L305-L346 HydrophobicContact CD1-CD1 3.95Å; L305-L346 HydrophobicContact CD2-CD1 3.92Å; L305-Y349 HydrophobicContact CB-CD1 3.68Å; L305-Y349 HydrophobicContact CB-CD2 4.19Å; L305-Y349 HydrophobicContact CB-CE1 3.7Å; L305-Y349 HydrophobicContact CB-CE2 4.19Å; L305-Y349 HydrophobicContact CB-CG 3.95Å; L305-Y349 HydrophobicContact CD1-CD1 3.96Å; L305-Y349 HydrophobicContact CD1-CG 3.91Å; L305-Y349 HydrophobicContact CG-CD1 4.38Å; L305-Y349 PolarHBondContact O-OH 3.43Å
306	V	98.8	Very high	98.4	Very high	30 Å²	30	29.6 Å²	29.6	18%	0.182	15%	0.154	C	C	.	.	I	π-helix	trans	-59.7	-50	168.7	173.1	0	0	0	0	110.5	Q302 T303 D304 T308 G310 E311 Y349 Y381	Q302-V306 WeakPolarHBondContact O-CG2 3.26Å; Q302-V306 PolarHBondContact O-N 2.9Å; T303-V306 WeakPolarHBondContact O-CB 3.45Å; T303-V306 PolarHBondContact O-N 3.42Å; D304-V306 VanDerWaalsContact C-N 3.31Å; V306-T308 PolarHBondContact O-N 2.97Å; V306-G310 CarbonylContact O-C 3.48Å; V306-G310 WeakPolarHBondContact O-CA 3.47Å; V306-G310 PolarHBondContact O-N 3.39Å; V306-E311 PolarHBondContact O-N 3.39Å; V306-Y349 VanDerWaalsContact CA-OH 3.27Å; V306-Y349 WeakPolarHBondContact CA-OH 3.4Å; V306-Y349 HydrophobicContact CG2-CE2 3.74Å; V306-Y349 PolarHBondContact N-OH 2.9Å; V306-Y381 HydrophobicContact CG1-CD1 4.07Å; V306-Y381 HydrophobicContact CG1-CD2 3.89Å; V306-Y381 HydrophobicContact CG1-CE1 3.81Å; V306-Y381 HydrophobicContact CG1-CE2 3.65Å; V306-Y381 HydrophobicContact CG1-CG 4.09Å
307	N	98.7	Very high	98.5	Very high	15 Å²	15	26.4 Å²	26.4	8%	0.08	14%	0.135	C	C	.	.	I	π-helix	trans	-71.3	-11.4	-178.6	-64.9	-33.7	0	0	0	114.5	A258 A259 V262 T303 D304 E311	A258-N307 HydrophobicContact CB-CB 3.83Å; A259-N307 HydrophobicContact CB-CB 4.25Å; V262-N307 WeakPolarHBondContact CB-O 3.26Å; V262-N307 WeakPolarHBondContact CG2-O 3.35Å; T303-N307 VanDerWaalsContact O-CG 3.3Å; T303-N307 PolarHBondContact O-N 3.36Å; T303-N307 PolarHBondContact O-ND2 3.06Å; D304-N307 CarbonylContact O-C 3.51Å; D304-N307 PolarHBondContact O-N 2.89Å; D304-N307 PolarHBondContact OD1-ND2 2.86Å; N307-E311 WeakPolarHBondContact O-CB 3.39Å
308	T	98.8	Very high	98.7	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.1	C	C	.	.	I	π-helix	trans	-112.1	-76.2	179.8	54.8	0	0	0	0	111.9	L248 V262 Q300 D304 L305 V306 S312	L248-T308 HydrophobicContact CB-CG2 4.3Å; L248-T308 HydrophobicContact CD2-CG2 4.11Å; V262-T308 HydrophobicContact CG2-CG2 3.83Å; Q300-T308 PolarHBondContact OE1-OG1 3.26Å; D304-T308 WeakPolarHBondContact O-CB 3.48Å; D304-T308 VanDerWaalsContact O-CG2 3.3Å; D304-T308 WeakPolarHBondContact O-CG2 3.23Å; D304-T308 PolarHBondContact O-N 3.04Å; D304-T308 PolarHBondContact O-OG1 3.4Å; L305-T308 WeakPolarHBondContact CA-OG1 3.22Å; L305-T308 PolarHBondContact O-N 3.15Å; L305-T308 PolarHBondContact O-OG1 2.7Å; V306-T308 PolarHBondContact O-N 2.97Å; T308-S312 WeakPolarHBondContact O-CB 3.39Å; T308-S312 PolarHBondContact O-N 2.86Å; T308-S312 PolarHBondContact O-OG 3.3Å
309	L	98.8	Very high	98.7	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.081	C	C	.	.	I	π-helix	trans	-68.3	-45.3	-177.9	-85.7	62	0	0	0	111.3	L305 S312 A313 V320 I322 L346 Y349 V350	L305-L309 HydrophobicContact CD2-CD1 4.4Å; L305-L309 PolarHBondContact O-N 3.39Å; L309-S312 PolarHBondContact O-N 3.42Å; L309-A313 PolarHBondContact O-N 3.01Å; L309-V320 HydrophobicContact CD1-CG2 4.03Å; L309-V320 HydrophobicContact CD2-CG1 4.16Å; L309-V320 HydrophobicContact CG-CB 4.34Å; L309-V320 HydrophobicContact CG-CG1 3.99Å; L309-V320 HydrophobicContact CG-CG2 4.13Å; L309-I322 HydrophobicContact CD1-CD1 4.08Å; L309-I322 HydrophobicContact CD2-CD1 4.25Å; L309-L346 HydrophobicContact CD2-CD1 4.4Å; L309-Y349 HydrophobicContact CB-CE1 3.71Å; L309-Y349 HydrophobicContact CD2-CD1 4.3Å; L309-Y349 HydrophobicContact CD2-CE1 4.23Å; L309-V350 HydrophobicContact CD2-CG2 3.93Å
310	G	98.8	Very high	98.7	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.074	C	C	.	.	I	π-helix	trans	-62.5	-46	178.7	0	0	0	0	0	111.7	L305 V306 S312 A313 A314 Y349	L305-G310 PolarHBondContact O-N 3.02Å; V306-G310 CarbonylContact O-C 3.48Å; V306-G310 WeakPolarHBondContact O-CA 3.47Å; V306-G310 PolarHBondContact O-N 3.39Å; G310-S312 VanDerWaalsContact C-N 3.3Å; G310-S312 PolarHBondContact O-N 2.78Å; G310-A313 PolarHBondContact O-N 3.01Å; G310-A314 WeakPolarHBondContact O-CB 3.45Å; G310-A314 PolarHBondContact O-N 3.37Å; G310-Y349 WeakPolarHBondContact CA-OH 3.25Å; G310-Y349 PolarHBondContact N-OH 3.37Å
311	E	98.9	Very high	98.7	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-60.4	-40.7	176	-170.4	62.8	-175	0	0	111.6	V262 R263 V306 N307 L315 R373 Y381	V262-E311 HydrophobicContact CG1-CB 4.26Å; V262-E311 HydrophobicContact CG1-CG 4.27Å; R263-E311 HydrophobicContact CB-CG 4.15Å; R263-E311 WeakPolarHBondContact CB-OE1 3.37Å; R263-E311 WeakPolarHBondContact CG-OE1 3.25Å; R263-E311 IonicContact CZ-OE1 2.88Å; R263-E311 VanDerWaalsContact CZ-OE1 3.31Å; R263-E311 IonicContact NE-OE1 2.9Å; R263-E311 PolarHBondContact NE-OE1 3.41Å; R263-E311 IonicContact NH2-OE1 3.96Å; R263-E311 PolarHBondContact NH2-OE1 3.07Å; R263-E311 IonicContact NH2-OE2 2.81Å; V306-E311 PolarHBondContact O-N 3.39Å; N307-E311 WeakPolarHBondContact O-CB 3.39Å; E311-L315 HydrophobicContact CG-CD1 3.97Å; E311-L315 WeakPolarHBondContact O-CB 3.49Å; E311-L315 WeakPolarHBondContact O-CD1 3.15Å; E311-L315 WeakPolarHBondContact O-CG 3.22Å; E311-L315 PolarHBondContact O-N 3.46Å; E311-L315 VanDerWaalsContact O-N 3.16Å; E311-R373 VanDerWaalsContact CD-NH1 3.25Å; E311-R373 IonicContact OE1-CZ 3.98Å; E311-R373 IonicContact OE1-NH1 2.99Å; E311-R373 PolarHBondContact OE1-NH1 3.31Å; E311-R373 IonicContact OE2-CZ 2.68Å; E311-R373 IonicContact OE2-NH1 3.27Å; E311-R373 PolarHBondContact OE2-NH1 3.12Å; E311-R373 IonicContact OE2-NH2 3.69Å; E311-R373 PolarHBondContact OE2-NH2 2.82Å; E311-Y381 HydrophobicContact CB-CE1 4.09Å; E311-Y381 WeakPolarHBondContact OE2-CE1 3.5Å
312	S	98.9	Very high	98.7	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-66.7	-45.5	178.9	-57.7	0	0	0	0	112.4	T308 L309 G310 L315 G316 A317	T308-S312 WeakPolarHBondContact O-CB 3.39Å; T308-S312 PolarHBondContact O-N 2.86Å; T308-S312 PolarHBondContact O-OG 3.3Å; L309-S312 PolarHBondContact O-N 3.42Å; G310-S312 VanDerWaalsContact C-N 3.3Å; G310-S312 PolarHBondContact O-N 2.78Å; S312-L315 PolarHBondContact O-N 3.14Å; S312-G316 PolarHBondContact O-N 2.7Å; S312-A317 WeakPolarHBondContact O-CB 3.38Å; S312-A317 PolarHBondContact O-N 3.04Å
313	A	98.8	Very high	98.7	Very high	4 Å²	4	8.3 Å²	8.3	3%	0.033	5%	0.047	C	C	.	.	H	α-helix	trans	-61.7	-47	177.2	0	0	0	0	0	111.5	F33 L309 G310 L315 G316 V353	F33-A313 HydrophobicContact CD1-CB 4.11Å; F33-A313 HydrophobicContact CD2-CB 3.67Å; F33-A313 HydrophobicContact CE1-CB 4.22Å; F33-A313 HydrophobicContact CE2-CB 3.79Å; F33-A313 HydrophobicContact CG-CB 3.84Å; F33-A313 HydrophobicContact CZ-CB 4.06Å; L309-A313 PolarHBondContact O-N 3.01Å; G310-A313 PolarHBondContact O-N 3.01Å; A313-L315 VanDerWaalsContact C-N 3.25Å; A313-L315 PolarHBondContact O-N 3.06Å; A313-G316 PolarHBondContact O-N 3.42Å; A313-V353 HydrophobicContact CB-CG2 3.56Å
314	A	98.7	Very high	98.6	Very high	0 Å²	0	4.8 Å²	4.8	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-64.2	-28.7	-178.8	0	0	0	0	0	113.3	G310 G316 R373 Y381 F416	G310-A314 WeakPolarHBondContact O-CB 3.45Å; G310-A314 PolarHBondContact O-N 3.37Å; A314-G316 VanDerWaalsContact C-N 3.31Å; A314-R373 VanDerWaalsContact CB-NH2 3.25Å; A314-R373 VanDerWaalsContact O-CB 3.28Å; A314-R373 WeakPolarHBondContact O-CB 3.44Å; A314-R373 PolarHBondContact O-N 2.91Å; A314-Y381 HydrophobicContact CB-CD1 4.46Å; A314-F416 HydrophobicContact CB-CE1 4.04Å; A314-F416 HydrophobicContact CB-CZ 4.31Å
315	L	98.6	Very high	98.4	Very high	2 Å²	2	5.3 Å²	5.3	1%	0.01	3%	0.03	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-4.3	177.2	-65.1	171.3	0	0	0	113.6	R263 V266 L270 E311 S312 A313	R263-L315 HydrophobicContact CB-CD1 4.13Å; R263-L315 HydrophobicContact CG-CD1 3.95Å; V266-L315 HydrophobicContact CB-CD1 3.9Å; V266-L315 HydrophobicContact CG1-CB 3.78Å; V266-L315 HydrophobicContact CG1-CD1 4.01Å; V266-L315 HydrophobicContact CG2-CD1 4.43Å; L270-L315 HydrophobicContact CD1-CB 4.47Å; L270-L315 WeakPolarHBondContact CD1-O 3.48Å; E311-L315 HydrophobicContact CG-CD1 3.97Å; E311-L315 WeakPolarHBondContact O-CB 3.49Å; E311-L315 WeakPolarHBondContact O-CD1 3.15Å; E311-L315 WeakPolarHBondContact O-CG 3.22Å; E311-L315 PolarHBondContact O-N 3.46Å; E311-L315 VanDerWaalsContact O-N 3.16Å; S312-L315 PolarHBondContact O-N 3.14Å; A313-L315 VanDerWaalsContact C-N 3.25Å; A313-L315 PolarHBondContact O-N 3.06Å
316	G	97.9	Very high	98.2	Very high	1 Å²	1	10.7 Å²	10.7	1%	0.01	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.5	20	177.8	0	0	0	0	0	115	S312 A313 A314 R370	S312-G316 PolarHBondContact O-N 2.7Å; A313-G316 PolarHBondContact O-N 3.42Å; A314-G316 VanDerWaalsContact C-N 3.31Å; G316-R370 PolarHBondContact O-NH1 3.26Å
317	A	98.7	Very high	97.9	Very high	2 Å²	2	18.5 Å²	18.5	2%	0.017	9%	0.09	C	C	.	.			trans	-59.8	147.2	165.7	0	0	0	0	0	110.1	F33 V266 V286 S312 G319	F33-A317 WeakPolarHBondContact CD2-O 3.49Å; F33-A317 HydrophobicContact CE2-CB 4.49Å; V266-A317 HydrophobicContact CG1-CB 4.45Å; V286-A317 HydrophobicContact CG1-CB 4.47Å; S312-A317 WeakPolarHBondContact O-CB 3.38Å; S312-A317 PolarHBondContact O-N 3.04Å; A317-G319 VanDerWaalsContact C-N 3.29Å
318	S	98.7	Very high	97.8	Very high	4 Å²	4	18.1 Å²	18.1	3%	0.028	9%	0.087	C	C	.	.	S	Bend	trans	-78.5	-16.5	177.3	-66	0	0	0	0	112.7	F33 V34 P283 V284 R370	F33-S318 WeakPolarHBondContact CA-O 3.48Å; V34-S318 PolarHBondContact N-O 3.3Å; V34-S318 VanDerWaalsContact N-O 3.08Å; P283-S318 WeakPolarHBondContact CB-OG 3.4Å; V284-S318 PolarHBondContact O-N 2.9Å; S318-R370 VanDerWaalsContact OG-CZ 3.28Å; S318-R370 PolarHBondContact OG-NH1 3.39Å; S318-R370 PolarHBondContact OG-NH2 3.23Å
319	G	98.5	Very high	97.7	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170.4	-173.4	177.2	0	0	0	0	0	113.8	V34 V284 Y285 V286 A317	V34-G319 CarbonylContact O-C 3.56Å; V34-G319 WeakPolarHBondContact O-CA 3.38Å; V284-G319 PolarHBondContact O-N 2.87Å; Y285-G319 WeakPolarHBondContact CA-O 3.24Å; V286-G319 PolarHBondContact N-O 2.8Å; A317-G319 VanDerWaalsContact C-N 3.29Å
320	V	98.9	Very high	97.5	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	136.1	177.2	62	0	0	0	0	110	F33 V34 A35 I36 V286 L309 I322	F33-V320 HydrophobicContact CE1-CG1 4.19Å; F33-V320 HydrophobicContact CZ-CB 4.08Å; F33-V320 HydrophobicContact CZ-CG1 3.89Å; V34-V320 PolarHBondContact O-N 2.92Å; A35-V320 HydrophobicContact CB-CG1 3.81Å; I36-V320 PolarHBondContact N-O 3.3Å; V286-V320 HydrophobicContact CG2-CB 4.1Å; V286-V320 HydrophobicContact CG2-CG2 3.97Å; V286-V320 CarbonylContact O-C 3.53Å; V286-V320 VanDerWaalsContact O-CA 3.31Å; V286-V320 WeakPolarHBondContact O-CA 3.35Å; V286-V320 WeakPolarHBondContact O-CG2 3.29Å; L309-V320 HydrophobicContact CD1-CG2 4.03Å; L309-V320 HydrophobicContact CD2-CG1 4.16Å; L309-V320 HydrophobicContact CG-CB 4.34Å; L309-V320 HydrophobicContact CG-CG1 3.99Å; L309-V320 HydrophobicContact CG-CG2 4.13Å; V320-I322 HydrophobicContact CG1-CD1 4.19Å; V320-I322 HydrophobicContact CG1-CG1 4.41Å; V320-I322 HydrophobicContact CG2-CD1 3.52Å; V320-I322 HydrophobicContact CG2-CG1 4.32Å
321	V	98.9	Very high	97.4	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	117.3	164.5	179.1	0	0	0	0	107.7	I36 N38 L70 L125 V286 Y287 S288 W323	I36-V321 HydrophobicContact CB-CG2 4.49Å; I36-V321 CarbonylContact O-C 3.56Å; I36-V321 WeakPolarHBondContact O-CA 3.17Å; N38-V321 HydrophobicContact CB-CG1 3.8Å; L70-V321 HydrophobicContact CD1-CB 4.32Å; L70-V321 HydrophobicContact CD1-CG1 3.63Å; L70-V321 HydrophobicContact CD1-CG2 3.64Å; L125-V321 HydrophobicContact CD1-CG2 4.07Å; V286-V321 PolarHBondContact O-N 2.98Å; Y287-V321 WeakPolarHBondContact CA-O 3.41Å; Y287-V321 HydrophobicContact CD1-CB 4.25Å; Y287-V321 HydrophobicContact CD1-CG1 4.04Å; Y287-V321 HydrophobicContact CD2-CB 3.98Å; Y287-V321 HydrophobicContact CD2-CG1 4.44Å; Y287-V321 HydrophobicContact CD2-CG2 4.33Å; Y287-V321 HydrophobicContact CE1-CB 4.17Å; Y287-V321 HydrophobicContact CE1-CG1 3.6Å; Y287-V321 HydrophobicContact CE2-CB 3.88Å; Y287-V321 HydrophobicContact CE2-CG1 4.04Å; Y287-V321 HydrophobicContact CE2-CG2 3.96Å; Y287-V321 HydrophobicContact CG-CB 4.17Å; Y287-V321 HydrophobicContact CG-CG1 4.45Å; S288-V321 PolarHBondContact N-O 3.16Å; V321-W323 PolarHBondContact O-N 3.44Å
322	I	98.8	Very high	97.4	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.005	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	97.6	175.8	-58.6	-57.2	0	0	0	108.3	I36 W37 N38 F56 P290 L309 V320 L346	I36-I322 PolarHBondContact O-N 3.44Å; W37-I322 HydrophobicContact CE3-CB 4.21Å; W37-I322 HydrophobicContact CE3-CG2 3.76Å; W37-I322 HydrophobicContact CZ3-CG2 3.67Å; N38-I322 CarbonylContact C-O 3.56Å; N38-I322 PolarHBondContact N-O 2.9Å; F56-I322 HydrophobicContact CE1-CB 4.28Å; F56-I322 HydrophobicContact CE1-CG1 3.81Å; P290-I322 VanDerWaalsContact CD-CG2 3.47Å; P290-I322 HydrophobicContact CG-CG2 3.42Å; P290-I322 VanDerWaalsContact CG-CG2 3.42Å; L309-I322 HydrophobicContact CD1-CD1 4.08Å; L309-I322 HydrophobicContact CD2-CD1 4.25Å; V320-I322 HydrophobicContact CG1-CD1 4.19Å; V320-I322 HydrophobicContact CG1-CG1 4.41Å; V320-I322 HydrophobicContact CG2-CD1 3.52Å; V320-I322 HydrophobicContact CG2-CG1 4.32Å; I322-L346 HydrophobicContact CG2-CD2 4.46Å
323	W	98.6	Very high	97.3	Very high	40 Å²	40	35.9 Å²	35.9	15%	0.152	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	150	-176.8	-177.7	88.9	0	0	0	112.1	N38 Y74 Y247 Y287 S288 R289 P290 V321	N38-W323 WeakPolarHBondContact O-CA 3.48Å; Y74-W323 PolarHBondContact OH-NE1 3.03Å; Y74-W323 VanDerWaalsContact OH-NE1 3.1Å; Y247-W323 HydrophobicContact CE2-CE3 4.27Å; Y247-W323 AromaticContact CZ-CE3 3.98Å; Y247-W323 WeakPolarHBondContact OH-CB 3.33Å; Y287-W323 HydrophobicContact CD1-CB 3.81Å; Y287-W323 HydrophobicContact CD1-CG 4.31Å; Y287-W323 HydrophobicContact CE1-CB 3.98Å; Y287-W323 HydrophobicContact CE1-CG 4.22Å; S288-W323 PolarHBondContact O-N 3.35Å; R289-W323 HydrophobicContact CG-CE3 4.22Å; R289-W323 WeakPolarHBondContact CG-O 3.41Å; P290-W323 WeakPolarHBondContact CD-O 3.33Å; V321-W323 PolarHBondContact O-N 3.44Å
324	G	96.9	Very high	97.3	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.188	C	C	.	.			trans	-140.9	149.3	171.8	0	0	0	0	0	112.2	N38 P40 D328	N38-G324 PolarHBondContact O-N 2.02Å; P40-G324 WeakPolarHBondContact CD-O 3.48Å; G324-D328 WeakPolarHBondContact CA-OD2 2.97Å
325	G	94.9	Very high	97.3	Very high	11 Å²	11	36.5 Å²	36.5	11%	0.113	19%	0.188	C	C	.	.			trans	-86.6	160.6	177.5	0	0	0	0	0	112.6	P40 R327 D328	P40-G325 WeakPolarHBondContact CG-O 3.21Å; G325-R327 PolarHBondContact O-N 3.36Å; G325-R327 VanDerWaalsContact O-N 3.1Å; G325-D328 PolarHBondContact N-OD2 3.5Å; G325-D328 WeakPolarHBondContact O-CB 3.35Å; G325-D328 PolarHBondContact O-N 3.22Å
326	T	92.8	Very high	97.3	Very high	114 Å²	114	40.2 Å²	40.2	70%	0.699	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-18.3	179.6	51.8	0	0	0	0	114.5
327	R	94.1	Very high	97.3	Very high	194 Å²	194	43 Å²	43	73%	0.732	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-10.9	177.5	-62.9	-177.2	-179.3	-179.1	-1.3	113.6	G325	G325-R327 PolarHBondContact O-N 3.36Å; G325-R327 VanDerWaalsContact O-N 3.1Å
328	D	96.1	Very high	97.3	Very high	7 Å²	7	42.9 Å²	42.9	4%	0.037	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-40.8	-170.7	-65.9	-0.4	0	0	0	111.1	R289 L291 G324 G325 S334	R289-D328 IonicContact CZ-OD2 3.52Å; R289-D328 IonicContact NE-OD2 3.57Å; R289-D328 IonicContact NH2-OD1 2.86Å; R289-D328 PolarHBondContact NH2-OD1 3.05Å; R289-D328 IonicContact NH2-OD2 2.78Å; R289-D328 PolarHBondContact NH2-OD2 3.48Å; L291-D328 HydrophobicContact CD1-CB 3.72Å; G324-D328 WeakPolarHBondContact CA-OD2 2.97Å; G325-D328 PolarHBondContact N-OD2 3.5Å; G325-D328 WeakPolarHBondContact O-CB 3.35Å; G325-D328 PolarHBondContact O-N 3.22Å; D328-S334 VanDerWaalsContact O-CB 3.29Å; D328-S334 WeakPolarHBondContact O-CB 3.3Å
329	Y	96.1	Very high	97.3	Very high	4 Å²	4	43.1 Å²	43.1	2%	0.016	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-131	49.2	-170.8	-45.2	-55.2	0	0	0	111.9	W37 A39 P290 L291 F299 L338	W37-Y329 HydrophobicContact CH2-CE2 4.38Å; W37-Y329 HydrophobicContact CZ2-CE2 4.18Å; A39-Y329 HydrophobicContact CB-CD2 4.44Å; A39-Y329 HydrophobicContact CB-CE2 3.97Å; P290-Y329 WeakPolarHBondContact CB-OH 3.01Å; P290-Y329 VanDerWaalsContact CG-OH 3.3Å; P290-Y329 WeakPolarHBondContact CG-OH 3.27Å; L291-Y329 HydrophobicContact CD1-CE1 4.14Å; F299-Y329 HydrophobicContact CE1-CE1 4.06Å; F299-Y329 HydrophobicContact CZ-CE1 4.12Å; Y329-L338 HydrophobicContact CD1-CB 3.82Å; Y329-L338 HydrophobicContact CD1-CD1 4.48Å; Y329-L338 HydrophobicContact CD1-CD2 3.7Å; Y329-L338 HydrophobicContact CD1-CG 4.18Å; Y329-L338 HydrophobicContact CD2-CD2 3.84Å; Y329-L338 HydrophobicContact CE1-CB 3.88Å; Y329-L338 HydrophobicContact CE1-CD1 3.85Å; Y329-L338 HydrophobicContact CE1-CD2 3.86Å; Y329-L338 HydrophobicContact CE1-CG 4.05Å; Y329-L338 HydrophobicContact CE2-CD2 3.97Å; Y329-L338 HydrophobicContact CG-CD2 3.71Å
330	N	94.8	Very high	97.3	Very high	82 Å²	82	47.1 Å²	47.1	44%	0.439	25%	0.247	S	C	.	.			trans	-102.8	6.4	-170.1	72.3	-9.1	0	0	0	115.4	S334	N330-S334 PolarHBondContact N-OG 3.28Å
331	N	96.9	Very high	97.3	Very high	71 Å²	71	47.9 Å²	47.9	38%	0.38	25%	0.25	S	C	.	.	S	Bend	trans	-150.3	169.6	178.6	65.9	72.2	0	0	0	111.2	A333 S334 C335	N331-A333 VanDerWaalsContact C-N 3.33Å; N331-A333 PolarHBondContact O-N 2.9Å; N331-A333 WeakPolarHBondContact OD1-CB 3.47Å; N331-A333 PolarHBondContact OD1-N 2.92Å; N331-S334 PolarHBondContact N-OG 3.01Å; N331-S334 PolarHBondContact ND2-OG 3.19Å; N331-S334 PolarHBondContact O-N 3.19Å; N331-S334 PolarHBondContact O-OG 3.23Å; N331-S334 VanDerWaalsContact O-OG 3.13Å; N331-S334 PolarHBondContact OD1-N 2.85Å; N331-S334 PolarHBondContact OD1-OG 3.34Å; N331-C335 WeakPolarHBondContact O-CB 3.44Å; N331-C335 PolarHBondContact O-N 2.99Å; N331-C335 PolarHBondContact O-SG 2.94Å
332	K	98	Very high	97.3	Very high	152 Å²	152	47.9 Å²	47.9	66%	0.661	25%	0.25	S	C	*	.	H	α-helix	trans	-56.6	-44	-176.9	-174	173.5	-178.3	174.2	0	113	L47 I49 Q336	L47-K332 HydrophobicContact CD1-CB 4.13Å; I49-K332 HydrophobicContact CD1-CG 4.2Å; K332-Q336 WeakPolarHBondContact O-CB 3.46Å; K332-Q336 PolarHBondContact O-N 3.23Å
333	A	98.1	Very high	97.2	Very high	65 Å²	65	50.6 Å²	50.6	54%	0.537	27%	0.269	S	S	.	.	H	α-helix	trans	-65.8	-47.3	-178.5	0	0	0	0	0	111.6	N331 C335 Q336 S337	N331-A333 VanDerWaalsContact C-N 3.33Å; N331-A333 PolarHBondContact O-N 2.9Å; N331-A333 WeakPolarHBondContact OD1-CB 3.47Å; N331-A333 PolarHBondContact OD1-N 2.92Å; A333-C335 PolarHBondContact O-N 2.51Å; A333-Q336 PolarHBondContact O-N 3.05Å; A333-S337 PolarHBondContact O-N 3.17Å; A333-S337 PolarHBondContact O-OG 3.39Å; A333-S337 VanDerWaalsContact O-OG 3.07Å
334	S	98.1	Very high	97.2	Very high	17 Å²	17	52.7 Å²	52.7	12%	0.119	29%	0.289	C	S	.	.	H	α-helix	trans	-68	-34.3	179.6	56.9	0	0	0	0	113.2	D328 N330 N331 L338	D328-S334 VanDerWaalsContact O-CB 3.29Å; D328-S334 WeakPolarHBondContact O-CB 3.3Å; N330-S334 PolarHBondContact N-OG 3.28Å; N331-S334 PolarHBondContact N-OG 3.01Å; N331-S334 PolarHBondContact ND2-OG 3.19Å; N331-S334 PolarHBondContact O-N 3.19Å; N331-S334 PolarHBondContact O-OG 3.23Å; N331-S334 VanDerWaalsContact O-OG 3.13Å; N331-S334 PolarHBondContact OD1-N 2.85Å; N331-S334 PolarHBondContact OD1-OG 3.34Å; S334-L338 WeakPolarHBondContact O-CB 3.45Å; S334-L338 PolarHBondContact O-N 2.89Å
335	C	98.5	Very high	97.2	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-66	-41.4	171.6	-74.4	0	0	0	0	112.6	C44 I49 N331 A333 L338 S339	C44-C335 WeakPolarHBondContact CA-SG 3.32Å; C44-C335 HydrophobicContact CB-CB 3.69Å; C44-C335 WeakPolarHBondContact CB-SG 3.43Å; C44-C335 PolarHBondContact N-SG 2.59Å; C44-C335 VanDerWaalsContact N-SG 3.44Å; C44-C335 VanDerWaalsContact SG-CA 3.57Å; C44-C335 WeakPolarHBondContact SG-CB 3.2Å; C44-C335 CovalentContact SG-SG 2.05Å; C44-C335 PolarHBondContact SG-SG 2.99Å; I49-C335 HydrophobicContact CB-CB 4.44Å; I49-C335 HydrophobicContact CD1-CB 3.47Å; I49-C335 VanDerWaalsContact CD1-CB 3.47Å; I49-C335 HydrophobicContact CG2-CB 4.42Å; N331-C335 WeakPolarHBondContact O-CB 3.44Å; N331-C335 PolarHBondContact O-N 2.99Å; N331-C335 PolarHBondContact O-SG 2.94Å; A333-C335 PolarHBondContact O-N 2.51Å; C335-L338 PolarHBondContact O-N 2.88Å; C335-S339 PolarHBondContact O-N 3.1Å
336	Q	98.6	Very high	97.4	Very high	80 Å²	80	53.6 Å²	53.6	37%	0.374	29%	0.293	S	S	.	.	H	α-helix	trans	-63.7	-46.9	175.7	-170.8	62.7	53.7	0	0	110.9	K332 A333 L338 S339 D340	K332-Q336 WeakPolarHBondContact O-CB 3.46Å; K332-Q336 PolarHBondContact O-N 3.23Å; A333-Q336 PolarHBondContact O-N 3.05Å; Q336-L338 VanDerWaalsContact C-N 3.26Å; Q336-L338 PolarHBondContact O-N 3.16Å; Q336-S339 WeakPolarHBondContact O-CB 3.43Å; Q336-S339 PolarHBondContact O-N 3.27Å; Q336-S339 VanDerWaalsContact O-N 3.11Å; Q336-D340 PolarHBondContact NE2-OD1 2.85Å; Q336-D340 PolarHBondContact O-N 3.06Å
337	S	98.6	Very high	97.7	Very high	58 Å²	58	48.2 Å²	48.2	41%	0.406	26%	0.26	S	S	.	.	H	α-helix	trans	-60.8	-36.1	176.5	-54.8	0	0	0	0	112.4	A333 Y341	A333-S337 PolarHBondContact O-N 3.17Å; A333-S337 PolarHBondContact O-OG 3.39Å; A333-S337 VanDerWaalsContact O-OG 3.07Å; S337-Y341 VanDerWaalsContact O-CB 3.24Å; S337-Y341 WeakPolarHBondContact O-CB 3.42Å; S337-Y341 PolarHBondContact O-N 3.34Å
338	L	98.7	Very high	97.9	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-65.7	-46.4	173	175	63.5	0	0	0	111.9	W37 T41 L51 F299 Y329 S334 C335 Q336 D340 Y341 L342	W37-L338 HydrophobicContact CH2-CD1 3.72Å; W37-L338 HydrophobicContact CH2-CD2 4.21Å; W37-L338 HydrophobicContact CZ2-CD1 4.41Å; W37-L338 HydrophobicContact CZ2-CD2 4.05Å; T41-L338 HydrophobicContact CG2-CD2 4.17Å; L51-L338 HydrophobicContact CD1-CD2 4.01Å; L51-L338 HydrophobicContact CD2-CB 4.49Å; L51-L338 HydrophobicContact CD2-CD2 3.93Å; L51-L338 HydrophobicContact CD2-CG 4.01Å; F299-L338 HydrophobicContact CE1-CD1 4.06Å; F299-L338 HydrophobicContact CZ-CB 4.23Å; Y329-L338 HydrophobicContact CD1-CB 3.82Å; Y329-L338 HydrophobicContact CD1-CD1 4.48Å; Y329-L338 HydrophobicContact CD1-CD2 3.7Å; Y329-L338 HydrophobicContact CD1-CG 4.18Å; Y329-L338 HydrophobicContact CD2-CD2 3.84Å; Y329-L338 HydrophobicContact CE1-CB 3.88Å; Y329-L338 HydrophobicContact CE1-CD1 3.85Å; Y329-L338 HydrophobicContact CE1-CD2 3.86Å; Y329-L338 HydrophobicContact CE1-CG 4.05Å; Y329-L338 HydrophobicContact CE2-CD2 3.97Å; Y329-L338 HydrophobicContact CG-CD2 3.71Å; S334-L338 WeakPolarHBondContact O-CB 3.45Å; S334-L338 PolarHBondContact O-N 2.89Å; C335-L338 PolarHBondContact O-N 2.88Å; Q336-L338 VanDerWaalsContact C-N 3.26Å; Q336-L338 PolarHBondContact O-N 3.16Å; L338-D340 VanDerWaalsContact C-N 3.31Å; L338-D340 PolarHBondContact O-N 2.91Å; L338-Y341 PolarHBondContact O-N 3.16Å; L338-L342 HydrophobicContact CD1-CD1 3.95Å; L338-L342 HydrophobicContact CD1-CG 3.86Å; L338-L342 HydrophobicContact CD2-CD1 4.4Å; L338-L342 HydrophobicContact CG-CD1 3.87Å; L338-L342 HydrophobicContact CG-CG 4.25Å; L338-L342 WeakPolarHBondContact O-CB 3.23Å; L338-L342 WeakPolarHBondContact O-CG 3.21Å; L338-L342 PolarHBondContact O-N 3.19Å
339	S	98.7	Very high	98	Very high	9 Å²	9	41 Å²	41	6%	0.063	24%	0.237	C	C	.	.	H	α-helix	trans	-54.5	-48.8	176.6	165.7	0	0	0	0	111.3	P50 C335 Q336 L342 S343	P50-S339 VanDerWaalsContact O-CB 3.26Å; P50-S339 WeakPolarHBondContact O-CB 3.22Å; P50-S339 PolarHBondContact O-OG 3.35Å; C335-S339 PolarHBondContact O-N 3.1Å; Q336-S339 WeakPolarHBondContact O-CB 3.43Å; Q336-S339 PolarHBondContact O-N 3.27Å; Q336-S339 VanDerWaalsContact O-N 3.11Å; S339-L342 PolarHBondContact O-N 2.94Å; S339-S343 WeakPolarHBondContact O-CB 3.17Å; S339-S343 PolarHBondContact O-N 2.93Å; S339-S343 VanDerWaalsContact O-N 3.07Å; S339-S343 PolarHBondContact O-OG 3.42Å
340	D	98.7	Very high	98.1	Very high	84 Å²	84	40.9 Å²	40.9	45%	0.449	24%	0.237	S	C	.	.	H	α-helix	trans	-65.3	-43.7	-179.1	-59.5	-16.1	0	0	0	110.8	Q336 L338 S343 S344	Q336-D340 PolarHBondContact NE2-OD1 2.85Å; Q336-D340 PolarHBondContact O-N 3.06Å; L338-D340 VanDerWaalsContact C-N 3.31Å; L338-D340 PolarHBondContact O-N 2.91Å; D340-S343 PolarHBondContact O-N 2.04Å; D340-S344 VanDerWaalsContact O-CB 3.24Å; D340-S344 WeakPolarHBondContact O-CB 3.4Å; D340-S344 PolarHBondContact O-N 2.91Å; D340-S344 PolarHBondContact O-OG 3.1Å
341	Y	98.8	Very high	98.3	Very high	17 Å²	17	37 Å²	37	7%	0.067	22%	0.216	C	C	.	.	H	α-helix	trans	-66.4	-40.3	178.1	179.5	-111.8	0	0	0	113.2	P290 F299 Q300 S337 L338 T345 L346	P290-Y341 HydrophobicContact CB-CD1 4.34Å; P290-Y341 HydrophobicContact CB-CE1 3.93Å; F299-Y341 HydrophobicContact CB-CD1 4.05Å; F299-Y341 HydrophobicContact CB-CD2 3.62Å; F299-Y341 HydrophobicContact CB-CE1 4.04Å; F299-Y341 HydrophobicContact CB-CE2 3.65Å; F299-Y341 HydrophobicContact CB-CG 3.83Å; F299-Y341 AromaticContact CD1-CD1 3.23Å; F299-Y341 HydrophobicContact CD1-CD1 3.23Å; F299-Y341 HydrophobicContact CD1-CD2 4.29Å; F299-Y341 AromaticContact CD1-CE1 3.63Å; F299-Y341 HydrophobicContact CD1-CE1 3.63Å; F299-Y341 AromaticContact CD1-CG 3.6Å; F299-Y341 HydrophobicContact CD1-CG 3.6Å; F299-Y341 HydrophobicContact CD2-CG 4.32Å; F299-Y341 AromaticContact CE1-CD1 3.81Å; F299-Y341 HydrophobicContact CE1-CD1 3.81Å; F299-Y341 HydrophobicContact CE1-CE1 4.5Å; F299-Y341 HydrophobicContact CE1-CG 4.21Å; F299-Y341 AromaticContact CG-CD1 3.78Å; F299-Y341 HydrophobicContact CG-CD1 3.78Å; F299-Y341 AromaticContact CG-CD2 3.97Å; F299-Y341 HydrophobicContact CG-CD2 3.97Å; F299-Y341 HydrophobicContact CG-CE1 4.18Å; F299-Y341 HydrophobicContact CG-CE2 4.39Å; F299-Y341 AromaticContact CG-CG 3.65Å; F299-Y341 HydrophobicContact CG-CG 3.65Å; Q300-Y341 WeakPolarHBondContact O-CE2 3.34Å; Q300-Y341 VanDerWaalsContact O-CZ 3.32Å; Q300-Y341 PolarHBondContact O-OH 3.06Å; S337-Y341 VanDerWaalsContact O-CB 3.24Å; S337-Y341 WeakPolarHBondContact O-CB 3.42Å; S337-Y341 PolarHBondContact O-N 3.34Å; L338-Y341 PolarHBondContact O-N 3.16Å; Y341-T345 HydrophobicContact CD2-CG2 4.28Å; Y341-T345 HydrophobicContact CE2-CG2 3.59Å; Y341-T345 WeakPolarHBondContact O-CB 3.38Å; Y341-T345 PolarHBondContact O-N 3.32Å; Y341-L346 HydrophobicContact CD1-CB 4.05Å; Y341-L346 HydrophobicContact CD1-CD2 4.49Å; Y341-L346 HydrophobicContact CE1-CB 3.64Å; Y341-L346 HydrophobicContact CE1-CD2 3.97Å; Y341-L346 HydrophobicContact CE1-CG 4.3Å; Y341-L346 PolarHBondContact O-N 2.87Å
342	L	98.6	Very high	98.4	Very high	0 Å²	0	35 Å²	35	0%	0	21%	0.205	C	C	.	.	I	π-helix	trans	-59.7	-50.7	175	-78.9	170.6	0	0	0	110.6	W37 L51 D52 T53 F56 L338 S339 L346 S347 P348	W37-L342 HydrophobicContact CH2-CD2 4.37Å; W37-L342 HydrophobicContact CZ3-CD2 3.94Å; L51-L342 HydrophobicContact CB-CD1 3.81Å; L51-L342 HydrophobicContact CD2-CD1 4.04Å; L51-L342 HydrophobicContact CG-CD1 4.4Å; D52-L342 HydrophobicContact CB-CB 4.39Å; T53-L342 HydrophobicContact CG2-CD1 4.45Å; F56-L342 HydrophobicContact CE2-CD2 4.06Å; F56-L342 HydrophobicContact CZ-CD2 4.41Å; L338-L342 HydrophobicContact CD1-CD1 3.95Å; L338-L342 HydrophobicContact CD1-CG 3.86Å; L338-L342 HydrophobicContact CD2-CD1 4.4Å; L338-L342 HydrophobicContact CG-CD1 3.87Å; L338-L342 HydrophobicContact CG-CG 4.25Å; L338-L342 WeakPolarHBondContact O-CB 3.23Å; L338-L342 WeakPolarHBondContact O-CG 3.21Å; L338-L342 PolarHBondContact O-N 3.19Å; S339-L342 PolarHBondContact O-N 2.94Å; L342-L346 HydrophobicContact CD2-CB 4.36Å; L342-L346 HydrophobicContact CD2-CD2 3.89Å; L342-L346 HydrophobicContact CD2-CG 4.35Å; L342-S347 WeakPolarHBondContact O-CB 3.4Å; L342-S347 PolarHBondContact O-N 2.89Å; L342-S347 PolarHBondContact O-OG 3.45Å; L342-P348 WeakPolarHBondContact O-CD 3.48Å
343	S	97.3	Very high	98.4	Very high	57 Å²	57	27.7 Å²	27.7	40%	0.399	17%	0.174	S	C	.	.	I	π-helix	trans	-70.1	-40.6	-174.3	-53.8	0	0	0	0	112.4	S339 D340 P348	S339-S343 WeakPolarHBondContact O-CB 3.17Å; S339-S343 PolarHBondContact O-N 2.93Å; S339-S343 VanDerWaalsContact O-N 3.07Å; S339-S343 PolarHBondContact O-OG 3.42Å; D340-S343 PolarHBondContact O-N 2.04Å; S343-P348 VanDerWaalsContact O-CG 3.29Å; S343-P348 WeakPolarHBondContact O-CG 3.18Å
344	S	97.4	Very high	98.5	Very high	84 Å²	84	24.6 Å²	24.6	59%	0.587	15%	0.148	S	C	*	.	I	π-helix	trans	-84.7	-32	-175.2	63	0	0	0	0	114.1	D340	D340-S344 VanDerWaalsContact O-CB 3.24Å; D340-S344 WeakPolarHBondContact O-CB 3.4Å; D340-S344 PolarHBondContact O-N 2.91Å; D340-S344 PolarHBondContact O-OG 3.1Å
345	T	98.4	Very high	98.5	Very high	31 Å²	31	23.8 Å²	23.8	19%	0.19	14%	0.143	C	C	.	.	I	π-helix	trans	-131.9	-62.8	-164.6	-54.1	0	0	0	0	112.2	Q302 L305 Y341 Y349	Q302-T345 HydrophobicContact CB-CG2 4.28Å; L305-T345 HydrophobicContact CD1-CG2 3.91Å; Y341-T345 HydrophobicContact CD2-CG2 4.28Å; Y341-T345 HydrophobicContact CE2-CG2 3.59Å; Y341-T345 WeakPolarHBondContact O-CB 3.38Å; Y341-T345 PolarHBondContact O-N 3.32Å; T345-Y349 WeakPolarHBondContact O-CB 3.36Å; T345-Y349 PolarHBondContact O-N 3.41Å; T345-Y349 VanDerWaalsContact O-N 3.14Å
346	L	98.7	Very high	98.5	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.143	C	C	.	.	I	π-helix	trans	-70.4	-49.8	-166.5	-179.9	59.2	0	0	0	112.8	W37 F56 P290 L305 L309 I322 Y341 L342 Y349 V350	W37-L346 HydrophobicContact CZ3-CD2 4.07Å; F56-L346 HydrophobicContact CZ-CD2 4.04Å; F56-L346 HydrophobicContact CZ-CG 4.17Å; P290-L346 HydrophobicContact CB-CD2 4.22Å; P290-L346 HydrophobicContact CG-CD2 4.23Å; L305-L346 HydrophobicContact CD1-CD1 3.95Å; L305-L346 HydrophobicContact CD2-CD1 3.92Å; L309-L346 HydrophobicContact CD2-CD1 4.4Å; I322-L346 HydrophobicContact CG2-CD2 4.46Å; Y341-L346 HydrophobicContact CD1-CB 4.05Å; Y341-L346 HydrophobicContact CD1-CD2 4.49Å; Y341-L346 HydrophobicContact CE1-CB 3.64Å; Y341-L346 HydrophobicContact CE1-CD2 3.97Å; Y341-L346 HydrophobicContact CE1-CG 4.3Å; Y341-L346 PolarHBondContact O-N 2.87Å; L342-L346 HydrophobicContact CD2-CB 4.36Å; L342-L346 HydrophobicContact CD2-CD2 3.89Å; L342-L346 HydrophobicContact CD2-CG 4.35Å; L346-Y349 PolarHBondContact O-N 2.97Å; L346-V350 HydrophobicContact CD1-CG2 3.91Å; L346-V350 HydrophobicContact CG-CG2 4.33Å; L346-V350 WeakPolarHBondContact O-CB 3.37Å; L346-V350 VanDerWaalsContact O-CG2 3.28Å; L346-V350 WeakPolarHBondContact O-CG2 3.49Å; L346-V350 PolarHBondContact O-N 2.91Å
347	S	98.4	Very high	98.5	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-69.7	-42.6	-175.5	-60.7	0	0	0	0	112.9	D52 A55 L342 Y349 V350 A351 Y398	D52-S347 PolarHBondContact O-OG 2.91Å; A55-S347 VanDerWaalsContact CB-O 3.28Å; A55-S347 WeakPolarHBondContact CB-O 3.38Å; L342-S347 WeakPolarHBondContact O-CB 3.4Å; L342-S347 PolarHBondContact O-N 2.89Å; L342-S347 PolarHBondContact O-OG 3.45Å; S347-Y349 VanDerWaalsContact C-N 3.31Å; S347-Y349 PolarHBondContact O-N 3.38Å; S347-V350 PolarHBondContact O-N 2.87Å; S347-A351 WeakPolarHBondContact O-CB 3.04Å; S347-A351 PolarHBondContact O-N 2.85Å; S347-Y398 VanDerWaalsContact CB-OH 3.29Å; S347-Y398 WeakPolarHBondContact CB-OH 3.48Å
348	P	97.9	Very high	98.5	Very high	39 Å²	39	18.8 Å²	18.8	25%	0.253	11%	0.114	S	C	.	.	H	α-helix	trans	-58.6	-39.7	169.7	-25.2	34.6	0	0	0	113.4	L342 S343 A351 N352 Y398	L342-P348 WeakPolarHBondContact O-CD 3.48Å; S343-P348 VanDerWaalsContact O-CG 3.29Å; S343-P348 WeakPolarHBondContact O-CG 3.18Å; P348-A351 PolarHBondContact O-N 3.01Å; P348-N352 PolarHBondContact O-N 3.06Å; P348-Y398 HydrophobicContact CG-CE1 4.48Å
349	Y	98.7	Very high	98.5	Very high	12 Å²	12	18.8 Å²	18.8	5%	0.047	11%	0.114	C	C	.	.	H	α-helix	trans	-67.3	-45.1	177.7	-179.7	-88.2	0	0	0	112.2	Q302 L305 V306 L309 G310 T345 L346 S347 A351 N352 V353 H383	Q302-Y349 HydrophobicContact CG-CD2 4.19Å; L305-Y349 HydrophobicContact CB-CD1 3.68Å; L305-Y349 HydrophobicContact CB-CD2 4.19Å; L305-Y349 HydrophobicContact CB-CE1 3.7Å; L305-Y349 HydrophobicContact CB-CE2 4.19Å; L305-Y349 HydrophobicContact CB-CG 3.95Å; L305-Y349 HydrophobicContact CD1-CD1 3.96Å; L305-Y349 HydrophobicContact CD1-CG 3.91Å; L305-Y349 HydrophobicContact CG-CD1 4.38Å; L305-Y349 PolarHBondContact O-OH 3.43Å; V306-Y349 VanDerWaalsContact CA-OH 3.27Å; V306-Y349 WeakPolarHBondContact CA-OH 3.4Å; V306-Y349 HydrophobicContact CG2-CE2 3.74Å; V306-Y349 PolarHBondContact N-OH 2.9Å; L309-Y349 HydrophobicContact CB-CE1 3.71Å; L309-Y349 HydrophobicContact CD2-CD1 4.3Å; L309-Y349 HydrophobicContact CD2-CE1 4.23Å; G310-Y349 WeakPolarHBondContact CA-OH 3.25Å; G310-Y349 PolarHBondContact N-OH 3.37Å; T345-Y349 WeakPolarHBondContact O-CB 3.36Å; T345-Y349 PolarHBondContact O-N 3.41Å; T345-Y349 VanDerWaalsContact O-N 3.14Å; L346-Y349 PolarHBondContact O-N 2.97Å; S347-Y349 VanDerWaalsContact C-N 3.31Å; S347-Y349 PolarHBondContact O-N 3.38Å; Y349-A351 VanDerWaalsContact C-N 3.28Å; Y349-A351 PolarHBondContact O-N 2.89Å; Y349-N352 WeakPolarHBondContact O-CB 3.11Å; Y349-N352 PolarHBondContact O-N 3.41Å; Y349-N352 VanDerWaalsContact O-N 3.15Å; Y349-V353 HydrophobicContact CE1-CB 4.46Å; Y349-V353 HydrophobicContact CE1-CG1 4.24Å; Y349-V353 PolarHBondContact O-N 2.95Å; Y349-H383 AromaticContact CE2-NE2 3.59Å; Y349-H383 AromaticContact CZ-NE2 3.56Å; Y349-H383 PolarHBondContact OH-NE2 2.61Å
350	V	98.8	Very high	98.4	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-59.1	-41.8	174.8	168.5	0	0	0	0	110.5	A35 A55 F56 L309 L346 S347 N352 V353 T354	A35-V350 HydrophobicContact CB-CG1 3.41Å; A35-V350 VanDerWaalsContact CB-CG1 3.41Å; A35-V350 HydrophobicContact CB-CG2 4.3Å; A55-V350 HydrophobicContact CB-CB 3.99Å; A55-V350 HydrophobicContact CB-CG1 3.76Å; A55-V350 WeakPolarHBondContact O-CG1 3.5Å; F56-V350 HydrophobicContact CE1-CG2 4.26Å; F56-V350 HydrophobicContact CZ-CG2 4.3Å; L309-V350 HydrophobicContact CD2-CG2 3.93Å; L346-V350 HydrophobicContact CD1-CG2 3.91Å; L346-V350 HydrophobicContact CG-CG2 4.33Å; L346-V350 WeakPolarHBondContact O-CB 3.37Å; L346-V350 VanDerWaalsContact O-CG2 3.28Å; L346-V350 WeakPolarHBondContact O-CG2 3.49Å; L346-V350 PolarHBondContact O-N 2.91Å; S347-V350 PolarHBondContact O-N 2.87Å; V350-N352 PolarHBondContact O-N 2.82Å; V350-V353 WeakPolarHBondContact O-CG1 3.39Å; V350-T354 VanDerWaalsContact O-CB 3.25Å; V350-T354 WeakPolarHBondContact O-CB 3.32Å; V350-T354 PolarHBondContact O-N 2.88Å; V350-T354 PolarHBondContact O-OG1 3.47Å
351	A	98.6	Very high	98.4	Very high	1 Å²	1	14.8 Å²	14.8	1%	0.008	9%	0.092	C	C	.	.	H	α-helix	trans	-60.7	-43.8	174.7	0	0	0	0	0	112.4	A55 S347 P348 Y349 A355 I391 Y398 V441	A55-A351 HydrophobicContact CB-CB 4.26Å; S347-A351 WeakPolarHBondContact O-CB 3.04Å; S347-A351 PolarHBondContact O-N 2.85Å; P348-A351 PolarHBondContact O-N 3.01Å; Y349-A351 VanDerWaalsContact C-N 3.28Å; Y349-A351 PolarHBondContact O-N 2.89Å; A351-A355 VanDerWaalsContact O-CB 3.22Å; A351-A355 WeakPolarHBondContact O-CB 3.2Å; A351-A355 PolarHBondContact O-N 3.37Å; A351-I391 HydrophobicContact CB-CG2 3.9Å; A351-Y398 HydrophobicContact CB-CD1 3.77Å; A351-Y398 HydrophobicContact CB-CD2 4.42Å; A351-Y398 HydrophobicContact CB-CE1 4.46Å; A351-Y398 HydrophobicContact CB-CG 3.72Å; A351-V441 HydrophobicContact CB-CG2 4.26Å; A351-V441 WeakPolarHBondContact O-CG2 3.45Å
352	N	98.7	Very high	98.4	Very high	28 Å²	28	18.3 Å²	18.3	15%	0.15	11%	0.106	C	C	.	.	H	α-helix	trans	-60.2	-56.6	178.4	-171	-63.5	0	0	0	112	P348 Y349 V350 T354 A355 A356 H383 L384 I391	P348-N352 PolarHBondContact O-N 3.06Å; Y349-N352 WeakPolarHBondContact O-CB 3.11Å; Y349-N352 PolarHBondContact O-N 3.41Å; Y349-N352 VanDerWaalsContact O-N 3.15Å; V350-N352 PolarHBondContact O-N 2.82Å; N352-T354 VanDerWaalsContact C-N 3.31Å; N352-T354 PolarHBondContact O-N 3.16Å; N352-A355 PolarHBondContact O-N 2.87Å; N352-A356 VanDerWaalsContact O-CB 3.31Å; N352-A356 WeakPolarHBondContact O-CB 3.31Å; N352-A356 PolarHBondContact O-N 3.36Å; N352-H383 WeakPolarHBondContact OD1-CA 3.17Å; N352-H383 WeakPolarHBondContact OD1-CB 3.48Å; N352-L384 PolarHBondContact ND2-O 3.27Å; N352-L384 PolarHBondContact OD1-N 3.3Å; N352-I391 VanDerWaalsContact CA-CD1 3.44Å; N352-I391 HydrophobicContact CB-CD1 3.36Å
353	V	98.7	Very high	98.3	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-65.7	-36.3	-174.4	68	0	0	0	0	111.7	F33 A313 Y349 V350 A357	F33-V353 HydrophobicContact CD1-CG1 4.33Å; F33-V353 HydrophobicContact CE1-CG1 4.01Å; F33-V353 HydrophobicContact CE1-CG2 4.45Å; A313-V353 HydrophobicContact CB-CG2 3.56Å; Y349-V353 HydrophobicContact CE1-CB 4.46Å; Y349-V353 HydrophobicContact CE1-CG1 4.24Å; Y349-V353 PolarHBondContact O-N 2.95Å; V350-V353 WeakPolarHBondContact O-CG1 3.39Å; V353-A357 WeakPolarHBondContact O-CB 3.37Å; V353-A357 PolarHBondContact O-N 2.96Å
354	T	98.7	Very high	98.3	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-67.8	-49.7	177.5	-54.5	0	0	0	0	110.6	F33 V350 N352 A356 A357 M358 V441	F33-T354 WeakPolarHBondContact O-CG2 3.42Å; V350-T354 VanDerWaalsContact O-CB 3.25Å; V350-T354 WeakPolarHBondContact O-CB 3.32Å; V350-T354 PolarHBondContact O-N 2.88Å; V350-T354 PolarHBondContact O-OG1 3.47Å; N352-T354 VanDerWaalsContact C-N 3.31Å; N352-T354 PolarHBondContact O-N 3.16Å; T354-A356 VanDerWaalsContact C-N 3.32Å; T354-A356 PolarHBondContact O-N 2.99Å; T354-A357 PolarHBondContact O-N 2.93Å; T354-M358 HydrophobicContact CG2-SD 4.14Å; T354-M358 VanDerWaalsContact O-CG 3.26Å; T354-M358 WeakPolarHBondContact O-CG 3.28Å; T354-M358 PolarHBondContact O-N 2.68Å; T354-V441 HydrophobicContact CG2-CG1 3.8Å
355	A	98.6	Very high	98.3	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-62.3	-38.6	177.9	0	0	0	0	0	112.4	A351 N352 M358 L359 L384 A400 I439 V441	A351-A355 VanDerWaalsContact O-CB 3.22Å; A351-A355 WeakPolarHBondContact O-CB 3.2Å; A351-A355 PolarHBondContact O-N 3.37Å; N352-A355 PolarHBondContact O-N 2.87Å; A355-M358 PolarHBondContact O-N 3.04Å; A355-L359 VanDerWaalsContact O-CB 3.32Å; A355-L359 WeakPolarHBondContact O-CB 3.39Å; A355-L359 PolarHBondContact O-N 3.36Å; A355-L384 HydrophobicContact CB-CD1 3.72Å; A355-A400 HydrophobicContact CB-CB 3.71Å; A355-I439 HydrophobicContact CB-CB 4.32Å; A355-I439 HydrophobicContact CB-CD1 4.3Å; A355-I439 HydrophobicContact CB-CG2 3.99Å; A355-V441 HydrophobicContact CB-CG2 3.84Å
356	A	98.6	Very high	98.2	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-62.8	-43.6	174.7	0	0	0	0	0	112.1	N352 T354 L359 C360 L382 L384	N352-A356 VanDerWaalsContact O-CB 3.31Å; N352-A356 WeakPolarHBondContact O-CB 3.31Å; N352-A356 PolarHBondContact O-N 3.36Å; T354-A356 VanDerWaalsContact C-N 3.32Å; T354-A356 PolarHBondContact O-N 2.99Å; A356-L359 PolarHBondContact O-N 2.82Å; A356-C360 VanDerWaalsContact O-CB 3.3Å; A356-C360 WeakPolarHBondContact O-CB 3.19Å; A356-C360 PolarHBondContact O-N 3.16Å; A356-L382 VanDerWaalsContact CB-C 3.44Å; A356-L382 HydrophobicContact CB-CB 4.22Å; A356-L382 VanDerWaalsContact CB-O 3.3Å; A356-L382 WeakPolarHBondContact CB-O 3.3Å; A356-L384 HydrophobicContact CB-CD2 4.01Å; A356-L384 HydrophobicContact CB-CG 4.03Å
357	A	98.6	Very high	98.1	Very high	4 Å²	4	15.8 Å²	15.8	3%	0.033	8%	0.084	C	C	.	.	H	α-helix	trans	-63.3	-42.3	176.4	0	0	0	0	0	112.1	F33 V353 T354 S361 L382	F33-A357 HydrophobicContact CB-CB 3.86Å; V353-A357 WeakPolarHBondContact O-CB 3.37Å; V353-A357 PolarHBondContact O-N 2.96Å; T354-A357 PolarHBondContact O-N 2.93Å; A357-S361 WeakPolarHBondContact O-CB 3.34Å; A357-S361 PolarHBondContact O-N 3.36Å; A357-L382 HydrophobicContact CB-CD1 4.35Å
358	M	98.6	Very high	98	Very high	28 Å²	28	17.8 Å²	17.8	14%	0.138	10%	0.095	C	C	.	.	H	α-helix	trans	-62.3	-47.1	174.6	-64.7	170.6	77.6	0	0	111.7	D30 T354 A355 S361 R362 I439	D30-M358 WeakPolarHBondContact O-CG 3.41Å; T354-M358 HydrophobicContact CG2-SD 4.14Å; T354-M358 VanDerWaalsContact O-CG 3.26Å; T354-M358 WeakPolarHBondContact O-CG 3.28Å; T354-M358 PolarHBondContact O-N 2.68Å; A355-M358 PolarHBondContact O-N 3.04Å; M358-S361 PolarHBondContact O-N 3.4Å; M358-R362 PolarHBondContact O-N 3.14Å; M358-I439 HydrophobicContact CB-CG2 4.11Å; M358-I439 HydrophobicContact CE-CG2 3.92Å; M358-I439 HydrophobicContact SD-CG2 3.71Å
359	L	98.4	Very high	98	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-62.5	-45.9	179.3	-172.9	57.7	0	0	0	111.2	A355 A356 R362 L363 L384 F389 W412 Q437 I439	A355-L359 VanDerWaalsContact O-CB 3.32Å; A355-L359 WeakPolarHBondContact O-CB 3.39Å; A355-L359 PolarHBondContact O-N 3.36Å; A356-L359 PolarHBondContact O-N 2.82Å; L359-R362 PolarHBondContact O-N 3.18Å; L359-L363 HydrophobicContact CD1-CD1 3.55Å; L359-L363 HydrophobicContact CD1-CD2 4.43Å; L359-L363 HydrophobicContact CD1-CG 3.76Å; L359-L363 HydrophobicContact CG-CD1 3.86Å; L359-L363 HydrophobicContact CG-CG 4.25Å; L359-L363 WeakPolarHBondContact O-CB 3.39Å; L359-L363 WeakPolarHBondContact O-CG 3.14Å; L359-L363 PolarHBondContact O-N 2.93Å; L359-L384 HydrophobicContact CD2-CD2 3.79Å; L359-F389 HydrophobicContact CD2-CE1 4.02Å; L359-F389 HydrophobicContact CD2-CE2 4.05Å; L359-F389 HydrophobicContact CD2-CZ 3.38Å; L359-W412 HydrophobicContact CB-CH2 3.83Å; L359-W412 HydrophobicContact CB-CZ3 4.27Å; L359-W412 HydrophobicContact CD2-CH2 3.67Å; L359-W412 HydrophobicContact CD2-CZ3 4.2Å; L359-W412 HydrophobicContact CG-CH2 3.63Å; L359-W412 HydrophobicContact CG-CZ3 3.84Å; L359-Q437 HydrophobicContact CD1-CB 4.39Å; L359-Q437 HydrophobicContact CD1-CG 4.11Å; L359-I439 HydrophobicContact CB-CD1 3.65Å; L359-I439 HydrophobicContact CD1-CD1 4.04Å; L359-I439 HydrophobicContact CD2-CD1 4.13Å; L359-I439 HydrophobicContact CG-CD1 4.15Å
360	C	98.3	Very high	97.9	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-64.5	-44.8	179.1	-170.2	0	0	0	0	111.6	A356 R362 L363 L364 C371 L382 W412	A356-C360 VanDerWaalsContact O-CB 3.3Å; A356-C360 WeakPolarHBondContact O-CB 3.19Å; A356-C360 PolarHBondContact O-N 3.16Å; C360-R362 VanDerWaalsContact C-N 3.3Å; C360-R362 PolarHBondContact O-N 3.48Å; C360-L363 PolarHBondContact O-N 3.35Å; C360-L364 WeakPolarHBondContact O-CA 3.18Å; C360-L364 VanDerWaalsContact O-CB 3.31Å; C360-L364 WeakPolarHBondContact O-CB 3.35Å; C360-L364 PolarHBondContact O-N 3.45Å; C360-C371 HydrophobicContact CB-CB 3.87Å; C360-C371 WeakPolarHBondContact CB-SG 3.37Å; C360-C371 PolarHBondContact O-SG 2.78Å; C360-C371 VanDerWaalsContact O-SG 3.32Å; C360-C371 WeakPolarHBondContact SG-CB 3.1Å; C360-C371 CovalentContact SG-SG 2.02Å; C360-C371 PolarHBondContact SG-SG 2.86Å; C360-L382 HydrophobicContact CB-CD2 3.89Å; C360-W412 HydrophobicContact CB-CD2 4.34Å; C360-W412 HydrophobicContact CB-CE3 3.98Å; C360-W412 HydrophobicContact CB-CH2 4.08Å; C360-W412 HydrophobicContact CB-CZ2 4.46Å; C360-W412 HydrophobicContact CB-CZ3 3.84Å
361	S	98.1	Very high	97.9	Very high	9 Å²	9	15.9 Å²	15.9	6%	0.063	8%	0.083	C	C	.	.	H	α-helix	trans	-52.9	-48.6	173.8	165.7	0	0	0	0	111.7	A357 M358 C365 K366 G367 G369	A357-S361 WeakPolarHBondContact O-CB 3.34Å; A357-S361 PolarHBondContact O-N 3.36Å; M358-S361 PolarHBondContact O-N 3.4Å; S361-C365 CarbonylContact O-C 3.13Å; S361-C365 VanDerWaalsContact O-CA 3.24Å; S361-C365 WeakPolarHBondContact O-CA 3.44Å; S361-C365 VanDerWaalsContact O-CB 3.29Å; S361-C365 WeakPolarHBondContact O-CB 3.36Å; S361-C365 PolarHBondContact O-N 3.13Å; S361-K366 PolarHBondContact O-N 3.42Å; S361-K366 VanDerWaalsContact O-N 3.12Å; S361-G367 PolarHBondContact O-N 3.03Å; S361-G369 WeakPolarHBondContact CB-O 3.01Å; S361-G369 PolarHBondContact OG-O 3.06Å
362	R	97.4	Very high	97.9	Very high	92 Å²	92	16.5 Å²	16.5	35%	0.347	9%	0.087	S	C	.	.	H	α-helix	trans	-66.5	-51.1	179.7	178.3	171.9	47.3	144.8	3.2	112.7	M358 L359 C360 K366	M358-R362 PolarHBondContact O-N 3.14Å; L359-R362 PolarHBondContact O-N 3.18Å; C360-R362 VanDerWaalsContact C-N 3.3Å; C360-R362 PolarHBondContact O-N 3.48Å; R362-K366 WeakPolarHBondContact O-CA 3.01Å; R362-K366 PolarHBondContact O-N 3.14Å
363	L	97.2	Very high	97.9	Very high	6 Å²	6	15.5 Å²	15.5	3%	0.031	8%	0.081	C	C	.	.	H	α-helix	trans	-80.1	-34.9	-171.4	-62.7	-172.5	0	0	0	113.5	L359 C360 P404 L409 W412 E429 L430 Q431 P433	L359-L363 HydrophobicContact CD1-CD1 3.55Å; L359-L363 HydrophobicContact CD1-CD2 4.43Å; L359-L363 HydrophobicContact CD1-CG 3.76Å; L359-L363 HydrophobicContact CG-CD1 3.86Å; L359-L363 HydrophobicContact CG-CG 4.25Å; L359-L363 WeakPolarHBondContact O-CB 3.39Å; L359-L363 WeakPolarHBondContact O-CG 3.14Å; L359-L363 PolarHBondContact O-N 2.93Å; C360-L363 PolarHBondContact O-N 3.35Å; L363-P404 HydrophobicContact CD1-CG 4.22Å; L363-L409 HydrophobicContact CD1-CD2 3.8Å; L363-W412 HydrophobicContact CD1-CZ3 4.41Å; L363-E429 VanDerWaalsContact O-O 3.1Å; L363-L430 CarbonylContact O-C 3.56Å; L363-L430 WeakPolarHBondContact O-CA 3.32Å; L363-Q431 HydrophobicContact CD2-CB 4.46Å; L363-Q431 WeakPolarHBondContact CD2-O 3.46Å; L363-Q431 PolarHBondContact O-N 3.39Å; L363-P433 HydrophobicContact CD1-CG 3.98Å; L363-P433 HydrophobicContact CD2-CG 4.39Å
364	L	97.3	Very high	97.8	Very high	2 Å²	2	20.9 Å²	20.9	1%	0.01	11%	0.105	C	C	.	.	H	α-helix	trans	-100.1	-31.7	-176.8	-172.3	60.6	0	0	0	112.5	C360 V413 F416 C418 P428 E429 L430	C360-L364 WeakPolarHBondContact O-CA 3.18Å; C360-L364 VanDerWaalsContact O-CB 3.31Å; C360-L364 WeakPolarHBondContact O-CB 3.35Å; C360-L364 PolarHBondContact O-N 3.45Å; L364-V413 HydrophobicContact CD1-CG2 4.04Å; L364-F416 HydrophobicContact CD2-CB 4.01Å; L364-C418 PolarHBondContact O-SG 2.87Å; L364-C418 VanDerWaalsContact O-SG 3.35Å; L364-P428 HydrophobicContact CD1-CB 4.08Å; L364-P428 HydrophobicContact CG-CB 4.35Å; L364-P428 WeakPolarHBondContact O-CA 3.27Å; L364-E429 PolarHBondContact O-N 3.38Å; L364-L430 HydrophobicContact CD1-CB 4.49Å
365	C	97.4	Very high	97.7	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-115.7	12.9	-173.9	-52	0	0	0	0	113.7	S361 G367 N368 G369 C418	S361-C365 CarbonylContact O-C 3.13Å; S361-C365 VanDerWaalsContact O-CA 3.24Å; S361-C365 WeakPolarHBondContact O-CA 3.44Å; S361-C365 VanDerWaalsContact O-CB 3.29Å; S361-C365 WeakPolarHBondContact O-CB 3.36Å; S361-C365 PolarHBondContact O-N 3.13Å; C365-G367 PolarHBondContact O-N 3.06Å; C365-G367 VanDerWaalsContact O-N 3.1Å; C365-N368 PolarHBondContact O-N 3.28Å; C365-G369 WeakPolarHBondContact CB-O 3.5Å; C365-C418 WeakPolarHBondContact CA-SG 3.37Å; C365-C418 HydrophobicContact CB-CB 3.82Å; C365-C418 WeakPolarHBondContact CB-SG 3.31Å; C365-C418 VanDerWaalsContact SG-CA 3.51Å; C365-C418 WeakPolarHBondContact SG-CB 3.37Å; C365-C418 CovalentContact SG-SG 2.04Å; C365-C418 PolarHBondContact SG-SG 3.14Å
366	K	95.9	Very high	97.6	Very high	75 Å²	75	28.6 Å²	28.6	33%	0.326	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	23.1	179.6	-54.8	-176.4	179.4	179.7	0	114.6	S361 R362 N368 E429	S361-K366 PolarHBondContact O-N 3.42Å; S361-K366 VanDerWaalsContact O-N 3.12Å; R362-K366 WeakPolarHBondContact O-CA 3.01Å; R362-K366 PolarHBondContact O-N 3.14Å; K366-N368 PolarHBondContact O-N 3.35Å; K366-E429 WeakPolarHBondContact CE-OE2 3.49Å; K366-E429 IonicContact NZ-OE1 2.61Å; K366-E429 IonicContact NZ-OE2 2.95Å; K366-E429 PolarHBondContact NZ-OE2 2.92Å
367	G	96.4	Very high	97.4	Very high	35 Å²	35	32.2 Å²	32.2	36%	0.361	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.7	-3.6	-173.4	0	0	0	0	0	114.8	S361 C365	S361-G367 PolarHBondContact O-N 3.03Å; C365-G367 PolarHBondContact O-N 3.06Å; C365-G367 VanDerWaalsContact O-N 3.1Å
368	N	97.3	Very high	97.3	Very high	42 Å²	42	33.8 Å²	33.8	23%	0.225	17%	0.169	C	C	.	.	S	Bend	trans	-95.5	4.1	-174	-69.7	-11.2	0	0	0	113.5	C365 K366 Y421 W424 S425 C426	C365-N368 PolarHBondContact O-N 3.28Å; K366-N368 PolarHBondContact O-N 3.35Å; N368-Y421 WeakPolarHBondContact O-CD2 3.35Å; N368-Y421 PolarHBondContact O-N 3.36Å; N368-W424 HydrophobicContact CB-CB 3.98Å; N368-W424 VanDerWaalsContact OD1-CE3 3.25Å; N368-S425 WeakPolarHBondContact CB-O 3.43Å; N368-S425 PolarHBondContact ND2-O 3.23Å; N368-C426 HydrophobicContact CB-CB 3.83Å
369	G	97.6	Very high	97.2	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.8	171.4	179.2	0	0	0	0	0	111.9	S361 C365 Q419	S361-G369 WeakPolarHBondContact CB-O 3.01Å; S361-G369 PolarHBondContact OG-O 3.06Å; C365-G369 WeakPolarHBondContact CB-O 3.5Å; G369-Q419 CarbonylContact C-O 3.5Å; G369-Q419 WeakPolarHBondContact CA-O 3.26Å
370	R	97.9	Very high	97.2	Very high	7 Å²	7	39.3 Å²	39.3	3%	0.026	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	149.4	172.5	69.1	-175.1	70	165.1	6.9	110.6	T23 E24 P32 G316 S318 V372 Q419 Y421	T23-R370 PolarHBondContact OG1-NH2 3.1Å; E24-R370 PolarHBondContact O-NH2 3.2Å; P32-R370 HydrophobicContact CB-CB 3.96Å; G316-R370 PolarHBondContact O-NH1 3.26Å; S318-R370 VanDerWaalsContact OG-CZ 3.28Å; S318-R370 PolarHBondContact OG-NH1 3.39Å; S318-R370 PolarHBondContact OG-NH2 3.23Å; R370-V372 HydrophobicContact CG-CG2 4Å; R370-Q419 HydrophobicContact CG-CB 4.13Å; R370-Q419 PolarHBondContact N-O 3.36Å; R370-Q419 PolarHBondContact O-N 2.91Å; R370-Y421 HydrophobicContact CB-CE1 4.35Å
371	C	98.3	Very high	97.1	Very high	4 Å²	4	41.4 Å²	41.4	3%	0.027	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	134	170	-68.2	0	0	0	0	110.9	C360 L382 F416 T417	C360-C371 HydrophobicContact CB-CB 3.87Å; C360-C371 WeakPolarHBondContact CB-SG 3.37Å; C360-C371 PolarHBondContact O-SG 2.78Å; C360-C371 VanDerWaalsContact O-SG 3.32Å; C360-C371 WeakPolarHBondContact SG-CB 3.1Å; C360-C371 CovalentContact SG-SG 2.02Å; C360-C371 PolarHBondContact SG-SG 2.86Å; C371-L382 HydrophobicContact CB-CD1 4.13Å; C371-L382 HydrophobicContact CB-CD2 4.1Å; C371-F416 HydrophobicContact CB-CB 4.37Å; C371-F416 HydrophobicContact CB-CD1 4.22Å; C371-T417 CarbonylContact C-O 3.56Å; C371-T417 WeakPolarHBondContact CA-O 3.33Å
372	V	98.1	Very high	97.1	Very high	14 Å²	14	41 Å²	41	9%	0.085	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	134.8	177.1	-177	0	0	0	0	108.7	L20 R370 K374 F416 T417 Q419	L20-V372 HydrophobicContact CD1-CB 4.18Å; L20-V372 HydrophobicContact CD1-CG1 4.33Å; L20-V372 HydrophobicContact CD1-CG2 4.47Å; R370-V372 HydrophobicContact CG-CG2 4Å; V372-K374 PolarHBondContact O-N 2.87Å; V372-F416 CarbonylContact O-C 3.59Å; V372-F416 WeakPolarHBondContact O-CA 3.37Å; V372-T417 PolarHBondContact N-O 2.82Å; V372-T417 PolarHBondContact O-N 2.85Å; V372-Q419 HydrophobicContact CG2-CB 3.7Å
373	R	97.9	Very high	97.1	Very high	7 Å²	7	39 Å²	39	3%	0.026	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	124.7	178.1	-170.7	-171.9	-68.8	163	-2.5	109.9	E311 A314 N375 Y376 T378 H380 N415 F416	E311-R373 VanDerWaalsContact CD-NH1 3.25Å; E311-R373 IonicContact OE1-CZ 3.98Å; E311-R373 IonicContact OE1-NH1 2.99Å; E311-R373 PolarHBondContact OE1-NH1 3.31Å; E311-R373 IonicContact OE2-CZ 2.68Å; E311-R373 IonicContact OE2-NH1 3.27Å; E311-R373 PolarHBondContact OE2-NH1 3.12Å; E311-R373 IonicContact OE2-NH2 3.69Å; E311-R373 PolarHBondContact OE2-NH2 2.82Å; A314-R373 VanDerWaalsContact CB-NH2 3.25Å; A314-R373 VanDerWaalsContact O-CB 3.28Å; A314-R373 WeakPolarHBondContact O-CB 3.44Å; A314-R373 PolarHBondContact O-N 2.91Å; R373-N375 WeakPolarHBondContact CD-O 3.48Å; R373-N375 WeakPolarHBondContact CG-O 3.45Å; R373-N375 PolarHBondContact O-N 3.39Å; R373-Y376 PolarHBondContact NH1-O 2.87Å; R373-T378 WeakPolarHBondContact CD-OG1 3.25Å; R373-T378 PolarHBondContact NH1-O 3.04Å; R373-H380 PolarHBondContact NE-O 2.87Å; R373-H380 PolarHBondContact NH2-O 3.3Å; R373-N415 WeakPolarHBondContact CA-O 3.47Å; R373-F416 HydrophobicContact CB-CD1 4.31Å; R373-F416 HydrophobicContact CB-CE1 4.01Å
374	K	96.9	Very high	97.1	Very high	114 Å²	114	39 Å²	39	50%	0.496	21%	0.206	S	C	.	.	S	Bend	trans	-59.3	-49.6	-178.4	-71.8	-177.3	-168.9	164.8	0	112	V372 V413 E414 N415 F416 T417	V372-K374 PolarHBondContact O-N 2.87Å; K374-V413 WeakPolarHBondContact CE-O 3.33Å; K374-V413 PolarHBondContact NZ-O 3.35Å; K374-E414 WeakPolarHBondContact CD-O 3.43Å; K374-E414 WeakPolarHBondContact CE-O 3.11Å; K374-E414 PolarHBondContact NZ-O 3.02Å; K374-N415 PolarHBondContact N-O 2.04Å; K374-F416 WeakPolarHBondContact CE-O 3.29Å; K374-T417 HydrophobicContact CG-CG2 4.15Å
375	N	97	Very high	97.1	Very high	83 Å²	83	41.4 Å²	41.4	44%	0.444	22%	0.219	S	C	.	.	S	Bend	trans	-105.2	101.5	173.1	-177.1	-14.7	0	0	0	109.2	R373 N377 T378	R373-N375 WeakPolarHBondContact CD-O 3.48Å; R373-N375 WeakPolarHBondContact CG-O 3.45Å; R373-N375 PolarHBondContact O-N 3.39Å; N375-N377 PolarHBondContact O-N 3.35Å; N375-N377 PolarHBondContact OD1-N 3.32Å; N375-T378 HydrophobicContact CB-CG2 3.77Å; N375-T378 PolarHBondContact O-N 2.88Å; N375-T378 PolarHBondContact O-OG1 3.1Å
376	Y	95.6	Very high	97	Very high	79 Å²	79	45.9 Å²	45.9	31%	0.31	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-23.7	-178.1	77	-93.7	0	0	0	113.8	R220 R263 Q267 R373	R220-Y376 PolarHBondContact NH2-OH 2.02Å; R263-Y376 VanDerWaalsContact CD-O 3.29Å; R263-Y376 WeakPolarHBondContact CD-O 3.38Å; R263-Y376 HydrophobicContact CG-CD2 4.26Å; R263-Y376 PolarHBondContact NE-O 2.76Å; R263-Y376 VanDerWaalsContact NE-O 3.16Å; Q267-Y376 HydrophobicContact CG-CD2 4.06Å; Q267-Y376 HydrophobicContact CG-CG 4.45Å; R373-Y376 PolarHBondContact NH1-O 2.87Å
377	N	95.9	Very high	97	Very high	75 Å²	75	47.6 Å²	47.6	40%	0.401	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	2.2	-175.5	-159.7	46.5	0	0	0	115	R263 N375	R263-N377 PolarHBondContact NH1-O 2.82Å; R263-N377 PolarHBondContact NH1-OD1 3.47Å; N375-N377 PolarHBondContact O-N 3.35Å; N375-N377 PolarHBondContact OD1-N 3.32Å
378	T	96.9	Very high	97	Very high	37 Å²	37	47.1 Å²	47.1	23%	0.227	26%	0.255	C	S	.	.	S	Bend	trans	-86.3	172.1	173.3	57.1	0	0	0	0	111.5	R263 R373 N375 H380	R263-T378 PolarHBondContact NH2-O 2.83Å; R263-T378 VanDerWaalsContact NH2-O 3.1Å; R373-T378 WeakPolarHBondContact CD-OG1 3.25Å; R373-T378 PolarHBondContact NH1-O 3.04Å; N375-T378 HydrophobicContact CB-CG2 3.77Å; N375-T378 PolarHBondContact O-N 2.88Å; N375-T378 PolarHBondContact O-OG1 3.1Å; T378-H380 PolarHBondContact OG1-CD2 2.85Å
379	A	96	Very high	97.1	Very high	68 Å²	68	45.6 Å²	45.6	56%	0.562	25%	0.247	S	C	*	.			trans	-108.9	40	-175.6	0	0	0	0	0	113	Y381	A379-Y381 HydrophobicContact CB-CE2 4.29Å; A379-Y381 VanDerWaalsContact O-CD2 3.31Å; A379-Y381 WeakPolarHBondContact O-CD2 3.31Å; A379-Y381 VanDerWaalsContact O-CE2 3.26Å; A379-Y381 WeakPolarHBondContact O-CE2 3.29Å
380	H	97.4	Very high	97	Very high	76 Å²	76	52.8 Å²	52.8	35%	0.352	27%	0.274	S	S	.	.			trans	-96.8	126.8	177.2	-59.5	-73.7	0	0	0	111	R373 T378 N415 F416	R373-H380 PolarHBondContact NE-O 2.87Å; R373-H380 PolarHBondContact NH2-O 3.3Å; T378-H380 PolarHBondContact OG1-CD2 2.85Å; H380-N415 HydrophobicContact CB-CB 3.8Å; H380-N415 VanDerWaalsContact CD2-CG 3.44Å; H380-N415 PolarHBondContact CD2-OD1 3.14Å; H380-N415 VanDerWaalsContact CG-CG 3.42Å; H380-N415 PolarHBondContact NE2-OD1 3.07Å; H380-N415 VanDerWaalsContact NE2-OD1 3.14Å; H380-F416 HydrophobicContact CB-CE2 4.11Å; H380-F416 HydrophobicContact CB-CZ 4.35Å; H380-F416 WeakPolarHBondContact O-CZ 3.1Å
381	Y	97.7	Very high	97	Very high	44 Å²	44	54.9 Å²	54.9	17%	0.173	29%	0.285	C	S	.	.			trans	-117.2	157.2	-173.7	-60.2	-84.9	0	0	0	111.7	V306 E311 A314 A379 H383	V306-Y381 HydrophobicContact CG1-CD1 4.07Å; V306-Y381 HydrophobicContact CG1-CD2 3.89Å; V306-Y381 HydrophobicContact CG1-CE1 3.81Å; V306-Y381 HydrophobicContact CG1-CE2 3.65Å; V306-Y381 HydrophobicContact CG1-CG 4.09Å; E311-Y381 HydrophobicContact CB-CE1 4.09Å; E311-Y381 WeakPolarHBondContact OE2-CE1 3.5Å; A314-Y381 HydrophobicContact CB-CD1 4.46Å; A379-Y381 HydrophobicContact CB-CE2 4.29Å; A379-Y381 VanDerWaalsContact O-CD2 3.31Å; A379-Y381 WeakPolarHBondContact O-CD2 3.31Å; A379-Y381 VanDerWaalsContact O-CE2 3.26Å; A379-Y381 WeakPolarHBondContact O-CE2 3.29Å; Y381-H383 VanDerWaalsContact CB-CE1 3.47Å; Y381-H383 WeakPolarHBondContact CB-CE1 3.24Å; Y381-H383 WeakPolarHBondContact CB-ND1 3.43Å; Y381-H383 AromaticContact CG-CE1 3.97Å; Y381-H383 PolarHBondContact O-N 3.48Å
382	L	97	Very high	96.8	Very high	2 Å²	2	59.1 Å²	59.1	1%	0.01	31%	0.307	C	S	.	.			trans	-85.4	87.5	170.4	-67.8	172.9	0	0	0	108.4	A356 A357 C360 C371 F416	A356-L382 VanDerWaalsContact CB-C 3.44Å; A356-L382 HydrophobicContact CB-CB 4.22Å; A356-L382 VanDerWaalsContact CB-O 3.3Å; A356-L382 WeakPolarHBondContact CB-O 3.3Å; A357-L382 HydrophobicContact CB-CD1 4.35Å; C360-L382 HydrophobicContact CB-CD2 3.89Å; C371-L382 HydrophobicContact CB-CD1 4.13Å; C371-L382 HydrophobicContact CB-CD2 4.1Å; L382-F416 HydrophobicContact CD1-CE1 4.25Å; L382-F416 HydrophobicContact CD2-CD1 3.88Å; L382-F416 HydrophobicContact CD2-CD2 4.34Å; L382-F416 HydrophobicContact CD2-CE1 3.66Å; L382-F416 HydrophobicContact CD2-CE2 4.11Å; L382-F416 HydrophobicContact CD2-CG 4.23Å; L382-F416 HydrophobicContact CD2-CZ 3.77Å; L382-F416 HydrophobicContact CG-CD1 4.23Å; L382-F416 HydrophobicContact CG-CE1 3.61Å; L382-F416 HydrophobicContact CG-CZ 3.84Å
383	H	97.4	Very high	96.6	Very high	50 Å²	50	63.6 Å²	63.6	23%	0.231	33%	0.326	C	S	.	.			trans	-128.1	149	173.3	-63.5	137.9	0	0	0	110.5	Y349 N352 Y381	Y349-H383 AromaticContact CE2-NE2 3.59Å; Y349-H383 AromaticContact CZ-NE2 3.56Å; Y349-H383 PolarHBondContact OH-NE2 2.61Å; N352-H383 WeakPolarHBondContact OD1-CA 3.17Å; N352-H383 WeakPolarHBondContact OD1-CB 3.48Å; Y381-H383 VanDerWaalsContact CB-CE1 3.47Å; Y381-H383 WeakPolarHBondContact CB-CE1 3.24Å; Y381-H383 WeakPolarHBondContact CB-ND1 3.43Å; Y381-H383 AromaticContact CG-CE1 3.97Å; Y381-H383 PolarHBondContact O-N 3.48Å
384	L	97.5	Very high	96.2	Very high	5 Å²	5	65.4 Å²	65.4	3%	0.026	34%	0.342	C	S	.	.			trans	-79.4	129.8	169.7	-61.8	-179.4	0	0	0	109.4	N352 A355 A356 L359 P386 F389 A400	N352-L384 PolarHBondContact ND2-O 3.27Å; N352-L384 PolarHBondContact OD1-N 3.3Å; A355-L384 HydrophobicContact CB-CD1 3.72Å; A356-L384 HydrophobicContact CB-CD2 4.01Å; A356-L384 HydrophobicContact CB-CG 4.03Å; L359-L384 HydrophobicContact CD2-CD2 3.79Å; L384-P386 WeakPolarHBondContact O-CD 3.01Å; L384-F389 HydrophobicContact CB-CB 3.95Å; L384-F389 HydrophobicContact CB-CD2 4.11Å; L384-F389 HydrophobicContact CB-CG 4.01Å; L384-F389 HydrophobicContact CD1-CB 4.22Å; L384-F389 HydrophobicContact CD1-CD1 3.95Å; L384-F389 HydrophobicContact CD1-CG 4.04Å; L384-F389 HydrophobicContact CD2-CD1 4.34Å; L384-F389 HydrophobicContact CD2-CD2 4.13Å; L384-F389 HydrophobicContact CD2-CE1 4.34Å; L384-F389 HydrophobicContact CD2-CE2 4.13Å; L384-F389 HydrophobicContact CD2-CG 4.24Å; L384-F389 HydrophobicContact CD2-CZ 4.25Å; L384-F389 HydrophobicContact CG-CG 4.34Å; L384-A400 HydrophobicContact CD1-CB 3.38Å
385	N	96.4	Very high	95.7	Very high	53 Å²	53	66.2 Å²	66.2	28%	0.283	36%	0.362	S	S	.	.			trans	-65.2	122	176.4	-174.9	-13.7	0	0	0	110	T387 S388 F389 D408	N385-T387 VanDerWaalsContact CG-OG1 3.23Å; N385-T387 PolarHBondContact ND2-OG1 2.75Å; N385-T387 PolarHBondContact O-N 2.89Å; N385-T387 PolarHBondContact OD1-N 3.24Å; N385-T387 PolarHBondContact OD1-OG1 2.71Å; N385-S388 PolarHBondContact O-N 3.08Å; N385-S388 VanDerWaalsContact O-N 3.08Å; N385-F389 PolarHBondContact O-N 2.81Å; N385-D408 VanDerWaalsContact CB-OD1 3.26Å; N385-D408 WeakPolarHBondContact CB-OD1 3Å; N385-D408 PolarHBondContact ND2-OD1 3.19Å
386	P	96	Very high	95.1	Very high	93 Å²	93	64.7 Å²	64.7	60%	0.604	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-11.9	-179.8	28.8	-37	0	0	0	113.9	L384 R390	L384-P386 WeakPolarHBondContact O-CD 3.01Å; P386-R390 PolarHBondContact O-NH1 3.46Å
387	T	96.3	Very high	95	Very high	112 Å²	112	67 Å²	67	69%	0.687	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-31.7	170.6	61.3	0	0	0	0	111.9	N385	N385-T387 VanDerWaalsContact CG-OG1 3.23Å; N385-T387 PolarHBondContact ND2-OG1 2.75Å; N385-T387 PolarHBondContact O-N 2.89Å; N385-T387 PolarHBondContact OD1-N 3.24Å; N385-T387 PolarHBondContact OD1-OG1 2.71Å
388	S	96.7	Very high	95	Very high	24 Å²	24	64 Å²	64	17%	0.168	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-24.4	-175.9	-56.9	0	0	0	0	113.5	N385 G402 L403 D408	N385-S388 PolarHBondContact O-N 3.08Å; N385-S388 VanDerWaalsContact O-N 3.08Å; S388-G402 WeakPolarHBondContact O-CA 3.04Å; S388-L403 WeakPolarHBondContact CB-O 3.3Å; S388-L403 PolarHBondContact O-N 2.82Å; S388-D408 WeakPolarHBondContact CB-OD2 3.17Å; S388-D408 PolarHBondContact OG-OD2 2.67Å
389	F	97.9	Very high	95	Very high	11 Å²	11	63.5 Å²	63.5	5%	0.048	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	148.9	-174.9	-74.7	-92.2	0	0	0	113.4	L359 L384 N385 V401 G402 P404 Q437	L359-F389 HydrophobicContact CD2-CE1 4.02Å; L359-F389 HydrophobicContact CD2-CE2 4.05Å; L359-F389 HydrophobicContact CD2-CZ 3.38Å; L384-F389 HydrophobicContact CB-CB 3.95Å; L384-F389 HydrophobicContact CB-CD2 4.11Å; L384-F389 HydrophobicContact CB-CG 4.01Å; L384-F389 HydrophobicContact CD1-CB 4.22Å; L384-F389 HydrophobicContact CD1-CD1 3.95Å; L384-F389 HydrophobicContact CD1-CG 4.04Å; L384-F389 HydrophobicContact CD2-CD1 4.34Å; L384-F389 HydrophobicContact CD2-CD2 4.13Å; L384-F389 HydrophobicContact CD2-CE1 4.34Å; L384-F389 HydrophobicContact CD2-CE2 4.13Å; L384-F389 HydrophobicContact CD2-CG 4.24Å; L384-F389 HydrophobicContact CD2-CZ 4.25Å; L384-F389 HydrophobicContact CG-CG 4.34Å; N385-F389 PolarHBondContact O-N 2.81Å; F389-V401 WeakPolarHBondContact CA-O 3.32Å; F389-G402 WeakPolarHBondContact CE1-O 3.31Å; F389-P404 HydrophobicContact CE2-CB 3.94Å; F389-P404 HydrophobicContact CZ-CB 4.3Å; F389-P404 HydrophobicContact CZ-CG 4.41Å; F389-Q437 HydrophobicContact CE1-CB 4.27Å
390	R	97.3	Very high	95.1	Very high	150 Å²	150	60.3 Å²	60.3	57%	0.566	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118	132.8	167.1	-63.2	-70.3	176.5	-118	-0.8	109.1	P386 L392 A400 V401	P386-R390 PolarHBondContact O-NH1 3.46Å; R390-L392 HydrophobicContact CB-CD2 4.25Å; R390-L392 HydrophobicContact CB-CG 4.2Å; R390-A400 WeakPolarHBondContact O-CA 3.31Å; R390-V401 PolarHBondContact N-O 2.94Å; R390-V401 PolarHBondContact O-N 3.1Å
391	I	96.6	Very high	95.1	Very high	52 Å²	52	59 Å²	59	27%	0.267	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	115.9	170.7	-64.7	171.4	0	0	0	106.7	A351 N352 Y398 A400	A351-I391 HydrophobicContact CB-CG2 3.9Å; N352-I391 VanDerWaalsContact CA-CD1 3.44Å; N352-I391 HydrophobicContact CB-CD1 3.36Å; I391-Y398 HydrophobicContact CG2-CD1 3.68Å; I391-Y398 HydrophobicContact CG2-CE1 4.26Å; I391-A400 HydrophobicContact CG1-CB 4.47Å
392	L	95.4	Very high	95.1	Very high	92 Å²	92	57.3 Å²	57.3	48%	0.482	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	155.9	-175	-57.8	176.2	0	0	0	109.3	R390 Y398 I399	R390-L392 HydrophobicContact CB-CD2 4.25Å; R390-L392 HydrophobicContact CB-CG 4.2Å; L392-Y398 CarbonylContact O-C 3.5Å; L392-Y398 WeakPolarHBondContact O-CA 3.45Å; L392-I399 PolarHBondContact N-O 3.39Å; L392-I399 PolarHBondContact O-N 3.03Å
393	K	93.1	Very high	95.1	Very high	109 Å²	109	60.8 Å²	60.8	47%	0.474	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	120.8	169.3	-164.8	172.9	-173.3	171.2	0	108.6	D52 K397	D52-K393 IonicContact OD1-NZ 3.06Å; D52-K393 PolarHBondContact OD1-NZ 3.16Å; D52-K393 IonicContact OD2-NZ 3.76Å; D52-K393 PolarHBondContact OD2-NZ 2.75Å; K393-K397 CarbonylContact C-O 3.58Å; K393-K397 WeakPolarHBondContact CA-O 3.33Å
394	A	89.6	Confident	95	Very high	45 Å²	45	59 Å²	59	37%	0.372	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	131.9	178.4	0	0	0	0	0	109.7	G396 K397 I399	A394-G396 PolarHBondContact O-N 2.89Å; A394-K397 PolarHBondContact N-O 2.9Å; A394-K397 PolarHBondContact O-N 3.06Å; A394-I399 HydrophobicContact CB-CD1 3.83Å; A394-I399 HydrophobicContact CB-CG1 4.5Å
395	S	85.5	Confident	95	Very high	131 Å²	131	60.8 Å²	60.8	92%	0.916	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.7	41.7	-177.8	-54.7	0	0	0	0	113.4	K397	S395-K397 PolarHBondContact O-N 2.92Å
396	G	85.9	Confident	94.9	Very high	50 Å²	50	61.1 Å²	61.1	52%	0.515	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.1	8.4	179.5	0	0	0	0	0	115.6	A54 A394	A54-G396 WeakPolarHBondContact CB-O 3.46Å; A394-G396 PolarHBondContact O-N 2.89Å
397	K	92.3	Very high	94.9	Very high	127 Å²	127	60.1 Å²	60.1	55%	0.552	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.4	153.8	177.4	-65.3	-169	176.6	-170.2	0	112	K393 A394 S395	K393-K397 CarbonylContact C-O 3.58Å; K393-K397 WeakPolarHBondContact CA-O 3.33Å; A394-K397 PolarHBondContact N-O 2.9Å; A394-K397 PolarHBondContact O-N 3.06Å; S395-K397 PolarHBondContact O-N 2.92Å
398	Y	97.1	Very high	94.8	Very high	13 Å²	13	55.5 Å²	55.5	5%	0.051	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	135.9	171	-77.6	-87.1	0	0	0	110.9	D52 A54 A55 S347 P348 A351 I391 L392 V441	D52-Y398 PolarHBondContact OD2-OH 2.88Å; A54-Y398 HydrophobicContact CB-CD2 3.85Å; A54-Y398 HydrophobicContact CB-CE2 3.95Å; A55-Y398 HydrophobicContact CB-CD2 3.7Å; A55-Y398 HydrophobicContact CB-CE2 3.9Å; A55-Y398 HydrophobicContact CB-CG 4.44Å; S347-Y398 VanDerWaalsContact CB-OH 3.29Å; S347-Y398 WeakPolarHBondContact CB-OH 3.48Å; P348-Y398 HydrophobicContact CG-CE1 4.48Å; A351-Y398 HydrophobicContact CB-CD1 3.77Å; A351-Y398 HydrophobicContact CB-CD2 4.42Å; A351-Y398 HydrophobicContact CB-CE1 4.46Å; A351-Y398 HydrophobicContact CB-CG 3.72Å; I391-Y398 HydrophobicContact CG2-CD1 3.68Å; I391-Y398 HydrophobicContact CG2-CE1 4.26Å; L392-Y398 CarbonylContact O-C 3.5Å; L392-Y398 WeakPolarHBondContact O-CA 3.45Å; Y398-V441 PolarHBondContact O-N 3.32Å
399	I	97	Very high	94.7	Very high	26 Å²	26	54.7 Å²	54.7	13%	0.133	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	129.3	176	-51	-176.1	0	0	0	108.1	L392 A394 V401 L438 I439 R440	L392-I399 PolarHBondContact N-O 3.39Å; L392-I399 PolarHBondContact O-N 3.03Å; A394-I399 HydrophobicContact CB-CD1 3.83Å; A394-I399 HydrophobicContact CB-CG1 4.5Å; I399-V401 HydrophobicContact CG2-CG2 3.74Å; I399-L438 HydrophobicContact CG2-CD2 3.73Å; I399-L438 HydrophobicContact CG2-CG 3.73Å; I399-I439 CarbonylContact C-O 3.57Å; I399-I439 VanDerWaalsContact CA-O 3.27Å; I399-I439 WeakPolarHBondContact CA-O 3.39Å; I399-I439 WeakPolarHBondContact CG2-O 3.34Å; I399-R440 HydrophobicContact CD1-CG 4.5Å; I399-R440 HydrophobicContact CG1-CG 4.36Å
400	A	97.5	Very high	94.6	Very high	1 Å²	1	57.2 Å²	57.2	1%	0.008	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	125.6	165.6	0	0	0	0	0	109.5	A355 L384 R390 I391 I439	A355-A400 HydrophobicContact CB-CB 3.71Å; L384-A400 HydrophobicContact CD1-CB 3.38Å; R390-A400 WeakPolarHBondContact O-CA 3.31Å; I391-A400 HydrophobicContact CG1-CB 4.47Å; A400-I439 HydrophobicContact CB-CB 4.29Å; A400-I439 PolarHBondContact N-O 3.36Å; A400-I439 PolarHBondContact O-N 3.16Å
401	V	97.8	Very high	94.4	Very high	48 Å²	48	53.7 Å²	53.7	29%	0.291	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	127.6	178.7	-174.2	0	0	0	0	108.9	F389 R390 I399 V436 Q437 L438	F389-V401 WeakPolarHBondContact CA-O 3.32Å; R390-V401 PolarHBondContact N-O 2.94Å; R390-V401 PolarHBondContact O-N 3.1Å; I399-V401 HydrophobicContact CG2-CG2 3.74Å; V401-V436 HydrophobicContact CG1-CG1 3.54Å; V401-Q437 WeakPolarHBondContact CA-O 3.43Å; V401-L438 HydrophobicContact CG2-CG 4.42Å
402	G	97.3	Very high	94.3	Very high	10 Å²	10	52.2 Å²	52.2	10%	0.103	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.3	172.2	179.7	0	0	0	0	0	113.5	S388 F389 Q437	S388-G402 WeakPolarHBondContact O-CA 3.04Å; F389-G402 WeakPolarHBondContact CE1-O 3.31Å; G402-Q437 PolarHBondContact N-O 2.95Å; G402-Q437 VanDerWaalsContact N-O 3.1Å; G402-Q437 WeakPolarHBondContact O-CA 3.26Å; G402-Q437 VanDerWaalsContact O-CB 3.31Å; G402-Q437 WeakPolarHBondContact O-CB 2.96Å; G402-Q437 PolarHBondContact O-N 2.91Å
403	L	97.1	Very high	94.3	Very high	75 Å²	75	50.6 Å²	50.6	39%	0.393	31%	0.309	S	S	.	.			trans	-122.3	119.2	173.9	-179	72.1	0	0	0	107.5	S388 S405 P433 Q435	S388-L403 WeakPolarHBondContact CB-O 3.3Å; S388-L403 PolarHBondContact O-N 2.82Å; L403-S405 PolarHBondContact O-N 2.61Å; L403-P433 HydrophobicContact CD1-CB 4.21Å; L403-P433 HydrophobicContact CD1-CG 4.1Å; L403-Q435 WeakPolarHBondContact CD1-O 3.36Å
404	P	95.9	Very high	94.5	Very high	11 Å²	11	51.3 Å²	51.3	7%	0.071	31%	0.314	C	S	.	.			trans	-65.8	137.2	179.9	28.3	-31.6	0	0	0	109.9	L363 F389 D408 L409 P433	L363-P404 HydrophobicContact CD1-CG 4.22Å; F389-P404 HydrophobicContact CE2-CB 3.94Å; F389-P404 HydrophobicContact CZ-CB 4.3Å; F389-P404 HydrophobicContact CZ-CG 4.41Å; P404-D408 HydrophobicContact CB-CB 4.19Å; P404-L409 HydrophobicContact CB-CD2 3.86Å; P404-L409 HydrophobicContact CB-CG 4.03Å; P404-L409 HydrophobicContact CG-CD1 4.31Å; P404-L409 HydrophobicContact CG-CD2 3.76Å; P404-L409 HydrophobicContact CG-CG 4.16Å; P404-P433 HydrophobicContact CG-CG 3.59Å
405	S	95.7	Very high	94.9	Very high	44 Å²	44	50.5 Å²	50.5	31%	0.308	30%	0.303	S	S	.	.			trans	-70.4	164.6	174.5	70.7	0	0	0	0	111	L403 S407 D408 L409	L403-S405 PolarHBondContact O-N 2.61Å; S405-S407 PolarHBondContact O-N 3.02Å; S405-S407 PolarHBondContact OG-N 3.31Å; S405-D408 WeakPolarHBondContact CB-OD2 3.46Å; S405-D408 PolarHBondContact N-OD2 2.83Å; S405-D408 PolarHBondContact O-N 2.9Å; S405-D408 PolarHBondContact OG-N 3.33Å; S405-D408 VanDerWaalsContact OG-N 3.11Å; S405-D408 PolarHBondContact OG-OD1 2.77Å; S405-D408 PolarHBondContact OG-OD2 2.85Å; S405-L409 WeakPolarHBondContact O-CG 3.46Å; S405-L409 PolarHBondContact O-N 3.49Å
406	A	95.1	Very high	95.5	Very high	60 Å²	60	44.3 Å²	44.3	50%	0.496	26%	0.26	S	S	.	.	H	α-helix	trans	-58.7	-34.4	172.4	0	0	0	0	0	112	N410	A406-N410 WeakPolarHBondContact O-CB 3.36Å; A406-N410 PolarHBondContact O-N 2.85Å; A406-N410 PolarHBondContact O-ND2 2.8Å; A406-N410 PolarHBondContact O-OD1 3.1Å
407	S	95.1	Very high	96.1	Very high	71 Å²	71	43.6 Å²	43.6	50%	0.497	25%	0.245	S	C	.	.	H	α-helix	trans	-63.8	-48.8	175.1	-164.5	0	0	0	0	111.3	S405 L409 N410 D411	S405-S407 PolarHBondContact O-N 3.02Å; S405-S407 PolarHBondContact OG-N 3.31Å; S407-L409 PolarHBondContact O-N 3.33Å; S407-N410 PolarHBondContact O-N 3.13Å; S407-N410 VanDerWaalsContact O-N 3.14Å; S407-D411 PolarHBondContact O-N 2.66Å
408	D	94.7	Very high	96.3	Very high	16 Å²	16	38 Å²	38	9%	0.086	22%	0.222	C	C	.	.	H	α-helix	trans	-56.6	-40.9	-179.7	-59.8	-39	0	0	0	111.3	N385 S388 P404 S405 W412	N385-D408 VanDerWaalsContact CB-OD1 3.26Å; N385-D408 WeakPolarHBondContact CB-OD1 3Å; N385-D408 PolarHBondContact ND2-OD1 3.19Å; S388-D408 WeakPolarHBondContact CB-OD2 3.17Å; S388-D408 PolarHBondContact OG-OD2 2.67Å; P404-D408 HydrophobicContact CB-CB 4.19Å; S405-D408 WeakPolarHBondContact CB-OD2 3.46Å; S405-D408 PolarHBondContact N-OD2 2.83Å; S405-D408 PolarHBondContact O-N 2.9Å; S405-D408 PolarHBondContact OG-N 3.33Å; S405-D408 VanDerWaalsContact OG-N 3.11Å; S405-D408 PolarHBondContact OG-OD1 2.77Å; S405-D408 PolarHBondContact OG-OD2 2.85Å; D408-W412 PolarHBondContact O-N 3.32Å
409	L	95.5	Very high	96.3	Very high	6 Å²	6	38 Å²	38	3%	0.031	22%	0.223	C	C	.	.	H	α-helix	trans	-73.8	-38.7	179.9	-61.8	171.9	0	0	0	112.5	L363 P404 S405 S407 D411 W412 V413 L430 R432	L363-L409 HydrophobicContact CD1-CD2 3.8Å; P404-L409 HydrophobicContact CB-CD2 3.86Å; P404-L409 HydrophobicContact CB-CG 4.03Å; P404-L409 HydrophobicContact CG-CD1 4.31Å; P404-L409 HydrophobicContact CG-CD2 3.76Å; P404-L409 HydrophobicContact CG-CG 4.16Å; S405-L409 WeakPolarHBondContact O-CG 3.46Å; S405-L409 PolarHBondContact O-N 3.49Å; S407-L409 PolarHBondContact O-N 3.33Å; L409-D411 VanDerWaalsContact C-N 3.34Å; L409-W412 HydrophobicContact CD2-CE3 4.44Å; L409-W412 PolarHBondContact O-N 3.27Å; L409-V413 WeakPolarHBondContact O-CG2 3.49Å; L409-V413 PolarHBondContact O-N 3.2Å; L409-L430 HydrophobicContact CB-CD1 4.13Å; L409-L430 HydrophobicContact CB-CD2 3.73Å; L409-L430 HydrophobicContact CD1-CD2 4.48Å; L409-L430 HydrophobicContact CD2-CD1 3.97Å; L409-L430 HydrophobicContact CG-CD1 4.5Å; L409-R432 HydrophobicContact CD1-CB 4.46Å; L409-R432 HydrophobicContact CD1-CG 4.16Å
410	N	94.9	Very high	96.4	Very high	65 Å²	65	37.9 Å²	37.9	35%	0.348	22%	0.224	S	C	.	.	H	α-helix	trans	-64.6	-41.6	176.2	-70.4	-9.9	0	0	0	110.5	A406 S407 W412 V413 E414 R432	A406-N410 WeakPolarHBondContact O-CB 3.36Å; A406-N410 PolarHBondContact O-N 2.85Å; A406-N410 PolarHBondContact O-ND2 2.8Å; A406-N410 PolarHBondContact O-OD1 3.1Å; S407-N410 PolarHBondContact O-N 3.13Å; S407-N410 VanDerWaalsContact O-N 3.14Å; N410-W412 PolarHBondContact O-N 3.38Å; N410-V413 PolarHBondContact O-N 2.98Å; N410-V413 VanDerWaalsContact O-N 3.13Å; N410-E414 WeakPolarHBondContact O-CB 3.37Å; N410-E414 WeakPolarHBondContact O-CG 3.46Å; N410-E414 PolarHBondContact O-N 2.85Å; N410-R432 PolarHBondContact OD1-NH2 2.86Å; N410-R432 VanDerWaalsContact OD1-NH2 3.14Å
411	D	94.4	Very high	96.4	Very high	76 Å²	76	38.3 Å²	38.3	41%	0.406	23%	0.225	S	C	.	.	H	α-helix	trans	-56.5	-40	174.9	-71.9	-18.1	0	0	0	111.7	S407 L409 N415	S407-D411 PolarHBondContact O-N 2.66Å; L409-D411 VanDerWaalsContact C-N 3.34Å; D411-N415 VanDerWaalsContact O-CB 3.32Å; D411-N415 WeakPolarHBondContact O-CB 3.39Å; D411-N415 PolarHBondContact O-N 2.83Å; D411-N415 VanDerWaalsContact O-N 3.1Å; D411-N415 PolarHBondContact O-ND2 3.33Å
412	W	94.4	Very high	96.3	Very high	20 Å²	20	37.4 Å²	37.4	8%	0.076	22%	0.223	C	C	.	.	H	α-helix	trans	-68.4	-45.7	175.4	-73.2	0.8	0	0	0	112.8	L359 C360 L363 D408 L409 N410 E414 N415 F416	L359-W412 HydrophobicContact CB-CH2 3.83Å; L359-W412 HydrophobicContact CB-CZ3 4.27Å; L359-W412 HydrophobicContact CD2-CH2 3.67Å; L359-W412 HydrophobicContact CD2-CZ3 4.2Å; L359-W412 HydrophobicContact CG-CH2 3.63Å; L359-W412 HydrophobicContact CG-CZ3 3.84Å; C360-W412 HydrophobicContact CB-CD2 4.34Å; C360-W412 HydrophobicContact CB-CE3 3.98Å; C360-W412 HydrophobicContact CB-CH2 4.08Å; C360-W412 HydrophobicContact CB-CZ2 4.46Å; C360-W412 HydrophobicContact CB-CZ3 3.84Å; L363-W412 HydrophobicContact CD1-CZ3 4.41Å; D408-W412 PolarHBondContact O-N 3.32Å; L409-W412 HydrophobicContact CD2-CE3 4.44Å; L409-W412 PolarHBondContact O-N 3.27Å; N410-W412 PolarHBondContact O-N 3.38Å; W412-E414 VanDerWaalsContact C-N 3.27Å; W412-E414 PolarHBondContact O-N 2.94Å; W412-N415 PolarHBondContact O-N 2.76Å; W412-F416 WeakPolarHBondContact O-CA 3.43Å; W412-F416 WeakPolarHBondContact O-CB 3.47Å; W412-F416 PolarHBondContact O-N 3.43Å
413	V	95.6	Very high	96.1	Very high	58 Å²	58	41.1 Å²	41.1	35%	0.352	26%	0.261	S	S	.	.	H	α-helix	trans	-61.1	-38.5	177.8	170.1	0	0	0	0	111.3	L364 K374 L409 N410 L430	L364-V413 HydrophobicContact CD1-CG2 4.04Å; K374-V413 WeakPolarHBondContact CE-O 3.33Å; K374-V413 PolarHBondContact NZ-O 3.35Å; L409-V413 WeakPolarHBondContact O-CG2 3.49Å; L409-V413 PolarHBondContact O-N 3.2Å; N410-V413 PolarHBondContact O-N 2.98Å; N410-V413 VanDerWaalsContact O-N 3.13Å; V413-L430 HydrophobicContact CG2-CB 3.72Å; V413-L430 HydrophobicContact CG2-CD1 4.1Å; V413-L430 HydrophobicContact CG2-CD2 3.75Å; V413-L430 HydrophobicContact CG2-CG 4.06Å
414	E	96.7	Very high	96	Very high	124 Å²	124	44.5 Å²	44.5	58%	0.579	27%	0.269	S	S	*	.	H	α-helix	trans	-68.1	-44.8	178.8	-74.4	178.2	-170.6	0	0	111.4	K374 N410 W412	K374-E414 WeakPolarHBondContact CD-O 3.43Å; K374-E414 WeakPolarHBondContact CE-O 3.11Å; K374-E414 PolarHBondContact NZ-O 3.02Å; N410-E414 WeakPolarHBondContact O-CB 3.37Å; N410-E414 WeakPolarHBondContact O-CG 3.46Å; N410-E414 PolarHBondContact O-N 2.85Å; W412-E414 VanDerWaalsContact C-N 3.27Å; W412-E414 PolarHBondContact O-N 2.94Å
415	N	97.8	Very high	95.9	Very high	28 Å²	28	48.9 Å²	48.9	15%	0.15	30%	0.3	C	S	.	.	H	α-helix	trans	-104.4	-15.2	-164.8	-63.9	-65.3	0	0	0	115.5	R373 K374 H380 D411 W412	R373-N415 WeakPolarHBondContact CA-O 3.47Å; K374-N415 PolarHBondContact N-O 2.04Å; H380-N415 HydrophobicContact CB-CB 3.8Å; H380-N415 VanDerWaalsContact CD2-CG 3.44Å; H380-N415 PolarHBondContact CD2-OD1 3.14Å; H380-N415 VanDerWaalsContact CG-CG 3.42Å; H380-N415 PolarHBondContact NE2-OD1 3.07Å; H380-N415 VanDerWaalsContact NE2-OD1 3.14Å; D411-N415 VanDerWaalsContact O-CB 3.32Å; D411-N415 WeakPolarHBondContact O-CB 3.39Å; D411-N415 PolarHBondContact O-N 2.83Å; D411-N415 VanDerWaalsContact O-N 3.1Å; D411-N415 PolarHBondContact O-ND2 3.33Å; W412-N415 PolarHBondContact O-N 2.76Å
416	F	98.1	Very high	95.8	Very high	2 Å²	2	47.6 Å²	47.6	1%	0.009	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	149.7	-177.1	-66.4	-93.1	0	0	0	112.4	A314 L364 C371 V372 R373 K374 H380 L382 W412	A314-F416 HydrophobicContact CB-CE1 4.04Å; A314-F416 HydrophobicContact CB-CZ 4.31Å; L364-F416 HydrophobicContact CD2-CB 4.01Å; C371-F416 HydrophobicContact CB-CB 4.37Å; C371-F416 HydrophobicContact CB-CD1 4.22Å; V372-F416 CarbonylContact O-C 3.59Å; V372-F416 WeakPolarHBondContact O-CA 3.37Å; R373-F416 HydrophobicContact CB-CD1 4.31Å; R373-F416 HydrophobicContact CB-CE1 4.01Å; K374-F416 WeakPolarHBondContact CE-O 3.29Å; H380-F416 HydrophobicContact CB-CE2 4.11Å; H380-F416 HydrophobicContact CB-CZ 4.35Å; H380-F416 WeakPolarHBondContact O-CZ 3.1Å; L382-F416 HydrophobicContact CD1-CE1 4.25Å; L382-F416 HydrophobicContact CD2-CD1 3.88Å; L382-F416 HydrophobicContact CD2-CD2 4.34Å; L382-F416 HydrophobicContact CD2-CE1 3.66Å; L382-F416 HydrophobicContact CD2-CE2 4.11Å; L382-F416 HydrophobicContact CD2-CG 4.23Å; L382-F416 HydrophobicContact CD2-CZ 3.77Å; L382-F416 HydrophobicContact CG-CD1 4.23Å; L382-F416 HydrophobicContact CG-CE1 3.61Å; L382-F416 HydrophobicContact CG-CZ 3.84Å; W412-F416 WeakPolarHBondContact O-CA 3.43Å; W412-F416 WeakPolarHBondContact O-CB 3.47Å; W412-F416 PolarHBondContact O-N 3.43Å
417	T	97.7	Very high	95.7	Very high	34 Å²	34	50 Å²	50	21%	0.209	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	177.8	171.2	-169.1	0	0	0	0	109.2	L20 C371 V372 K374	L20-T417 HydrophobicContact CD1-CG2 3.94Å; C371-T417 CarbonylContact C-O 3.56Å; C371-T417 WeakPolarHBondContact CA-O 3.33Å; V372-T417 PolarHBondContact N-O 2.82Å; V372-T417 PolarHBondContact O-N 2.85Å; K374-T417 HydrophobicContact CG-CG2 4.15Å
418	C	97.7	Very high	95.7	Very high	11 Å²	11	49.9 Å²	49.9	7%	0.074	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	134.9	-179.3	-61.3	0	0	0	0	112	L364 C365 C426	L364-C418 PolarHBondContact O-SG 2.87Å; L364-C418 VanDerWaalsContact O-SG 3.35Å; C365-C418 WeakPolarHBondContact CA-SG 3.37Å; C365-C418 HydrophobicContact CB-CB 3.82Å; C365-C418 WeakPolarHBondContact CB-SG 3.31Å; C365-C418 VanDerWaalsContact SG-CA 3.51Å; C365-C418 WeakPolarHBondContact SG-CB 3.37Å; C365-C418 CovalentContact SG-SG 2.04Å; C365-C418 PolarHBondContact SG-SG 3.14Å; C418-C426 WeakPolarHBondContact CB-SG 3.42Å
419	Q	97.6	Very high	95.6	Very high	13 Å²	13	53.1 Å²	53.1	6%	0.061	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	114.1	160.5	-175.8	179.7	26.1	0	0	108.3	L20 P21 T23 G369 R370 V372	L20-Q419 HydrophobicContact CB-CB 4.31Å; L20-Q419 HydrophobicContact CB-CG 4.1Å; L20-Q419 HydrophobicContact CD1-CB 4.03Å; P21-Q419 WeakPolarHBondContact O-CG 3.12Å; P21-Q419 PolarHBondContact O-NE2 2.84Å; T23-Q419 HydrophobicContact CG2-CG 3.97Å; G369-Q419 CarbonylContact C-O 3.5Å; G369-Q419 WeakPolarHBondContact CA-O 3.26Å; R370-Q419 HydrophobicContact CG-CB 4.13Å; R370-Q419 PolarHBondContact N-O 3.36Å; R370-Q419 PolarHBondContact O-N 2.91Å; V372-Q419 HydrophobicContact CG2-CB 3.7Å
420	C	97.6	Very high	95.5	Very high	23 Å²	23	54.6 Å²	54.6	16%	0.155	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	149.3	-171.9	-51.1	0	0	0	0	112.8	P22 T23 C426	P22-C420 CarbonylContact C-O 3.49Å; P22-C420 VanDerWaalsContact CA-O 3.26Å; P22-C420 WeakPolarHBondContact CA-O 3.49Å; T23-C420 PolarHBondContact N-O 3.29Å; C420-C426 WeakPolarHBondContact CA-SG 3.43Å; C420-C426 HydrophobicContact CB-CB 3.96Å; C420-C426 WeakPolarHBondContact CB-SG 3.39Å; C420-C426 PolarHBondContact N-SG 2.9Å; C420-C426 VanDerWaalsContact N-SG 3.42Å; C420-C426 VanDerWaalsContact SG-C 3.51Å; C420-C426 WeakPolarHBondContact SG-CA 3.42Å; C420-C426 WeakPolarHBondContact SG-CB 3.11Å; C420-C426 PolarHBondContact SG-N 3.19Å; C420-C426 PolarHBondContact SG-O 3.22Å; C420-C426 CovalentContact SG-SG 2.04Å; C420-C426 PolarHBondContact SG-SG 3.14Å
421	Y	97.7	Very high	95.5	Very high	9 Å²	9	55.9 Å²	55.9	4%	0.035	31%	0.314	C	S	.	.	B	Isolated β-bridge	trans	-74.3	146.5	170.1	-59.5	-50.3	0	0	0	110.9	T23 E24 P26 P32 N368 R370 G423 W424	T23-Y421 HydrophobicContact CG2-CD1 4.01Å; T23-Y421 HydrophobicContact CG2-CE1 4.33Å; T23-Y421 CarbonylContact O-C 3.58Å; T23-Y421 VanDerWaalsContact O-CA 3.23Å; T23-Y421 WeakPolarHBondContact O-CA 3.01Å; E24-Y421 WeakPolarHBondContact O-CD1 3.35Å; P26-Y421 HydrophobicContact CG-CE1 3.78Å; P26-Y421 HydrophobicContact CG-CE2 3.82Å; P26-Y421 WeakPolarHBondContact CG-OH 2.89Å; P32-Y421 WeakPolarHBondContact CA-OH 2.88Å; P32-Y421 VanDerWaalsContact CB-OH 3.28Å; P32-Y421 WeakPolarHBondContact CB-OH 3.14Å; P32-Y421 WeakPolarHBondContact CG-OH 3.33Å; N368-Y421 WeakPolarHBondContact O-CD2 3.35Å; N368-Y421 PolarHBondContact O-N 3.36Å; R370-Y421 HydrophobicContact CB-CE1 4.35Å; Y421-G423 PolarHBondContact O-N 3.11Å; Y421-W424 WeakPolarHBondContact O-CB 3.07Å; Y421-W424 PolarHBondContact O-N 3.45Å
422	A	95.6	Very high	95.5	Very high	30 Å²	30	58.9 Å²	58.9	25%	0.248	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	128.8	179	0	0	0	0	0	110.9	T23 W424	T23-A422 PolarHBondContact O-N 3.49Å; A422-W424 VanDerWaalsContact C-N 3.31Å
423	G	94.5	Very high	95.5	Very high	88 Å²	88	59.2 Å²	59.2	91%	0.907	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	83	0.4	-176.3	0	0	0	0	0	115	Y421	Y421-G423 PolarHBondContact O-N 3.11Å
424	W	94.9	Very high	95.4	Very high	146 Å²	146	62.8 Å²	62.8	55%	0.553	35%	0.346	S	S	*	.			trans	-118.2	151.4	178.5	-55.4	81.4	0	0	0	111.4	N368 Y421 A422	N368-W424 HydrophobicContact CB-CB 3.98Å; N368-W424 VanDerWaalsContact OD1-CE3 3.25Å; Y421-W424 WeakPolarHBondContact O-CB 3.07Å; Y421-W424 PolarHBondContact O-N 3.45Å; A422-W424 VanDerWaalsContact C-N 3.31Å
425	S	93.1	Very high	95.3	Very high	102 Å²	102	63.8 Å²	63.8	71%	0.713	35%	0.351	S	S	*	.			trans	-103.5	132.4	169.5	-59.1	0	0	0	0	109.9	N368	N368-S425 WeakPolarHBondContact CB-O 3.43Å; N368-S425 PolarHBondContact ND2-O 3.23Å
426	C	94.3	Very high	95.2	Very high	17 Å²	17	67 Å²	67	12%	0.115	37%	0.371	C	S	.	.			trans	-145.3	154.6	176.9	85.2	0	0	0	0	109.2	N368 C418 C420	N368-C426 HydrophobicContact CB-CB 3.83Å; C418-C426 WeakPolarHBondContact CB-SG 3.42Å; C420-C426 WeakPolarHBondContact CA-SG 3.43Å; C420-C426 HydrophobicContact CB-CB 3.96Å; C420-C426 WeakPolarHBondContact CB-SG 3.39Å; C420-C426 PolarHBondContact N-SG 2.9Å; C420-C426 VanDerWaalsContact N-SG 3.42Å; C420-C426 VanDerWaalsContact SG-C 3.51Å; C420-C426 WeakPolarHBondContact SG-CA 3.42Å; C420-C426 WeakPolarHBondContact SG-CB 3.11Å; C420-C426 PolarHBondContact SG-N 3.19Å; C420-C426 PolarHBondContact SG-O 3.22Å; C420-C426 CovalentContact SG-SG 2.04Å; C420-C426 PolarHBondContact SG-SG 3.14Å
427	F	92.9	Very high	95.2	Very high	111 Å²	111	67.9 Å²	67.9	49%	0.487	38%	0.375	S	S	.	.			trans	-155.1	154.1	171.9	52.7	-86.4	0	0	0	107.2	E429	F427-E429 HydrophobicContact CD2-CB 3.82Å; F427-E429 HydrophobicContact CE2-CB 3.66Å; F427-E429 HydrophobicContact CE2-CG 4.17Å; F427-E429 WeakPolarHBondContact CE2-OE2 3.45Å; F427-E429 WeakPolarHBondContact CZ-OE2 3.44Å; F427-E429 PolarHBondContact O-N 3.29Å
428	P	93.4	Very high	95.1	Very high	69 Å²	69	70.9 Å²	70.9	45%	0.448	39%	0.39	S	S	.	.			trans	-66.1	96.8	-179.6	27.2	-34.2	0	0	0	109.9	L364	L364-P428 HydrophobicContact CD1-CB 4.08Å; L364-P428 HydrophobicContact CG-CB 4.35Å; L364-P428 WeakPolarHBondContact O-CA 3.27Å
429	E	93.1	Very high	95	Very high	83 Å²	83	70.8 Å²	70.8	39%	0.388	39%	0.388	S	S	.	.			trans	-134.1	109.8	176.4	-172.8	-172.2	158.1	0	0	108.4	L363 L364 K366 F427 Q431	L363-E429 VanDerWaalsContact O-O 3.1Å; L364-E429 PolarHBondContact O-N 3.38Å; K366-E429 WeakPolarHBondContact CE-OE2 3.49Å; K366-E429 IonicContact NZ-OE1 2.61Å; K366-E429 IonicContact NZ-OE2 2.95Å; K366-E429 PolarHBondContact NZ-OE2 2.92Å; F427-E429 HydrophobicContact CD2-CB 3.82Å; F427-E429 HydrophobicContact CE2-CB 3.66Å; F427-E429 HydrophobicContact CE2-CG 4.17Å; F427-E429 WeakPolarHBondContact CE2-OE2 3.45Å; F427-E429 WeakPolarHBondContact CZ-OE2 3.44Å; F427-E429 PolarHBondContact O-N 3.29Å; E429-Q431 PolarHBondContact O-N 2.97Å
430	L	94.5	Very high	94.9	Very high	37 Å²	37	78.3 Å²	78.3	19%	0.194	42%	0.416	C	S	.	.			trans	-74.2	117.2	-174.1	-177.5	69.8	0	0	0	111.7	L363 L364 L409 V413 R432	L363-L430 CarbonylContact O-C 3.56Å; L363-L430 WeakPolarHBondContact O-CA 3.32Å; L364-L430 HydrophobicContact CD1-CB 4.49Å; L409-L430 HydrophobicContact CB-CD1 4.13Å; L409-L430 HydrophobicContact CB-CD2 3.73Å; L409-L430 HydrophobicContact CD1-CD2 4.48Å; L409-L430 HydrophobicContact CD2-CD1 3.97Å; L409-L430 HydrophobicContact CG-CD1 4.5Å; V413-L430 HydrophobicContact CG2-CB 3.72Å; V413-L430 HydrophobicContact CG2-CD1 4.1Å; V413-L430 HydrophobicContact CG2-CD2 3.75Å; V413-L430 HydrophobicContact CG2-CG 4.06Å; L430-R432 HydrophobicContact CD2-CG 3.98Å; L430-R432 HydrophobicContact CG-CG 4.24Å
431	Q	94.3	Very high	94.6	Very high	93 Å²	93	78.2 Å²	78.2	44%	0.435	42%	0.415	S	S	.	.			trans	-88	115.7	164.2	-61.9	-176.1	-14	0	0	109.1	L363 E429 P433	L363-Q431 HydrophobicContact CD2-CB 4.46Å; L363-Q431 WeakPolarHBondContact CD2-O 3.46Å; L363-Q431 PolarHBondContact O-N 3.39Å; E429-Q431 PolarHBondContact O-N 2.97Å; Q431-P433 WeakPolarHBondContact O-CD 3.44Å
432	R	95.1	Very high	94.4	Very high	139 Å²	139	81.7 Å²	81.7	53%	0.525	43%	0.434	S	S	.	.			trans	-85.8	113	178.2	-64.4	-176.5	-178.1	-95.7	-4.3	109.3	L409 N410 L430	L409-R432 HydrophobicContact CD1-CB 4.46Å; L409-R432 HydrophobicContact CD1-CG 4.16Å; N410-R432 PolarHBondContact OD1-NH2 2.86Å; N410-R432 VanDerWaalsContact OD1-NH2 3.14Å; L430-R432 HydrophobicContact CD2-CG 3.98Å; L430-R432 HydrophobicContact CG-CG 4.24Å
433	P	94.2	Very high	94.4	Very high	27 Å²	27	84.4 Å²	84.4	18%	0.175	44%	0.443	C	S	.	.			trans	-70.2	139.5	177.5	29	-33.7	0	0	0	110.6	L363 L403 P404 Q431 Q437	L363-P433 HydrophobicContact CD1-CG 3.98Å; L363-P433 HydrophobicContact CD2-CG 4.39Å; L403-P433 HydrophobicContact CD1-CB 4.21Å; L403-P433 HydrophobicContact CD1-CG 4.1Å; P404-P433 HydrophobicContact CG-CG 3.59Å; Q431-P433 WeakPolarHBondContact O-CD 3.44Å; P433-Q437 HydrophobicContact CB-CG 4.19Å; P433-Q437 HydrophobicContact CG-CG 4.3Å
434	T	92.4	Very high	94.4	Very high	132 Å²	132	84.2 Å²	84.2	81%	0.81	42%	0.418	S	S	*	.			trans	-100.7	-7.4	172.7	53.9	0	0	0	0	112.9
435	Q	95.1	Very high	94.3	Very high	146 Å²	146	80.5 Å²	80.5	68%	0.682	41%	0.41	S	S	*	.	S	Bend	trans	-122.1	155.2	-177.2	-65	-178.7	-2.8	0	0	111	L403 Q437	L403-Q435 WeakPolarHBondContact CD1-O 3.36Å; Q435-Q437 PolarHBondContact O-N 2.93Å; Q435-Q437 PolarHBondContact O-NE2 3.05Å
436	V	96.2	Very high	94.4	Very high	95 Å²	95	79.2 Å²	79.2	58%	0.576	39%	0.391	S	S	*	.			trans	-54.7	129.5	173.2	176.5	0	0	0	0	109.7	V401	V401-V436 HydrophobicContact CG1-CG1 3.54Å
437	Q	97	Very high	94.4	Very high	20 Å²	20	83.3 Å²	83.3	9%	0.093	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	129.2	177.3	-57.6	-57.6	-57.4	0	0	109.2	L359 F389 V401 G402 P433 Q435	L359-Q437 HydrophobicContact CD1-CB 4.39Å; L359-Q437 HydrophobicContact CD1-CG 4.11Å; F389-Q437 HydrophobicContact CE1-CB 4.27Å; V401-Q437 WeakPolarHBondContact CA-O 3.43Å; G402-Q437 PolarHBondContact N-O 2.95Å; G402-Q437 VanDerWaalsContact N-O 3.1Å; G402-Q437 WeakPolarHBondContact O-CA 3.26Å; G402-Q437 VanDerWaalsContact O-CB 3.31Å; G402-Q437 WeakPolarHBondContact O-CB 2.96Å; G402-Q437 PolarHBondContact O-N 2.91Å; P433-Q437 HydrophobicContact CB-CG 4.19Å; P433-Q437 HydrophobicContact CG-CG 4.3Å; Q435-Q437 PolarHBondContact O-N 2.93Å; Q435-Q437 PolarHBondContact O-NE2 3.05Å
438	L	96	Very high	94.5	Very high	98 Å²	98	81.4 Å²	81.4	51%	0.513	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	114.5	172.2	-170.3	157.2	0	0	0	108.3	I399 V401 R440	I399-L438 HydrophobicContact CG2-CD2 3.73Å; I399-L438 HydrophobicContact CG2-CG 3.73Å; V401-L438 HydrophobicContact CG2-CG 4.42Å; L438-R440 HydrophobicContact CD2-CG 3.83Å
439	I	96.6	Very high	94.6	Very high	8 Å²	8	82.3 Å²	82.3	4%	0.041	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	117.3	-176.6	-48.9	170.1	0	0	0	108.1	A355 M358 L359 I399 A400	A355-I439 HydrophobicContact CB-CB 4.32Å; A355-I439 HydrophobicContact CB-CD1 4.3Å; A355-I439 HydrophobicContact CB-CG2 3.99Å; M358-I439 HydrophobicContact CB-CG2 4.11Å; M358-I439 HydrophobicContact CE-CG2 3.92Å; M358-I439 HydrophobicContact SD-CG2 3.71Å; L359-I439 HydrophobicContact CB-CD1 3.65Å; L359-I439 HydrophobicContact CD1-CD1 4.04Å; L359-I439 HydrophobicContact CD2-CD1 4.13Å; L359-I439 HydrophobicContact CG-CD1 4.15Å; I399-I439 CarbonylContact C-O 3.57Å; I399-I439 VanDerWaalsContact CA-O 3.27Å; I399-I439 WeakPolarHBondContact CA-O 3.39Å; I399-I439 WeakPolarHBondContact CG2-O 3.34Å; A400-I439 HydrophobicContact CB-CB 4.29Å; A400-I439 PolarHBondContact N-O 3.36Å; A400-I439 PolarHBondContact O-N 3.16Å
440	R	94.8	Very high	94.7	Very high	172 Å²	172	82.3 Å²	82.3	65%	0.649	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.6	121.7	174.6	-61.9	-179.3	179.3	176.2	-1.8	108.1	I399 L438	I399-R440 HydrophobicContact CD1-CG 4.5Å; I399-R440 HydrophobicContact CG1-CG 4.36Å; L438-R440 HydrophobicContact CD2-CG 3.83Å
441	V	90.6	Very high	94.7	Very high	20 Å²	20	86.4 Å²	86.4	12%	0.121	42%	0.42	C	S	.	.			trans	-83.4	0	177.4	179.7	0	0	0	0	110.9	H31 Q57 A351 T354 A355 Y398	H31-V441 PolarHBondContact NE2-OXT 3.27Å; Q57-V441 PolarHBondContact NE2-OXT 3.23Å; A351-V441 HydrophobicContact CB-CG2 4.26Å; A351-V441 WeakPolarHBondContact O-CG2 3.45Å; T354-V441 HydrophobicContact CG2-CG1 3.8Å; A355-V441 HydrophobicContact CB-CG2 3.84Å; Y398-V441 PolarHBondContact O-N 3.32Å

Retrieved 441 of 441 residues in 317.3 ms (Link to these results)

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