A0A096MM24_PAPAN Loading...

Protein O-glucosyltransferase 2

Protein glucosyltransferase that catalyzes the transfer of glucose from UDP-glucose to a serine residue within the consensus sequence peptide C-X-N-T-X-G-S-F-X-C. Can also catalyze the transfer of xylose from UDP-xylose but less efficiently. Specifically targets extracellular EGF repeats of proteins such as NOTCH1, NOTCH3, FBN1, FBN2 and LTBP1. May regulate the transport of NOTCH1 and NOTCH3 to the plasma membrane and thereby the Notch signaling pathway.

AlphaFold DB (A0A2K5N9C3), UniProt , Accession A0A096MM24, Species PAPAN (Papio anubis, Olive baboon), Gene POGLUT2, Length 502 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.4	Very low	32.4	Very low	241 Å²	241	164.2 Å²	164.2	100%	1.187	82%	0.817	S	S	*	*				0	129.9	0	-86.3	174.9	179.1	0	0	107.9
2	F	30.7	Very low	32.5	Very low	204 Å²	204	163.4 Å²	163.4	90%	0.895	82%	0.817	S	S	*	*			trans	-24.7	155.7	166.5	-68.4	-95.2	0	0	0	115.8
3	S	30.6	Very low	32.5	Very low	103 Å²	103	158.4 Å²	158.4	72%	0.72	82%	0.816	S	S	*	*			cis	-165.1	153.4	14.8	-136.2	0	0	0	0	111
4	I	35.5	Very low	32.5	Very low	130 Å²	130	156.4 Å²	156.4	67%	0.667	82%	0.815	S	S	*	*			trans	-40	144.5	166.9	-63.4	158.8	0	0	0	116.3	L6	I4-L6 HydrophobicContact CG2-CD1 3.6Å; I4-L6 HydrophobicContact CG2-CG 4.46Å
5	L	33.4	Very low	32.6	Very low	170 Å²	170	154.7 Å²	154.7	89%	0.89	81%	0.814	S	S	*	*			trans	-137.2	120.1	141.8	-132.1	98.9	0	0	0	110.4
6	L	32.9	Very low	32.6	Very low	125 Å²	125	152.1 Å²	152.1	65%	0.654	81%	0.809	S	S	*	*			trans	-75.9	133.4	175.8	-83.8	102.8	0	0	0	111	I4 Y8	I4-L6 HydrophobicContact CG2-CD1 3.6Å; I4-L6 HydrophobicContact CG2-CG 4.46Å; L6-Y8 HydrophobicContact CD2-CD2 4.3Å; L6-Y8 HydrophobicContact CD2-CE2 3.9Å
7	L	32.8	Very low	32.7	Very low	163 Å²	163	148.7 Å²	148.7	85%	0.853	81%	0.807	S	S	*	*			trans	-106.1	117.3	155.2	-102.6	98.5	0	0	0	109.1
8	Y	31.2	Very low	32.6	Very low	183 Å²	183	149.9 Å²	149.9	72%	0.718	81%	0.812	S	S	*	*			trans	-79.7	117.5	168.7	-98.1	-95.5	0	0	0	109.4	L6 F10	L6-Y8 HydrophobicContact CD2-CD2 4.3Å; L6-Y8 HydrophobicContact CD2-CE2 3.9Å; Y8-F10 HydrophobicContact CD1-CE2 4.16Å
9	C	30.2	Very low	32.7	Very low	114 Å²	114	146.4 Å²	146.4	77%	0.77	81%	0.805	S	S	*	*			trans	-86.1	111.7	163.2	-74.3	0	0	0	0	109.1
10	F	31.7	Very low	32.7	Very low	174 Å²	174	148.8 Å²	148.8	76%	0.763	81%	0.81	S	S	*	*			trans	-93.6	113.6	163.4	-98.6	-87.2	0	0	0	109.3	Y8 L12	Y8-F10 HydrophobicContact CD1-CE2 4.16Å; F10-L12 PolarHBondContact O-N 3.45Å
11	F	32.2	Very low	33	Very low	199 Å²	199	148.2 Å²	148.2	87%	0.873	81%	0.812	S	S	*	*			trans	-69.3	116.2	163.2	-92.6	-96	0	0	0	108.8
12	L	33.3	Very low	33.2	Very low	155 Å²	155	140 Å²	140	81%	0.812	79%	0.788	S	S	*	*			trans	-114	104.5	162.3	-93.1	155.6	0	0	0	107.3	F10 T14	F10-L12 PolarHBondContact O-N 3.45Å; L12-T14 PolarHBondContact O-N 3.15Å
13	A	32.3	Very low	34	Very low	98 Å²	98	133.5 Å²	133.5	81%	0.81	78%	0.779	S	S	*	*			trans	-64.6	111.2	170.3	0	0	0	0	0	108.7	V15	A13-V15 PolarHBondContact O-N 3.09Å
14	T	32.3	Very low	35.7	Very low	131 Å²	131	137.7 Å²	137.7	80%	0.804	79%	0.788	S	S	*	*			trans	-82	111.1	168.2	41.8	0	0	0	0	108.5	L12 P16	L12-T14 PolarHBondContact O-N 3.15Å; T14-P16 WeakPolarHBondContact O-CD 3.5Å
15	V	34.3	Very low	38	Very low	131 Å²	131	138.6 Å²	138.6	79%	0.794	78%	0.783	S	S	*	*			trans	-64.8	121.6	162.6	179.3	0	0	0	0	106.6	A13 A17	A13-V15 PolarHBondContact O-N 3.09Å; V15-A17 PolarHBondContact O-N 3.49Å; V15-A17 VanDerWaalsContact O-N 3.09Å
16	P	33.2	Very low	40.8	Very low	113 Å²	113	136.9 Å²	136.9	73%	0.734	77%	0.77	S	S	*	*			trans	-70.6	111.7	173.1	15.5	-7.4	0	0	0	107.5	T14 L18	T14-P16 WeakPolarHBondContact O-CD 3.5Å; P16-L18 PolarHBondContact O-N 3.21Å; P16-L18 VanDerWaalsContact O-N 3.15Å
17	A	33.4	Very low	43.8	Very low	94 Å²	94	131.6 Å²	131.6	78%	0.777	74%	0.742	S	S	*	*			trans	-54.8	119.2	160.3	0	0	0	0	0	107	V15 A19	V15-A17 PolarHBondContact O-N 3.49Å; V15-A17 VanDerWaalsContact O-N 3.09Å; A17-A19 VanDerWaalsContact C-N 3.26Å; A17-A19 PolarHBondContact O-N 3.04Å
18	L	31.9	Very low	46.9	Very low	171 Å²	171	124.5 Å²	124.5	90%	0.895	71%	0.706	S	S	*	*			trans	-57	94.7	167.5	-84	143.6	0	0	0	107.5	P16 E20	P16-L18 PolarHBondContact O-N 3.21Å; P16-L18 VanDerWaalsContact O-N 3.15Å; L18-E20 PolarHBondContact O-N 3.16Å; L18-E20 VanDerWaalsContact O-N 3.16Å
19	A	34	Very low	50	Low	83 Å²	83	116.3 Å²	116.3	69%	0.686	68%	0.676	S	S	*	*			trans	-62.4	111.3	157.1	0	0	0	0	0	105.7	A17 T21	A17-A19 VanDerWaalsContact C-N 3.26Å; A17-A19 PolarHBondContact O-N 3.04Å; A19-T21 VanDerWaalsContact C-N 3.31Å; A19-T21 PolarHBondContact O-N 2.82Å
20	E	33.6	Very low	53.2	Low	193 Å²	193	119 Å²	119	90%	0.902	68%	0.677	S	S	*	*			trans	-55.2	103.1	162.6	-76.6	-177.2	159.2	0	0	107.1	L18 G22	L18-E20 PolarHBondContact O-N 3.16Å; L18-E20 VanDerWaalsContact O-N 3.16Å; E20-G22 PolarHBondContact O-N 3.01Å
21	T	37.5	Very low	56.3	Low	137 Å²	137	115.4 Å²	115.4	84%	0.84	66%	0.661	S	S	*	*			trans	-68.3	81.9	164	52	0	0	0	0	106.6	A19 G23	A19-T21 VanDerWaalsContact C-N 3.31Å; A19-T21 PolarHBondContact O-N 2.82Å; T21-G23 PolarHBondContact O-N 2.88Å
22	G	39.8	Very low	59.5	Low	68 Å²	68	106.1 Å²	106.1	70%	0.701	62%	0.621	S	S	*	*			trans	-57.7	110.6	165.5	0	0	0	0	0	107.1	E20 E24	E20-G22 PolarHBondContact O-N 3.01Å; G22-E24 PolarHBondContact O-N 3.28Å
23	G	48.8	Very low	62.6	Low	68 Å²	68	102.3 Å²	102.3	70%	0.701	60%	0.599	S	S	*	*			trans	-50	131.6	176.7	0	0	0	0	0	109.4	T21 R25	T21-G23 PolarHBondContact O-N 2.88Å; G23-R25 PolarHBondContact O-N 2.83Å
24	E	64.6	Low	65.8	Low	192 Å²	192	98.6 Å²	98.6	90%	0.897	57%	0.565	S	S	*	*			trans	-48.8	117.9	178.8	-77.1	-176.2	155.4	0	0	108.9	G22 Q26	G22-E24 PolarHBondContact O-N 3.28Å; E24-Q26 PolarHBondContact O-N 2.85Å
25	R	85.3	Confident	68.9	Low	148 Å²	148	97.5 Å²	97.5	56%	0.558	55%	0.546	S	S	*	.			trans	-60.1	113.3	178	-73.8	-170.7	-176.7	-179.6	1.7	107.9	G23 D56 F62	G23-R25 PolarHBondContact O-N 2.83Å; R25-D56 HydrophobicContact CB-CB 4.31Å; R25-F62 HydrophobicContact CB-CE1 4.14Å; R25-F62 HydrophobicContact CB-CZ 3.93Å; R25-F62 WeakPolarHBondContact O-CZ 3.26Å
26	Q	92.3	Very high	71.9	Confident	134 Å²	134	92.2 Å²	92.2	63%	0.626	52%	0.518	S	S	*	.			trans	-81	124.8	-179.8	-169.5	175.2	9.4	0	0	109.9	E24 D56 T57	E24-Q26 PolarHBondContact O-N 2.85Å; Q26-D56 CarbonylContact O-C 3.46Å; Q26-D56 VanDerWaalsContact O-CA 3.22Å; Q26-D56 WeakPolarHBondContact O-CA 3.39Å; Q26-D56 WeakPolarHBondContact O-CB 3.32Å; Q26-T57 HydrophobicContact CB-CG2 4.13Å; Q26-T57 HydrophobicContact CG-CG2 4.31Å; Q26-T57 PolarHBondContact O-N 3.15Å
27	L	96.1	Very high	74.9	Confident	14 Å²	14	87.8 Å²	87.8	7%	0.073	49%	0.489	C	S	.	.	B	Isolated β-bridge	trans	-65.3	134.3	175.6	-172.6	152.7	0	0	0	110.5	P29 A54 F62 P66 V70 F71 F116	L27-P29 HydrophobicContact CD2-CG 4.33Å; L27-A54 HydrophobicContact CD1-CB 3.83Å; L27-A54 HydrophobicContact CG-CB 4.48Å; L27-F62 HydrophobicContact CB-CE2 4.33Å; L27-F62 HydrophobicContact CB-CZ 4.38Å; L27-P66 HydrophobicContact CD1-CB 4.15Å; L27-P66 HydrophobicContact CD1-CG 4Å; L27-V70 HydrophobicContact CD1-CG2 4.49Å; L27-F71 HydrophobicContact CD1-CE1 4.35Å; L27-F71 HydrophobicContact CD1-CZ 3.85Å; L27-F71 HydrophobicContact CD2-CE1 4.27Å; L27-F71 HydrophobicContact CD2-CZ 4.4Å; L27-F116 HydrophobicContact CB-CE1 4.45Å; L27-F116 HydrophobicContact CB-CE2 4.38Å; L27-F116 HydrophobicContact CB-CZ 4.1Å; L27-F116 HydrophobicContact CD1-CD2 4.31Å; L27-F116 HydrophobicContact CD1-CE2 4.23Å; L27-F116 HydrophobicContact CD2-CB 4.28Å; L27-F116 HydrophobicContact CD2-CD1 3.85Å; L27-F116 HydrophobicContact CD2-CD2 3.89Å; L27-F116 HydrophobicContact CD2-CE1 4.06Å; L27-F116 HydrophobicContact CD2-CE2 4.14Å; L27-F116 HydrophobicContact CD2-CG 3.73Å; L27-F116 HydrophobicContact CD2-CZ 4.21Å
28	S	97.1	Very high	78	Confident	14 Å²	14	83.3 Å²	83.3	10%	0.098	45%	0.452	C	S	.	.			trans	-106.6	112.1	174.8	177.4	0	0	0	0	110.5	E30 K31 S32 V55	S28-E30 VanDerWaalsContact C-N 3.31Å; S28-E30 PolarHBondContact O-N 2.88Å; S28-K31 PolarHBondContact O-N 2.73Å; S28-K31 WeakPolarHBondContact OG-CG 3.49Å; S28-K31 PolarHBondContact OG-N 3.14Å; S28-S32 WeakPolarHBondContact O-CB 3.3Å; S28-S32 PolarHBondContact O-N 3.21Å; S28-S32 VanDerWaalsContact O-N 3.07Å; S28-S32 PolarHBondContact O-OG 2.99Å; S28-V55 PolarHBondContact N-O 2.8Å
29	P	96.6	Very high	81.1	Confident	12 Å²	12	76.6 Å²	76.6	8%	0.078	42%	0.417	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-40.1	176.7	-27	37.3	0	0	0	112.9	L27 F116 Q119 H120 V121 A122	L27-P29 HydrophobicContact CD2-CG 4.33Å; P29-F116 HydrophobicContact CG-CB 4.06Å; P29-F116 HydrophobicContact CG-CD1 3.59Å; P29-F116 HydrophobicContact CG-CE1 4.48Å; P29-F116 HydrophobicContact CG-CG 4.22Å; P29-Q119 HydrophobicContact CB-CB 4.49Å; P29-Q119 HydrophobicContact CG-CB 4.37Å; P29-H120 WeakPolarHBondContact CB-O 3.19Å; P29-V121 HydrophobicContact CB-CG2 4.22Å; P29-V121 WeakPolarHBondContact O-CA 3.47Å; P29-A122 PolarHBondContact O-N 3.44Å
30	E	97.3	Very high	84	Confident	169 Å²	169	75.8 Å²	75.8	79%	0.79	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-40.7	-178.1	-174.8	-177.1	-179.5	0	0	112.4	S28	S28-E30 VanDerWaalsContact C-N 3.31Å; S28-E30 PolarHBondContact O-N 2.88Å
31	K	97.6	Very high	87	Confident	99 Å²	99	67.2 Å²	67.2	43%	0.43	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-16.4	-179.4	-63.8	-175.7	173.6	-173.1	0	113.9	S28 V55 T57	S28-K31 PolarHBondContact O-N 2.73Å; S28-K31 WeakPolarHBondContact OG-CG 3.49Å; S28-K31 PolarHBondContact OG-N 3.14Å; K31-V55 HydrophobicContact CB-CB 4.17Å; K31-V55 HydrophobicContact CB-CG1 3.76Å; K31-V55 WeakPolarHBondContact O-CB 3.04Å; K31-V55 WeakPolarHBondContact O-CG2 3.32Å; K31-T57 PolarHBondContact NZ-O 3.37Å
32	S	98.3	Very high	89.6	Confident	4 Å²	4	64 Å²	64	3%	0.028	34%	0.338	C	S	.	.			trans	-63.9	150.5	176.4	-66.5	0	0	0	0	110.7	S28 Q53 V55 A122	S28-S32 WeakPolarHBondContact O-CB 3.3Å; S28-S32 PolarHBondContact O-N 3.21Å; S28-S32 VanDerWaalsContact O-N 3.07Å; S28-S32 PolarHBondContact O-OG 2.99Å; S32-Q53 WeakPolarHBondContact CA-O 3.3Å; S32-Q53 VanDerWaalsContact CB-O 3.32Å; S32-Q53 WeakPolarHBondContact CB-O 3.43Å; S32-V55 PolarHBondContact OG-N 2.9Å; S32-A122 VanDerWaalsContact O-CB 3.3Å; S32-A122 WeakPolarHBondContact O-CB 3.46Å
33	E	98.5	Very high	92.3	Very high	75 Å²	75	60.8 Å²	60.8	35%	0.35	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	144.9	-175.2	-54	168.4	175.7	0	0	110.5	W35 I52 Q53 K61	E33-W35 HydrophobicContact CB-CE3 4.11Å; E33-W35 HydrophobicContact CB-CZ3 4Å; E33-I52 CarbonylContact O-C 3.52Å; E33-I52 WeakPolarHBondContact O-CA 3.47Å; E33-Q53 HydrophobicContact CB-CB 4.15Å; E33-Q53 PolarHBondContact N-O 2.92Å; E33-Q53 PolarHBondContact O-N 3.45Å; E33-K61 VanDerWaalsContact OE1-CE 3.26Å; E33-K61 WeakPolarHBondContact OE1-CE 3.42Å; E33-K61 IonicContact OE1-NZ 3.66Å; E33-K61 PolarHBondContact OE1-NZ 2.86Å; E33-K61 IonicContact OE2-NZ 2.62Å; E33-K61 PolarHBondContact OE2-NZ 2.95Å
34	I	98.7	Very high	94.5	Very high	20 Å²	20	57.8 Å²	57.8	10%	0.103	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	129.8	173.1	-52.3	-179.4	0	0	0	109.1	L39 F50 Y51 I52 V114 V121 A122 Y126	I34-L39 HydrophobicContact CG2-CD1 3.72Å; I34-F50 HydrophobicContact CG2-CD2 3.44Å; I34-F50 VanDerWaalsContact CG2-CD2 3.44Å; I34-F50 HydrophobicContact CG2-CE2 3.68Å; I34-F50 HydrophobicContact CG2-CG 4.48Å; I34-Y51 VanDerWaalsContact CA-O 3.26Å; I34-Y51 WeakPolarHBondContact CA-O 3.48Å; I34-Y51 VanDerWaalsContact CG2-O 3.25Å; I34-Y51 WeakPolarHBondContact CG2-O 3.47Å; I34-I52 HydrophobicContact CD1-CG1 4.35Å; I34-I52 HydrophobicContact CG1-CB 4.5Å; I34-I52 HydrophobicContact CG1-CG1 4.14Å; I34-I52 HydrophobicContact CG1-CG2 4.2Å; I34-I52 HydrophobicContact CG2-CG1 4.49Å; I34-V114 HydrophobicContact CD1-CB 3.82Å; I34-V114 HydrophobicContact CD1-CG1 3.86Å; I34-V114 HydrophobicContact CD1-CG2 3.94Å; I34-V121 HydrophobicContact CD1-CB 4.1Å; I34-V121 HydrophobicContact CD1-CG1 3.91Å; I34-V121 HydrophobicContact CG1-CG1 4.31Å; I34-A122 HydrophobicContact CB-CB 4.39Å; I34-A122 HydrophobicContact CD1-CB 4.06Å; I34-A122 HydrophobicContact CG1-CB 3.88Å; I34-Y126 HydrophobicContact CB-CE2 4.33Å; I34-Y126 WeakPolarHBondContact CB-OH 3.45Å; I34-Y126 HydrophobicContact CD1-CE2 3.84Å; I34-Y126 HydrophobicContact CG2-CE2 4.2Å
35	W	98.1	Very high	96	Very high	109 Å²	109	49 Å²	49	41%	0.413	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	162.4	179.9	71.5	100.4	0	0	0	110.9	E33 F50 Y51 Q53	E33-W35 HydrophobicContact CB-CE3 4.11Å; E33-W35 HydrophobicContact CB-CZ3 4Å; W35-F50 CarbonylContact O-C 3.59Å; W35-F50 WeakPolarHBondContact O-CB 3.5Å; W35-Y51 AromaticContact CE2-CD2 3.94Å; W35-Y51 HydrophobicContact CZ2-CD2 4.34Å; W35-Y51 HydrophobicContact CZ2-CG 4.05Å; W35-Y51 PolarHBondContact N-O 2.99Å; W35-Y51 AromaticContact NE1-CD2 3.59Å; W35-Y51 PolarHBondContact O-N 2.97Å; W35-Q53 HydrophobicContact CH2-CB 3.83Å; W35-Q53 HydrophobicContact CZ3-CB 3.58Å
36	G	97.3	Very high	96.5	Very high	20 Å²	20	42.1 Å²	42.1	21%	0.206	21%	0.207	C	C	.	.	S	Bend	trans	139.7	167.9	170.9	0	0	0	0	0	113.7	G38 L39	G36-G38 VanDerWaalsContact C-N 3.27Å; G36-G38 PolarHBondContact O-N 3.01Å; G36-L39 PolarHBondContact O-N 3.07Å
37	P	96.9	Very high	96.8	Very high	19 Å²	19	36 Å²	36	12%	0.123	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-65.6	-30.2	-171.3	26.2	-34.6	0	0	0	112.7	L39 K40 V43 Y49	P37-L39 PolarHBondContact O-N 3.31Å; P37-L39 VanDerWaalsContact O-N 3.09Å; P37-K40 PolarHBondContact O-N 2.71Å; P37-K40 VanDerWaalsContact O-N 3.08Å; P37-V43 HydrophobicContact CB-CG1 4.08Å; P37-V43 HydrophobicContact CB-CG2 4.47Å; P37-Y49 WeakPolarHBondContact CD-O 3.22Å; P37-Y49 HydrophobicContact CG-CD1 4.34Å; P37-Y49 HydrophobicContact CG-CD2 4.38Å; P37-Y49 HydrophobicContact CG-CE1 3.81Å; P37-Y49 HydrophobicContact CG-CE2 3.84Å
38	G	97.3	Very high	96.9	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-68.6	-1.2	176.8	0	0	0	0	0	115.2	G36 Y49 Y101	G36-G38 VanDerWaalsContact C-N 3.27Å; G36-G38 PolarHBondContact O-N 3.01Å; G38-Y49 VanDerWaalsContact CA-O 3.24Å; G38-Y49 WeakPolarHBondContact CA-O 3.46Å; G38-Y49 PolarHBondContact N-O 3.49Å; G38-Y101 PolarHBondContact O-OH 3.43Å
39	L	97.3	Very high	96.9	Very high	30 Å²	30	35.1 Å²	35.1	16%	0.157	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-97.7	1.3	170.9	-62.5	178.6	0	0	0	113.2	I34 G36 P37 F50 V112 Y126 L128	I34-L39 HydrophobicContact CG2-CD1 3.72Å; G36-L39 PolarHBondContact O-N 3.07Å; P37-L39 PolarHBondContact O-N 3.31Å; P37-L39 VanDerWaalsContact O-N 3.09Å; L39-F50 HydrophobicContact CD1-CB 4.3Å; L39-F50 HydrophobicContact CD1-CD2 4.49Å; L39-F50 HydrophobicContact CD1-CG 4.39Å; L39-F50 HydrophobicContact CD2-CB 4.43Å; L39-F50 HydrophobicContact CD2-CD1 3.83Å; L39-F50 HydrophobicContact CD2-CD2 4.36Å; L39-F50 HydrophobicContact CD2-CE1 4.09Å; L39-F50 HydrophobicContact CD2-CG 3.97Å; L39-F50 HydrophobicContact CD2-CZ 4.44Å; L39-F50 HydrophobicContact CG-CB 3.89Å; L39-F50 HydrophobicContact CG-CD1 4.22Å; L39-F50 HydrophobicContact CG-CD2 4.48Å; L39-F50 HydrophobicContact CG-CG 3.97Å; L39-V112 HydrophobicContact CD2-CB 4.48Å; L39-V112 HydrophobicContact CD2-CG1 4.33Å; L39-Y126 HydrophobicContact CD1-CD1 4.03Å; L39-Y126 HydrophobicContact CD1-CE1 4.03Å; L39-Y126 HydrophobicContact CD1-CG 4.37Å; L39-Y126 HydrophobicContact CD2-CD1 4.38Å; L39-Y126 HydrophobicContact CD2-CD2 4.21Å; L39-Y126 HydrophobicContact CD2-CG 3.97Å; L39-L128 WeakPolarHBondContact O-CG 3.26Å
40	K	95.9	Very high	97	Very high	66 Å²	66	34.5 Å²	34.5	29%	0.287	17%	0.169	S	C	.	.			trans	-101.4	134.9	176.8	-59.2	-175.1	-176.7	-175.3	0	110.5	P37 V43 R48 E150 N152	P37-K40 PolarHBondContact O-N 2.71Å; P37-K40 VanDerWaalsContact O-N 3.08Å; K40-V43 HydrophobicContact CB-CB 4.23Å; K40-V43 HydrophobicContact CB-CG2 3.84Å; K40-V43 HydrophobicContact CD-CG2 3.84Å; K40-V43 HydrophobicContact CG-CG2 4.41Å; K40-R48 PolarHBondContact O-NH1 3.18Å; K40-E150 PolarHBondContact NZ-O 3.19Å; K40-N152 PolarHBondContact NZ-OD1 3.02Å
41	A	95.4	Very high	97.1	Very high	13 Å²	13	27.5 Å²	27.5	11%	0.107	14%	0.136	C	C	.	.	S	Bend	trans	-64.6	-45.5	178.6	0	0	0	0	0	111.7	V43 R48 L128 K129 V132	A41-V43 PolarHBondContact O-N 3.23Å; A41-R48 PolarHBondContact O-NH1 2.96Å; A41-R48 PolarHBondContact O-NH2 2.91Å; A41-L128 HydrophobicContact CB-CB 4.13Å; A41-K129 WeakPolarHBondContact CB-O 3.47Å; A41-V132 HydrophobicContact CB-CG2 4.19Å
42	D	93.5	Very high	97.1	Very high	69 Å²	69	22.8 Å²	22.8	37%	0.369	12%	0.115	S	C	.	.	S	Bend	trans	-75.1	-20.6	-171.9	-72.6	-61.4	0	0	0	115.4	V44 E150 R495	D42-V44 PolarHBondContact O-N 3.45Å; D42-E150 HydrophobicContact CB-CB 4.37Å; D42-E150 HydrophobicContact CB-CG 3.94Å; D42-R495 IonicContact OD1-NH2 3.52Å; D42-R495 PolarHBondContact OD1-NH2 2.8Å
43	V	95.3	Very high	97.2	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.006	12%	0.119	C	C	.	.			trans	-68.2	122.1	171	168.5	0	0	0	0	109.2	P37 K40 A41 L45 R48 E150 M151	P37-V43 HydrophobicContact CB-CG1 4.08Å; P37-V43 HydrophobicContact CB-CG2 4.47Å; K40-V43 HydrophobicContact CB-CB 4.23Å; K40-V43 HydrophobicContact CB-CG2 3.84Å; K40-V43 HydrophobicContact CD-CG2 3.84Å; K40-V43 HydrophobicContact CG-CG2 4.41Å; A41-V43 PolarHBondContact O-N 3.23Å; V43-L45 HydrophobicContact CG1-CD1 4.05Å; V43-L45 HydrophobicContact CG1-CG 4Å; V43-R48 PolarHBondContact O-NH1 3.34Å; V43-R48 PolarHBondContact O-NH2 3.42Å; V43-E150 WeakPolarHBondContact CG2-O 3.42Å; V43-M151 HydrophobicContact CB-SD 4.28Å; V43-M151 HydrophobicContact CG1-SD 3.86Å; V43-M151 HydrophobicContact CG2-SD 4.19Å
44	V	95.1	Very high	97.1	Very high	6 Å²	6	20.1 Å²	20.1	4%	0.036	10%	0.102	C	C	.	.			trans	-116.8	111.8	176.2	-174.7	0	0	0	0	109.1	D42 K224	D42-V44 PolarHBondContact O-N 3.45Å; V44-K224 HydrophobicContact CB-CD 4.36Å; V44-K224 HydrophobicContact CB-CG 4.07Å; V44-K224 HydrophobicContact CG1-CD 4.35Å; V44-K224 HydrophobicContact CG1-CG 3.98Å; V44-K224 WeakPolarHBondContact O-CD 3.2Å; V44-K224 WeakPolarHBondContact O-CE 3.36Å
45	L	96.9	Very high	97.1	Very high	7 Å²	7	19.4 Å²	19.4	4%	0.037	10%	0.099	C	C	.	.			trans	-127.6	151.3	176.6	-72.1	173.1	0	0	0	110.2	V43 A47 R48 Y49 M151 D450 F453	V43-L45 HydrophobicContact CG1-CD1 4.05Å; V43-L45 HydrophobicContact CG1-CG 4Å; L45-A47 VanDerWaalsContact C-N 3.34Å; L45-A47 WeakPolarHBondContact CB-O 3.39Å; L45-A47 PolarHBondContact O-N 2.91Å; L45-R48 HydrophobicContact CB-CG 4.4Å; L45-Y49 HydrophobicContact CD1-CD1 4.23Å; L45-Y49 HydrophobicContact CD1-CE1 3.94Å; L45-M151 HydrophobicContact CD2-CE 3.86Å; L45-M151 HydrophobicContact CG-CE 4.35Å; L45-D450 HydrophobicContact CD1-CB 4.29Å; L45-D450 HydrophobicContact CD2-CB 4.49Å; L45-F453 HydrophobicContact CD2-CD2 3.57Å; L45-F453 HydrophobicContact CD2-CE2 3.97Å; L45-F453 HydrophobicContact CD2-CG 4.39Å
46	P	96	Very high	97	Very high	3 Å²	3	14.4 Å²	14.4	2%	0.019	8%	0.08	C	C	.	.	S	Bend	trans	-53.8	-48.9	174.6	-22.7	28.2	0	0	0	112.9	R102 E135 L277 F453	P46-R102 WeakPolarHBondContact O-CG 3.44Å; P46-E135 HydrophobicContact CB-CG 4.17Å; P46-E135 WeakPolarHBondContact CD-OE2 3.39Å; P46-E135 HydrophobicContact CG-CG 4.37Å; P46-E135 WeakPolarHBondContact CG-OE2 3.42Å; P46-L277 VanDerWaalsContact CB-O 3.26Å; P46-L277 WeakPolarHBondContact CB-O 3.44Å; P46-L277 HydrophobicContact CG-CD2 4.05Å; P46-F453 HydrophobicContact CG-CE2 3.91Å; P46-F453 HydrophobicContact CG-CZ 4.01Å
47	A	97.1	Very high	97	Very high	7 Å²	7	16.9 Å²	16.9	6%	0.058	9%	0.091	C	C	.	.	S	Bend	trans	-119	120.3	164.2	0	0	0	0	0	108.3	L45 T279 M280	L45-A47 VanDerWaalsContact C-N 3.34Å; L45-A47 WeakPolarHBondContact CB-O 3.39Å; L45-A47 PolarHBondContact O-N 2.91Å; A47-T279 HydrophobicContact CB-CG2 3.57Å; A47-M280 HydrophobicContact CB-CG 4.4Å; A47-M280 HydrophobicContact CB-SD 4.19Å
48	R	97.9	Very high	96.9	Very high	3 Å²	3	20.3 Å²	20.3	1%	0.011	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	147.1	174.2	-67.1	-178.7	-177.4	-129.3	2.8	108.9	K40 A41 V43 L45 R100 Y101 V132 Y133	K40-R48 PolarHBondContact O-NH1 3.18Å; A41-R48 PolarHBondContact O-NH1 2.96Å; A41-R48 PolarHBondContact O-NH2 2.91Å; V43-R48 PolarHBondContact O-NH1 3.34Å; V43-R48 PolarHBondContact O-NH2 3.42Å; L45-R48 HydrophobicContact CB-CG 4.4Å; R48-R100 CarbonylContact O-C 3.59Å; R48-R100 VanDerWaalsContact O-CA 3.27Å; R48-R100 WeakPolarHBondContact O-CA 3.31Å; R48-Y101 HydrophobicContact CB-CD1 4.08Å; R48-Y101 HydrophobicContact CB-CD2 4.27Å; R48-Y101 HydrophobicContact CB-CE1 3.58Å; R48-Y101 HydrophobicContact CB-CE2 3.83Å; R48-Y101 HydrophobicContact CB-CG 4.4Å; R48-Y101 VanDerWaalsContact CB-CZ 3.45Å; R48-Y101 WeakPolarHBondContact CD-OH 3.33Å; R48-Y101 HydrophobicContact CG-CE2 4.27Å; R48-Y101 PolarHBondContact N-O 3.22Å; R48-Y101 PolarHBondContact O-N 2.9Å; R48-V132 VanDerWaalsContact CZ-CG1 3.49Å; R48-Y133 PolarHBondContact NH2-O 2.62Å
49	Y	98.6	Very high	96.8	Very high	5 Å²	5	22.2 Å²	22.2	2%	0.02	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	153.4	-177.7	71.5	-87.9	0	0	0	112.7	P37 G38 L45 Y51 I98 V99 M288 M448 D450	P37-Y49 WeakPolarHBondContact CD-O 3.22Å; P37-Y49 HydrophobicContact CG-CD1 4.34Å; P37-Y49 HydrophobicContact CG-CD2 4.38Å; P37-Y49 HydrophobicContact CG-CE1 3.81Å; P37-Y49 HydrophobicContact CG-CE2 3.84Å; G38-Y49 VanDerWaalsContact CA-O 3.24Å; G38-Y49 WeakPolarHBondContact CA-O 3.46Å; G38-Y49 PolarHBondContact N-O 3.49Å; L45-Y49 HydrophobicContact CD1-CD1 4.23Å; L45-Y49 HydrophobicContact CD1-CE1 3.94Å; Y49-Y51 HydrophobicContact CD2-CE2 4.15Å; Y49-Y51 AromaticContact CE2-CE2 3.75Å; Y49-Y51 HydrophobicContact CE2-CE2 3.75Å; Y49-Y51 AromaticContact CE2-CZ 3.71Å; Y49-Y51 WeakPolarHBondContact CE2-OH 3.4Å; Y49-I98 HydrophobicContact CD2-CG2 4.5Å; Y49-V99 CarbonylContact C-O 3.46Å; Y49-V99 WeakPolarHBondContact CA-O 3.39Å; Y49-V99 WeakPolarHBondContact CB-O 3.46Å; Y49-M288 VanDerWaalsContact CB-SD 3.54Å; Y49-M288 HydrophobicContact CD1-CE 4.11Å; Y49-M288 HydrophobicContact CD1-SD 4.11Å; Y49-M288 HydrophobicContact CD2-SD 4.37Å; Y49-M288 HydrophobicContact CG-CE 4.36Å; Y49-M288 HydrophobicContact CG-SD 3.75Å; Y49-M448 HydrophobicContact CD2-CE 4.46Å; Y49-M448 HydrophobicContact CE2-CE 4.01Å; Y49-M448 VanDerWaalsContact OH-CB 3.3Å; Y49-M448 WeakPolarHBondContact OH-CB 3.41Å; Y49-D450 PolarHBondContact OH-OD1 3.03Å; Y49-D450 PolarHBondContact OH-OD2 2.81Å
50	F	98.8	Very high	96.8	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	169.4	174	65.9	-93.8	0	0	0	109.8	I34 W35 L39 I52 V73 V99 Y101 V112 V114	I34-F50 HydrophobicContact CG2-CD2 3.44Å; I34-F50 VanDerWaalsContact CG2-CD2 3.44Å; I34-F50 HydrophobicContact CG2-CE2 3.68Å; I34-F50 HydrophobicContact CG2-CG 4.48Å; W35-F50 CarbonylContact O-C 3.59Å; W35-F50 WeakPolarHBondContact O-CB 3.5Å; L39-F50 HydrophobicContact CD1-CB 4.3Å; L39-F50 HydrophobicContact CD1-CD2 4.49Å; L39-F50 HydrophobicContact CD1-CG 4.39Å; L39-F50 HydrophobicContact CD2-CB 4.43Å; L39-F50 HydrophobicContact CD2-CD1 3.83Å; L39-F50 HydrophobicContact CD2-CD2 4.36Å; L39-F50 HydrophobicContact CD2-CE1 4.09Å; L39-F50 HydrophobicContact CD2-CG 3.97Å; L39-F50 HydrophobicContact CD2-CZ 4.44Å; L39-F50 HydrophobicContact CG-CB 3.89Å; L39-F50 HydrophobicContact CG-CD1 4.22Å; L39-F50 HydrophobicContact CG-CD2 4.48Å; L39-F50 HydrophobicContact CG-CG 3.97Å; F50-I52 HydrophobicContact CE2-CD1 4.47Å; F50-I52 HydrophobicContact CE2-CG1 4.14Å; F50-V73 HydrophobicContact CZ-CG1 4.36Å; F50-V99 HydrophobicContact CD1-CB 4Å; F50-V99 HydrophobicContact CD1-CG1 4.22Å; F50-V99 HydrophobicContact CD2-CB 3.99Å; F50-V99 HydrophobicContact CD2-CG2 4.15Å; F50-V99 HydrophobicContact CE1-CB 3.6Å; F50-V99 HydrophobicContact CE1-CG1 3.44Å; F50-V99 VanDerWaalsContact CE1-CG1 3.44Å; F50-V99 HydrophobicContact CE1-CG2 4.35Å; F50-V99 HydrophobicContact CE2-CB 3.6Å; F50-V99 HydrophobicContact CE2-CG1 4.15Å; F50-V99 HydrophobicContact CE2-CG2 3.5Å; F50-V99 HydrophobicContact CG-CB 4.19Å; F50-V99 HydrophobicContact CZ-CB 3.41Å; F50-V99 VanDerWaalsContact CZ-CB 3.41Å; F50-V99 HydrophobicContact CZ-CG1 3.42Å; F50-V99 VanDerWaalsContact CZ-CG1 3.42Å; F50-V99 HydrophobicContact CZ-CG2 3.64Å; F50-V99 PolarHBondContact N-O 3.21Å; F50-V99 PolarHBondContact O-N 2.92Å; F50-Y101 HydrophobicContact CD1-CE1 4.33Å; F50-Y101 HydrophobicContact CE1-CD1 4.5Å; F50-Y101 HydrophobicContact CE1-CE1 4.39Å; F50-V112 HydrophobicContact CE1-CG1 3.73Å; F50-V112 HydrophobicContact CZ-CG1 3.71Å; F50-V114 HydrophobicContact CE2-CG2 3.92Å; F50-V114 HydrophobicContact CZ-CG2 3.85Å
51	Y	98.7	Very high	96.9	Very high	22 Å²	22	26.4 Å²	26.4	9%	0.086	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	151.1	-175.1	-56.7	-82.3	0	0	0	111.3	I34 W35 Y49 F97 I98	I34-Y51 VanDerWaalsContact CA-O 3.26Å; I34-Y51 WeakPolarHBondContact CA-O 3.48Å; I34-Y51 VanDerWaalsContact CG2-O 3.25Å; I34-Y51 WeakPolarHBondContact CG2-O 3.47Å; W35-Y51 AromaticContact CE2-CD2 3.94Å; W35-Y51 HydrophobicContact CZ2-CD2 4.34Å; W35-Y51 HydrophobicContact CZ2-CG 4.05Å; W35-Y51 PolarHBondContact N-O 2.99Å; W35-Y51 AromaticContact NE1-CD2 3.59Å; W35-Y51 PolarHBondContact O-N 2.97Å; Y49-Y51 HydrophobicContact CD2-CE2 4.15Å; Y49-Y51 AromaticContact CE2-CE2 3.75Å; Y49-Y51 HydrophobicContact CE2-CE2 3.75Å; Y49-Y51 AromaticContact CE2-CZ 3.71Å; Y49-Y51 WeakPolarHBondContact CE2-OH 3.4Å; Y51-F97 CarbonylContact C-O 2.99Å; Y51-F97 VanDerWaalsContact CA-O 3.24Å; Y51-F97 WeakPolarHBondContact CA-O 3.47Å; Y51-I98 HydrophobicContact CD1-CG1 3.93Å; Y51-I98 HydrophobicContact CE1-CD1 4.18Å; Y51-I98 HydrophobicContact CE1-CG1 3.8Å
52	I	98.8	Very high	96.9	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	126.8	166.4	-51.7	166.1	0	0	0	107.4	E33 I34 F50 F71 S96 F97 V99 V114 V121	E33-I52 CarbonylContact O-C 3.52Å; E33-I52 WeakPolarHBondContact O-CA 3.47Å; I34-I52 HydrophobicContact CD1-CG1 4.35Å; I34-I52 HydrophobicContact CG1-CB 4.5Å; I34-I52 HydrophobicContact CG1-CG1 4.14Å; I34-I52 HydrophobicContact CG1-CG2 4.2Å; I34-I52 HydrophobicContact CG2-CG1 4.49Å; F50-I52 HydrophobicContact CE2-CD1 4.47Å; F50-I52 HydrophobicContact CE2-CG1 4.14Å; I52-F71 HydrophobicContact CB-CD2 4.37Å; I52-F71 HydrophobicContact CB-CE2 4.25Å; I52-F71 HydrophobicContact CD1-CB 3.98Å; I52-F71 HydrophobicContact CD1-CD2 3.92Å; I52-F71 HydrophobicContact CD1-CG 3.88Å; I52-F71 HydrophobicContact CG2-CD1 4.47Å; I52-F71 HydrophobicContact CG2-CD2 3.93Å; I52-F71 HydrophobicContact CG2-CE1 4.06Å; I52-F71 HydrophobicContact CG2-CE2 3.48Å; I52-F71 VanDerWaalsContact CG2-CE2 3.48Å; I52-F71 HydrophobicContact CG2-CG 4.41Å; I52-F71 HydrophobicContact CG2-CZ 3.54Å; I52-S96 CarbonylContact O-C 3.54Å; I52-S96 WeakPolarHBondContact O-CA 3.39Å; I52-F97 HydrophobicContact CB-CB 4.25Å; I52-F97 PolarHBondContact N-O 3.48Å; I52-F97 PolarHBondContact O-N 3.2Å; I52-V99 HydrophobicContact CD1-CG2 3.57Å; I52-V99 HydrophobicContact CG1-CG2 4.06Å; I52-V114 HydrophobicContact CD1-CG1 3.62Å; I52-V114 HydrophobicContact CG1-CG1 4.43Å; I52-V121 HydrophobicContact CG2-CG1 4.47Å
53	Q	98.4	Very high	97	Very high	22 Å²	22	28.9 Å²	28.9	10%	0.103	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	117.1	166.8	175.9	64.2	63.8	0	0	108.5	S32 E33 W35 V55 K61 F62 G95	S32-Q53 WeakPolarHBondContact CA-O 3.3Å; S32-Q53 VanDerWaalsContact CB-O 3.32Å; S32-Q53 WeakPolarHBondContact CB-O 3.43Å; E33-Q53 HydrophobicContact CB-CB 4.15Å; E33-Q53 PolarHBondContact N-O 2.92Å; E33-Q53 PolarHBondContact O-N 3.45Å; W35-Q53 HydrophobicContact CH2-CB 3.83Å; W35-Q53 HydrophobicContact CZ3-CB 3.58Å; Q53-V55 HydrophobicContact CG-CG2 4.18Å; Q53-K61 HydrophobicContact CG-CB 4.24Å; Q53-K61 HydrophobicContact CG-CD 3.81Å; Q53-K61 HydrophobicContact CG-CG 3.85Å; Q53-F62 PolarHBondContact NE2-O 3.31Å; Q53-G95 PolarHBondContact NE2-O 2.86Å
54	A	98.3	Very high	96.9	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	19%	0.194	C	C	.	.			trans	-71	135.3	172.1	0	0	0	0	0	109.9	L27 F62 P66 F71 G95	L27-A54 HydrophobicContact CD1-CB 3.83Å; L27-A54 HydrophobicContact CG-CB 4.48Å; A54-F62 HydrophobicContact CB-CB 4.14Å; A54-F62 HydrophobicContact CB-CD2 3.78Å; A54-F62 HydrophobicContact CB-CE2 4.47Å; A54-F62 HydrophobicContact CB-CG 4.1Å; A54-F62 PolarHBondContact O-N 3.19Å; A54-P66 HydrophobicContact CB-CG 3.9Å; A54-F71 HydrophobicContact CB-CE2 4.29Å; A54-F71 HydrophobicContact CB-CZ 4.2Å; A54-G95 WeakPolarHBondContact CB-O 2.91Å; A54-G95 PolarHBondContact N-O 3.16Å
55	V	97.9	Very high	96.9	Very high	5 Å²	5	33.6 Å²	33.6	3%	0.03	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-130.6	140.2	179.2	179.4	0	0	0	0	108.9	S28 K31 S32 Q53 G59 N60 K61	S28-V55 PolarHBondContact N-O 2.8Å; K31-V55 HydrophobicContact CB-CB 4.17Å; K31-V55 HydrophobicContact CB-CG1 3.76Å; K31-V55 WeakPolarHBondContact O-CB 3.04Å; K31-V55 WeakPolarHBondContact O-CG2 3.32Å; S32-V55 PolarHBondContact OG-N 2.9Å; Q53-V55 HydrophobicContact CG-CG2 4.18Å; V55-G59 VanDerWaalsContact CG1-C 3.48Å; V55-N60 WeakPolarHBondContact CA-O 3.4Å; V55-K61 HydrophobicContact CG2-CG 4.21Å
56	D	96.3	Very high	96.8	Very high	5 Å²	5	35.1 Å²	35.1	3%	0.027	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-80.3	171.7	178.6	72.1	20.3	0	0	0	112.8	R25 Q26 S58 G59 N60 F62	R25-D56 HydrophobicContact CB-CB 4.31Å; Q26-D56 CarbonylContact O-C 3.46Å; Q26-D56 VanDerWaalsContact O-CA 3.22Å; Q26-D56 WeakPolarHBondContact O-CA 3.39Å; Q26-D56 WeakPolarHBondContact O-CB 3.32Å; D56-S58 PolarHBondContact O-N 2.71Å; D56-S58 VanDerWaalsContact O-N 3.14Å; D56-S58 VanDerWaalsContact OD1-C 3.32Å; D56-S58 VanDerWaalsContact OD1-CA 3.26Å; D56-S58 WeakPolarHBondContact OD1-CA 3.44Å; D56-S58 VanDerWaalsContact OD1-CB 3.3Å; D56-S58 WeakPolarHBondContact OD1-CB 3.48Å; D56-S58 PolarHBondContact OD1-N 3.35Å; D56-G59 PolarHBondContact O-N 2.85Å; D56-G59 PolarHBondContact OD1-N 3.03Å; D56-N60 PolarHBondContact N-O 3.04Å; D56-N60 PolarHBondContact OD1-N 2.87Å; D56-N60 WeakPolarHBondContact OD2-CB 3.49Å; D56-N60 PolarHBondContact OD2-ND2 3.43Å; D56-F62 HydrophobicContact CB-CE2 3.85Å; D56-F62 HydrophobicContact CB-CZ 4.35Å
57	T	95.8	Very high	96.7	Very high	71 Å²	71	36.2 Å²	36.2	44%	0.436	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-18.3	176.8	51.3	0	0	0	0	113.9	Q26 K31	Q26-T57 HydrophobicContact CB-CG2 4.13Å; Q26-T57 HydrophobicContact CG-CG2 4.31Å; Q26-T57 PolarHBondContact O-N 3.15Å; K31-T57 PolarHBondContact NZ-O 3.37Å
58	S	95.8	Very high	96.2	Very high	92 Å²	92	41.7 Å²	41.7	64%	0.643	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-10.6	175	-60.2	0	0	0	0	113	D56 N60	D56-S58 PolarHBondContact O-N 2.71Å; D56-S58 VanDerWaalsContact O-N 3.14Å; D56-S58 VanDerWaalsContact OD1-C 3.32Å; D56-S58 VanDerWaalsContact OD1-CA 3.26Å; D56-S58 WeakPolarHBondContact OD1-CA 3.44Å; D56-S58 VanDerWaalsContact OD1-CB 3.3Å; D56-S58 WeakPolarHBondContact OD1-CB 3.48Å; D56-S58 PolarHBondContact OD1-N 3.35Å; S58-N60 WeakPolarHBondContact CB-ND2 3.34Å
59	G	95.3	Very high	95.9	Very high	40 Å²	40	50.3 Å²	50.3	41%	0.412	29%	0.289	S	S	.	.	S	Bend	trans	93.4	9.7	-177.8	0	0	0	0	0	114.3	V55 D56	V55-G59 VanDerWaalsContact CG1-C 3.48Å; D56-G59 PolarHBondContact O-N 2.85Å; D56-G59 PolarHBondContact OD1-N 3.03Å
60	N	97	Very high	95.8	Very high	83 Å²	83	51.3 Å²	51.3	44%	0.444	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-87.2	136.3	176.8	-49.7	-65.4	0	0	0	110.9	V55 D56 S58	V55-N60 WeakPolarHBondContact CA-O 3.4Å; D56-N60 PolarHBondContact N-O 3.04Å; D56-N60 PolarHBondContact OD1-N 2.87Å; D56-N60 WeakPolarHBondContact OD2-CB 3.49Å; D56-N60 PolarHBondContact OD2-ND2 3.43Å; S58-N60 WeakPolarHBondContact CB-ND2 3.34Å
61	K	97.8	Very high	95.7	Very high	100 Å²	100	51.8 Å²	51.8	44%	0.435	30%	0.297	S	S	.	.	B	Isolated β-bridge	trans	-66.9	134.4	172.8	-64.8	-174.5	-176.9	-152	0	109.7	E33 Q53 V55	E33-K61 VanDerWaalsContact OE1-CE 3.26Å; E33-K61 WeakPolarHBondContact OE1-CE 3.42Å; E33-K61 IonicContact OE1-NZ 3.66Å; E33-K61 PolarHBondContact OE1-NZ 2.86Å; E33-K61 IonicContact OE2-NZ 2.62Å; E33-K61 PolarHBondContact OE2-NZ 2.95Å; Q53-K61 HydrophobicContact CG-CB 4.24Å; Q53-K61 HydrophobicContact CG-CD 3.81Å; Q53-K61 HydrophobicContact CG-CG 3.85Å; V55-K61 HydrophobicContact CG2-CG 4.21Å
62	F	96.9	Very high	95.7	Very high	19 Å²	19	56.4 Å²	56.4	8%	0.083	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-63	139.7	167.5	-80.8	-103.9	0	0	0	109.3	R25 L27 Q53 A54 D56 P66 D94	R25-F62 HydrophobicContact CB-CE1 4.14Å; R25-F62 HydrophobicContact CB-CZ 3.93Å; R25-F62 WeakPolarHBondContact O-CZ 3.26Å; L27-F62 HydrophobicContact CB-CE2 4.33Å; L27-F62 HydrophobicContact CB-CZ 4.38Å; Q53-F62 PolarHBondContact NE2-O 3.31Å; A54-F62 HydrophobicContact CB-CB 4.14Å; A54-F62 HydrophobicContact CB-CD2 3.78Å; A54-F62 HydrophobicContact CB-CE2 4.47Å; A54-F62 HydrophobicContact CB-CG 4.1Å; A54-F62 PolarHBondContact O-N 3.19Å; D56-F62 HydrophobicContact CB-CE2 3.85Å; D56-F62 HydrophobicContact CB-CZ 4.35Å; F62-P66 HydrophobicContact CD1-CB 3.95Å; F62-P66 HydrophobicContact CD1-CG 4.45Å; F62-P66 HydrophobicContact CE1-CB 3.82Å; F62-P66 HydrophobicContact CZ-CB 4.32Å; F62-D94 VanDerWaalsContact O-O 3.07Å
63	T	94.4	Very high	95.7	Very high	115 Å²	115	57.8 Å²	57.8	71%	0.706	33%	0.328	S	S	*	.	S	Bend	trans	-111.6	2.7	174.4	56.6	0	0	0	0	112.2	D94	T63-D94 VanDerWaalsContact C-C 3.49Å; T63-D94 CarbonylContact C-O 3.43Å; T63-D94 WeakPolarHBondContact CA-O 3.32Å
64	S	93.9	Very high	95.7	Very high	69 Å²	69	63 Å²	63	48%	0.483	35%	0.351	S	S	.	.	S	Bend	trans	-141.8	154.9	177	60.1	0	0	0	0	108.7	P66 K93 G95	S64-P66 WeakPolarHBondContact O-CD 3.49Å; S64-K93 WeakPolarHBondContact CA-O 3.42Å; S64-G95 WeakPolarHBondContact O-CA 3.5Å
65	S	94.9	Very high	95.7	Very high	37 Å²	37	63.6 Å²	63.6	26%	0.259	35%	0.354	S	S	.	.			trans	-56.1	124.6	177.8	-180	0	0	0	0	111.7	G67 D91 K93	S65-G67 PolarHBondContact O-N 2.95Å; S65-G67 PolarHBondContact OG-N 3.38Å; S65-D91 WeakPolarHBondContact CB-OD2 3.09Å; S65-D91 VanDerWaalsContact OG-CG 3.25Å; S65-D91 PolarHBondContact OG-OD1 3.4Å; S65-D91 PolarHBondContact OG-OD2 2.96Å; S65-K93 PolarHBondContact N-O 3.37Å
66	P	94.3	Very high	95.6	Very high	39 Å²	39	64.1 Å²	64.1	25%	0.253	36%	0.358	S	S	.	.	S	Bend	trans	-76.4	1.5	167.3	32.6	-36.5	0	0	0	112.8	L27 A54 F62 S64 V70 F97	L27-P66 HydrophobicContact CD1-CB 4.15Å; L27-P66 HydrophobicContact CD1-CG 4Å; A54-P66 HydrophobicContact CB-CG 3.9Å; F62-P66 HydrophobicContact CD1-CB 3.95Å; F62-P66 HydrophobicContact CD1-CG 4.45Å; F62-P66 HydrophobicContact CE1-CB 3.82Å; F62-P66 HydrophobicContact CZ-CB 4.32Å; S64-P66 WeakPolarHBondContact O-CD 3.49Å; P66-V70 HydrophobicContact CB-CG1 4.47Å; P66-V70 HydrophobicContact CG-CG2 4.06Å; P66-V70 VanDerWaalsContact O-CG1 3.26Å; P66-V70 WeakPolarHBondContact O-CG1 3.48Å; P66-F97 HydrophobicContact CG-CE2 3.99Å; P66-F97 HydrophobicContact CG-CZ 4.01Å
67	G	93.1	Very high	95.6	Very high	27 Å²	27	64.1 Å²	64.1	28%	0.278	36%	0.359	S	S	.	.			trans	131.4	140.1	-179.3	0	0	0	0	0	112	S65 K69 V70 F97	S65-G67 PolarHBondContact O-N 2.95Å; S65-G67 PolarHBondContact OG-N 3.38Å; G67-K69 PolarHBondContact O-N 3.01Å; G67-V70 WeakPolarHBondContact O-CG1 3.4Å; G67-V70 WeakPolarHBondContact O-CG2 3.33Å; G67-V70 PolarHBondContact O-N 3.04Å; G67-F97 WeakPolarHBondContact O-CZ 3.42Å
68	E	88.6	Confident	95.3	Very high	122 Å²	122	64.7 Å²	64.7	57%	0.57	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-25.4	-170.6	-54.7	-168.5	150.6	0	0	114.4	K93	E68-K93 VanDerWaalsContact CG-NZ 3.33Å; E68-K93 IonicContact OE1-NZ 3.35Å; E68-K93 PolarHBondContact OE1-NZ 3.33Å
69	K	91.1	Very high	94.8	Very high	184 Å²	184	65.3 Å²	65.3	80%	0.8	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.9	23.6	-173	-61.4	-178.3	-178.2	175.9	0	112.7	G67 F71	G67-K69 PolarHBondContact O-N 3.01Å; K69-F71 VanDerWaalsContact C-N 3.32Å; K69-F71 PolarHBondContact O-N 3.24Å
70	V	95.7	Very high	94.5	Very high	26 Å²	26	68.1 Å²	68.1	16%	0.158	36%	0.359	C	S	.	.			trans	-65.9	-35.8	-178.1	-66.3	0	0	0	0	112.4	L27 P66 G67 F97 F116	L27-V70 HydrophobicContact CD1-CG2 4.49Å; P66-V70 HydrophobicContact CB-CG1 4.47Å; P66-V70 HydrophobicContact CG-CG2 4.06Å; P66-V70 VanDerWaalsContact O-CG1 3.26Å; P66-V70 WeakPolarHBondContact O-CG1 3.48Å; G67-V70 WeakPolarHBondContact O-CG1 3.4Å; G67-V70 WeakPolarHBondContact O-CG2 3.33Å; G67-V70 PolarHBondContact O-N 3.04Å; V70-F97 HydrophobicContact CG2-CE1 4.14Å; V70-F97 HydrophobicContact CG2-CE2 4.14Å; V70-F97 HydrophobicContact CG2-CZ 3.59Å; V70-F116 HydrophobicContact CB-CD2 4.06Å; V70-F116 HydrophobicContact CB-CE2 4.08Å; V70-F116 HydrophobicContact CG1-CE2 4.42Å; V70-F116 WeakPolarHBondContact O-CD2 3.21Å
71	F	97.9	Very high	94	Very high	9 Å²	9	72.1 Å²	72.1	4%	0.039	38%	0.375	C	S	.	.			trans	-99.3	125.6	-179.2	-64.1	-60.9	0	0	0	111.3	L27 I52 A54 K69 F97 V114 K115 F116 V121	L27-F71 HydrophobicContact CD1-CE1 4.35Å; L27-F71 HydrophobicContact CD1-CZ 3.85Å; L27-F71 HydrophobicContact CD2-CE1 4.27Å; L27-F71 HydrophobicContact CD2-CZ 4.4Å; I52-F71 HydrophobicContact CB-CD2 4.37Å; I52-F71 HydrophobicContact CB-CE2 4.25Å; I52-F71 HydrophobicContact CD1-CB 3.98Å; I52-F71 HydrophobicContact CD1-CD2 3.92Å; I52-F71 HydrophobicContact CD1-CG 3.88Å; I52-F71 HydrophobicContact CG2-CD1 4.47Å; I52-F71 HydrophobicContact CG2-CD2 3.93Å; I52-F71 HydrophobicContact CG2-CE1 4.06Å; I52-F71 HydrophobicContact CG2-CE2 3.48Å; I52-F71 VanDerWaalsContact CG2-CE2 3.48Å; I52-F71 HydrophobicContact CG2-CG 4.41Å; I52-F71 HydrophobicContact CG2-CZ 3.54Å; A54-F71 HydrophobicContact CB-CE2 4.29Å; A54-F71 HydrophobicContact CB-CZ 4.2Å; K69-F71 VanDerWaalsContact C-N 3.32Å; K69-F71 PolarHBondContact O-N 3.24Å; F71-F97 HydrophobicContact CD2-CD1 4.35Å; F71-F97 AromaticContact CD2-CD2 3.69Å; F71-F97 HydrophobicContact CD2-CD2 3.69Å; F71-F97 HydrophobicContact CD2-CE1 4.43Å; F71-F97 AromaticContact CD2-CE2 3.83Å; F71-F97 HydrophobicContact CD2-CE2 3.83Å; F71-F97 AromaticContact CD2-CG 4Å; F71-F97 HydrophobicContact CD2-CG 4Å; F71-F97 HydrophobicContact CD2-CZ 4.2Å; F71-F97 AromaticContact CE2-CD2 3.56Å; F71-F97 HydrophobicContact CE2-CD2 3.56Å; F71-F97 AromaticContact CE2-CE2 3.55Å; F71-F97 HydrophobicContact CE2-CE2 3.55Å; F71-F97 HydrophobicContact CE2-CG 4.32Å; F71-F97 HydrophobicContact CE2-CZ 4.26Å; F71-V114 HydrophobicContact CB-CG1 4.5Å; F71-V114 HydrophobicContact CD1-CG1 4.37Å; F71-K115 WeakPolarHBondContact CA-O 3.06Å; F71-F116 HydrophobicContact CD1-CB 4.22Å; F71-F116 HydrophobicContact CE1-CB 4.22Å; F71-V121 HydrophobicContact CD1-CG2 3.79Å; F71-V121 HydrophobicContact CE1-CB 4.46Å; F71-V121 HydrophobicContact CE1-CG1 3.93Å; F71-V121 HydrophobicContact CE1-CG2 3.72Å
72	Q	98.1	Very high	93.6	Very high	120 Å²	120	74.1 Å²	74.1	56%	0.561	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.3	122.9	171.5	-63.1	174.2	13.2	0	0	108.3	V114 K115	Q72-V114 WeakPolarHBondContact O-CA 3.28Å; Q72-K115 PolarHBondContact N-O 2.86Å; Q72-K115 PolarHBondContact O-N 2.87Å
73	V	98.4	Very high	93.4	Very high	29 Å²	29	75.4 Å²	75.4	18%	0.176	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	131.4	178.6	-175.6	0	0	0	0	110.5	F50 V75 V87 V89 V99 V112 E113 V114	F50-V73 HydrophobicContact CZ-CG1 4.36Å; V73-V75 HydrophobicContact CG1-CG2 4.48Å; V73-V87 HydrophobicContact CB-CG1 4.2Å; V73-V87 HydrophobicContact CG1-CG1 4.01Å; V73-V89 HydrophobicContact CB-CG2 3.99Å; V73-V89 HydrophobicContact CG2-CG2 3.58Å; V73-V99 HydrophobicContact CB-CG1 4.32Å; V73-V99 HydrophobicContact CG1-CG1 3.89Å; V73-V99 HydrophobicContact CG2-CG1 4.12Å; V73-V99 HydrophobicContact CG2-CG2 3.85Å; V73-V112 HydrophobicContact CG1-CG1 4.39Å; V73-E113 CarbonylContact C-O 3.57Å; V73-E113 VanDerWaalsContact CA-O 3.26Å; V73-E113 WeakPolarHBondContact CA-O 3.44Å; V73-V114 HydrophobicContact CG1-CG2 4.43Å; V73-V114 HydrophobicContact CG2-CG1 4.25Å; V73-V114 HydrophobicContact CG2-CG2 4.18Å
74	K	98	Very high	93.4	Very high	131 Å²	131	76 Å²	76	57%	0.57	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.6	127.7	171.9	-177.2	177.6	179.5	178.6	0	109.8	E113	K74-E113 HydrophobicContact CB-CB 4.38Å; K74-E113 PolarHBondContact N-O 2.88Å; K74-E113 PolarHBondContact O-N 3.38Å
75	V	98.1	Very high	93.5	Very high	13 Å²	13	74 Å²	74	8%	0.079	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	125.2	171.2	-176.6	0	0	0	0	108.1	V73 V85 V87 Y101 L110 K111 V112	V73-V75 HydrophobicContact CG1-CG2 4.48Å; V75-V85 HydrophobicContact CB-CB 4.47Å; V75-V85 HydrophobicContact CB-CG1 3.98Å; V75-V85 HydrophobicContact CG1-CB 4.35Å; V75-V85 HydrophobicContact CG1-CG1 3.94Å; V75-V85 HydrophobicContact CG1-CG2 4.27Å; V75-V87 HydrophobicContact CB-CG2 3.95Å; V75-V87 HydrophobicContact CG2-CG2 3.68Å; V75-Y101 HydrophobicContact CG1-CD2 4.45Å; V75-Y101 HydrophobicContact CG1-CE2 4.49Å; V75-Y101 HydrophobicContact CG2-CG 4.3Å; V75-L110 HydrophobicContact CG1-CD1 3.74Å; V75-L110 HydrophobicContact CG1-CD2 3.61Å; V75-L110 HydrophobicContact CG1-CG 3.67Å; V75-K111 WeakPolarHBondContact CA-O 3.37Å; V75-V112 HydrophobicContact CG1-CG2 4.45Å; V75-V112 HydrophobicContact CG2-CG1 4.37Å; V75-V112 HydrophobicContact CG2-CG2 4.27Å
76	S	97	Very high	93.6	Very high	16 Å²	16	73.4 Å²	73.4	11%	0.112	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	151.5	-175.7	56.1	0	0	0	0	111.2	K111	S76-K111 PolarHBondContact N-O 3.47Å; S76-K111 WeakPolarHBondContact O-CA 3.4Å; S76-K111 PolarHBondContact O-N 3.01Å; S76-K111 VanDerWaalsContact OG-CE 3.25Å; S76-K111 WeakPolarHBondContact OG-CE 3.37Å
77	A	95.4	Very high	93.8	Very high	5 Å²	5	73.8 Å²	73.8	4%	0.041	37%	0.369	C	S	.	.			trans	-104.7	108.2	169.4	0	0	0	0	0	108.4	E79 E80 T83 Y107 L110	A77-E79 PolarHBondContact O-N 2.86Å; A77-E79 VanDerWaalsContact O-N 3.16Å; A77-E80 HydrophobicContact CB-CB 3.9Å; A77-E80 HydrophobicContact CB-CG 3.64Å; A77-E80 PolarHBondContact O-N 2.91Å; A77-E80 VanDerWaalsContact O-N 3.1Å; A77-T83 PolarHBondContact N-OG1 3.28Å; A77-Y107 HydrophobicContact CB-CD1 3.45Å; A77-Y107 VanDerWaalsContact CB-CD1 3.45Å; A77-Y107 HydrophobicContact CB-CE1 3.98Å; A77-Y107 HydrophobicContact CB-CG 3.75Å; A77-L110 HydrophobicContact CB-CD1 4.45Å
78	P	88.8	Confident	94	Very high	83 Å²	83	76.4 Å²	76.4	54%	0.539	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-24.7	-173.2	-24.8	34.1	0	0	0	115	K111	P78-K111 HydrophobicContact CG-CB 3.99Å
79	E	87.2	Confident	94.5	Very high	105 Å²	105	72.7 Å²	72.7	49%	0.491	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	-2.9	-178.5	-65	175.9	-141	0	0	112.8	A77 K108 N109	A77-E79 PolarHBondContact O-N 2.86Å; A77-E79 VanDerWaalsContact O-N 3.16Å; E79-K108 IonicContact OE1-NZ 2.63Å; E79-K108 WeakPolarHBondContact OE2-CD 3.26Å; E79-K108 WeakPolarHBondContact OE2-CE 3.38Å; E79-K108 IonicContact OE2-NZ 2.83Å; E79-K108 PolarHBondContact OE2-NZ 2.93Å; E79-N109 PolarHBondContact OE1-ND2 2.79Å
80	E	89	Confident	94.8	Very high	98 Å²	98	64.9 Å²	64.9	46%	0.458	33%	0.326	S	S	.	.			trans	-114.8	144.8	-174	-60.3	-64.9	161.8	0	0	111.9	A77 F82 Y107	A77-E80 HydrophobicContact CB-CB 3.9Å; A77-E80 HydrophobicContact CB-CG 3.64Å; A77-E80 PolarHBondContact O-N 2.91Å; A77-E80 VanDerWaalsContact O-N 3.1Å; E80-F82 VanDerWaalsContact C-N 3.34Å; E80-Y107 HydrophobicContact CG-CD1 3.77Å; E80-Y107 HydrophobicContact CG-CE1 4.09Å
81	Q	86.4	Confident	94.9	Very high	168 Å²	168	64.1 Å²	64.1	79%	0.785	32%	0.321	S	S	*	.	S	Bend	trans	-67.9	-35.1	173.6	-171.3	-179.3	4.3	0	0	112.1
82	F	87.9	Confident	94.9	Very high	142 Å²	142	65.5 Å²	65.5	62%	0.623	33%	0.326	S	S	*	.			trans	-132.6	132.2	-177.9	-58.8	-75.5	0	0	0	111.4	E80	E80-F82 VanDerWaalsContact C-N 3.34Å
83	T	93.1	Very high	94.7	Very high	45 Å²	45	63.2 Å²	63.2	28%	0.276	31%	0.314	S	S	.	.			trans	-109.5	114.9	172.2	-52	0	0	0	0	109.9	A77 V85 Y107	A77-T83 PolarHBondContact N-OG1 3.28Å; T83-V85 HydrophobicContact CG2-CB 4.12Å; T83-V85 HydrophobicContact CG2-CG2 3.57Å; T83-V85 PolarHBondContact O-N 3.12Å; T83-Y107 HydrophobicContact CG2-CE2 4.13Å
84	R	94.1	Very high	94.6	Very high	128 Å²	128	63.9 Å²	63.9	48%	0.483	32%	0.317	S	S	.	.			trans	-94.8	75.4	179.4	-62.7	-176.6	177	-99	4.5	109.4	Y104 Y107 F489	R84-Y104 WeakPolarHBondContact O-CD2 3.01Å; R84-Y104 PolarHBondContact O-N 3.23Å; R84-Y107 PolarHBondContact N-OH 3.03Å; R84-F489 VanDerWaalsContact CD-CE1 3.41Å; R84-F489 VanDerWaalsContact CZ-CE1 3.46Å
85	V	96.4	Very high	94.5	Very high	26 Å²	26	57.7 Å²	57.7	16%	0.158	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	123.2	179	178.7	0	0	0	0	109.1	V75 T83 V87 Y101 R102 M103 Y107	V75-V85 HydrophobicContact CB-CB 4.47Å; V75-V85 HydrophobicContact CB-CG1 3.98Å; V75-V85 HydrophobicContact CG1-CB 4.35Å; V75-V85 HydrophobicContact CG1-CG1 3.94Å; V75-V85 HydrophobicContact CG1-CG2 4.27Å; T83-V85 HydrophobicContact CG2-CB 4.12Å; T83-V85 HydrophobicContact CG2-CG2 3.57Å; T83-V85 PolarHBondContact O-N 3.12Å; V85-V87 HydrophobicContact CG1-CG2 3.89Å; V85-Y101 HydrophobicContact CG1-CD2 3.68Å; V85-Y101 HydrophobicContact CG1-CG 4.19Å; V85-R102 WeakPolarHBondContact CA-O 3.25Å; V85-M103 HydrophobicContact CG2-CB 4.5Å; V85-M103 HydrophobicContact CG2-CG 4Å; V85-Y107 HydrophobicContact CG2-CE2 3.9Å
86	G	96.9	Very high	94.5	Very high	25 Å²	25	57.1 Å²	57.1	26%	0.258	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	130.2	168.9	0	0	0	0	0	109.5	Y101 R102 M280	G86-Y101 CarbonylContact O-C 3.57Å; G86-Y101 WeakPolarHBondContact O-CA 3.44Å; G86-Y101 VanDerWaalsContact O-CB 3.3Å; G86-Y101 WeakPolarHBondContact O-CB 3.36Å; G86-R102 PolarHBondContact N-O 3.03Å; G86-R102 PolarHBondContact O-N 2.86Å; G86-M280 VanDerWaalsContact O-CE 3.26Å; G86-M280 WeakPolarHBondContact O-CE 3.43Å
87	V	98.1	Very high	94.6	Very high	48 Å²	48	56.4 Å²	56.4	29%	0.291	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	138.4	-177.2	-175.7	0	0	0	0	109.8	V73 V75 V85 V99	V73-V87 HydrophobicContact CB-CG1 4.2Å; V73-V87 HydrophobicContact CG1-CG1 4.01Å; V75-V87 HydrophobicContact CB-CG2 3.95Å; V75-V87 HydrophobicContact CG2-CG2 3.68Å; V85-V87 HydrophobicContact CG1-CG2 3.89Å; V87-V99 HydrophobicContact CG1-CG1 4.23Å
88	Q	97.9	Very high	94.7	Very high	81 Å²	81	56.1 Å²	56.1	38%	0.379	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	138.7	171.9	-68.9	177.4	-9.7	0	0	110.1	L90 V99 R100 M280	Q88-L90 HydrophobicContact CB-CD2 4.42Å; Q88-V99 WeakPolarHBondContact O-CA 3.22Å; Q88-R100 HydrophobicContact CB-CG 4.03Å; Q88-R100 PolarHBondContact N-O 3.17Å; Q88-R100 PolarHBondContact O-N 3.37Å; Q88-M280 HydrophobicContact CB-CE 4.42Å; Q88-M280 HydrophobicContact CG-CE 4.01Å
89	V	98.4	Very high	95.2	Very high	44 Å²	44	52.2 Å²	52.2	27%	0.267	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	122.7	171.1	-175	0	0	0	0	107.2	V73 F97 V99	V73-V89 HydrophobicContact CB-CG2 3.99Å; V73-V89 HydrophobicContact CG2-CG2 3.58Å; V89-F97 HydrophobicContact CG1-CB 4.41Å; V89-F97 HydrophobicContact CG1-CD1 4.03Å; V89-V99 HydrophobicContact CG1-CG2 4.44Å; V89-V99 HydrophobicContact CG2-CG2 4.35Å
90	L	98	Very high	95.7	Very high	21 Å²	21	47.9 Å²	47.9	11%	0.11	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	116.6	-173.8	-59.7	-176.3	0	0	0	109	Q88 F97 I98 R100 M288 A292	Q88-L90 HydrophobicContact CB-CD2 4.42Å; L90-F97 CarbonylContact O-C 3.47Å; L90-F97 WeakPolarHBondContact O-CA 3.5Å; L90-I98 HydrophobicContact CB-CB 4.16Å; L90-I98 WeakPolarHBondContact CB-O 3.24Å; L90-I98 HydrophobicContact CD1-CB 4.48Å; L90-I98 PolarHBondContact N-O 3.02Å; L90-I98 PolarHBondContact O-N 2.56Å; L90-R100 HydrophobicContact CD1-CG 4.3Å; L90-M288 HydrophobicContact CD1-CB 4.01Å; L90-A292 HydrophobicContact CB-CB 3.75Å; L90-A292 HydrophobicContact CD1-CB 4.34Å; L90-A292 HydrophobicContact CD2-CB 4.14Å; L90-A292 HydrophobicContact CG-CB 4.29Å
91	D	97.8	Very high	96.1	Very high	10 Å²	10	43.2 Å²	43.2	5%	0.053	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	118.3	176.3	175.8	8.1	0	0	0	110.3	S65 K93 F97 A292	S65-D91 WeakPolarHBondContact CB-OD2 3.09Å; S65-D91 VanDerWaalsContact OG-CG 3.25Å; S65-D91 PolarHBondContact OG-OD1 3.4Å; S65-D91 PolarHBondContact OG-OD2 2.96Å; D91-K93 PolarHBondContact O-N 2.91Å; D91-K93 WeakPolarHBondContact OD1-CA 3.41Å; D91-K93 PolarHBondContact OD1-N 3.02Å; D91-K93 WeakPolarHBondContact OD2-CD 3.42Å; D91-K93 WeakPolarHBondContact OD2-CE 3.42Å; D91-K93 IonicContact OD2-NZ 3.53Å; D91-K93 PolarHBondContact OD2-NZ 3.38Å; D91-F97 HydrophobicContact CB-CD1 3.86Å; D91-F97 HydrophobicContact CB-CE1 3.64Å; D91-A292 WeakPolarHBondContact O-CA 3.36Å
92	R	96.9	Very high	96.7	Very high	37 Å²	37	36.4 Å²	36.4	14%	0.14	18%	0.179	C	C	.	.			trans	-81.9	0.2	-179.8	-69.2	173.6	41.4	-172.3	-16	113.8	D94 S96 I98 Q291 R444	R92-D94 WeakPolarHBondContact CB-OD1 3.48Å; R92-D94 IonicContact CZ-OD2 3.73Å; R92-D94 IonicContact NE-OD1 3.77Å; R92-D94 IonicContact NE-OD2 3.7Å; R92-D94 PolarHBondContact NE-OD2 3.37Å; R92-D94 IonicContact NH2-OD1 3.74Å; R92-D94 IonicContact NH2-OD2 3.02Å; R92-D94 PolarHBondContact NH2-OD2 3.46Å; R92-D94 PolarHBondContact O-N 2.97Å; R92-S96 WeakPolarHBondContact CB-O 2.95Å; R92-S96 VanDerWaalsContact CD-OG 3.31Å; R92-S96 WeakPolarHBondContact CD-OG 3.44Å; R92-S96 PolarHBondContact N-O 3.42Å; R92-S96 PolarHBondContact NE-OG 2.7Å; R92-S96 VanDerWaalsContact NE-OG 3.07Å; R92-S96 PolarHBondContact NH1-OG 3.5Å; R92-S96 PolarHBondContact NH2-OG 3.08Å; R92-I98 HydrophobicContact CG-CD1 4.22Å; R92-I98 HydrophobicContact CG-CG1 3.93Å; R92-Q291 WeakPolarHBondContact CA-O 3.41Å; R92-Q291 HydrophobicContact CG-CB 4.22Å; R92-R444 VanDerWaalsContact CZ-CZ 3.4Å; R92-R444 VanDerWaalsContact NE-NH2 3.16Å
93	K	95.4	Very high	97	Very high	72 Å²	72	30.1 Å²	30.1	31%	0.313	15%	0.151	S	C	.	.	S	Bend	trans	65.4	0.2	-179.3	-48.1	-59.3	174.4	-174.9	0	115.6	S64 S65 E68 D91	S64-K93 WeakPolarHBondContact CA-O 3.42Å; S65-K93 PolarHBondContact N-O 3.37Å; E68-K93 VanDerWaalsContact CG-NZ 3.33Å; E68-K93 IonicContact OE1-NZ 3.35Å; E68-K93 PolarHBondContact OE1-NZ 3.33Å; D91-K93 PolarHBondContact O-N 2.91Å; D91-K93 WeakPolarHBondContact OD1-CA 3.41Å; D91-K93 PolarHBondContact OD1-N 3.02Å; D91-K93 WeakPolarHBondContact OD2-CD 3.42Å; D91-K93 WeakPolarHBondContact OD2-CE 3.42Å; D91-K93 IonicContact OD2-NZ 3.53Å; D91-K93 PolarHBondContact OD2-NZ 3.38Å
94	D	95	Very high	97	Very high	44 Å²	44	32.8 Å²	32.8	24%	0.235	16%	0.157	C	C	.	.	S	Bend	trans	-107	15	-179.5	63	12.1	0	0	0	113	F62 T63 R92 S96 R444	F62-D94 VanDerWaalsContact O-O 3.07Å; T63-D94 VanDerWaalsContact C-C 3.49Å; T63-D94 CarbonylContact C-O 3.43Å; T63-D94 WeakPolarHBondContact CA-O 3.32Å; R92-D94 WeakPolarHBondContact CB-OD1 3.48Å; R92-D94 IonicContact CZ-OD2 3.73Å; R92-D94 IonicContact NE-OD1 3.77Å; R92-D94 IonicContact NE-OD2 3.7Å; R92-D94 PolarHBondContact NE-OD2 3.37Å; R92-D94 IonicContact NH2-OD1 3.74Å; R92-D94 IonicContact NH2-OD2 3.02Å; R92-D94 PolarHBondContact NH2-OD2 3.46Å; R92-D94 PolarHBondContact O-N 2.97Å; D94-S96 VanDerWaalsContact C-N 3.29Å; D94-S96 WeakPolarHBondContact OD1-CB 3.19Å; D94-S96 PolarHBondContact OD1-N 3.11Å; D94-S96 PolarHBondContact OD1-OG 3.08Å; D94-R444 IonicContact OD2-CZ 2.71Å; D94-R444 IonicContact OD2-NH1 3.83Å; D94-R444 PolarHBondContact OD2-NH1 3.4Å; D94-R444 IonicContact OD2-NH2 2.7Å
95	G	96.3	Very high	97	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.139	C	C	.	.	S	Bend	trans	85.1	-0.8	-176	0	0	0	0	0	114.3	Q53 A54 S64	Q53-G95 PolarHBondContact NE2-O 2.86Å; A54-G95 WeakPolarHBondContact CB-O 2.91Å; A54-G95 PolarHBondContact N-O 3.16Å; S64-G95 WeakPolarHBondContact O-CA 3.5Å
96	S	97.9	Very high	96.9	Very high	2 Å²	2	27.5 Å²	27.5	1%	0.014	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	161.5	171.1	77.3	0	0	0	0	112.4	I52 R92 D94	I52-S96 CarbonylContact O-C 3.54Å; I52-S96 WeakPolarHBondContact O-CA 3.39Å; R92-S96 WeakPolarHBondContact CB-O 2.95Å; R92-S96 VanDerWaalsContact CD-OG 3.31Å; R92-S96 WeakPolarHBondContact CD-OG 3.44Å; R92-S96 PolarHBondContact N-O 3.42Å; R92-S96 PolarHBondContact NE-OG 2.7Å; R92-S96 VanDerWaalsContact NE-OG 3.07Å; R92-S96 PolarHBondContact NH1-OG 3.5Å; R92-S96 PolarHBondContact NH2-OG 3.08Å; D94-S96 VanDerWaalsContact C-N 3.29Å; D94-S96 WeakPolarHBondContact OD1-CB 3.19Å; D94-S96 PolarHBondContact OD1-N 3.11Å; D94-S96 PolarHBondContact OD1-OG 3.08Å
97	F	98.7	Very high	96.8	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	148.6	-178.2	-61.3	-105.2	0	0	0	109.8	Y51 I52 P66 G67 V70 F71 V89 L90 D91	Y51-F97 CarbonylContact C-O 2.99Å; Y51-F97 VanDerWaalsContact CA-O 3.24Å; Y51-F97 WeakPolarHBondContact CA-O 3.47Å; I52-F97 HydrophobicContact CB-CB 4.25Å; I52-F97 PolarHBondContact N-O 3.48Å; I52-F97 PolarHBondContact O-N 3.2Å; P66-F97 HydrophobicContact CG-CE2 3.99Å; P66-F97 HydrophobicContact CG-CZ 4.01Å; G67-F97 WeakPolarHBondContact O-CZ 3.42Å; V70-F97 HydrophobicContact CG2-CE1 4.14Å; V70-F97 HydrophobicContact CG2-CE2 4.14Å; V70-F97 HydrophobicContact CG2-CZ 3.59Å; F71-F97 HydrophobicContact CD2-CD1 4.35Å; F71-F97 AromaticContact CD2-CD2 3.69Å; F71-F97 HydrophobicContact CD2-CD2 3.69Å; F71-F97 HydrophobicContact CD2-CE1 4.43Å; F71-F97 AromaticContact CD2-CE2 3.83Å; F71-F97 HydrophobicContact CD2-CE2 3.83Å; F71-F97 AromaticContact CD2-CG 4Å; F71-F97 HydrophobicContact CD2-CG 4Å; F71-F97 HydrophobicContact CD2-CZ 4.2Å; F71-F97 AromaticContact CE2-CD2 3.56Å; F71-F97 HydrophobicContact CE2-CD2 3.56Å; F71-F97 AromaticContact CE2-CE2 3.55Å; F71-F97 HydrophobicContact CE2-CE2 3.55Å; F71-F97 HydrophobicContact CE2-CG 4.32Å; F71-F97 HydrophobicContact CE2-CZ 4.26Å; V89-F97 HydrophobicContact CG1-CB 4.41Å; V89-F97 HydrophobicContact CG1-CD1 4.03Å; L90-F97 CarbonylContact O-C 3.47Å; L90-F97 WeakPolarHBondContact O-CA 3.5Å; D91-F97 HydrophobicContact CB-CD1 3.86Å; D91-F97 HydrophobicContact CB-CE1 3.64Å
98	I	98.7	Very high	96.5	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	123.3	165.7	-50.4	178.2	0	0	0	107.3	Y49 Y51 L90 R92 M288 Q291	Y49-I98 HydrophobicContact CD2-CG2 4.5Å; Y51-I98 HydrophobicContact CD1-CG1 3.93Å; Y51-I98 HydrophobicContact CE1-CD1 4.18Å; Y51-I98 HydrophobicContact CE1-CG1 3.8Å; L90-I98 HydrophobicContact CB-CB 4.16Å; L90-I98 WeakPolarHBondContact CB-O 3.24Å; L90-I98 HydrophobicContact CD1-CB 4.48Å; L90-I98 PolarHBondContact N-O 3.02Å; L90-I98 PolarHBondContact O-N 2.56Å; R92-I98 HydrophobicContact CG-CD1 4.22Å; R92-I98 HydrophobicContact CG-CG1 3.93Å; I98-M288 HydrophobicContact CD1-CB 4.17Å; I98-M288 HydrophobicContact CD1-CG 4.14Å; I98-M288 HydrophobicContact CG2-CG 4.12Å; I98-M288 HydrophobicContact CG2-SD 3.92Å; I98-Q291 HydrophobicContact CD1-CB 4.02Å; I98-Q291 HydrophobicContact CD1-CG 4.47Å
99	V	98.7	Very high	96.4	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	123.5	163.9	-177	0	0	0	0	107.1	Y49 F50 I52 V73 V87 Q88 V89	Y49-V99 CarbonylContact C-O 3.46Å; Y49-V99 WeakPolarHBondContact CA-O 3.39Å; Y49-V99 WeakPolarHBondContact CB-O 3.46Å; F50-V99 HydrophobicContact CD1-CB 4Å; F50-V99 HydrophobicContact CD1-CG1 4.22Å; F50-V99 HydrophobicContact CD2-CB 3.99Å; F50-V99 HydrophobicContact CD2-CG2 4.15Å; F50-V99 HydrophobicContact CE1-CB 3.6Å; F50-V99 HydrophobicContact CE1-CG1 3.44Å; F50-V99 VanDerWaalsContact CE1-CG1 3.44Å; F50-V99 HydrophobicContact CE1-CG2 4.35Å; F50-V99 HydrophobicContact CE2-CB 3.6Å; F50-V99 HydrophobicContact CE2-CG1 4.15Å; F50-V99 HydrophobicContact CE2-CG2 3.5Å; F50-V99 HydrophobicContact CG-CB 4.19Å; F50-V99 HydrophobicContact CZ-CB 3.41Å; F50-V99 VanDerWaalsContact CZ-CB 3.41Å; F50-V99 HydrophobicContact CZ-CG1 3.42Å; F50-V99 VanDerWaalsContact CZ-CG1 3.42Å; F50-V99 HydrophobicContact CZ-CG2 3.64Å; F50-V99 PolarHBondContact N-O 3.21Å; F50-V99 PolarHBondContact O-N 2.92Å; I52-V99 HydrophobicContact CD1-CG2 3.57Å; I52-V99 HydrophobicContact CG1-CG2 4.06Å; V73-V99 HydrophobicContact CB-CG1 4.32Å; V73-V99 HydrophobicContact CG1-CG1 3.89Å; V73-V99 HydrophobicContact CG2-CG1 4.12Å; V73-V99 HydrophobicContact CG2-CG2 3.85Å; V87-V99 HydrophobicContact CG1-CG1 4.23Å; Q88-V99 WeakPolarHBondContact O-CA 3.22Å; V89-V99 HydrophobicContact CG1-CG2 4.44Å; V89-V99 HydrophobicContact CG2-CG2 4.35Å
100	R	98.2	Very high	96.3	Very high	15 Å²	15	26.2 Å²	26.2	6%	0.057	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	145.9	172.8	63	173.4	-174.3	-167.5	-2.2	110.8	R48 Q88 L90 M280 D286 M288 S289	R48-R100 CarbonylContact O-C 3.59Å; R48-R100 VanDerWaalsContact O-CA 3.27Å; R48-R100 WeakPolarHBondContact O-CA 3.31Å; Q88-R100 HydrophobicContact CB-CG 4.03Å; Q88-R100 PolarHBondContact N-O 3.17Å; Q88-R100 PolarHBondContact O-N 3.37Å; L90-R100 HydrophobicContact CD1-CG 4.3Å; R100-M280 HydrophobicContact CB-SD 3.95Å; R100-M280 HydrophobicContact CG-CE 4.46Å; R100-M280 HydrophobicContact CG-CG 4.29Å; R100-M280 HydrophobicContact CG-SD 3.55Å; R100-M280 VanDerWaalsContact CG-SD 3.55Å; R100-D286 IonicContact CZ-OD2 3.78Å; R100-D286 IonicContact NH1-OD1 3.94Å; R100-D286 PolarHBondContact NH1-OD1 3.32Å; R100-D286 IonicContact NH1-OD2 2.89Å; R100-D286 PolarHBondContact NH1-OD2 3.22Å; R100-D286 IonicContact NH2-OD2 2.75Å; R100-M288 HydrophobicContact CB-SD 3.83Å; R100-M288 HydrophobicContact CG-SD 4.49Å; R100-S289 PolarHBondContact NH1-OG 3.45Å; R100-S289 PolarHBondContact NH2-OG 3.08Å
101	Y	98.3	Very high	96.3	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	142.1	177.6	68.3	-85.1	0	0	0	112.4	G38 R48 F50 V75 V85 G86 M103 L110	G38-Y101 PolarHBondContact O-OH 3.43Å; R48-Y101 HydrophobicContact CB-CD1 4.08Å; R48-Y101 HydrophobicContact CB-CD2 4.27Å; R48-Y101 HydrophobicContact CB-CE1 3.58Å; R48-Y101 HydrophobicContact CB-CE2 3.83Å; R48-Y101 HydrophobicContact CB-CG 4.4Å; R48-Y101 VanDerWaalsContact CB-CZ 3.45Å; R48-Y101 WeakPolarHBondContact CD-OH 3.33Å; R48-Y101 HydrophobicContact CG-CE2 4.27Å; R48-Y101 PolarHBondContact N-O 3.22Å; R48-Y101 PolarHBondContact O-N 2.9Å; F50-Y101 HydrophobicContact CD1-CE1 4.33Å; F50-Y101 HydrophobicContact CE1-CD1 4.5Å; F50-Y101 HydrophobicContact CE1-CE1 4.39Å; V75-Y101 HydrophobicContact CG1-CD2 4.45Å; V75-Y101 HydrophobicContact CG1-CE2 4.49Å; V75-Y101 HydrophobicContact CG2-CG 4.3Å; V85-Y101 HydrophobicContact CG1-CD2 3.68Å; V85-Y101 HydrophobicContact CG1-CG 4.19Å; G86-Y101 CarbonylContact O-C 3.57Å; G86-Y101 WeakPolarHBondContact O-CA 3.44Å; G86-Y101 VanDerWaalsContact O-CB 3.3Å; G86-Y101 WeakPolarHBondContact O-CB 3.36Å; Y101-M103 HydrophobicContact CD2-CG 4.05Å; Y101-M103 HydrophobicContact CE2-CG 3.94Å; Y101-M103 HydrophobicContact CE2-SD 4.01Å; Y101-L110 HydrophobicContact CE2-CD2 3.89Å
102	R	97.1	Very high	96.3	Very high	25 Å²	25	27.2 Å²	27.2	9%	0.094	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	125.3	176.7	-176.6	164.5	-168.8	112.7	1.7	109.5	P46 V85 G86 Y104 L277 T279 M280	P46-R102 WeakPolarHBondContact O-CG 3.44Å; V85-R102 WeakPolarHBondContact CA-O 3.25Å; G86-R102 PolarHBondContact N-O 3.03Å; G86-R102 PolarHBondContact O-N 2.86Å; R102-Y104 HydrophobicContact CG-CE1 4.12Å; R102-L277 PolarHBondContact NH1-O 3.48Å; R102-T279 PolarHBondContact NH1-O 2.95Å; R102-M280 HydrophobicContact CB-CB 4.08Å; R102-M280 HydrophobicContact CB-CE 4.42Å; R102-M280 HydrophobicContact CB-SD 4.21Å
103	M	95.8	Very high	96.4	Very high	9 Å²	9	26.5 Å²	26.5	4%	0.044	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	133.8	176.4	-64.5	174.7	51	0	0	109.5	V85 Y101 A105 Y107 L110 V132 H134	V85-M103 HydrophobicContact CG2-CB 4.5Å; V85-M103 HydrophobicContact CG2-CG 4Å; Y101-M103 HydrophobicContact CD2-CG 4.05Å; Y101-M103 HydrophobicContact CE2-CG 3.94Å; Y101-M103 HydrophobicContact CE2-SD 4.01Å; M103-A105 VanDerWaalsContact CE-O 3.27Å; M103-A105 WeakPolarHBondContact CE-O 3.26Å; M103-Y107 HydrophobicContact CE-CD2 3.61Å; M103-Y107 HydrophobicContact CE-CE2 4.06Å; M103-L110 HydrophobicContact SD-CD2 4.05Å; M103-V132 HydrophobicContact CE-CB 4.21Å; M103-V132 HydrophobicContact CE-CG1 3.75Å; M103-V132 VanDerWaalsContact CE-O 3.3Å; M103-V132 WeakPolarHBondContact CE-O 3.39Å; M103-V132 HydrophobicContact SD-CG1 3.77Å; M103-H134 HydrophobicContact CB-CB 3.9Å
104	Y	93.5	Very high	96.5	Very high	101 Å²	101	23.1 Å²	23.1	40%	0.396	11%	0.108	S	C	.	.	S	Bend	trans	-108.6	0.4	174.7	-57.4	-78.7	0	0	0	112.7	R84 R102 F489	R84-Y104 WeakPolarHBondContact O-CD2 3.01Å; R84-Y104 PolarHBondContact O-N 3.23Å; R102-Y104 HydrophobicContact CG-CE1 4.12Å; Y104-F489 WeakPolarHBondContact O-CB 3.47Å; Y104-F489 WeakPolarHBondContact O-CD2 3.24Å; Y104-F489 WeakPolarHBondContact O-CG 3.43Å
105	A	93.8	Very high	96.7	Very high	14 Å²	14	23.6 Å²	23.6	12%	0.116	11%	0.108	C	C	.	.	S	Bend	trans	-149.7	161.2	172.6	0	0	0	0	0	109.5	M103 Y107 H134 F489	M103-A105 VanDerWaalsContact CE-O 3.27Å; M103-A105 WeakPolarHBondContact CE-O 3.26Å; A105-Y107 HydrophobicContact CB-CE1 4.41Å; A105-Y107 VanDerWaalsContact O-CE2 3.23Å; A105-Y107 WeakPolarHBondContact O-CE2 3.27Å; A105-H134 VanDerWaalsContact C-CD2 3.45Å; A105-F489 HydrophobicContact CB-CB 3.89Å; A105-F489 HydrophobicContact CB-CG 4.2Å
106	S	94.4	Very high	96.8	Very high	30 Å²	30	24.9 Å²	24.9	21%	0.21	11%	0.114	C	C	.	.			trans	-93.3	149.6	179.2	-65.8	0	0	0	0	109.5	V132 Y133 H134 C491	S106-V132 WeakPolarHBondContact CA-O 3.35Å; S106-Y133 WeakPolarHBondContact OG-CA 3.47Å; S106-H134 PolarHBondContact N-CD2 3.06Å; S106-H134 PolarHBondContact OG-CD2 3.28Å; S106-H134 PolarHBondContact OG-N 3.41Å; S106-C491 WeakPolarHBondContact OG-CB 3.29Å
107	Y	94.1	Very high	96.6	Very high	11 Å²	11	32 Å²	32	4%	0.043	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	144.9	-175.1	-60.8	-65.4	0	0	0	111.5	A77 E80 T83 R84 V85 M103 A105 N109 L110 P131 V132	A77-Y107 HydrophobicContact CB-CD1 3.45Å; A77-Y107 VanDerWaalsContact CB-CD1 3.45Å; A77-Y107 HydrophobicContact CB-CE1 3.98Å; A77-Y107 HydrophobicContact CB-CG 3.75Å; E80-Y107 HydrophobicContact CG-CD1 3.77Å; E80-Y107 HydrophobicContact CG-CE1 4.09Å; T83-Y107 HydrophobicContact CG2-CE2 4.13Å; R84-Y107 PolarHBondContact N-OH 3.03Å; V85-Y107 HydrophobicContact CG2-CE2 3.9Å; M103-Y107 HydrophobicContact CE-CD2 3.61Å; M103-Y107 HydrophobicContact CE-CE2 4.06Å; A105-Y107 HydrophobicContact CB-CE1 4.41Å; A105-Y107 VanDerWaalsContact O-CE2 3.23Å; A105-Y107 WeakPolarHBondContact O-CE2 3.27Å; Y107-N109 VanDerWaalsContact C-N 3.3Å; Y107-N109 PolarHBondContact O-N 3.21Å; Y107-L110 HydrophobicContact CD2-CD1 3.67Å; Y107-L110 HydrophobicContact CE2-CD1 4.27Å; Y107-L110 HydrophobicContact CG-CD1 4.2Å; Y107-P131 CarbonylContact O-C 3.57Å; Y107-P131 WeakPolarHBondContact O-CA 3.36Å; Y107-V132 PolarHBondContact N-O 2.81Å; Y107-V132 PolarHBondContact O-N 2.82Å
108	K	92.6	Very high	96.5	Very high	125 Å²	125	34.4 Å²	34.4	54%	0.543	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	-31.2	174.8	177.6	172.7	157.9	-142.4	0	113.4	E79 G130	E79-K108 IonicContact OE1-NZ 2.63Å; E79-K108 WeakPolarHBondContact OE2-CD 3.26Å; E79-K108 WeakPolarHBondContact OE2-CE 3.38Å; E79-K108 IonicContact OE2-NZ 2.83Å; E79-K108 PolarHBondContact OE2-NZ 2.93Å; K108-G130 CarbonylContact C-O 3.55Å; K108-G130 CarbonylContact O-C 3.56Å; K108-G130 WeakPolarHBondContact O-CA 3.27Å; K108-G130 PolarHBondContact O-N 2.81Å
109	N	94.3	Very high	96.4	Very high	34 Å²	34	40.2 Å²	40.2	18%	0.182	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	143.9	174	-69.2	-58.3	0	0	0	107.9	E79 Y107 L128 K129 G130	E79-N109 PolarHBondContact OE1-ND2 2.79Å; Y107-N109 VanDerWaalsContact C-N 3.3Å; Y107-N109 PolarHBondContact O-N 3.21Å; N109-L128 WeakPolarHBondContact CA-O 3.37Å; N109-K129 VanDerWaalsContact OD1-CA 3.3Å; N109-K129 WeakPolarHBondContact OD1-CA 3.36Å; N109-G130 PolarHBondContact OD1-N 3.05Å; N109-G130 VanDerWaalsContact OD1-N 3.15Å
110	L	96.8	Very high	96.4	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	133.8	175.4	-161.2	69.7	0	0	0	110.1	V75 A77 Y101 M103 Y107 L128 V132	V75-L110 HydrophobicContact CG1-CD1 3.74Å; V75-L110 HydrophobicContact CG1-CD2 3.61Å; V75-L110 HydrophobicContact CG1-CG 3.67Å; A77-L110 HydrophobicContact CB-CD1 4.45Å; Y101-L110 HydrophobicContact CE2-CD2 3.89Å; M103-L110 HydrophobicContact SD-CD2 4.05Å; Y107-L110 HydrophobicContact CD2-CD1 3.67Å; Y107-L110 HydrophobicContact CE2-CD1 4.27Å; Y107-L110 HydrophobicContact CG-CD1 4.2Å; L110-L128 HydrophobicContact CB-CB 4.17Å; L110-L128 HydrophobicContact CD2-CD2 4.45Å; L110-L128 PolarHBondContact N-O 2.73Å; L110-L128 PolarHBondContact O-N 3.07Å; L110-V132 HydrophobicContact CB-CB 4.44Å; L110-V132 HydrophobicContact CB-CG1 4.49Å; L110-V132 HydrophobicContact CB-CG2 3.96Å; L110-V132 HydrophobicContact CD2-CG1 4.27Å
111	K	97.8	Very high	96.4	Very high	52 Å²	52	43 Å²	43	23%	0.226	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	121.7	175.9	176	176.1	60.9	151.1	0	109.6	V75 S76 P78 E113 P125 Y126 I127	V75-K111 WeakPolarHBondContact CA-O 3.37Å; S76-K111 PolarHBondContact N-O 3.47Å; S76-K111 WeakPolarHBondContact O-CA 3.4Å; S76-K111 PolarHBondContact O-N 3.01Å; S76-K111 VanDerWaalsContact OG-CE 3.25Å; S76-K111 WeakPolarHBondContact OG-CE 3.37Å; P78-K111 HydrophobicContact CG-CB 3.99Å; K111-E113 HydrophobicContact CD-CG 4.11Å; K111-E113 VanDerWaalsContact CE-OE2 3.22Å; K111-E113 WeakPolarHBondContact CE-OE2 3.41Å; K111-E113 HydrophobicContact CG-CG 4.11Å; K111-E113 IonicContact NZ-OE2 2.68Å; K111-E113 PolarHBondContact NZ-OE2 2.74Å; K111-P125 HydrophobicContact CD-CB 4.18Å; K111-P125 HydrophobicContact CG-CB 4.04Å; K111-Y126 WeakPolarHBondContact CA-O 3.42Å; K111-I127 HydrophobicContact CB-CD1 3.78Å; K111-I127 HydrophobicContact CD-CD1 3.95Å; K111-I127 HydrophobicContact CG-CD1 3.6Å
112	V	98.5	Very high	96.4	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	109.4	174	-176.7	0	0	0	0	108.7	L39 F50 V73 V75 V114 P125 Y126 L128	L39-V112 HydrophobicContact CD2-CB 4.48Å; L39-V112 HydrophobicContact CD2-CG1 4.33Å; F50-V112 HydrophobicContact CE1-CG1 3.73Å; F50-V112 HydrophobicContact CZ-CG1 3.71Å; V73-V112 HydrophobicContact CG1-CG1 4.39Å; V75-V112 HydrophobicContact CG1-CG2 4.45Å; V75-V112 HydrophobicContact CG2-CG1 4.37Å; V75-V112 HydrophobicContact CG2-CG2 4.27Å; V112-V114 HydrophobicContact CG1-CG2 4.33Å; V112-P125 WeakPolarHBondContact O-CA 3.41Å; V112-Y126 PolarHBondContact N-O 3.42Å; V112-Y126 PolarHBondContact O-N 3.37Å; V112-L128 HydrophobicContact CG2-CD1 4.12Å
113	E	98.5	Very high	96.4	Very high	23 Å²	23	51.8 Å²	51.8	11%	0.107	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	121	174.6	-72.9	179.6	76.3	0	0	109.6	V73 K74 K111 K115 H120 P125	V73-E113 CarbonylContact C-O 3.57Å; V73-E113 VanDerWaalsContact CA-O 3.26Å; V73-E113 WeakPolarHBondContact CA-O 3.44Å; K74-E113 HydrophobicContact CB-CB 4.38Å; K74-E113 PolarHBondContact N-O 2.88Å; K74-E113 PolarHBondContact O-N 3.38Å; K111-E113 HydrophobicContact CD-CG 4.11Å; K111-E113 VanDerWaalsContact CE-OE2 3.22Å; K111-E113 WeakPolarHBondContact CE-OE2 3.41Å; K111-E113 HydrophobicContact CG-CG 4.11Å; K111-E113 IonicContact NZ-OE2 2.68Å; K111-E113 PolarHBondContact NZ-OE2 2.74Å; E113-K115 VanDerWaalsContact OE1-CE 3.26Å; E113-K115 WeakPolarHBondContact OE1-CE 3.38Å; E113-K115 IonicContact OE1-NZ 2.84Å; E113-K115 PolarHBondContact OE1-NZ 2.94Å; E113-H120 IonicContact OE1-CE1 2.9Å; E113-P125 HydrophobicContact CG-CB 3.96Å
114	V	98.7	Very high	96.5	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	124.7	168.7	-173.1	0	0	0	0	108.4	I34 F50 I52 F71 Q72 V73 V112 V121 S124	I34-V114 HydrophobicContact CD1-CB 3.82Å; I34-V114 HydrophobicContact CD1-CG1 3.86Å; I34-V114 HydrophobicContact CD1-CG2 3.94Å; F50-V114 HydrophobicContact CE2-CG2 3.92Å; F50-V114 HydrophobicContact CZ-CG2 3.85Å; I52-V114 HydrophobicContact CD1-CG1 3.62Å; I52-V114 HydrophobicContact CG1-CG1 4.43Å; F71-V114 HydrophobicContact CB-CG1 4.5Å; F71-V114 HydrophobicContact CD1-CG1 4.37Å; Q72-V114 WeakPolarHBondContact O-CA 3.28Å; V73-V114 HydrophobicContact CG1-CG2 4.43Å; V73-V114 HydrophobicContact CG2-CG1 4.25Å; V73-V114 HydrophobicContact CG2-CG2 4.18Å; V112-V114 HydrophobicContact CG1-CG2 4.33Å; V114-V121 HydrophobicContact CB-CB 4.38Å; V114-V121 HydrophobicContact CG1-CB 3.97Å; V114-V121 HydrophobicContact CG1-CG2 4.11Å; V114-V121 PolarHBondContact O-N 3.3Å; V114-S124 PolarHBondContact N-OG 3.35Å; V114-S124 VanDerWaalsContact O-CB 3.27Å; V114-S124 WeakPolarHBondContact O-CB 3.35Å; V114-S124 PolarHBondContact O-OG 2.87Å
115	K	98.5	Very high	96.7	Very high	55 Å²	55	49.7 Å²	49.7	24%	0.239	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	146.9	-177.3	-67.5	179	-179.1	169.5	0	112.4	F71 Q72 E113 Q119 H120	F71-K115 WeakPolarHBondContact CA-O 3.06Å; Q72-K115 PolarHBondContact N-O 2.86Å; Q72-K115 PolarHBondContact O-N 2.87Å; E113-K115 VanDerWaalsContact OE1-CE 3.26Å; E113-K115 WeakPolarHBondContact OE1-CE 3.38Å; E113-K115 IonicContact OE1-NZ 2.84Å; E113-K115 PolarHBondContact OE1-NZ 2.94Å; K115-Q119 CarbonylContact C-O 3.54Å; K115-Q119 WeakPolarHBondContact CA-O 3.38Å; K115-Q119 WeakPolarHBondContact CB-O 3.36Å; K115-H120 WeakPolarHBondContact CE-CE1 3.37Å; K115-H120 WeakPolarHBondContact CE-NE2 3.21Å
116	F	97.6	Very high	96.9	Very high	26 Å²	26	50.6 Å²	50.6	11%	0.114	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	122.1	166.2	171.2	-97.3	0	0	0	107.7	L27 P29 V70 F71 G118 Q119 V121	L27-F116 HydrophobicContact CB-CE1 4.45Å; L27-F116 HydrophobicContact CB-CE2 4.38Å; L27-F116 HydrophobicContact CB-CZ 4.1Å; L27-F116 HydrophobicContact CD1-CD2 4.31Å; L27-F116 HydrophobicContact CD1-CE2 4.23Å; L27-F116 HydrophobicContact CD2-CB 4.28Å; L27-F116 HydrophobicContact CD2-CD1 3.85Å; L27-F116 HydrophobicContact CD2-CD2 3.89Å; L27-F116 HydrophobicContact CD2-CE1 4.06Å; L27-F116 HydrophobicContact CD2-CE2 4.14Å; L27-F116 HydrophobicContact CD2-CG 3.73Å; L27-F116 HydrophobicContact CD2-CZ 4.21Å; P29-F116 HydrophobicContact CG-CB 4.06Å; P29-F116 HydrophobicContact CG-CD1 3.59Å; P29-F116 HydrophobicContact CG-CE1 4.48Å; P29-F116 HydrophobicContact CG-CG 4.22Å; V70-F116 HydrophobicContact CB-CD2 4.06Å; V70-F116 HydrophobicContact CB-CE2 4.08Å; V70-F116 HydrophobicContact CG1-CE2 4.42Å; V70-F116 WeakPolarHBondContact O-CD2 3.21Å; F71-F116 HydrophobicContact CD1-CB 4.22Å; F71-F116 HydrophobicContact CE1-CB 4.22Å; F116-G118 PolarHBondContact O-N 3.31Å; F116-G118 VanDerWaalsContact O-N 3.12Å; F116-Q119 PolarHBondContact N-O 2.94Å; F116-Q119 WeakPolarHBondContact O-CB 3.31Å; F116-Q119 PolarHBondContact O-N 3.35Å; F116-V121 HydrophobicContact CB-CG2 3.87Å
117	Q	95.1	Very high	97	Very high	151 Å²	151	53.2 Å²	53.2	71%	0.706	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.5	40.6	-177.1	-61.6	-178.1	-19.1	0	0	113.6	Q119	Q117-Q119 PolarHBondContact O-N 2.93Å
118	G	95.6	Very high	97.1	Very high	51 Å²	51	52.9 Å²	52.9	53%	0.526	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.2	-13.7	-178.8	0	0	0	0	0	115.6	F116	F116-G118 PolarHBondContact O-N 3.31Å; F116-G118 VanDerWaalsContact O-N 3.12Å
119	Q	97.3	Very high	97.1	Very high	122 Å²	122	54.8 Å²	54.8	57%	0.57	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.2	143.5	177.4	-59.8	-175.4	6.7	0	0	111.4	P29 K115 F116 Q117	P29-Q119 HydrophobicContact CB-CB 4.49Å; P29-Q119 HydrophobicContact CG-CB 4.37Å; K115-Q119 CarbonylContact C-O 3.54Å; K115-Q119 WeakPolarHBondContact CA-O 3.38Å; K115-Q119 WeakPolarHBondContact CB-O 3.36Å; F116-Q119 PolarHBondContact N-O 2.94Å; F116-Q119 WeakPolarHBondContact O-CB 3.31Å; F116-Q119 PolarHBondContact O-N 3.35Å; Q117-Q119 PolarHBondContact O-N 2.93Å
120	H	98.3	Very high	96.6	Very high	74 Å²	74	54.5 Å²	54.5	34%	0.343	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	137.9	176.4	-77	-82.4	0	0	0	111.5	P29 E113 K115 S124	P29-H120 WeakPolarHBondContact CB-O 3.19Å; E113-H120 IonicContact OE1-CE1 2.9Å; K115-H120 WeakPolarHBondContact CE-CE1 3.37Å; K115-H120 WeakPolarHBondContact CE-NE2 3.21Å; H120-S124 VanDerWaalsContact CB-O 3.24Å; H120-S124 WeakPolarHBondContact CB-O 3.44Å; H120-S124 VanDerWaalsContact CG-O 3.31Å; H120-S124 PolarHBondContact ND1-O 2.97Å; H120-S124 PolarHBondContact ND1-OG 2.58Å
121	V	98.4	Very high	96.4	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-96.6	132.3	178.6	-176.9	0	0	0	0	109.7	P29 I34 I52 F71 V114 F116 K123 S124	P29-V121 HydrophobicContact CB-CG2 4.22Å; P29-V121 WeakPolarHBondContact O-CA 3.47Å; I34-V121 HydrophobicContact CD1-CB 4.1Å; I34-V121 HydrophobicContact CD1-CG1 3.91Å; I34-V121 HydrophobicContact CG1-CG1 4.31Å; I52-V121 HydrophobicContact CG2-CG1 4.47Å; F71-V121 HydrophobicContact CD1-CG2 3.79Å; F71-V121 HydrophobicContact CE1-CB 4.46Å; F71-V121 HydrophobicContact CE1-CG1 3.93Å; F71-V121 HydrophobicContact CE1-CG2 3.72Å; V114-V121 HydrophobicContact CB-CB 4.38Å; V114-V121 HydrophobicContact CG1-CB 3.97Å; V114-V121 HydrophobicContact CG1-CG2 4.11Å; V114-V121 PolarHBondContact O-N 3.3Å; F116-V121 HydrophobicContact CB-CG2 3.87Å; V121-K123 PolarHBondContact O-N 2.92Å; V121-S124 WeakPolarHBondContact O-CB 3.37Å; V121-S124 PolarHBondContact O-N 3.46Å
122	A	97.6	Very high	96.2	Very high	34 Å²	34	54.1 Å²	54.1	28%	0.281	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.6	-129.7	-176.4	0	0	0	0	0	111.5	P29 S32 I34 S124 Y126	P29-A122 PolarHBondContact O-N 3.44Å; S32-A122 VanDerWaalsContact O-CB 3.3Å; S32-A122 WeakPolarHBondContact O-CB 3.46Å; I34-A122 HydrophobicContact CB-CB 4.39Å; I34-A122 HydrophobicContact CD1-CB 4.06Å; I34-A122 HydrophobicContact CG1-CB 3.88Å; A122-S124 VanDerWaalsContact C-N 3.26Å; A122-S124 PolarHBondContact O-N 3.29Å; A122-Y126 WeakPolarHBondContact CB-OH 3.26Å
123	K	97.4	Very high	96.1	Very high	176 Å²	176	54.4 Å²	54.4	77%	0.765	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	12.9	180	-57.2	178.6	-178.2	176.3	0	114.1	V121 P125 Y126	V121-K123 PolarHBondContact O-N 2.92Å; K123-P125 CarbonylContact O-C 3.36Å; K123-Y126 HydrophobicContact CB-CE1 3.83Å; K123-Y126 PolarHBondContact N-OH 3.27Å; K123-Y126 VanDerWaalsContact N-OH 3.15Å
124	S	97.5	Very high	95.9	Very high	10 Å²	10	53.5 Å²	53.5	7%	0.07	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-58	139.5	177.3	174.8	0	0	0	0	110.8	V114 H120 V121 A122	V114-S124 PolarHBondContact N-OG 3.35Å; V114-S124 VanDerWaalsContact O-CB 3.27Å; V114-S124 WeakPolarHBondContact O-CB 3.35Å; V114-S124 PolarHBondContact O-OG 2.87Å; H120-S124 VanDerWaalsContact CB-O 3.24Å; H120-S124 WeakPolarHBondContact CB-O 3.44Å; H120-S124 VanDerWaalsContact CG-O 3.31Å; H120-S124 PolarHBondContact ND1-O 2.97Å; H120-S124 PolarHBondContact ND1-OG 2.58Å; V121-S124 WeakPolarHBondContact O-CB 3.37Å; V121-S124 PolarHBondContact O-N 3.46Å; A122-S124 VanDerWaalsContact C-N 3.26Å; A122-S124 PolarHBondContact O-N 3.29Å
125	P	97.9	Very high	95.6	Very high	55 Å²	55	54 Å²	54	36%	0.357	28%	0.283	S	S	.	.	S	Bend	cis	-75.3	142.2	-0.7	30.8	-33.7	0	0	0	113.6	K111 V112 E113 K123 I127	K111-P125 HydrophobicContact CD-CB 4.18Å; K111-P125 HydrophobicContact CG-CB 4.04Å; V112-P125 WeakPolarHBondContact O-CA 3.41Å; E113-P125 HydrophobicContact CG-CB 3.96Å; K123-P125 CarbonylContact O-C 3.36Å; P125-I127 HydrophobicContact CB-CD1 4.43Å
126	Y	97.9	Very high	95.3	Very high	34 Å²	34	54.5 Å²	54.5	13%	0.133	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	123.8	169.8	-59.8	-94.5	0	0	0	109.5	I34 L39 K111 V112 A122 K123	I34-Y126 HydrophobicContact CB-CE2 4.33Å; I34-Y126 WeakPolarHBondContact CB-OH 3.45Å; I34-Y126 HydrophobicContact CD1-CE2 3.84Å; I34-Y126 HydrophobicContact CG2-CE2 4.2Å; L39-Y126 HydrophobicContact CD1-CD1 4.03Å; L39-Y126 HydrophobicContact CD1-CE1 4.03Å; L39-Y126 HydrophobicContact CD1-CG 4.37Å; L39-Y126 HydrophobicContact CD2-CD1 4.38Å; L39-Y126 HydrophobicContact CD2-CD2 4.21Å; L39-Y126 HydrophobicContact CD2-CG 3.97Å; K111-Y126 WeakPolarHBondContact CA-O 3.42Å; V112-Y126 PolarHBondContact N-O 3.42Å; V112-Y126 PolarHBondContact O-N 3.37Å; A122-Y126 WeakPolarHBondContact CB-OH 3.26Å; K123-Y126 HydrophobicContact CB-CE1 3.83Å; K123-Y126 PolarHBondContact N-OH 3.27Å; K123-Y126 VanDerWaalsContact N-OH 3.15Å
127	I	96.9	Very high	95.1	Very high	84 Å²	84	53.5 Å²	53.5	43%	0.431	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	106.7	177.2	-51.9	-59.2	0	0	0	108.8	K111 P125 K129	K111-I127 HydrophobicContact CB-CD1 3.78Å; K111-I127 HydrophobicContact CD-CD1 3.95Å; K111-I127 HydrophobicContact CG-CD1 3.6Å; P125-I127 HydrophobicContact CB-CD1 4.43Å; I127-K129 HydrophobicContact CG2-CG 3.97Å; I127-K129 PolarHBondContact O-N 3.31Å
128	L	96.3	Very high	95	Very high	5 Å²	5	49.9 Å²	49.9	3%	0.026	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	99	172	-75.8	62.7	0	0	0	106.8	L39 A41 N109 L110 V112 V132	L39-L128 WeakPolarHBondContact O-CG 3.26Å; A41-L128 HydrophobicContact CB-CB 4.13Å; N109-L128 WeakPolarHBondContact CA-O 3.37Å; L110-L128 HydrophobicContact CB-CB 4.17Å; L110-L128 HydrophobicContact CD2-CD2 4.45Å; L110-L128 PolarHBondContact N-O 2.73Å; L110-L128 PolarHBondContact O-N 3.07Å; V112-L128 HydrophobicContact CG2-CD1 4.12Å; L128-V132 HydrophobicContact CB-CG2 4.03Å
129	K	92.7	Very high	95	Very high	164 Å²	164	47.6 Å²	47.6	71%	0.713	25%	0.246	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-81.1	139.6	-179.4	-65.5	-175.4	-178.5	-179.7	0	111.1	A41 N109 I127	A41-K129 WeakPolarHBondContact CB-O 3.47Å; N109-K129 VanDerWaalsContact OD1-CA 3.3Å; N109-K129 WeakPolarHBondContact OD1-CA 3.36Å; I127-K129 HydrophobicContact CG2-CG 3.97Å; I127-K129 PolarHBondContact O-N 3.31Å
130	G	83.2	Confident	94.9	Very high	28 Å²	28	42 Å²	42	29%	0.289	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	98.2	168.7	177.1	0	0	0	0	0	112.4	K108 N109 V132	K108-G130 CarbonylContact C-O 3.55Å; K108-G130 CarbonylContact O-C 3.56Å; K108-G130 WeakPolarHBondContact O-CA 3.27Å; K108-G130 PolarHBondContact O-N 2.81Å; N109-G130 PolarHBondContact OD1-N 3.05Å; N109-G130 VanDerWaalsContact OD1-N 3.15Å; G130-V132 VanDerWaalsContact O-CG2 3.27Å; G130-V132 WeakPolarHBondContact O-CG2 3.36Å; G130-V132 PolarHBondContact O-N 2.84Å
131	P	92	Very high	94.7	Very high	44 Å²	44	40.1 Å²	40.1	29%	0.286	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	113.7	-176.3	28	-34.8	0	0	0	110.3	Y107 Y133 H494	Y107-P131 CarbonylContact O-C 3.57Å; Y107-P131 WeakPolarHBondContact O-CA 3.36Å; P131-Y133 HydrophobicContact CB-CE1 3.85Å; P131-Y133 HydrophobicContact CB-CE2 4.15Å; P131-Y133 WeakPolarHBondContact CB-OH 3.12Å; P131-Y133 HydrophobicContact CG-CE2 4.15Å; P131-Y133 WeakPolarHBondContact CG-OH 3.09Å; P131-H494 HydrophobicContact CG-CB 4.23Å
132	V	95.3	Very high	94.6	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	103.4	177.3	-169	0	0	0	0	107.7	A41 R48 M103 S106 Y107 L110 L128 G130	A41-V132 HydrophobicContact CB-CG2 4.19Å; R48-V132 VanDerWaalsContact CZ-CG1 3.49Å; M103-V132 HydrophobicContact CE-CB 4.21Å; M103-V132 HydrophobicContact CE-CG1 3.75Å; M103-V132 VanDerWaalsContact CE-O 3.3Å; M103-V132 WeakPolarHBondContact CE-O 3.39Å; M103-V132 HydrophobicContact SD-CG1 3.77Å; S106-V132 WeakPolarHBondContact CA-O 3.35Å; Y107-V132 PolarHBondContact N-O 2.81Å; Y107-V132 PolarHBondContact O-N 2.82Å; L110-V132 HydrophobicContact CB-CB 4.44Å; L110-V132 HydrophobicContact CB-CG1 4.49Å; L110-V132 HydrophobicContact CB-CG2 3.96Å; L110-V132 HydrophobicContact CD2-CG1 4.27Å; L128-V132 HydrophobicContact CB-CG2 4.03Å; G130-V132 VanDerWaalsContact O-CG2 3.27Å; G130-V132 WeakPolarHBondContact O-CG2 3.36Å; G130-V132 PolarHBondContact O-N 2.84Å
133	Y	95.5	Very high	94.5	Very high	6 Å²	6	47.4 Å²	47.4	2%	0.024	24%	0.243	C	C	.	.			trans	-83.1	141.3	-175	-61.1	-58.6	0	0	0	113	R48 S106 P131 C137 C139 H494 R495	R48-Y133 PolarHBondContact NH2-O 2.62Å; S106-Y133 WeakPolarHBondContact OG-CA 3.47Å; P131-Y133 HydrophobicContact CB-CE1 3.85Å; P131-Y133 HydrophobicContact CB-CE2 4.15Å; P131-Y133 WeakPolarHBondContact CB-OH 3.12Å; P131-Y133 HydrophobicContact CG-CE2 4.15Å; P131-Y133 WeakPolarHBondContact CG-OH 3.09Å; Y133-C137 HydrophobicContact CD1-CB 4.25Å; Y133-C137 WeakPolarHBondContact CD1-SG 3.27Å; Y133-C137 HydrophobicContact CG-CB 4.47Å; Y133-C139 HydrophobicContact CD1-CB 4.36Å; Y133-C139 HydrophobicContact CD2-CB 4.26Å; Y133-C139 HydrophobicContact CE1-CB 4.14Å; Y133-C139 HydrophobicContact CE2-CB 4.03Å; Y133-C139 HydrophobicContact CG-CB 4.42Å; Y133-C139 PolarHBondContact OH-SG 3.09Å; Y133-H494 VanDerWaalsContact OH-CB 3.27Å; Y133-H494 WeakPolarHBondContact OH-CB 3.26Å; Y133-H494 PolarHBondContact OH-N 3Å; Y133-H494 PolarHBondContact OH-ND1 2.94Å; Y133-R495 HydrophobicContact CE2-CG 4.34Å
134	H	94.6	Very high	94.4	Very high	5 Å²	5	40.7 Å²	40.7	2%	0.023	22%	0.219	C	C	.	.			trans	-83.8	167.8	167.3	79.4	93.3	0	0	0	112	M103 A105 S106 N136 C137 D487 F489	M103-H134 HydrophobicContact CB-CB 3.9Å; A105-H134 VanDerWaalsContact C-CD2 3.45Å; S106-H134 PolarHBondContact N-CD2 3.06Å; S106-H134 PolarHBondContact OG-CD2 3.28Å; S106-H134 PolarHBondContact OG-N 3.41Å; H134-N136 VanDerWaalsContact C-N 3.33Å; H134-N136 PolarHBondContact ND1-N 2.91Å; H134-N136 VanDerWaalsContact ND1-N 3.14Å; H134-N136 PolarHBondContact O-N 2.83Å; H134-C137 VanDerWaalsContact O-CB 3.28Å; H134-C137 WeakPolarHBondContact O-CB 3.5Å; H134-C137 PolarHBondContact O-N 3.38Å; H134-C137 VanDerWaalsContact O-N 3.14Å; H134-D487 IonicContact CE1-OD1 3.78Å; H134-D487 IonicContact CE1-OD2 2.93Å; H134-D487 PolarHBondContact CE1-OD2 3.44Å; H134-D487 IonicContact NE2-OD2 3.93Å; H134-D487 PolarHBondContact NE2-OD2 3.47Å; H134-F489 PolarHBondContact NE2-O 3.21Å
135	E	93.1	Very high	94.3	Very high	11 Å²	11	43.1 Å²	43.1	5%	0.051	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-39	-172.9	175.3	49	-141.4	0	0	115	P46 C137 S220 R223 K224	P46-E135 HydrophobicContact CB-CG 4.17Å; P46-E135 WeakPolarHBondContact CD-OE2 3.39Å; P46-E135 HydrophobicContact CG-CG 4.37Å; P46-E135 WeakPolarHBondContact CG-OE2 3.42Å; E135-C137 VanDerWaalsContact C-N 3.33Å; E135-S220 WeakPolarHBondContact OE1-CB 3.35Å; E135-S220 PolarHBondContact OE1-OG 2.5Å; E135-R223 PolarHBondContact O-NE 3.28Å; E135-R223 IonicContact OE1-CZ 2.69Å; E135-R223 IonicContact OE1-NH2 2.79Å; E135-R223 PolarHBondContact OE1-NH2 2.87Å; E135-K224 IonicContact OE1-NZ 3.21Å; E135-K224 PolarHBondContact OE1-NZ 3.2Å; E135-K224 WeakPolarHBondContact OE2-CE 3.5Å; E135-K224 IonicContact OE2-NZ 2.81Å; E135-K224 PolarHBondContact OE2-NZ 2.88Å
136	N	92.2	Very high	94.2	Very high	64 Å²	64	41.8 Å²	41.8	34%	0.342	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-1.6	-175.3	-54.6	-32.1	0	0	0	112.7	H134 D138 R223	H134-N136 VanDerWaalsContact C-N 3.33Å; H134-N136 PolarHBondContact ND1-N 2.91Å; H134-N136 VanDerWaalsContact ND1-N 3.14Å; H134-N136 PolarHBondContact O-N 2.83Å; N136-D138 PolarHBondContact O-N 3.26Å; N136-R223 WeakPolarHBondContact O-CD 3.34Å
137	C	93.1	Very high	94.2	Very high	5 Å²	5	40.3 Å²	40.3	3%	0.034	23%	0.227	C	C	.	.			trans	-69.1	116.6	177.7	-177.4	0	0	0	0	111.6	Y133 H134 E135 C139 C491	Y133-C137 HydrophobicContact CD1-CB 4.25Å; Y133-C137 WeakPolarHBondContact CD1-SG 3.27Å; Y133-C137 HydrophobicContact CG-CB 4.47Å; H134-C137 VanDerWaalsContact O-CB 3.28Å; H134-C137 WeakPolarHBondContact O-CB 3.5Å; H134-C137 PolarHBondContact O-N 3.38Å; H134-C137 VanDerWaalsContact O-N 3.14Å; E135-C137 VanDerWaalsContact C-N 3.33Å; C137-C139 VanDerWaalsContact C-N 3.33Å; C137-C139 PolarHBondContact O-N 3.48Å; C137-C491 WeakPolarHBondContact CA-SG 3.45Å; C137-C491 HydrophobicContact CB-CB 3.71Å; C137-C491 WeakPolarHBondContact CB-SG 3.36Å; C137-C491 WeakPolarHBondContact SG-CB 3.35Å; C137-C491 CovalentContact SG-SG 2.01Å; C137-C491 PolarHBondContact SG-SG 3.34Å
138	D	92.8	Very high	94.2	Very high	75 Å²	75	37.2 Å²	37.2	40%	0.401	21%	0.211	S	C	.	.			trans	-77.6	81.1	172.6	177.8	37	0	0	0	111.1	N136 P140 R223 K496	N136-D138 PolarHBondContact O-N 3.26Å; D138-P140 WeakPolarHBondContact OD1-CD 3.49Å; D138-R223 HydrophobicContact CB-CG 4.32Å; D138-K496 PolarHBondContact O-NZ 2.83Å; D138-K496 IonicContact OD2-NZ 2.8Å; D138-K496 PolarHBondContact OD2-NZ 2.86Å
139	C	94.1	Very high	94.2	Very high	3 Å²	3	43.8 Å²	43.8	2%	0.02	24%	0.242	C	C	.	.			trans	-139.7	68.3	176.8	-160.2	0	0	0	0	113.2	Y133 C137 L141 R223 C493 H494 R495	Y133-C139 HydrophobicContact CD1-CB 4.36Å; Y133-C139 HydrophobicContact CD2-CB 4.26Å; Y133-C139 HydrophobicContact CE1-CB 4.14Å; Y133-C139 HydrophobicContact CE2-CB 4.03Å; Y133-C139 HydrophobicContact CG-CB 4.42Å; Y133-C139 PolarHBondContact OH-SG 3.09Å; C137-C139 VanDerWaalsContact C-N 3.33Å; C137-C139 PolarHBondContact O-N 3.48Å; C139-L141 PolarHBondContact O-N 3.28Å; C139-R223 CarbonylContact C-O 3.58Å; C139-R223 PolarHBondContact N-O 3.18Å; C139-R223 VanDerWaalsContact N-O 3.15Å; C139-C493 WeakPolarHBondContact CA-SG 3.28Å; C139-C493 HydrophobicContact CB-CB 3.52Å; C139-C493 WeakPolarHBondContact CB-SG 3.34Å; C139-C493 WeakPolarHBondContact SG-CA 3.45Å; C139-C493 WeakPolarHBondContact SG-CB 3.41Å; C139-C493 CovalentContact SG-SG 2.05Å; C139-C493 PolarHBondContact SG-SG 3.49Å; C139-H494 PolarHBondContact SG-N 2.97Å; C139-R495 PolarHBondContact O-NH1 3.39Å
140	P	95.4	Very high	94.3	Very high	4 Å²	4	38.9 Å²	38.9	3%	0.026	22%	0.222	C	C	.	.			trans	-66.1	134.3	-175.4	24.1	-32.9	0	0	0	112	D138 Q142 T222 R223 K224	D138-P140 WeakPolarHBondContact OD1-CD 3.49Å; P140-Q142 PolarHBondContact O-N 3.48Å; P140-Q142 PolarHBondContact O-NE2 2.86Å; P140-T222 WeakPolarHBondContact CB-O 3.33Å; P140-R223 WeakPolarHBondContact CA-O 3.44Å; P140-R223 VanDerWaalsContact N-O 3.1Å; P140-K224 WeakPolarHBondContact CA-O 3.46Å
141	L	95.3	Very high	94.9	Very high	35 Å²	35	37.9 Å²	37.9	18%	0.183	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-66.2	123.8	166.3	-170.3	57	0	0	0	109.1	C139 A146 W147 K224 V225 K226	C139-L141 PolarHBondContact O-N 3.28Å; L141-A146 HydrophobicContact CD2-CB 4.1Å; L141-W147 HydrophobicContact CD2-CB 3.92Å; L141-K224 PolarHBondContact N-O 2.93Å; L141-V225 WeakPolarHBondContact O-CA 3.44Å; L141-K226 PolarHBondContact O-N 3.05Å
142	Q	95	Very high	95.2	Very high	98 Å²	98	41.5 Å²	41.5	46%	0.458	23%	0.226	S	C	.	.	S	Bend	trans	-73.7	-32	-174.9	-64	-58.4	-60.4	0	0	112.6	P140	P140-Q142 PolarHBondContact O-N 3.48Å; P140-Q142 PolarHBondContact O-NE2 2.86Å
143	D	95.4	Very high	95.3	Very high	89 Å²	89	42.3 Å²	42.3	48%	0.476	23%	0.232	S	C	.	.			trans	-89.5	106.5	175.9	-176.4	-10.7	0	0	0	109.5	A145 A146 W147	D143-A145 VanDerWaalsContact C-N 3.33Å; D143-A145 WeakPolarHBondContact OD1-CB 3.28Å; D143-A145 PolarHBondContact OD1-N 3.46Å; D143-A146 HydrophobicContact CB-CB 3.91Å; D143-A146 PolarHBondContact OD1-N 2.87Å; D143-A146 VanDerWaalsContact OD1-N 3.14Å; D143-W147 PolarHBondContact O-N 3.02Å; D143-W147 VanDerWaalsContact O-N 3.14Å
144	S	95.6	Very high	95.3	Very high	36 Å²	36	44.8 Å²	44.8	25%	0.252	25%	0.249	S	C	.	.	H	α-helix	trans	-70.1	-27.9	178.1	48.9	0	0	0	0	113.4	W147 L148 F457	S144-W147 PolarHBondContact O-N 2.75Å; S144-L148 WeakPolarHBondContact O-CG 3.49Å; S144-L148 PolarHBondContact O-N 2.81Å; S144-F457 VanDerWaalsContact CB-CZ 3.43Å
145	A	96.3	Very high	95.3	Very high	60 Å²	60	52.7 Å²	52.7	50%	0.496	29%	0.285	S	S	.	.	H	α-helix	trans	-69.7	-42.4	176.7	0	0	0	0	0	110.3	D143 W147 L148 Q149	D143-A145 VanDerWaalsContact C-N 3.33Å; D143-A145 WeakPolarHBondContact OD1-CB 3.28Å; D143-A145 PolarHBondContact OD1-N 3.46Å; A145-W147 VanDerWaalsContact C-N 3.32Å; A145-W147 PolarHBondContact O-N 2.89Å; A145-L148 PolarHBondContact O-N 2.82Å; A145-Q149 PolarHBondContact O-N 2.69Å
146	A	96.1	Very high	95.5	Very high	27 Å²	27	56.8 Å²	56.8	22%	0.223	31%	0.311	C	S	.	.	H	α-helix	trans	-60.5	-41.5	171.5	0	0	0	0	0	111.8	L141 D143 Q149 E150	L141-A146 HydrophobicContact CD2-CB 4.1Å; D143-A146 HydrophobicContact CB-CB 3.91Å; D143-A146 PolarHBondContact OD1-N 2.87Å; D143-A146 VanDerWaalsContact OD1-N 3.14Å; A146-Q149 PolarHBondContact O-N 3.15Å; A146-E150 WeakPolarHBondContact O-CG 3.33Å; A146-E150 PolarHBondContact O-N 2.8Å
147	W	97.1	Very high	95.8	Very high	3 Å²	3	55 Å²	55	1%	0.011	30%	0.302	C	S	.	.	H	α-helix	trans	-61	-46.3	176.6	-174.2	81.4	0	0	0	112.4	L141 D143 S144 A145 Q149 E150 M151 L221 V225 F453 F457	L141-W147 HydrophobicContact CD2-CB 3.92Å; D143-W147 PolarHBondContact O-N 3.02Å; D143-W147 VanDerWaalsContact O-N 3.14Å; S144-W147 PolarHBondContact O-N 2.75Å; A145-W147 VanDerWaalsContact C-N 3.32Å; A145-W147 PolarHBondContact O-N 2.89Å; W147-Q149 VanDerWaalsContact C-N 3.3Å; W147-Q149 PolarHBondContact O-N 2.85Å; W147-E150 PolarHBondContact O-N 2.98Å; W147-M151 HydrophobicContact CD2-CG 3.92Å; W147-M151 HydrophobicContact CE3-CG 4.31Å; W147-M151 HydrophobicContact CG-CG 4.45Å; W147-M151 HydrophobicContact CH2-CG 4.1Å; W147-M151 HydrophobicContact CZ2-CE 4.34Å; W147-M151 HydrophobicContact CZ2-CG 3.69Å; W147-M151 HydrophobicContact CZ2-SD 4.29Å; W147-M151 HydrophobicContact CZ3-CG 4.37Å; W147-M151 WeakPolarHBondContact O-CB 3.4Å; W147-M151 VanDerWaalsContact O-CG 3.31Å; W147-M151 WeakPolarHBondContact O-CG 3.19Å; W147-M151 PolarHBondContact O-N 2.83Å; W147-L221 HydrophobicContact CH2-CD2 4.25Å; W147-L221 HydrophobicContact CZ2-CD2 4.44Å; W147-V225 HydrophobicContact CB-CB 4.2Å; W147-V225 HydrophobicContact CB-CG2 3.66Å; W147-V225 HydrophobicContact CD2-CB 3.84Å; W147-V225 HydrophobicContact CD2-CG1 3.95Å; W147-V225 HydrophobicContact CD2-CG2 3.98Å; W147-V225 HydrophobicContact CE3-CG1 4.33Å; W147-V225 HydrophobicContact CE3-CG2 4.4Å; W147-V225 HydrophobicContact CG-CB 3.65Å; W147-V225 HydrophobicContact CG-CG1 4.3Å; W147-V225 HydrophobicContact CG-CG2 3.65Å; W147-V225 HydrophobicContact CZ2-CG1 4.28Å; W147-F453 HydrophobicContact CH2-CB 4.27Å; W147-F457 HydrophobicContact CE3-CB 4.4Å; W147-F457 HydrophobicContact CE3-CD1 4.11Å; W147-F457 HydrophobicContact CE3-CD2 4.05Å; W147-F457 HydrophobicContact CE3-CE1 4.49Å; W147-F457 HydrophobicContact CE3-CE2 4.46Å; W147-F457 AromaticContact CE3-CG 3.88Å; W147-F457 HydrophobicContact CE3-CG 3.88Å; W147-F457 HydrophobicContact CH2-CB 3.82Å; W147-F457 HydrophobicContact CH2-CD2 4.39Å; W147-F457 HydrophobicContact CH2-CG 4.14Å; W147-F457 HydrophobicContact CZ3-CB 3.43Å; W147-F457 VanDerWaalsContact CZ3-CB 3.43Å; W147-F457 AromaticContact CZ3-CD1 3.87Å; W147-F457 HydrophobicContact CZ3-CD1 3.87Å; W147-F457 AromaticContact CZ3-CD2 3.83Å; W147-F457 HydrophobicContact CZ3-CD2 3.83Å; W147-F457 AromaticContact CZ3-CG 3.39Å; W147-F457 HydrophobicContact CZ3-CG 3.39Å
148	L	97.4	Very high	96	Very high	19 Å²	19	57 Å²	57	10%	0.099	32%	0.318	C	S	.	.	H	α-helix	trans	-59	-41.4	176.6	-76	169.8	0	0	0	112	S144 A145 N152 C153 F457 K458	S144-L148 WeakPolarHBondContact O-CG 3.49Å; S144-L148 PolarHBondContact O-N 2.81Å; A145-L148 PolarHBondContact O-N 2.82Å; L148-N152 PolarHBondContact O-N 2.63Å; L148-C153 HydrophobicContact CB-CB 4.43Å; L148-C153 HydrophobicContact CD2-CB 3.57Å; L148-C153 PolarHBondContact O-N 3.47Å; L148-F457 HydrophobicContact CD1-CD1 4.36Å; L148-F457 HydrophobicContact CD1-CE1 4.02Å; L148-F457 HydrophobicContact CD2-CD1 3.64Å; L148-F457 HydrophobicContact CD2-CE1 4.11Å; L148-F457 HydrophobicContact CG-CD1 4.05Å; L148-F457 HydrophobicContact CG-CE1 3.99Å; L148-K458 HydrophobicContact CD2-CD 4.14Å; L148-K458 HydrophobicContact CD2-CG 4.2Å
149	Q	96.6	Very high	96.3	Very high	144 Å²	144	53.6 Å²	53.6	67%	0.673	30%	0.3	S	S	*	.	H	α-helix	trans	-65.2	-45.8	177.4	-175.9	179.9	1.9	0	0	111.8	A145 A146 W147 M151 N152	A145-Q149 PolarHBondContact O-N 2.69Å; A146-Q149 PolarHBondContact O-N 3.15Å; W147-Q149 VanDerWaalsContact C-N 3.3Å; W147-Q149 PolarHBondContact O-N 2.85Å; Q149-M151 PolarHBondContact O-N 2.91Å; Q149-N152 PolarHBondContact O-N 2.82Å; Q149-N152 VanDerWaalsContact O-N 3.08Å; Q149-N152 PolarHBondContact O-OD1 2.81Å
150	E	94.7	Very high	96.5	Very high	61 Å²	61	53.5 Å²	53.5	29%	0.285	30%	0.299	S	S	.	.	H	α-helix	trans	-65.7	-40.1	-179	-74.3	-56.1	149.1	0	0	112.8	K40 D42 V43 A146 W147 N152	K40-E150 PolarHBondContact NZ-O 3.19Å; D42-E150 HydrophobicContact CB-CB 4.37Å; D42-E150 HydrophobicContact CB-CG 3.94Å; V43-E150 WeakPolarHBondContact CG2-O 3.42Å; A146-E150 WeakPolarHBondContact O-CG 3.33Å; A146-E150 PolarHBondContact O-N 2.8Å; W147-E150 PolarHBondContact O-N 2.98Å; E150-N152 PolarHBondContact O-N 3.26Å
151	M	96.3	Very high	96.6	Very high	7 Å²	7	57.2 Å²	57.2	3%	0.034	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-3.7	174.2	-67	-62.4	-62.7	0	0	113.3	V43 L45 W147 Q149 C153 D450 F453	V43-M151 HydrophobicContact CB-SD 4.28Å; V43-M151 HydrophobicContact CG1-SD 3.86Å; V43-M151 HydrophobicContact CG2-SD 4.19Å; L45-M151 HydrophobicContact CD2-CE 3.86Å; L45-M151 HydrophobicContact CG-CE 4.35Å; W147-M151 HydrophobicContact CD2-CG 3.92Å; W147-M151 HydrophobicContact CE3-CG 4.31Å; W147-M151 HydrophobicContact CG-CG 4.45Å; W147-M151 HydrophobicContact CH2-CG 4.1Å; W147-M151 HydrophobicContact CZ2-CE 4.34Å; W147-M151 HydrophobicContact CZ2-CG 3.69Å; W147-M151 HydrophobicContact CZ2-SD 4.29Å; W147-M151 HydrophobicContact CZ3-CG 4.37Å; W147-M151 WeakPolarHBondContact O-CB 3.4Å; W147-M151 VanDerWaalsContact O-CG 3.31Å; W147-M151 WeakPolarHBondContact O-CG 3.19Å; W147-M151 PolarHBondContact O-N 2.83Å; Q149-M151 PolarHBondContact O-N 2.91Å; M151-C153 VanDerWaalsContact CB-SG 3.57Å; M151-C153 PolarHBondContact O-N 3.49Å; M151-D450 HydrophobicContact CE-CB 3.85Å; M151-F453 HydrophobicContact CE-CB 4.29Å
152	N	96.3	Very high	96.8	Very high	119 Å²	119	60 Å²	60	64%	0.636	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	36.6	-174.3	-69	7.5	0	0	0	112.9	K40 L148 Q149 E150	K40-N152 PolarHBondContact NZ-OD1 3.02Å; L148-N152 PolarHBondContact O-N 2.63Å; Q149-N152 PolarHBondContact O-N 2.82Å; Q149-N152 VanDerWaalsContact O-N 3.08Å; Q149-N152 PolarHBondContact O-OD1 2.81Å; E150-N152 PolarHBondContact O-N 3.26Å
153	C	97.7	Very high	96.9	Very high	18 Å²	18	55.6 Å²	55.6	12%	0.122	30%	0.304	C	S	.	.			trans	-65.9	141.9	-179	-63.5	0	0	0	0	111.3	L148 M151 C454	L148-C153 HydrophobicContact CB-CB 4.43Å; L148-C153 HydrophobicContact CD2-CB 3.57Å; L148-C153 PolarHBondContact O-N 3.47Å; M151-C153 VanDerWaalsContact CB-SG 3.57Å; M151-C153 PolarHBondContact O-N 3.49Å; C153-C454 WeakPolarHBondContact CA-SG 3.22Å; C153-C454 HydrophobicContact CB-CB 3.66Å; C153-C454 WeakPolarHBondContact CB-SG 3.26Å; C153-C454 VanDerWaalsContact SG-CA 3.52Å; C153-C454 WeakPolarHBondContact SG-CB 3.41Å; C153-C454 CovalentContact SG-SG 2.03Å; C153-C454 PolarHBondContact SG-SG 3.02Å
154	P	96.4	Very high	97.1	Very high	58 Å²	58	51.9 Å²	51.9	38%	0.377	28%	0.284	S	S	.	.			trans	-61.4	144.9	173.8	27.5	-35.2	0	0	0	110.4	T156 I157 K458	P154-T156 VanDerWaalsContact C-N 3.28Å; P154-T156 PolarHBondContact O-N 3.18Å; P154-I157 HydrophobicContact CG-CD1 4.07Å; P154-I157 HydrophobicContact CG-CG1 3.7Å; P154-K458 VanDerWaalsContact O-CE 3.32Å; P154-K458 WeakPolarHBondContact O-CE 3.37Å
155	E	95.2	Very high	97.1	Very high	170 Å²	170	53.8 Å²	53.8	79%	0.794	30%	0.302	S	S	*	.	S	Bend	trans	-58.8	-44.1	179.5	-68.2	-175.3	167.1	0	0	111.4	K458	E155-K458 PolarHBondContact O-NZ 3.11Å
156	T	96.1	Very high	97.1	Very high	97 Å²	97	54.3 Å²	54.3	60%	0.595	29%	0.294	S	S	*	.			trans	-132	150.7	178.1	62.8	0	0	0	0	110.9	P154	P154-T156 VanDerWaalsContact C-N 3.28Å; P154-T156 PolarHBondContact O-N 3.18Å
157	I	98.3	Very high	97	Very high	28 Å²	28	53.4 Å²	53.4	14%	0.144	29%	0.285	C	S	.	.			trans	-123.4	115.1	174.6	-61.9	175.5	0	0	0	107.6	P154 Q159 I160 Q161 Y455 K458	P154-I157 HydrophobicContact CG-CD1 4.07Å; P154-I157 HydrophobicContact CG-CG1 3.7Å; I157-Q159 VanDerWaalsContact C-N 3.27Å; I157-Q159 PolarHBondContact O-N 3.31Å; I157-I160 HydrophobicContact CB-CB 4.34Å; I157-I160 HydrophobicContact CB-CD1 3.8Å; I157-I160 HydrophobicContact CB-CG1 4.04Å; I157-I160 HydrophobicContact CD1-CD1 3.8Å; I157-I160 HydrophobicContact CG1-CD1 4.31Å; I157-I160 HydrophobicContact CG2-CD1 4.03Å; I157-I160 HydrophobicContact CG2-CG1 3.92Å; I157-I160 PolarHBondContact O-N 3.19Å; I157-I160 VanDerWaalsContact O-N 3.09Å; I157-Q161 PolarHBondContact O-N 3.27Å; I157-Q161 VanDerWaalsContact O-N 3.14Å; I157-Y455 HydrophobicContact CD1-CD2 4.04Å; I157-Y455 HydrophobicContact CD1-CG 4.33Å; I157-Y455 HydrophobicContact CG2-CD2 3.78Å; I157-Y455 HydrophobicContact CG2-CE2 3.61Å; I157-K458 HydrophobicContact CD1-CB 4.06Å; I157-K458 HydrophobicContact CD1-CG 4.3Å
158	A	98.1	Very high	96.9	Very high	46 Å²	46	58.1 Å²	58.1	38%	0.38	32%	0.316	S	S	.	.	H	α-helix	trans	-60	-34.9	-170.1	0	0	0	0	0	113.3	Q161 R162 E401	A158-Q161 PolarHBondContact O-N 3.08Å; A158-R162 WeakPolarHBondContact O-CG 3.33Å; A158-R162 PolarHBondContact O-N 3.17Å; A158-E401 WeakPolarHBondContact CB-OE1 3.48Å
159	Q	98.4	Very high	96.9	Very high	3 Å²	3	61.7 Å²	61.7	1%	0.014	34%	0.339	C	S	.	.	H	α-helix	trans	-62.6	-46.1	175.6	-176.2	59.8	35.4	0	0	112.6	I157 Q161 R162 D163 H397 N400 Y455	I157-Q159 VanDerWaalsContact C-N 3.27Å; I157-Q159 PolarHBondContact O-N 3.31Å; Q159-Q161 VanDerWaalsContact C-N 3.31Å; Q159-Q161 PolarHBondContact O-N 3.23Å; Q159-R162 VanDerWaalsContact CA-NH2 3.28Å; Q159-R162 PolarHBondContact O-N 3.45Å; Q159-D163 PolarHBondContact NE2-OD1 2.86Å; Q159-D163 PolarHBondContact NE2-OD2 2.88Å; Q159-D163 PolarHBondContact O-N 2.75Å; Q159-H397 VanDerWaalsContact CB-O 3.26Å; Q159-H397 WeakPolarHBondContact CB-O 3.47Å; Q159-H397 VanDerWaalsContact CG-O 3.22Å; Q159-H397 WeakPolarHBondContact CG-O 3.35Å; Q159-N400 PolarHBondContact OE1-ND2 2.99Å; Q159-Y455 HydrophobicContact CB-CE2 4.26Å; Q159-Y455 VanDerWaalsContact CG-OH 3.24Å; Q159-Y455 WeakPolarHBondContact CG-OH 3.43Å
160	I	98.8	Very high	96.9	Very high	2 Å²	2	55 Å²	55	1%	0.01	31%	0.308	C	S	.	.	H	α-helix	trans	-59.9	-46.5	178.6	-62.3	178	0	0	0	109.6	I157 R162 D163 L164 Y455 K458 L459 E462	I157-I160 HydrophobicContact CB-CB 4.34Å; I157-I160 HydrophobicContact CB-CD1 3.8Å; I157-I160 HydrophobicContact CB-CG1 4.04Å; I157-I160 HydrophobicContact CD1-CD1 3.8Å; I157-I160 HydrophobicContact CG1-CD1 4.31Å; I157-I160 HydrophobicContact CG2-CD1 4.03Å; I157-I160 HydrophobicContact CG2-CG1 3.92Å; I157-I160 PolarHBondContact O-N 3.19Å; I157-I160 VanDerWaalsContact O-N 3.09Å; I160-R162 PolarHBondContact O-N 2.91Å; I160-D163 PolarHBondContact O-N 3.1Å; I160-L164 HydrophobicContact CG2-CD1 3.63Å; I160-L164 HydrophobicContact CG2-CG 4.1Å; I160-L164 WeakPolarHBondContact O-CB 3.39Å; I160-L164 WeakPolarHBondContact O-CG 3.45Å; I160-L164 PolarHBondContact O-N 2.84Å; I160-Y455 HydrophobicContact CD1-CD1 4.12Å; I160-Y455 HydrophobicContact CD1-CD2 4.32Å; I160-Y455 HydrophobicContact CD1-CE1 4.03Å; I160-Y455 HydrophobicContact CD1-CE2 4.23Å; I160-Y455 HydrophobicContact CD1-CG 4.27Å; I160-Y455 HydrophobicContact CG1-CD1 4.44Å; I160-Y455 HydrophobicContact CG1-CD2 4.5Å; I160-Y455 HydrophobicContact CG1-CE1 3.85Å; I160-Y455 HydrophobicContact CG1-CE2 3.92Å; I160-K458 HydrophobicContact CD1-CB 3.98Å; I160-L459 HydrophobicContact CD1-CB 3.83Å; I160-L459 HydrophobicContact CG1-CB 4.34Å; I160-L459 HydrophobicContact CG2-CD1 4.08Å; I160-E462 HydrophobicContact CG2-CB 4.32Å; I160-E462 HydrophobicContact CG2-CG 4.39Å
161	Q	98.4	Very high	97	Very high	82 Å²	82	55.1 Å²	55.1	38%	0.383	31%	0.31	S	S	.	.	H	α-helix	trans	-61.8	-42.1	178.9	-63.9	-60.5	-43.1	0	0	112.1	I157 A158 Q159 A165	I157-Q161 PolarHBondContact O-N 3.27Å; I157-Q161 VanDerWaalsContact O-N 3.14Å; A158-Q161 PolarHBondContact O-N 3.08Å; Q159-Q161 VanDerWaalsContact C-N 3.31Å; Q159-Q161 PolarHBondContact O-N 3.23Å; Q161-A165 VanDerWaalsContact O-CB 3.23Å; Q161-A165 WeakPolarHBondContact O-CB 3.48Å; Q161-A165 PolarHBondContact O-N 3.45Å
162	R	97.9	Very high	97.1	Very high	92 Å²	92	54.8 Å²	54.8	35%	0.347	31%	0.309	S	S	.	.	H	α-helix	trans	-61.1	-45	176.2	-76.6	-175.2	-63.2	-100.1	-0	112.3	A158 Q159 I160 N400 E401	A158-R162 WeakPolarHBondContact O-CG 3.33Å; A158-R162 PolarHBondContact O-N 3.17Å; Q159-R162 VanDerWaalsContact CA-NH2 3.28Å; Q159-R162 PolarHBondContact O-N 3.45Å; I160-R162 PolarHBondContact O-N 2.91Å; R162-N400 VanDerWaalsContact NH2-CB 3.28Å; R162-E401 IonicContact CZ-OE1 2.73Å; R162-E401 IonicContact NH1-OE1 3.91Å; R162-E401 PolarHBondContact NH1-OE1 3.26Å; R162-E401 IonicContact NH2-OE1 3.31Å; R162-E401 PolarHBondContact NH2-OE1 3.11Å
163	D	98.2	Very high	97.2	Very high	7 Å²	7	52.8 Å²	52.8	4%	0.037	30%	0.296	C	S	.	.	H	α-helix	trans	-72.5	-43.4	-177	-69.8	-14.8	0	0	0	111.5	Q159 I160 A165 I265 V266	Q159-D163 PolarHBondContact NE2-OD1 2.86Å; Q159-D163 PolarHBondContact NE2-OD2 2.88Å; Q159-D163 PolarHBondContact O-N 2.75Å; I160-D163 PolarHBondContact O-N 3.1Å; D163-A165 PolarHBondContact O-N 2.75Å; D163-I265 HydrophobicContact CB-CB 4.38Å; D163-I265 HydrophobicContact CB-CG1 4.35Å; D163-I265 HydrophobicContact CB-CG2 4.14Å; D163-V266 PolarHBondContact OD2-N 2.79Å
164	L	98.3	Very high	97.1	Very high	11 Å²	11	56.2 Å²	56.2	6%	0.058	31%	0.308	C	S	.	.	H	α-helix	trans	-73.3	-23.9	-179.3	-65.5	-173.3	0	0	0	113.7	I160 H166 F167 I265 L459 E462 Y463 L466	I160-L164 HydrophobicContact CG2-CD1 3.63Å; I160-L164 HydrophobicContact CG2-CG 4.1Å; I160-L164 WeakPolarHBondContact O-CB 3.39Å; I160-L164 WeakPolarHBondContact O-CG 3.45Å; I160-L164 PolarHBondContact O-N 2.84Å; L164-H166 PolarHBondContact O-N 2.81Å; L164-F167 CarbonylContact O-C 3.58Å; L164-F167 PolarHBondContact O-N 2.83Å; L164-I265 HydrophobicContact CD2-CD1 3.69Å; L164-I265 HydrophobicContact CD2-CG1 4.12Å; L164-I265 HydrophobicContact CD2-CG2 4.14Å; L164-L459 HydrophobicContact CD2-CD1 4.49Å; L164-E462 HydrophobicContact CD1-CB 3.49Å; L164-E462 VanDerWaalsContact CD1-CB 3.49Å; L164-Y463 HydrophobicContact CD2-CD2 3.95Å; L164-L466 HydrophobicContact CB-CD1 4.13Å; L164-L466 HydrophobicContact CD1-CD1 4.18Å; L164-L466 HydrophobicContact CD2-CD1 4.12Å; L164-L466 HydrophobicContact CG-CD1 4.38Å
165	A	96.9	Very high	97.1	Very high	75 Å²	75	53.7 Å²	53.7	62%	0.62	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-15.9	176	0	0	0	0	0	113.9	Q161 D163 F167	Q161-A165 VanDerWaalsContact O-CB 3.23Å; Q161-A165 WeakPolarHBondContact O-CB 3.48Å; Q161-A165 PolarHBondContact O-N 3.45Å; D163-A165 PolarHBondContact O-N 2.75Å; A165-F167 VanDerWaalsContact C-N 3.34Å
166	H	95.2	Very high	97.2	Very high	71 Å²	71	46.4 Å²	46.4	33%	0.329	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-14	174.3	-60.8	-35.7	0	0	0	113.8	L164 I250 K263	L164-H166 PolarHBondContact O-N 2.81Å; H166-I250 HydrophobicContact CB-CD1 4.01Å; H166-K263 PolarHBondContact CE1-NZ 2.74Å; H166-K263 PolarHBondContact NE2-NZ 2.91Å
167	F	95.6	Very high	97.2	Very high	8 Å²	8	46.4 Å²	46.4	4%	0.035	26%	0.26	C	S	.	.			trans	-127.3	74.5	-173.1	-52.1	-75.4	0	0	0	109.9	L164 A165 T169 V170 I250 H251 P252 K263 I265 L466	L164-F167 CarbonylContact O-C 3.58Å; L164-F167 PolarHBondContact O-N 2.83Å; A165-F167 VanDerWaalsContact C-N 3.34Å; F167-T169 PolarHBondContact O-N 3.06Å; F167-T169 VanDerWaalsContact O-N 3.13Å; F167-V170 HydrophobicContact CB-CG2 4.28Å; F167-I250 HydrophobicContact CD1-CD1 4.18Å; F167-I250 HydrophobicContact CD1-CG1 4.25Å; F167-I250 HydrophobicContact CE1-CB 4.09Å; F167-I250 HydrophobicContact CE1-CD1 3.66Å; F167-I250 HydrophobicContact CE1-CG1 3.69Å; F167-I250 HydrophobicContact CZ-CD1 4.13Å; F167-I250 HydrophobicContact CZ-CG1 4.5Å; F167-H251 WeakPolarHBondContact CZ-O 3.44Å; F167-P252 HydrophobicContact CD1-CB 4.04Å; F167-P252 HydrophobicContact CD1-CG 4.47Å; F167-P252 HydrophobicContact CD2-CB 4.25Å; F167-P252 HydrophobicContact CE1-CB 4.16Å; F167-P252 HydrophobicContact CE2-CB 4.37Å; F167-P252 HydrophobicContact CG-CB 4.08Å; F167-P252 HydrophobicContact CZ-CB 4.32Å; F167-K263 WeakPolarHBondContact CE2-O 3.36Å; F167-K263 HydrophobicContact CZ-CB 4.5Å; F167-K263 WeakPolarHBondContact CZ-O 3.35Å; F167-I265 HydrophobicContact CD2-CD1 4Å; F167-I265 HydrophobicContact CD2-CG1 4.19Å; F167-I265 HydrophobicContact CE2-CD1 3.97Å; F167-I265 HydrophobicContact CE2-CG1 3.81Å; F167-L466 WeakPolarHBondContact O-CD1 3.26Å
168	P	94.6	Very high	97.1	Very high	102 Å²	102	48.1 Å²	48.1	66%	0.662	27%	0.267	S	S	*	.	S	Bend	trans	-62.2	-25.1	-176.3	26.3	-35.5	0	0	0	113.1
169	T	96.1	Very high	97	Very high	95 Å²	95	45.9 Å²	45.9	58%	0.583	25%	0.249	S	C	*	.			trans	-144.2	145.8	173.8	56.8	0	0	0	0	109	F167 L466 V468	F167-T169 PolarHBondContact O-N 3.06Å; F167-T169 VanDerWaalsContact O-N 3.13Å; T169-L466 CarbonylContact C-O 3.58Å; T169-L466 WeakPolarHBondContact CA-O 3.5Å; T169-V468 HydrophobicContact CG2-CG1 3.95Å
170	V	97.6	Very high	96.8	Very high	4 Å²	4	46.9 Å²	46.9	2%	0.024	26%	0.256	C	S	.	.	B	Isolated β-bridge	trans	-122	126.4	173.9	177	0	0	0	0	108	F167 P172 I175 P252 Y463 L466 Q467 V468	F167-V170 HydrophobicContact CB-CG2 4.28Å; V170-P172 VanDerWaalsContact O-CD 3.31Å; V170-P172 WeakPolarHBondContact O-CD 3.32Å; V170-I175 HydrophobicContact CG1-CD1 3.9Å; V170-I175 HydrophobicContact CG1-CG2 4.27Å; V170-P252 HydrophobicContact CG1-CG 4.03Å; V170-P252 HydrophobicContact CG2-CB 4.49Å; V170-P252 HydrophobicContact CG2-CG 4.03Å; V170-Y463 HydrophobicContact CG1-CE2 4.45Å; V170-Y463 WeakPolarHBondContact CG1-OH 3.43Å; V170-Y463 HydrophobicContact CG2-CE2 3.84Å; V170-L466 HydrophobicContact CG2-CB 4.05Å; V170-L466 PolarHBondContact N-O 3.21Å; V170-Q467 HydrophobicContact CB-CG 4.23Å; V170-Q467 HydrophobicContact CG1-CG 4.29Å; V170-Q467 CarbonylContact O-C 3.56Å; V170-Q467 VanDerWaalsContact O-CA 3.25Å; V170-Q467 WeakPolarHBondContact O-CA 3.31Å; V170-V468 PolarHBondContact O-N 2.79Å
171	D	97.7	Very high	96.6	Very high	62 Å²	62	55.4 Å²	55.4	33%	0.332	29%	0.293	S	S	.	.			trans	-104.5	105.3	174.9	177.5	-11.5	0	0	0	108.8	E173 K174 I175 V468	D171-E173 VanDerWaalsContact C-N 3.28Å; D171-E173 PolarHBondContact O-N 3.48Å; D171-E173 WeakPolarHBondContact OD1-CB 3.39Å; D171-E173 PolarHBondContact OD1-N 3.27Å; D171-K174 HydrophobicContact CB-CB 3.81Å; D171-K174 WeakPolarHBondContact O-CB 3.18Å; D171-K174 PolarHBondContact O-N 2.66Å; D171-K174 VanDerWaalsContact O-N 3.12Å; D171-K174 PolarHBondContact OD1-N 2.78Å; D171-I175 PolarHBondContact O-N 2.91Å; D171-V468 HydrophobicContact CB-CG2 3.91Å
172	P	98	Very high	96.3	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-46.9	-45.4	174.7	-33.1	37.5	0	0	0	114.2	V170 K174 I175 A176 E231 Q467 S469 R474	V170-P172 VanDerWaalsContact O-CD 3.31Å; V170-P172 WeakPolarHBondContact O-CD 3.32Å; P172-K174 VanDerWaalsContact C-N 3.32Å; P172-K174 PolarHBondContact O-N 3.11Å; P172-I175 WeakPolarHBondContact O-CG1 3.33Å; P172-I175 PolarHBondContact O-N 2.9Å; P172-A176 VanDerWaalsContact O-CB 3.23Å; P172-A176 WeakPolarHBondContact O-CB 3.45Å; P172-A176 PolarHBondContact O-N 2.89Å; P172-E231 HydrophobicContact CB-CB 4.26Å; P172-Q467 HydrophobicContact CG-CB 4.16Å; P172-Q467 HydrophobicContact CG-CG 4.35Å; P172-Q467 VanDerWaalsContact CG-OE1 3.28Å; P172-S469 VanDerWaalsContact CD-OG 3.29Å; P172-S469 WeakPolarHBondContact CD-OG 3.45Å; P172-S469 WeakPolarHBondContact CG-OG 3.1Å; P172-R474 VanDerWaalsContact C-NH2 3.35Å; P172-R474 PolarHBondContact O-NH2 2.88Å
173	E	97.1	Very high	96	Very high	78 Å²	78	52.9 Å²	52.9	36%	0.364	28%	0.281	S	S	.	.	H	α-helix	trans	-64.5	-39.4	-179	-65.6	-51.6	124.2	0	0	111.5	D171 R474	D171-E173 VanDerWaalsContact C-N 3.28Å; D171-E173 PolarHBondContact O-N 3.48Å; D171-E173 WeakPolarHBondContact OD1-CB 3.39Å; D171-E173 PolarHBondContact OD1-N 3.27Å; E173-R474 IonicContact OE1-CZ 3.43Å; E173-R474 IonicContact OE1-NH1 3.17Å; E173-R474 PolarHBondContact OE1-NH1 2.76Å; E173-R474 IonicContact OE1-NH2 2.83Å; E173-R474 PolarHBondContact OE1-NH2 2.82Å; E173-R474 IonicContact OE2-CZ 3.75Å; E173-R474 IonicContact OE2-NH1 2.86Å; E173-R474 PolarHBondContact OE2-NH1 2.86Å; E173-R474 IonicContact OE2-NH2 3.71Å
174	K	96.3	Very high	95.5	Very high	89 Å²	89	53 Å²	53	39%	0.387	28%	0.283	S	S	.	.	H	α-helix	trans	-67.6	-51.5	176.5	-173.4	177.2	176.7	179.1	0	111.9	D171 P172 A176 V177 E178	D171-K174 HydrophobicContact CB-CB 3.81Å; D171-K174 WeakPolarHBondContact O-CB 3.18Å; D171-K174 PolarHBondContact O-N 2.66Å; D171-K174 VanDerWaalsContact O-N 3.12Å; D171-K174 PolarHBondContact OD1-N 2.78Å; P172-K174 VanDerWaalsContact C-N 3.32Å; P172-K174 PolarHBondContact O-N 3.11Å; K174-A176 VanDerWaalsContact C-N 3.29Å; K174-A176 PolarHBondContact O-N 3.37Å; K174-V177 PolarHBondContact O-N 3.41Å; K174-E178 WeakPolarHBondContact CE-OE1 3.31Å; K174-E178 WeakPolarHBondContact CE-OE2 3.27Å; K174-E178 VanDerWaalsContact CG-CD 3.49Å; K174-E178 HydrophobicContact CG-CG 4.18Å; K174-E178 WeakPolarHBondContact O-CG 3.28Å; K174-E178 PolarHBondContact O-N 3.45Å
175	I	96.8	Very high	94.6	Very high	6 Å²	6	61 Å²	61	3%	0.031	32%	0.32	C	S	.	.	H	α-helix	trans	-65.6	-33.8	-175.3	64.8	171.4	0	0	0	112.1	V170 D171 P172 V177 I179 P180 F233 P252	V170-I175 HydrophobicContact CG1-CD1 3.9Å; V170-I175 HydrophobicContact CG1-CG2 4.27Å; D171-I175 PolarHBondContact O-N 2.91Å; P172-I175 WeakPolarHBondContact O-CG1 3.33Å; P172-I175 PolarHBondContact O-N 2.9Å; I175-V177 PolarHBondContact O-N 2.81Å; I175-I179 HydrophobicContact CB-CD1 3.74Å; I175-I179 HydrophobicContact CB-CG1 4.16Å; I175-I179 HydrophobicContact CG2-CD1 4.18Å; I175-I179 WeakPolarHBondContact O-CB 3.38Å; I175-I179 WeakPolarHBondContact O-CG1 3.46Å; I175-I179 PolarHBondContact O-N 2.83Å; I175-P180 WeakPolarHBondContact O-CD 3.38Å; I175-F233 HydrophobicContact CB-CE2 4.44Å; I175-F233 HydrophobicContact CD1-CD2 4.29Å; I175-F233 HydrophobicContact CD1-CE2 4.44Å; I175-F233 HydrophobicContact CG1-CE2 4.25Å; I175-P252 HydrophobicContact CG2-CG 4.17Å
176	A	97.3	Very high	93.6	Very high	16 Å²	16	68.1 Å²	68.1	13%	0.132	33%	0.331	C	S	.	.	H	α-helix	trans	-61	-28.5	177.8	0	0	0	0	0	113.6	P172 K174 P180 E231	P172-A176 VanDerWaalsContact O-CB 3.23Å; P172-A176 WeakPolarHBondContact O-CB 3.45Å; P172-A176 PolarHBondContact O-N 2.89Å; K174-A176 VanDerWaalsContact C-N 3.29Å; K174-A176 PolarHBondContact O-N 3.37Å; A176-P180 VanDerWaalsContact O-CD 3.32Å; A176-P180 WeakPolarHBondContact O-CD 3.48Å; A176-P180 VanDerWaalsContact O-CG 3.28Å; A176-P180 WeakPolarHBondContact O-CG 3.5Å; A176-E231 WeakPolarHBondContact CB-OE1 3.23Å
177	V	95.8	Very high	92.9	Very high	97 Å²	97	68 Å²	68	59%	0.588	33%	0.331	S	S	*	.	H	α-helix	trans	-94.6	-48.8	179.2	178.1	0	0	0	0	110.7	K174 I175 K181	K174-V177 PolarHBondContact O-N 3.41Å; I175-V177 PolarHBondContact O-N 2.81Å; V177-K181 WeakPolarHBondContact O-CB 3.32Å; V177-K181 PolarHBondContact O-N 3.25Å
178	E	95.8	Very high	92.7	Very high	64 Å²	64	68.6 Å²	68.6	30%	0.299	34%	0.336	S	S	.	.	H	α-helix	trans	-75.4	-40.8	-169.4	-66.4	-174.7	173.7	0	0	113	K174 K181 R182 H251	K174-E178 WeakPolarHBondContact CE-OE1 3.31Å; K174-E178 WeakPolarHBondContact CE-OE2 3.27Å; K174-E178 VanDerWaalsContact CG-CD 3.49Å; K174-E178 HydrophobicContact CG-CG 4.18Å; K174-E178 WeakPolarHBondContact O-CG 3.28Å; K174-E178 PolarHBondContact O-N 3.45Å; E178-K181 PolarHBondContact O-N 3.22Å; E178-R182 WeakPolarHBondContact O-CB 3.3Å; E178-R182 PolarHBondContact O-N 3.49Å; E178-H251 IonicContact OE2-CE1 3.69Å; E178-H251 PolarHBondContact OE2-CE1 3Å; E178-H251 IonicContact OE2-ND1 2.86Å; E178-H251 IonicContact OE2-NE2 3.69Å
179	I	95.7	Very high	92.8	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-66.4	-50.1	-177.3	-59.9	-178.4	0	0	0	111.2	I175 K181 R182 F183 L189 F233 H251 I253	I175-I179 HydrophobicContact CB-CD1 3.74Å; I175-I179 HydrophobicContact CB-CG1 4.16Å; I175-I179 HydrophobicContact CG2-CD1 4.18Å; I175-I179 WeakPolarHBondContact O-CB 3.38Å; I175-I179 WeakPolarHBondContact O-CG1 3.46Å; I175-I179 PolarHBondContact O-N 2.83Å; I179-K181 VanDerWaalsContact C-N 3.28Å; I179-K181 PolarHBondContact O-N 3.48Å; I179-R182 PolarHBondContact O-N 2.96Å; I179-F183 HydrophobicContact CG2-CD2 3.92Å; I179-F183 PolarHBondContact O-N 3.08Å; I179-L189 HydrophobicContact CG2-CD1 4.37Å; I179-L189 HydrophobicContact CG2-CD2 3.81Å; I179-F233 HydrophobicContact CB-CD1 4.23Å; I179-F233 HydrophobicContact CB-CD2 4.24Å; I179-F233 HydrophobicContact CB-CE1 4.18Å; I179-F233 HydrophobicContact CB-CE2 4.21Å; I179-F233 HydrophobicContact CB-CG 4.22Å; I179-F233 HydrophobicContact CB-CZ 4.16Å; I179-F233 HydrophobicContact CD1-CB 4.06Å; I179-F233 HydrophobicContact CD1-CD2 3.55Å; I179-F233 HydrophobicContact CD1-CE2 4.11Å; I179-F233 HydrophobicContact CD1-CG 3.85Å; I179-F233 HydrophobicContact CG1-CD2 4.42Å; I179-F233 HydrophobicContact CG2-CB 4.16Å; I179-F233 HydrophobicContact CG2-CD1 3.66Å; I179-F233 HydrophobicContact CG2-CD2 4.29Å; I179-F233 HydrophobicContact CG2-CE1 4.01Å; I179-F233 HydrophobicContact CG2-CG 3.77Å; I179-F233 HydrophobicContact CG2-CZ 4.46Å; I179-H251 HydrophobicContact CD1-CB 3.75Å; I179-H251 HydrophobicContact CG1-CB 3.62Å; I179-I253 HydrophobicContact CD1-CG1 4.2Å; I179-I253 HydrophobicContact CG2-CD1 4.1Å; I179-I253 HydrophobicContact CG2-CG1 4.28Å
180	P	94.9	Very high	92.8	Very high	24 Å²	24	59.2 Å²	59.2	16%	0.156	28%	0.276	C	S	.	.	H	α-helix	trans	-60.5	-37.3	175.8	-27.7	38.5	0	0	0	113.2	I175 A176 R182 G184 F233	I175-P180 WeakPolarHBondContact O-CD 3.38Å; A176-P180 VanDerWaalsContact O-CD 3.32Å; A176-P180 WeakPolarHBondContact O-CD 3.48Å; A176-P180 VanDerWaalsContact O-CG 3.28Å; A176-P180 WeakPolarHBondContact O-CG 3.5Å; P180-R182 VanDerWaalsContact C-N 3.31Å; P180-R182 PolarHBondContact O-N 3.02Å; P180-G184 VanDerWaalsContact O-CA 3.26Å; P180-G184 WeakPolarHBondContact O-CA 3.46Å; P180-G184 PolarHBondContact O-N 2.92Å; P180-F233 HydrophobicContact CG-CE1 3.72Å; P180-F233 HydrophobicContact CG-CZ 3.71Å
181	K	94.1	Very high	92.9	Very high	180 Å²	180	59.2 Å²	59.2	78%	0.783	28%	0.276	S	S	*	.	H	α-helix	trans	-62.2	-40.1	177.2	-177.9	179.3	178.2	-179.1	0	111.7	V177 E178 I179	V177-K181 WeakPolarHBondContact O-CB 3.32Å; V177-K181 PolarHBondContact O-N 3.25Å; E178-K181 PolarHBondContact O-N 3.22Å; I179-K181 VanDerWaalsContact C-N 3.28Å; I179-K181 PolarHBondContact O-N 3.48Å
182	R	92.4	Very high	92.9	Very high	104 Å²	104	56.2 Å²	56.2	39%	0.392	26%	0.26	S	S	.	.	H	α-helix	trans	-84.9	-36.7	-177.2	-172.5	172	166.9	-154.9	-11.8	113.4	E178 I179 P180 E242 N249	E178-R182 WeakPolarHBondContact O-CB 3.3Å; E178-R182 PolarHBondContact O-N 3.49Å; I179-R182 PolarHBondContact O-N 2.96Å; P180-R182 VanDerWaalsContact C-N 3.31Å; P180-R182 PolarHBondContact O-N 3.02Å; R182-E242 IonicContact CZ-OE1 3.17Å; R182-E242 VanDerWaalsContact CZ-OE1 3.25Å; R182-E242 IonicContact CZ-OE2 2.66Å; R182-E242 VanDerWaalsContact NH1-CD 3.3Å; R182-E242 IonicContact NH1-OE1 2.78Å; R182-E242 PolarHBondContact NH1-OE1 3.5Å; R182-E242 IonicContact NH1-OE2 2.63Å; R182-E242 PolarHBondContact NH1-OE2 3.19Å; R182-E242 IonicContact NH2-OE1 2.75Å; R182-E242 PolarHBondContact NH2-OE1 3.13Å; R182-E242 IonicContact NH2-OE2 2.74Å; R182-N249 PolarHBondContact NH1-O 2.66Å
183	F	92.3	Very high	92.9	Very high	18 Å²	18	56.2 Å²	56.2	8%	0.079	26%	0.26	C	S	.	.	H	α-helix	trans	-121.9	-19.3	-168.4	-58.9	-71.7	0	0	0	114.4	I179 Q185 Q187 L189 L241 E242 I253	I179-F183 HydrophobicContact CG2-CD2 3.92Å; I179-F183 PolarHBondContact O-N 3.08Å; F183-Q185 PolarHBondContact O-N 3.16Å; F183-Q187 HydrophobicContact CB-CG 4.39Å; F183-Q187 VanDerWaalsContact O-CB 3.31Å; F183-Q187 WeakPolarHBondContact O-CB 3.36Å; F183-Q187 WeakPolarHBondContact O-CG 3.48Å; F183-Q187 PolarHBondContact O-N 3.27Å; F183-L189 HydrophobicContact CB-CD2 4.19Å; F183-L241 HydrophobicContact CB-CD1 4.26Å; F183-L241 HydrophobicContact CD1-CB 4.04Å; F183-L241 HydrophobicContact CD1-CD1 4.07Å; F183-L241 HydrophobicContact CE1-CB 3.84Å; F183-L241 HydrophobicContact CG-CD1 4.23Å; F183-L241 HydrophobicContact CZ-CB 4.35Å; F183-E242 WeakPolarHBondContact CZ-OE2 3.48Å; F183-I253 HydrophobicContact CD2-CD1 3.56Å; F183-I253 HydrophobicContact CE2-CD1 3.41Å; F183-I253 VanDerWaalsContact CE2-CD1 3.41Å; F183-I253 HydrophobicContact CG-CD1 4.22Å; F183-I253 HydrophobicContact CZ-CD1 3.98Å
184	G	86.3	Confident	93	Very high	9 Å²	9	52.6 Å²	52.6	9%	0.093	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-13.3	-166.8	0	0	0	0	0	117	P180 H204 G205	P180-G184 VanDerWaalsContact O-CA 3.26Å; P180-G184 WeakPolarHBondContact O-CA 3.46Å; P180-G184 PolarHBondContact O-N 2.92Å; G184-H204 CarbonylContact O-C 3.21Å; G184-G205 PolarHBondContact O-N 2.98Å; G184-G205 VanDerWaalsContact O-N 3.15Å
185	Q	81.2	Confident	93.1	Very high	178 Å²	178	49.5 Å²	49.5	83%	0.832	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-32.1	179.9	-70.7	-173.1	-10.8	0	0	113.9	F183	F183-Q185 PolarHBondContact O-N 3.16Å
186	R	75.5	Confident	93.1	Very high	225 Å²	225	54.5 Å²	54.5	85%	0.849	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.7	-13.9	-169.8	-66.6	-174.4	179.7	-178.8	-0.2	114
187	Q	80.4	Confident	93.1	Very high	69 Å²	69	55 Å²	55	32%	0.322	26%	0.257	S	S	.	.	S	Bend	trans	-109.5	156.1	-175.1	-53.9	-59.2	-20.4	0	0	110.7	F183 L189 H204 L241	F183-Q187 HydrophobicContact CB-CG 4.39Å; F183-Q187 VanDerWaalsContact O-CB 3.31Å; F183-Q187 WeakPolarHBondContact O-CB 3.36Å; F183-Q187 WeakPolarHBondContact O-CG 3.48Å; F183-Q187 PolarHBondContact O-N 3.27Å; Q187-L189 PolarHBondContact O-N 3.23Å; Q187-H204 VanDerWaalsContact O-O 3.11Å; Q187-L241 HydrophobicContact CB-CD1 4.13Å; Q187-L241 HydrophobicContact CB-CD2 4.44Å; Q187-L241 HydrophobicContact CG-CD1 4.01Å; Q187-L241 HydrophobicContact CG-CD2 3.76Å
188	S	91	Very high	93.1	Very high	20 Å²	20	54.4 Å²	54.4	14%	0.14	25%	0.247	C	C	.	.			trans	-80	90.4	168.8	-58.7	0	0	0	0	108.8	H207 L236	S188-H207 WeakPolarHBondContact CB-O 3.27Å; S188-H207 WeakPolarHBondContact OG-CB 3.13Å; S188-H207 PolarHBondContact OG-O 2.79Å; S188-L236 WeakPolarHBondContact O-CB 3.31Å; S188-L236 PolarHBondContact O-N 3.26Å
189	L	96	Very high	93.3	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	135.1	-170.4	-178.3	78.9	0	0	0	110.5	I179 F183 Q187 H204 F233	I179-L189 HydrophobicContact CG2-CD1 4.37Å; I179-L189 HydrophobicContact CG2-CD2 3.81Å; F183-L189 HydrophobicContact CB-CD2 4.19Å; Q187-L189 PolarHBondContact O-N 3.23Å; L189-H204 HydrophobicContact CB-CB 4.19Å; L189-H204 HydrophobicContact CD2-CB 4.34Å; L189-H204 PolarHBondContact N-O 3.19Å; L189-H204 VanDerWaalsContact N-O 3.09Å; L189-H204 PolarHBondContact O-N 3.31Å; L189-H204 VanDerWaalsContact O-O 3.11Å; L189-F233 HydrophobicContact CD1-CB 4.25Å; L189-F233 HydrophobicContact CD1-CD1 4.05Å; L189-F233 HydrophobicContact CD2-CD1 3.73Å; L189-F233 HydrophobicContact CD2-CE1 4.03Å; L189-F233 HydrophobicContact CG-CD1 3.87Å
190	C	97.3	Very high	93.4	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	132.6	174.6	-68.7	0	0	0	0	110.6	Y192 I201 F233 V234 L236	C190-Y192 HydrophobicContact CB-CD2 3.94Å; C190-Y192 HydrophobicContact CB-CE2 3.36Å; C190-I201 HydrophobicContact CB-CD1 4.05Å; C190-I201 HydrophobicContact CB-CG1 4.25Å; C190-F233 CarbonylContact O-C 3.51Å; C190-F233 WeakPolarHBondContact O-CA 3.28Å; C190-V234 PolarHBondContact N-O 3.27Å; C190-V234 PolarHBondContact O-N 3.15Å; C190-L236 WeakPolarHBondContact SG-CD1 3.4Å
191	H	98.3	Very high	93.6	Very high	4 Å²	4	52.7 Å²	52.7	2%	0.019	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	116	171.9	-175	177.1	0	0	0	108.4	I201 K202 E231 F233 M477	H191-I201 CarbonylContact O-C 3.57Å; H191-I201 VanDerWaalsContact O-CA 3.31Å; H191-I201 WeakPolarHBondContact O-CA 3.3Å; H191-K202 HydrophobicContact CB-CB 4.34Å; H191-K202 WeakPolarHBondContact CB-O 3.37Å; H191-K202 PolarHBondContact N-O 3.33Å; H191-K202 PolarHBondContact O-N 2.73Å; H191-E231 IonicContact CE1-OE1 2.96Å; H191-E231 PolarHBondContact CE1-OE1 3.4Å; H191-E231 WeakPolarHBondContact NE2-CG 3.38Å; H191-E231 IonicContact NE2-OE1 2.78Å; H191-E231 PolarHBondContact NE2-OE1 3.18Å; H191-F233 HydrophobicContact CB-CD1 3.94Å; H191-F233 HydrophobicContact CB-CE1 3.46Å; H191-F233 VanDerWaalsContact CB-CE1 3.46Å; H191-F233 HydrophobicContact CB-CE2 4.45Å; H191-F233 HydrophobicContact CB-CZ 3.76Å; H191-F233 AromaticContact CD2-CE2 3.65Å; H191-F233 AromaticContact CD2-CZ 3.74Å; H191-F233 AromaticContact CE1-CE2 3.8Å; H191-F233 AromaticContact CE1-CZ 3.66Å; H191-F233 AromaticContact CG-CE1 3.63Å; H191-F233 AromaticContact CG-CE2 3.79Å; H191-F233 AromaticContact CG-CZ 3.35Å; H191-F233 AromaticContact ND1-CE1 3.94Å; H191-F233 AromaticContact ND1-CE2 3.89Å; H191-F233 AromaticContact ND1-CZ 3.32Å; H191-F233 VanDerWaalsContact ND1-CZ 3.32Å; H191-F233 WeakPolarHBondContact ND1-CZ 3.04Å; H191-F233 AromaticContact NE2-CE2 3.69Å; H191-F233 AromaticContact NE2-CZ 3.93Å; H191-M477 HydrophobicContact CB-CE 4.35Å; H191-M477 VanDerWaalsContact CD2-CE 3.49Å; H191-M477 WeakPolarHBondContact CD2-CE 3.43Å; H191-M477 VanDerWaalsContact CE1-CE 3.47Å; H191-M477 WeakPolarHBondContact CE1-CE 3.36Å; H191-M477 WeakPolarHBondContact NE2-CE 3.46Å
192	Y	98.8	Very high	93.7	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	141.9	178.6	-72.3	-87.2	0	0	0	112	C190 V199 Y200 I201 M214 D215 L218 E231 F232 V234 V480	C190-Y192 HydrophobicContact CB-CD2 3.94Å; C190-Y192 HydrophobicContact CB-CE2 3.36Å; Y192-V199 HydrophobicContact CD1-CG1 3.87Å; Y192-V199 HydrophobicContact CE1-CG1 4.29Å; Y192-Y200 CarbonylContact C-O 3.53Å; Y192-Y200 VanDerWaalsContact CA-O 3.28Å; Y192-Y200 WeakPolarHBondContact CA-O 3.41Å; Y192-I201 HydrophobicContact CD1-CB 3.99Å; Y192-I201 HydrophobicContact CD1-CD1 4.35Å; Y192-I201 HydrophobicContact CD1-CG1 3.98Å; Y192-I201 HydrophobicContact CE1-CB 3.88Å; Y192-I201 HydrophobicContact CE1-CD1 3.54Å; Y192-I201 HydrophobicContact CE1-CG1 3.67Å; Y192-I201 HydrophobicContact CE2-CD1 4.14Å; Y192-I201 HydrophobicContact CE2-CG1 4.33Å; Y192-I201 HydrophobicContact CG-CG1 4.44Å; Y192-I201 VanDerWaalsContact CZ-CD1 3.41Å; Y192-I201 WeakPolarHBondContact OH-CD1 3.49Å; Y192-M214 HydrophobicContact CE2-CB 4.5Å; Y192-M214 HydrophobicContact CE2-CG 3.85Å; Y192-D215 VanDerWaalsContact CE1-OD1 3.22Å; Y192-D215 WeakPolarHBondContact CE1-OD1 3.44Å; Y192-D215 PolarHBondContact OH-OD1 3.12Å; Y192-L218 HydrophobicContact CD1-CD1 3.69Å; Y192-L218 HydrophobicContact CE1-CD1 3.76Å; Y192-L218 HydrophobicContact CG-CD1 4.23Å; Y192-E231 WeakPolarHBondContact O-CA 3.4Å; Y192-F232 VanDerWaalsContact CB-CE1 3.44Å; Y192-F232 HydrophobicContact CD2-CE2 4.02Å; Y192-F232 HydrophobicContact CD2-CZ 4.26Å; Y192-F232 HydrophobicContact CG-CE1 4.42Å; Y192-F232 HydrophobicContact CG-CE2 4.12Å; Y192-F232 AromaticContact CG-CZ 3.88Å; Y192-F232 HydrophobicContact CG-CZ 3.88Å; Y192-F232 PolarHBondContact N-O 3.28Å; Y192-F232 PolarHBondContact O-N 2.82Å; Y192-V234 HydrophobicContact CD2-CB 4.25Å; Y192-V234 HydrophobicContact CD2-CG2 3.78Å; Y192-V234 HydrophobicContact CE2-CB 4.05Å; Y192-V234 HydrophobicContact CE2-CG2 3.9Å; Y192-V480 HydrophobicContact CE1-CG2 4.48Å
193	T	98.8	Very high	93.9	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	122.1	162.7	-59.3	0	0	0	0	108.7	K195 Y200 M230 P471 Q472 M477	T193-K195 HydrophobicContact CG2-CB 4.07Å; T193-Y200 PolarHBondContact N-O 3.35Å; T193-Y200 PolarHBondContact O-N 2.94Å; T193-M230 WeakPolarHBondContact CA-O 3.42Å; T193-P471 HydrophobicContact CG2-CB 4.16Å; T193-Q472 WeakPolarHBondContact CG2-O 3.37Å; T193-Q472 PolarHBondContact OG1-O 2.91Å; T193-M477 VanDerWaalsContact OG1-CE 3.26Å; T193-M477 WeakPolarHBondContact OG1-CE 3.35Å; T193-M477 PolarHBondContact OG1-SD 3.26Å
194	L	98.6	Very high	93.9	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.005	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	119.2	160.4	-74.8	175.1	0	0	0	107.8	K198 V199 L218 T222 M227 D229 M230 F232	L194-K198 WeakPolarHBondContact CA-O 3.3Å; L194-V199 HydrophobicContact CD2-CB 4.13Å; L194-V199 HydrophobicContact CD2-CG1 4.2Å; L194-V199 HydrophobicContact CD2-CG2 3.63Å; L194-L218 HydrophobicContact CD1-CD2 4.13Å; L194-T222 HydrophobicContact CD2-CG2 4.13Å; L194-M227 HydrophobicContact CD1-CB 4.12Å; L194-M227 HydrophobicContact CD1-CE 4.29Å; L194-D229 CarbonylContact O-C 3.58Å; L194-D229 VanDerWaalsContact O-CA 3.23Å; L194-D229 WeakPolarHBondContact O-CA 3.34Å; L194-M230 HydrophobicContact CB-CG 4.13Å; L194-M230 HydrophobicContact CD1-CE 3.27Å; L194-M230 HydrophobicContact CD1-CG 4.14Å; L194-M230 HydrophobicContact CD1-SD 4.44Å; L194-M230 HydrophobicContact CG-CE 4.19Å; L194-M230 PolarHBondContact N-O 3.01Å; L194-M230 PolarHBondContact O-N 3.01Å; L194-F232 HydrophobicContact CD1-CE1 4.4Å; L194-F232 HydrophobicContact CG-CE1 4.27Å
195	K	98.1	Very high	93.9	Very high	25 Å²	25	47.2 Å²	47.2	11%	0.109	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	128.1	178	-172.3	71.9	-172.1	166.7	0	110.2	T193 N197 K198 Y200 D229 E470 I473	T193-K195 HydrophobicContact CG2-CB 4.07Å; K195-N197 PolarHBondContact O-N 3.44Å; K195-K198 PolarHBondContact N-O 3.15Å; K195-K198 WeakPolarHBondContact O-CB 3.24Å; K195-K198 PolarHBondContact O-N 3.37Å; K195-Y200 HydrophobicContact CB-CE2 4.38Å; K195-D229 WeakPolarHBondContact CA-OD1 3.38Å; K195-D229 HydrophobicContact CD-CB 4.35Å; K195-D229 WeakPolarHBondContact CD-OD2 3.23Å; K195-D229 WeakPolarHBondContact CE-OD2 3.35Å; K195-D229 IonicContact NZ-OD2 3.9Å; K195-D229 PolarHBondContact NZ-OD2 2.77Å; K195-E470 IonicContact NZ-OE1 2.98Å; K195-E470 PolarHBondContact NZ-OE1 2.61Å; K195-I473 HydrophobicContact CB-CD1 4.43Å; K195-I473 HydrophobicContact CB-CG1 4.26Å; K195-I473 HydrophobicContact CG-CD1 4.45Å; K195-I473 HydrophobicContact CG-CG1 4.5Å
196	D	96.4	Very high	93.8	Very high	111 Å²	111	47.3 Å²	47.3	59%	0.594	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.3	42.9	-179.2	-63.4	-51.1	0	0	0	112.2	K198 D229	D196-K198 PolarHBondContact O-N 2.65Å; D196-D229 PolarHBondContact N-OD1 3.13Å
197	N	96.8	Very high	94.1	Very high	27 Å²	27	43.5 Å²	43.5	14%	0.144	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.7	23.6	-177.2	-159.2	55.9	0	0	0	114.4	K195 T222 V225 M227	K195-N197 PolarHBondContact O-N 3.44Å; N197-T222 PolarHBondContact ND2-O 2.99Å; N197-V225 PolarHBondContact OD1-O 2.93Å; N197-M227 PolarHBondContact OD1-N 3.5Å
198	K	97.6	Very high	94.4	Very high	84 Å²	84	41.2 Å²	41.2	37%	0.365	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	147	173.5	-64.4	168.4	-172.1	163	0	109.9	L194 K195 D196 Y200	L194-K198 WeakPolarHBondContact CA-O 3.3Å; K195-K198 PolarHBondContact N-O 3.15Å; K195-K198 WeakPolarHBondContact O-CB 3.24Å; K195-K198 PolarHBondContact O-N 3.37Å; D196-K198 PolarHBondContact O-N 2.65Å; K198-Y200 HydrophobicContact CB-CD2 4.48Å; K198-Y200 HydrophobicContact CB-CE2 3.64Å
199	V	98.4	Very high	94.3	Very high	3 Å²	3	42.8 Å²	42.8	2%	0.018	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	130.8	-178.4	-163.7	0	0	0	0	109.8	Y192 L194 L218 L219 T222 R479 V480	Y192-V199 HydrophobicContact CD1-CG1 3.87Å; Y192-V199 HydrophobicContact CE1-CG1 4.29Å; L194-V199 HydrophobicContact CD2-CB 4.13Å; L194-V199 HydrophobicContact CD2-CG1 4.2Å; L194-V199 HydrophobicContact CD2-CG2 3.63Å; V199-L218 HydrophobicContact CG1-CB 4.29Å; V199-L218 HydrophobicContact CG1-CD1 3.74Å; V199-L218 HydrophobicContact CG2-CB 4.03Å; V199-L219 HydrophobicContact CG2-CD2 4.14Å; V199-T222 HydrophobicContact CG2-CG2 4.13Å; V199-R479 WeakPolarHBondContact O-CA 3.5Å; V199-V480 HydrophobicContact CB-CB 4.03Å; V199-V480 HydrophobicContact CB-CG2 3.98Å; V199-V480 HydrophobicContact CG1-CB 4.24Å; V199-V480 HydrophobicContact CG1-CG2 3.69Å; V199-V480 PolarHBondContact O-N 3.38Å
200	Y	98.6	Very high	94.1	Very high	37 Å²	37	47.1 Å²	47.1	15%	0.145	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	145.1	174	-59.8	-95.5	0	0	0	109.4	Y192 T193 K195 K198 I473 K478 R479	Y192-Y200 CarbonylContact C-O 3.53Å; Y192-Y200 VanDerWaalsContact CA-O 3.28Å; Y192-Y200 WeakPolarHBondContact CA-O 3.41Å; T193-Y200 PolarHBondContact N-O 3.35Å; T193-Y200 PolarHBondContact O-N 2.94Å; K195-Y200 HydrophobicContact CB-CE2 4.38Å; K198-Y200 HydrophobicContact CB-CD2 4.48Å; K198-Y200 HydrophobicContact CB-CE2 3.64Å; Y200-I473 HydrophobicContact CD1-CD1 4.27Å; Y200-I473 HydrophobicContact CD1-CG1 4.34Å; Y200-I473 HydrophobicContact CD1-CG2 3.82Å; Y200-I473 HydrophobicContact CD2-CD1 4.01Å; Y200-I473 HydrophobicContact CD2-CG1 3.9Å; Y200-I473 HydrophobicContact CE1-CD1 3.82Å; Y200-I473 HydrophobicContact CE1-CG1 4.39Å; Y200-I473 HydrophobicContact CE1-CG2 4.2Å; Y200-I473 HydrophobicContact CE2-CD1 3.54Å; Y200-I473 HydrophobicContact CE2-CG1 3.96Å; Y200-I473 HydrophobicContact CG-CD1 4.36Å; Y200-I473 HydrophobicContact CG-CG1 4.1Å; Y200-I473 HydrophobicContact CG-CG2 4.11Å; Y200-I473 VanDerWaalsContact CZ-CD1 3.44Å; Y200-K478 CarbonylContact C-O 3.58Å; Y200-K478 VanDerWaalsContact CA-O 3.31Å; Y200-K478 WeakPolarHBondContact CA-O 3.5Å; Y200-R479 HydrophobicContact CD1-CB 4.03Å; Y200-R479 HydrophobicContact CE1-CB 3.9Å; Y200-R479 HydrophobicContact CE1-CG 4.22Å
201	I	98	Very high	94	Very high	12 Å²	12	51.6 Å²	51.6	6%	0.062	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	141.2	-175.3	-167.6	-177.3	0	0	0	111.9	C190 H191 Y192 T203 R211 M477 K478 V480	C190-I201 HydrophobicContact CB-CD1 4.05Å; C190-I201 HydrophobicContact CB-CG1 4.25Å; H191-I201 CarbonylContact O-C 3.57Å; H191-I201 VanDerWaalsContact O-CA 3.31Å; H191-I201 WeakPolarHBondContact O-CA 3.3Å; Y192-I201 HydrophobicContact CD1-CB 3.99Å; Y192-I201 HydrophobicContact CD1-CD1 4.35Å; Y192-I201 HydrophobicContact CD1-CG1 3.98Å; Y192-I201 HydrophobicContact CE1-CB 3.88Å; Y192-I201 HydrophobicContact CE1-CD1 3.54Å; Y192-I201 HydrophobicContact CE1-CG1 3.67Å; Y192-I201 HydrophobicContact CE2-CD1 4.14Å; Y192-I201 HydrophobicContact CE2-CG1 4.33Å; Y192-I201 HydrophobicContact CG-CG1 4.44Å; Y192-I201 VanDerWaalsContact CZ-CD1 3.41Å; Y192-I201 WeakPolarHBondContact OH-CD1 3.49Å; I201-T203 HydrophobicContact CD1-CG2 4Å; I201-T203 HydrophobicContact CG1-CG2 4.38Å; I201-R211 HydrophobicContact CD1-CB 4.35Å; I201-M477 CarbonylContact O-C 3.5Å; I201-M477 WeakPolarHBondContact O-CA 3.48Å; I201-K478 PolarHBondContact N-O 3.09Å; I201-K478 PolarHBondContact O-N 3.25Å; I201-V480 HydrophobicContact CB-CG2 3.93Å; I201-V480 HydrophobicContact CG2-CG2 3.68Å
202	K	97.1	Very high	93.8	Very high	78 Å²	78	55.1 Å²	55.1	34%	0.339	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	127.4	161.3	-177.6	174.9	-172.6	168.7	0	109.2	H191 E475 M477	H191-K202 HydrophobicContact CB-CB 4.34Å; H191-K202 WeakPolarHBondContact CB-O 3.37Å; H191-K202 PolarHBondContact N-O 3.33Å; H191-K202 PolarHBondContact O-N 2.73Å; K202-E475 PolarHBondContact NZ-O 3.27Å; K202-M477 HydrophobicContact CB-CG 3.81Å
203	T	95.7	Very high	93.7	Very high	53 Å²	53	56.5 Å²	56.5	33%	0.325	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	144.9	-179	56.5	0	0	0	0	111	I201 V208	I201-T203 HydrophobicContact CD1-CG2 4Å; I201-T203 HydrophobicContact CG1-CG2 4.38Å; T203-V208 HydrophobicContact CG2-CB 4.15Å; T203-V208 HydrophobicContact CG2-CG1 4.48Å; T203-V208 HydrophobicContact CG2-CG2 3.88Å
204	H	93.9	Very high	93.6	Very high	33 Å²	33	56.5 Å²	56.5	15%	0.153	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	131	176.2	-58	-91.3	0	0	0	108.8	G184 Q187 L189	G184-H204 CarbonylContact O-C 3.21Å; Q187-H204 VanDerWaalsContact O-O 3.11Å; L189-H204 HydrophobicContact CB-CB 4.19Å; L189-H204 HydrophobicContact CD2-CB 4.34Å; L189-H204 PolarHBondContact N-O 3.19Å; L189-H204 VanDerWaalsContact N-O 3.09Å; L189-H204 PolarHBondContact O-N 3.31Å; L189-H204 VanDerWaalsContact O-O 3.11Å
205	G	85.4	Confident	93.6	Very high	31 Å²	31	57.3 Å²	57.3	32%	0.32	29%	0.292	S	S	.	.	S	Bend	trans	88.9	176.8	-173.9	0	0	0	0	0	114	G184	G184-G205 PolarHBondContact O-N 2.98Å; G184-G205 VanDerWaalsContact O-N 3.15Å
206	E	78.4	Confident	93.5	Very high	181 Å²	181	57.3 Å²	57.3	85%	0.846	30%	0.297	S	S	*	.	S	Bend	trans	-95.1	-24.3	-170	-62.6	-177.5	166.3	0	0	113.7
207	H	83.4	Confident	93.6	Very high	145 Å²	145	52.1 Å²	52.1	67%	0.671	27%	0.269	S	S	*	.			trans	-108.1	60.5	-171.6	-62.3	-48.5	0	0	0	113.6	S188	S188-H207 WeakPolarHBondContact CB-O 3.27Å; S188-H207 WeakPolarHBondContact OG-CB 3.13Å; S188-H207 PolarHBondContact OG-O 2.79Å
208	V	86	Confident	93.7	Very high	21 Å²	21	50.9 Å²	50.9	13%	0.127	26%	0.262	C	S	.	.			trans	-101.6	14.6	-172.8	-62.3	0	0	0	0	114.5	T203 F210 R211 L236	T203-V208 HydrophobicContact CG2-CB 4.15Å; T203-V208 HydrophobicContact CG2-CG1 4.48Å; T203-V208 HydrophobicContact CG2-CG2 3.88Å; V208-F210 PolarHBondContact O-N 3.19Å; V208-R211 VanDerWaalsContact O-CB 3.31Å; V208-R211 WeakPolarHBondContact O-CB 3.43Å; V208-R211 VanDerWaalsContact O-CG 3.23Å; V208-R211 WeakPolarHBondContact O-CG 3.25Å; V208-R211 PolarHBondContact O-N 3.22Å; V208-R211 VanDerWaalsContact O-N 3.08Å; V208-L236 HydrophobicContact CB-CD1 4.11Å; V208-L236 HydrophobicContact CG1-CD1 4.48Å
209	G	88.9	Confident	93.7	Very high	52 Å²	52	47.7 Å²	47.7	54%	0.536	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-28.9	-177.2	0	0	0	0	0	114.4	R211 I212	G209-R211 PolarHBondContact O-N 2.98Å; G209-R211 VanDerWaalsContact O-N 3.12Å; G209-I212 PolarHBondContact O-N 3.31Å
210	F	92.2	Very high	93.6	Very high	91 Å²	91	47.5 Å²	47.5	40%	0.399	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-6.1	177.7	-84.4	-117.6	0	0	0	113.6	V208 I212 F213 L236 Y270	V208-F210 PolarHBondContact O-N 3.19Å; F210-I212 PolarHBondContact O-N 3.5Å; F210-I212 VanDerWaalsContact O-N 3.1Å; F210-F213 HydrophobicContact CB-CD2 4.4Å; F210-F213 HydrophobicContact CD1-CD2 4.04Å; F210-F213 AromaticContact CD1-CE2 3.77Å; F210-F213 HydrophobicContact CD1-CE2 3.77Å; F210-F213 HydrophobicContact CE1-CE2 4.1Å; F210-F213 HydrophobicContact CG-CD2 4.43Å; F210-F213 HydrophobicContact CG-CE2 4.24Å; F210-F213 WeakPolarHBondContact O-CD2 3.26Å; F210-F213 PolarHBondContact O-N 3.08Å; F210-L236 HydrophobicContact CB-CB 4.2Å; F210-Y270 AromaticContact CD1-CD1 3.88Å; F210-Y270 HydrophobicContact CD1-CD1 3.88Å; F210-Y270 HydrophobicContact CD1-CD2 4.43Å; F210-Y270 AromaticContact CD1-CE1 3.89Å; F210-Y270 HydrophobicContact CD1-CE1 3.89Å; F210-Y270 HydrophobicContact CD1-CG 4.18Å; F210-Y270 HydrophobicContact CE1-CD1 4.07Å; F210-Y270 HydrophobicContact CE1-CD2 4.24Å; F210-Y270 AromaticContact CE1-CE1 3.62Å; F210-Y270 HydrophobicContact CE1-CE1 3.62Å; F210-Y270 AromaticContact CE1-CE2 3.9Å; F210-Y270 HydrophobicContact CE1-CE2 3.9Å; F210-Y270 HydrophobicContact CE1-CG 4.37Å; F210-Y270 AromaticContact CE1-CZ 3.59Å
211	R	94.6	Very high	93.6	Very high	94 Å²	94	45.8 Å²	45.8	36%	0.355	24%	0.241	S	C	.	.	H	α-helix	trans	-55.9	-26.6	172.6	74.2	-179.9	-176	-167.9	-1.8	112.7	I201 V208 G209 F213 M214 D215 L236	I201-R211 HydrophobicContact CD1-CB 4.35Å; V208-R211 VanDerWaalsContact O-CB 3.31Å; V208-R211 WeakPolarHBondContact O-CB 3.43Å; V208-R211 VanDerWaalsContact O-CG 3.23Å; V208-R211 WeakPolarHBondContact O-CG 3.25Å; V208-R211 PolarHBondContact O-N 3.22Å; V208-R211 VanDerWaalsContact O-N 3.08Å; G209-R211 PolarHBondContact O-N 2.98Å; G209-R211 VanDerWaalsContact O-N 3.12Å; R211-F213 PolarHBondContact O-N 2.69Å; R211-F213 VanDerWaalsContact O-N 3.09Å; R211-M214 PolarHBondContact O-N 3.28Å; R211-D215 WeakPolarHBondContact O-CB 3.26Å; R211-D215 PolarHBondContact O-N 3.08Å; R211-L236 HydrophobicContact CB-CD1 3.9Å
212	I	95	Very high	93.6	Very high	78 Å²	78	45.8 Å²	45.8	40%	0.4	24%	0.242	S	C	.	.	H	α-helix	trans	-53.4	-34.2	-179	62.3	175.4	0	0	0	112.6	G209 F210 A216	G209-I212 PolarHBondContact O-N 3.31Å; F210-I212 PolarHBondContact O-N 3.5Å; F210-I212 VanDerWaalsContact O-N 3.1Å; I212-A216 VanDerWaalsContact O-CB 3.24Å; I212-A216 WeakPolarHBondContact O-CB 3.46Å; I212-A216 PolarHBondContact O-N 3.23Å
213	F	95.7	Very high	93.5	Very high	30 Å²	30	44 Å²	44	13%	0.132	23%	0.233	C	C	.	.	H	α-helix	trans	-73.9	-41.8	-180	-58.8	-68	0	0	0	111.6	F210 R211 A216 I217 Y270 D274	F210-F213 HydrophobicContact CB-CD2 4.4Å; F210-F213 HydrophobicContact CD1-CD2 4.04Å; F210-F213 AromaticContact CD1-CE2 3.77Å; F210-F213 HydrophobicContact CD1-CE2 3.77Å; F210-F213 HydrophobicContact CE1-CE2 4.1Å; F210-F213 HydrophobicContact CG-CD2 4.43Å; F210-F213 HydrophobicContact CG-CE2 4.24Å; F210-F213 WeakPolarHBondContact O-CD2 3.26Å; F210-F213 PolarHBondContact O-N 3.08Å; R211-F213 PolarHBondContact O-N 2.69Å; R211-F213 VanDerWaalsContact O-N 3.09Å; F213-A216 PolarHBondContact O-N 2.79Å; F213-I217 PolarHBondContact O-N 3.03Å; F213-Y270 HydrophobicContact CD2-CD2 4.09Å; F213-Y270 HydrophobicContact CD2-CG 4.02Å; F213-Y270 AromaticContact CE2-CD2 3.89Å; F213-Y270 HydrophobicContact CE2-CD2 3.89Å; F213-Y270 HydrophobicContact CE2-CG 4.24Å; F213-Y270 HydrophobicContact CG-CG 4.46Å; F213-Y270 HydrophobicContact CZ-CD2 4.17Å; F213-D274 HydrophobicContact CD1-CB 3.88Å; F213-D274 HydrophobicContact CE1-CB 3.88Å
214	M	97.3	Very high	93.5	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-68.2	-43.9	176.4	-170.3	67.1	-153.8	0	0	111.4	Y192 R211 A216 I217 L218 F232 V234 W256 M267 F460	Y192-M214 HydrophobicContact CE2-CB 4.5Å; Y192-M214 HydrophobicContact CE2-CG 3.85Å; R211-M214 PolarHBondContact O-N 3.28Å; M214-A216 VanDerWaalsContact C-N 3.29Å; M214-A216 PolarHBondContact O-N 2.93Å; M214-I217 HydrophobicContact CE-CG2 4.48Å; M214-I217 VanDerWaalsContact O-CG2 3.29Å; M214-I217 WeakPolarHBondContact O-CG2 3.44Å; M214-I217 PolarHBondContact O-N 2.94Å; M214-I217 HydrophobicContact SD-CG2 4.29Å; M214-L218 HydrophobicContact CE-CD1 3.8Å; M214-L218 HydrophobicContact CE-CD2 3.75Å; M214-L218 HydrophobicContact CE-CG 3.63Å; M214-L218 HydrophobicContact CG-CD1 4.1Å; M214-L218 WeakPolarHBondContact O-CB 3.33Å; M214-L218 VanDerWaalsContact O-CG 3.29Å; M214-L218 WeakPolarHBondContact O-CG 3.38Å; M214-L218 PolarHBondContact O-N 3.26Å; M214-L218 VanDerWaalsContact O-N 3.08Å; M214-F232 HydrophobicContact CE-CE2 3.83Å; M214-F232 HydrophobicContact CE-CZ 4.21Å; M214-V234 HydrophobicContact CE-CG2 4.31Å; M214-V234 HydrophobicContact CG-CG1 4.34Å; M214-V234 HydrophobicContact CG-CG2 4.16Å; M214-V234 HydrophobicContact SD-CG1 4.4Å; M214-V234 HydrophobicContact SD-CG2 4.2Å; M214-W256 HydrophobicContact CB-CH2 4.34Å; M214-W256 HydrophobicContact SD-CH2 4.21Å; M214-M267 HydrophobicContact SD-CE 4.39Å; M214-M267 HydrophobicContact SD-SD 3.94Å; M214-F460 HydrophobicContact CE-CE1 3.99Å; M214-F460 HydrophobicContact CE-CE2 4.45Å; M214-F460 HydrophobicContact CE-CZ 3.42Å; M214-F460 VanDerWaalsContact CE-CZ 3.42Å
215	D	97.6	Very high	93.7	Very high	18 Å²	18	40.1 Å²	40.1	10%	0.096	21%	0.211	C	C	.	.	H	α-helix	trans	-57.2	-45.1	175.1	-66.9	-9.2	0	0	0	110.4	Y192 R211 L218 L219 V480	Y192-D215 VanDerWaalsContact CE1-OD1 3.22Å; Y192-D215 WeakPolarHBondContact CE1-OD1 3.44Å; Y192-D215 PolarHBondContact OH-OD1 3.12Å; R211-D215 WeakPolarHBondContact O-CB 3.26Å; R211-D215 PolarHBondContact O-N 3.08Å; D215-L218 PolarHBondContact O-N 3.08Å; D215-L219 WeakPolarHBondContact O-CB 3.3Å; D215-L219 WeakPolarHBondContact O-CG 3.19Å; D215-L219 PolarHBondContact O-N 3.04Å; D215-V480 HydrophobicContact CB-CG1 3.85Å
216	A	96.9	Very high	94.3	Very high	25 Å²	25	43.5 Å²	43.5	21%	0.207	22%	0.217	C	C	.	.	H	α-helix	trans	-62.7	-45.8	-178.3	0	0	0	0	0	112.9	I212 F213 M214 S220 L277	I212-A216 VanDerWaalsContact O-CB 3.24Å; I212-A216 WeakPolarHBondContact O-CB 3.46Å; I212-A216 PolarHBondContact O-N 3.23Å; F213-A216 PolarHBondContact O-N 2.79Å; M214-A216 VanDerWaalsContact C-N 3.29Å; M214-A216 PolarHBondContact O-N 2.93Å; A216-S220 VanDerWaalsContact O-CB 3.23Å; A216-S220 WeakPolarHBondContact O-CB 3.46Å; A216-S220 PolarHBondContact O-N 3.03Å; A216-L277 HydrophobicContact CB-CD1 3.74Å
217	I	98.1	Very high	95.2	Very high	1 Å²	1	35 Å²	35	1%	0.005	18%	0.177	C	C	.	.	H	α-helix	trans	-70.3	-39	179.2	-171.6	59.8	0	0	0	112.3	F213 M214 S220 L221 T273 L277 F453 Y456	F213-I217 PolarHBondContact O-N 3.03Å; M214-I217 HydrophobicContact CE-CG2 4.48Å; M214-I217 VanDerWaalsContact O-CG2 3.29Å; M214-I217 WeakPolarHBondContact O-CG2 3.44Å; M214-I217 PolarHBondContact O-N 2.94Å; M214-I217 HydrophobicContact SD-CG2 4.29Å; I217-S220 PolarHBondContact O-N 3.23Å; I217-L221 HydrophobicContact CG1-CD1 4.21Å; I217-L221 WeakPolarHBondContact O-CG 3.37Å; I217-L221 PolarHBondContact O-N 2.75Å; I217-T273 HydrophobicContact CB-CG2 3.8Å; I217-T273 HydrophobicContact CD1-CG2 4.34Å; I217-T273 HydrophobicContact CG1-CG2 4.11Å; I217-T273 HydrophobicContact CG2-CG2 4.25Å; I217-L277 HydrophobicContact CB-CD1 4.23Å; I217-L277 HydrophobicContact CD1-CD2 4.14Å; I217-F453 HydrophobicContact CD1-CD1 4.08Å; I217-F453 HydrophobicContact CD1-CE1 3.67Å; I217-F453 HydrophobicContact CD1-CZ 3.98Å; I217-Y456 HydrophobicContact CD1-CD2 4.12Å; I217-Y456 HydrophobicContact CD1-CE2 4.43Å; I217-Y456 HydrophobicContact CG1-CD1 4.43Å; I217-Y456 HydrophobicContact CG1-CD2 3.61Å; I217-Y456 HydrophobicContact CG1-CE2 3.77Å; I217-Y456 HydrophobicContact CG1-CG 3.96Å; I217-Y456 HydrophobicContact CG2-CE1 4.22Å; I217-Y456 HydrophobicContact CG2-CE2 4.46Å
218	L	98.4	Very high	95.9	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.005	16%	0.156	C	C	.	.	H	α-helix	trans	-61.6	-47.9	175.5	-72	173.1	0	0	0	111.3	Y192 L194 V199 M214 D215 S220 L221 T222 F232 F460	Y192-L218 HydrophobicContact CD1-CD1 3.69Å; Y192-L218 HydrophobicContact CE1-CD1 3.76Å; Y192-L218 HydrophobicContact CG-CD1 4.23Å; L194-L218 HydrophobicContact CD1-CD2 4.13Å; V199-L218 HydrophobicContact CG1-CB 4.29Å; V199-L218 HydrophobicContact CG1-CD1 3.74Å; V199-L218 HydrophobicContact CG2-CB 4.03Å; M214-L218 HydrophobicContact CE-CD1 3.8Å; M214-L218 HydrophobicContact CE-CD2 3.75Å; M214-L218 HydrophobicContact CE-CG 3.63Å; M214-L218 HydrophobicContact CG-CD1 4.1Å; M214-L218 WeakPolarHBondContact O-CB 3.33Å; M214-L218 VanDerWaalsContact O-CG 3.29Å; M214-L218 WeakPolarHBondContact O-CG 3.38Å; M214-L218 PolarHBondContact O-N 3.26Å; M214-L218 VanDerWaalsContact O-N 3.08Å; D215-L218 PolarHBondContact O-N 3.08Å; L218-S220 VanDerWaalsContact C-N 3.3Å; L218-S220 PolarHBondContact O-N 3.21Å; L218-L221 PolarHBondContact O-N 2.82Å; L218-T222 WeakPolarHBondContact O-CG2 3.39Å; L218-T222 PolarHBondContact O-N 2.76Å; L218-T222 PolarHBondContact O-OG1 3.07Å; L218-F232 HydrophobicContact CD1-CZ 4Å; L218-F232 HydrophobicContact CD2-CZ 4.02Å; L218-F460 HydrophobicContact CD2-CE1 4.49Å; L218-F460 HydrophobicContact CD2-CE2 3.81Å; L218-F460 HydrophobicContact CD2-CZ 3.8Å
219	L	97.5	Very high	96.5	Very high	17 Å²	17	31.2 Å²	31.2	9%	0.089	16%	0.164	C	C	.	.	H	α-helix	trans	-64.6	-35.5	176.7	-69.8	171.4	0	0	0	112	V199 D215 T222 R223 V480	V199-L219 HydrophobicContact CG2-CD2 4.14Å; D215-L219 WeakPolarHBondContact O-CB 3.3Å; D215-L219 WeakPolarHBondContact O-CG 3.19Å; D215-L219 PolarHBondContact O-N 3.04Å; L219-T222 WeakPolarHBondContact CA-OG1 3.46Å; L219-T222 PolarHBondContact O-OG1 2.78Å; L219-R223 WeakPolarHBondContact O-CG 3.5Å; L219-R223 PolarHBondContact O-N 2.91Å; L219-R223 PolarHBondContact O-NH1 3.16Å; L219-V480 HydrophobicContact CD1-CG1 3.93Å; L219-V480 HydrophobicContact CD2-CG1 4.45Å; L219-V480 HydrophobicContact CG-CG1 4.28Å
220	S	97.5	Very high	96.9	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-64.9	-42	176	-173.3	0	0	0	0	112	E135 A216 I217 L218 K224 F453	E135-S220 WeakPolarHBondContact OE1-CB 3.35Å; E135-S220 PolarHBondContact OE1-OG 2.5Å; A216-S220 VanDerWaalsContact O-CB 3.23Å; A216-S220 WeakPolarHBondContact O-CB 3.46Å; A216-S220 PolarHBondContact O-N 3.03Å; I217-S220 PolarHBondContact O-N 3.23Å; L218-S220 VanDerWaalsContact C-N 3.3Å; L218-S220 PolarHBondContact O-N 3.21Å; S220-K224 WeakPolarHBondContact O-CD 3.35Å; S220-K224 WeakPolarHBondContact O-CG 3.5Å; S220-K224 PolarHBondContact O-NZ 2.93Å; S220-K224 PolarHBondContact OG-NZ 2.86Å; S220-F453 WeakPolarHBondContact OG-CE1 3.43Å; S220-F453 VanDerWaalsContact OG-CZ 3.29Å; S220-F453 WeakPolarHBondContact OG-CZ 3.35Å
221	L	98.3	Very high	97.2	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-66.7	-47.7	176.3	-79.6	164.9	0	0	0	112.3	W147 I217 L218 R223 K224 V225 M227 F453 F457 F460	W147-L221 HydrophobicContact CH2-CD2 4.25Å; W147-L221 HydrophobicContact CZ2-CD2 4.44Å; I217-L221 HydrophobicContact CG1-CD1 4.21Å; I217-L221 WeakPolarHBondContact O-CG 3.37Å; I217-L221 PolarHBondContact O-N 2.75Å; L218-L221 PolarHBondContact O-N 2.82Å; L221-R223 PolarHBondContact O-N 3.09Å; L221-R223 VanDerWaalsContact O-N 3.16Å; L221-K224 PolarHBondContact O-N 2.75Å; L221-V225 HydrophobicContact CD2-CG1 4.39Å; L221-V225 PolarHBondContact O-N 2.81Å; L221-M227 HydrophobicContact CB-CE 4.36Å; L221-M227 HydrophobicContact CB-CG 4.3Å; L221-M227 HydrophobicContact CB-SD 3.77Å; L221-M227 HydrophobicContact CD1-CE 4.09Å; L221-M227 HydrophobicContact CD1-SD 4.44Å; L221-M227 HydrophobicContact CD2-SD 4.42Å; L221-M227 HydrophobicContact CG-SD 4.45Å; L221-F453 HydrophobicContact CD2-CD1 3.72Å; L221-F453 HydrophobicContact CD2-CE1 4.32Å; L221-F453 HydrophobicContact CG-CD1 4.16Å; L221-F453 HydrophobicContact CG-CE1 4.34Å; L221-F457 HydrophobicContact CD2-CB 4.29Å; L221-F457 HydrophobicContact CD2-CD2 4.4Å; L221-F460 HydrophobicContact CD1-CD2 4.09Å; L221-F460 HydrophobicContact CD1-CE2 3.85Å
222	T	97.3	Very high	97.4	Very high	12 Å²	12	20 Å²	20	7%	0.074	10%	0.102	C	C	.	.	H	α-helix	trans	-63.1	-23.4	-178.2	56.5	0	0	0	0	113.4	P140 L194 N197 V199 L218 L219 M227	P140-T222 WeakPolarHBondContact CB-O 3.33Å; L194-T222 HydrophobicContact CD2-CG2 4.13Å; N197-T222 PolarHBondContact ND2-O 2.99Å; V199-T222 HydrophobicContact CG2-CG2 4.13Å; L218-T222 WeakPolarHBondContact O-CG2 3.39Å; L218-T222 PolarHBondContact O-N 2.76Å; L218-T222 PolarHBondContact O-OG1 3.07Å; L219-T222 WeakPolarHBondContact CA-OG1 3.46Å; L219-T222 PolarHBondContact O-OG1 2.78Å; T222-M227 HydrophobicContact CG2-CB 4.37Å; T222-M227 HydrophobicContact CG2-CG 3.77Å
223	R	95.8	Very high	97.6	Very high	40 Å²	40	16.2 Å²	16.2	15%	0.151	8%	0.083	C	C	.	.	H	α-helix	trans	-74.8	-25.4	171	-74.2	-169.2	-59.6	-87.8	6.5	113.8	E135 N136 D138 C139 P140 L219 L221	E135-R223 PolarHBondContact O-NE 3.28Å; E135-R223 IonicContact OE1-CZ 2.69Å; E135-R223 IonicContact OE1-NH2 2.79Å; E135-R223 PolarHBondContact OE1-NH2 2.87Å; N136-R223 WeakPolarHBondContact O-CD 3.34Å; D138-R223 HydrophobicContact CB-CG 4.32Å; C139-R223 CarbonylContact C-O 3.58Å; C139-R223 PolarHBondContact N-O 3.18Å; C139-R223 VanDerWaalsContact N-O 3.15Å; P140-R223 WeakPolarHBondContact CA-O 3.44Å; P140-R223 VanDerWaalsContact N-O 3.1Å; L219-R223 WeakPolarHBondContact O-CG 3.5Å; L219-R223 PolarHBondContact O-N 2.91Å; L219-R223 PolarHBondContact O-NH1 3.16Å; L221-R223 PolarHBondContact O-N 3.09Å; L221-R223 VanDerWaalsContact O-N 3.16Å
224	K	95.8	Very high	97.7	Very high	5 Å²	5	14.8 Å²	14.8	2%	0.022	8%	0.077	C	C	.	.	H	α-helix	trans	-99.2	-37.3	-171.2	-68.8	171	-178	55.3	0	113.3	V44 E135 P140 L141 S220 L221 F453	V44-K224 HydrophobicContact CB-CD 4.36Å; V44-K224 HydrophobicContact CB-CG 4.07Å; V44-K224 HydrophobicContact CG1-CD 4.35Å; V44-K224 HydrophobicContact CG1-CG 3.98Å; V44-K224 WeakPolarHBondContact O-CD 3.2Å; V44-K224 WeakPolarHBondContact O-CE 3.36Å; E135-K224 IonicContact OE1-NZ 3.21Å; E135-K224 PolarHBondContact OE1-NZ 3.2Å; E135-K224 WeakPolarHBondContact OE2-CE 3.5Å; E135-K224 IonicContact OE2-NZ 2.81Å; E135-K224 PolarHBondContact OE2-NZ 2.88Å; P140-K224 WeakPolarHBondContact CA-O 3.46Å; L141-K224 PolarHBondContact N-O 2.93Å; S220-K224 WeakPolarHBondContact O-CD 3.35Å; S220-K224 WeakPolarHBondContact O-CG 3.5Å; S220-K224 PolarHBondContact O-NZ 2.93Å; S220-K224 PolarHBondContact OG-NZ 2.86Å; L221-K224 PolarHBondContact O-N 2.75Å; K224-F453 HydrophobicContact CD-CD1 4.35Å; K224-F453 HydrophobicContact CD-CE1 3.94Å; K224-F453 HydrophobicContact CD-CZ 4.46Å
225	V	97.3	Very high	97.7	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.077	C	C	.	.	B	Isolated β-bridge	trans	-148.7	145.8	-173	58.4	0	0	0	0	109.6	L141 W147 N197 L221 M227 F457	L141-V225 WeakPolarHBondContact O-CA 3.44Å; W147-V225 HydrophobicContact CB-CB 4.2Å; W147-V225 HydrophobicContact CB-CG2 3.66Å; W147-V225 HydrophobicContact CD2-CB 3.84Å; W147-V225 HydrophobicContact CD2-CG1 3.95Å; W147-V225 HydrophobicContact CD2-CG2 3.98Å; W147-V225 HydrophobicContact CE3-CG1 4.33Å; W147-V225 HydrophobicContact CE3-CG2 4.4Å; W147-V225 HydrophobicContact CG-CB 3.65Å; W147-V225 HydrophobicContact CG-CG1 4.3Å; W147-V225 HydrophobicContact CG-CG2 3.65Å; W147-V225 HydrophobicContact CZ2-CG1 4.28Å; N197-V225 PolarHBondContact OD1-O 2.93Å; L221-V225 HydrophobicContact CD2-CG1 4.39Å; L221-V225 PolarHBondContact O-N 2.81Å; V225-M227 HydrophobicContact CG1-SD 4.02Å; V225-M227 PolarHBondContact O-N 2.88Å; V225-M227 VanDerWaalsContact O-N 3.15Å; V225-F457 HydrophobicContact CB-CE2 4.21Å; V225-F457 HydrophobicContact CG1-CD2 3.53Å; V225-F457 HydrophobicContact CG1-CE2 3.51Å; V225-F457 HydrophobicContact CG2-CD2 4.37Å; V225-F457 HydrophobicContact CG2-CE2 3.6Å; V225-F457 HydrophobicContact CG2-CZ 4.08Å
226	K	97.6	Very high	97.5	Very high	102 Å²	102	14.3 Å²	14.3	44%	0.443	7%	0.074	S	C	.	.			trans	-65.9	113.6	172.4	-176.2	176.7	-179.4	180	0	109.1	L141	L141-K226 PolarHBondContact O-N 3.05Å
227	M	98.1	Very high	97.3	Very high	3 Å²	3	14 Å²	14	2%	0.015	7%	0.073	C	C	.	.	P	Polyproline II helix	trans	-77.2	147.3	176.6	-65.1	-58.2	-70	0	0	111.1	L194 N197 L221 T222 V225 F457 F460	L194-M227 HydrophobicContact CD1-CB 4.12Å; L194-M227 HydrophobicContact CD1-CE 4.29Å; N197-M227 PolarHBondContact OD1-N 3.5Å; L221-M227 HydrophobicContact CB-CE 4.36Å; L221-M227 HydrophobicContact CB-CG 4.3Å; L221-M227 HydrophobicContact CB-SD 3.77Å; L221-M227 HydrophobicContact CD1-CE 4.09Å; L221-M227 HydrophobicContact CD1-SD 4.44Å; L221-M227 HydrophobicContact CD2-SD 4.42Å; L221-M227 HydrophobicContact CG-SD 4.45Å; T222-M227 HydrophobicContact CG2-CB 4.37Å; T222-M227 HydrophobicContact CG2-CG 3.77Å; V225-M227 HydrophobicContact CG1-SD 4.02Å; V225-M227 PolarHBondContact O-N 2.88Å; V225-M227 VanDerWaalsContact O-N 3.15Å; M227-F457 HydrophobicContact CE-CD2 4.22Å; M227-F457 HydrophobicContact SD-CD2 3.59Å; M227-F457 VanDerWaalsContact SD-CD2 3.59Å; M227-F457 HydrophobicContact SD-CE2 3.67Å; M227-F460 HydrophobicContact CE-CB 3.84Å; M227-F460 HydrophobicContact CE-CD2 3.45Å; M227-F460 VanDerWaalsContact CE-CD2 3.45Å; M227-F460 HydrophobicContact CE-CE2 4.37Å; M227-F460 HydrophobicContact CE-CG 4.03Å
228	P	97.9	Very high	97	Very high	35 Å²	35	16.5 Å²	16.5	23%	0.227	9%	0.086	C	C	.	.	P	Polyproline II helix	trans	-64.7	149.3	170.2	30.8	-36.5	0	0	0	110.4	A464	P228-A464 HydrophobicContact CB-CB 3.67Å; P228-A464 HydrophobicContact CG-CB 3.83Å
229	D	98.6	Very high	96.8	Very high	52 Å²	52	23.3 Å²	23.3	28%	0.278	11%	0.112	S	C	.	.	P	Polyproline II helix	trans	-69.2	131.4	168.8	-71.8	-7.8	0	0	0	108.7	L194 K195 D196 P471	L194-D229 CarbonylContact O-C 3.58Å; L194-D229 VanDerWaalsContact O-CA 3.23Å; L194-D229 WeakPolarHBondContact O-CA 3.34Å; K195-D229 WeakPolarHBondContact CA-OD1 3.38Å; K195-D229 HydrophobicContact CD-CB 4.35Å; K195-D229 WeakPolarHBondContact CD-OD2 3.23Å; K195-D229 WeakPolarHBondContact CE-OD2 3.35Å; K195-D229 IonicContact NZ-OD2 3.9Å; K195-D229 PolarHBondContact NZ-OD2 2.77Å; D196-D229 PolarHBondContact N-OD1 3.13Å; D229-P471 HydrophobicContact CB-CG 4.13Å
230	M	98.3	Very high	96.7	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.7	154.7	177.7	58.5	172.8	-162.6	0	0	112.5	T193 L194 F232 F460 Y463 A464	T193-M230 WeakPolarHBondContact CA-O 3.42Å; L194-M230 HydrophobicContact CB-CG 4.13Å; L194-M230 HydrophobicContact CD1-CE 3.27Å; L194-M230 HydrophobicContact CD1-CG 4.14Å; L194-M230 HydrophobicContact CD1-SD 4.44Å; L194-M230 HydrophobicContact CG-CE 4.19Å; L194-M230 PolarHBondContact N-O 3.01Å; L194-M230 PolarHBondContact O-N 3.01Å; M230-F232 HydrophobicContact CE-CD1 3.51Å; M230-F232 HydrophobicContact CE-CE1 3.22Å; M230-F232 HydrophobicContact CE-CG 4.3Å; M230-F232 HydrophobicContact CE-CZ 3.77Å; M230-F232 HydrophobicContact CG-CD1 4.06Å; M230-F232 HydrophobicContact CG-CE1 4.3Å; M230-F232 HydrophobicContact SD-CD1 4.13Å; M230-F232 HydrophobicContact SD-CE1 4.37Å; M230-F460 HydrophobicContact CE-CB 3.59Å; M230-F460 HydrophobicContact CE-CD1 3.06Å; M230-F460 HydrophobicContact CE-CD2 4.25Å; M230-F460 HydrophobicContact CE-CE1 3.74Å; M230-F460 HydrophobicContact CE-CG 3.37Å; M230-F460 HydrophobicContact SD-CB 3.77Å; M230-F460 HydrophobicContact SD-CD1 3.91Å; M230-F460 HydrophobicContact SD-CG 4.16Å; M230-Y463 HydrophobicContact SD-CD1 4.13Å; M230-A464 HydrophobicContact CB-CB 3.93Å; M230-A464 HydrophobicContact SD-CB 4.45Å
231	E	98.3	Very high	96.5	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	128.5	172	-170.4	177.2	142.4	0	0	111.5	P172 A176 H191 Y192 Y463 Q467 P471 R474	P172-E231 HydrophobicContact CB-CB 4.26Å; A176-E231 WeakPolarHBondContact CB-OE1 3.23Å; H191-E231 IonicContact CE1-OE1 2.96Å; H191-E231 PolarHBondContact CE1-OE1 3.4Å; H191-E231 WeakPolarHBondContact NE2-CG 3.38Å; H191-E231 IonicContact NE2-OE1 2.78Å; H191-E231 PolarHBondContact NE2-OE1 3.18Å; Y192-E231 WeakPolarHBondContact O-CA 3.4Å; E231-Y463 WeakPolarHBondContact O-CE1 3.22Å; E231-Y463 PolarHBondContact O-OH 2.82Å; E231-Q467 VanDerWaalsContact N-NE2 3.15Å; E231-Q467 VanDerWaalsContact N-OE1 3.08Å; E231-Q467 PolarHBondContact O-NE2 3.08Å; E231-P471 HydrophobicContact CB-CB 4.17Å; E231-R474 VanDerWaalsContact CD-NE 3.27Å; E231-R474 IonicContact OE1-CZ 3.29Å; E231-R474 VanDerWaalsContact OE1-CZ 3.29Å; E231-R474 IonicContact OE1-NE 2.68Å; E231-R474 PolarHBondContact OE1-NE 2.57Å; E231-R474 IonicContact OE1-NH2 3.11Å; E231-R474 PolarHBondContact OE1-NH2 3.44Å; E231-R474 VanDerWaalsContact OE1-NH2 3.11Å; E231-R474 IonicContact OE2-CZ 3.41Å; E231-R474 IonicContact OE2-NE 3.16Å; E231-R474 PolarHBondContact OE2-NE 2.94Å; E231-R474 VanDerWaalsContact OE2-NE 3.16Å; E231-R474 IonicContact OE2-NH2 2.85Å; E231-R474 PolarHBondContact OE2-NH2 3Å
232	F	98.8	Very high	96.3	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	162	-172.9	63.6	-75.7	0	0	0	113.3	Y192 L194 M214 L218 M230 V234 F254 F460 Y463	Y192-F232 VanDerWaalsContact CB-CE1 3.44Å; Y192-F232 HydrophobicContact CD2-CE2 4.02Å; Y192-F232 HydrophobicContact CD2-CZ 4.26Å; Y192-F232 HydrophobicContact CG-CE1 4.42Å; Y192-F232 HydrophobicContact CG-CE2 4.12Å; Y192-F232 AromaticContact CG-CZ 3.88Å; Y192-F232 HydrophobicContact CG-CZ 3.88Å; Y192-F232 PolarHBondContact N-O 3.28Å; Y192-F232 PolarHBondContact O-N 2.82Å; L194-F232 HydrophobicContact CD1-CE1 4.4Å; L194-F232 HydrophobicContact CG-CE1 4.27Å; M214-F232 HydrophobicContact CE-CE2 3.83Å; M214-F232 HydrophobicContact CE-CZ 4.21Å; L218-F232 HydrophobicContact CD1-CZ 4Å; L218-F232 HydrophobicContact CD2-CZ 4.02Å; M230-F232 HydrophobicContact CE-CD1 3.51Å; M230-F232 HydrophobicContact CE-CE1 3.22Å; M230-F232 HydrophobicContact CE-CG 4.3Å; M230-F232 HydrophobicContact CE-CZ 3.77Å; M230-F232 HydrophobicContact CG-CD1 4.06Å; M230-F232 HydrophobicContact CG-CE1 4.3Å; M230-F232 HydrophobicContact SD-CD1 4.13Å; M230-F232 HydrophobicContact SD-CE1 4.37Å; F232-V234 HydrophobicContact CD2-CG2 3.7Å; F232-V234 HydrophobicContact CE2-CG2 3.55Å; F232-F254 HydrophobicContact CD2-CD2 4.28Å; F232-F254 HydrophobicContact CD2-CE2 4.4Å; F232-F460 HydrophobicContact CE2-CE1 4.1Å; F232-F460 HydrophobicContact CZ-CE1 4.26Å; F232-Y463 HydrophobicContact CB-CD1 4.3Å; F232-Y463 HydrophobicContact CB-CE1 3.56Å
233	F	98.4	Very high	96	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	135	179.4	-79.4	-95.9	0	0	0	111.5	I175 I179 P180 L189 C190 H191 F254	I175-F233 HydrophobicContact CB-CE2 4.44Å; I175-F233 HydrophobicContact CD1-CD2 4.29Å; I175-F233 HydrophobicContact CD1-CE2 4.44Å; I175-F233 HydrophobicContact CG1-CE2 4.25Å; I179-F233 HydrophobicContact CB-CD1 4.23Å; I179-F233 HydrophobicContact CB-CD2 4.24Å; I179-F233 HydrophobicContact CB-CE1 4.18Å; I179-F233 HydrophobicContact CB-CE2 4.21Å; I179-F233 HydrophobicContact CB-CG 4.22Å; I179-F233 HydrophobicContact CB-CZ 4.16Å; I179-F233 HydrophobicContact CD1-CB 4.06Å; I179-F233 HydrophobicContact CD1-CD2 3.55Å; I179-F233 HydrophobicContact CD1-CE2 4.11Å; I179-F233 HydrophobicContact CD1-CG 3.85Å; I179-F233 HydrophobicContact CG1-CD2 4.42Å; I179-F233 HydrophobicContact CG2-CB 4.16Å; I179-F233 HydrophobicContact CG2-CD1 3.66Å; I179-F233 HydrophobicContact CG2-CD2 4.29Å; I179-F233 HydrophobicContact CG2-CE1 4.01Å; I179-F233 HydrophobicContact CG2-CG 3.77Å; I179-F233 HydrophobicContact CG2-CZ 4.46Å; P180-F233 HydrophobicContact CG-CE1 3.72Å; P180-F233 HydrophobicContact CG-CZ 3.71Å; L189-F233 HydrophobicContact CD1-CB 4.25Å; L189-F233 HydrophobicContact CD1-CD1 4.05Å; L189-F233 HydrophobicContact CD2-CD1 3.73Å; L189-F233 HydrophobicContact CD2-CE1 4.03Å; L189-F233 HydrophobicContact CG-CD1 3.87Å; C190-F233 CarbonylContact O-C 3.51Å; C190-F233 WeakPolarHBondContact O-CA 3.28Å; H191-F233 HydrophobicContact CB-CD1 3.94Å; H191-F233 HydrophobicContact CB-CE1 3.46Å; H191-F233 VanDerWaalsContact CB-CE1 3.46Å; H191-F233 HydrophobicContact CB-CE2 4.45Å; H191-F233 HydrophobicContact CB-CZ 3.76Å; H191-F233 AromaticContact CD2-CE2 3.65Å; H191-F233 AromaticContact CD2-CZ 3.74Å; H191-F233 AromaticContact CE1-CE2 3.8Å; H191-F233 AromaticContact CE1-CZ 3.66Å; H191-F233 AromaticContact CG-CE1 3.63Å; H191-F233 AromaticContact CG-CE2 3.79Å; H191-F233 AromaticContact CG-CZ 3.35Å; H191-F233 AromaticContact ND1-CE1 3.94Å; H191-F233 AromaticContact ND1-CE2 3.89Å; H191-F233 AromaticContact ND1-CZ 3.32Å; H191-F233 VanDerWaalsContact ND1-CZ 3.32Å; H191-F233 WeakPolarHBondContact ND1-CZ 3.04Å; H191-F233 AromaticContact NE2-CE2 3.69Å; H191-F233 AromaticContact NE2-CZ 3.93Å; F233-F254 WeakPolarHBondContact O-CB 3.38Å; F233-F254 PolarHBondContact O-N 2.8Å
234	V	98.2	Very high	95.5	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	121	178.7	-180	0	0	0	0	109.3	C190 Y192 M214 F232 L236 F254 M267	C190-V234 PolarHBondContact N-O 3.27Å; C190-V234 PolarHBondContact O-N 3.15Å; Y192-V234 HydrophobicContact CD2-CB 4.25Å; Y192-V234 HydrophobicContact CD2-CG2 3.78Å; Y192-V234 HydrophobicContact CE2-CB 4.05Å; Y192-V234 HydrophobicContact CE2-CG2 3.9Å; M214-V234 HydrophobicContact CE-CG2 4.31Å; M214-V234 HydrophobicContact CG-CG1 4.34Å; M214-V234 HydrophobicContact CG-CG2 4.16Å; M214-V234 HydrophobicContact SD-CG1 4.4Å; M214-V234 HydrophobicContact SD-CG2 4.2Å; F232-V234 HydrophobicContact CD2-CG2 3.7Å; F232-V234 HydrophobicContact CE2-CG2 3.55Å; V234-L236 HydrophobicContact CG1-CD2 3.89Å; V234-F254 WeakPolarHBondContact CA-O 3.27Å; V234-F254 HydrophobicContact CG2-CB 4.17Å; V234-M267 HydrophobicContact CG1-CE 3.47Å; V234-M267 VanDerWaalsContact CG1-CE 3.47Å
235	N	96.8	Very high	94.2	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	123.2	165.9	170.8	37.7	0	0	0	109.4	G237 W239 L241 I253 F254 S255	N235-G237 PolarHBondContact OD1-N 3.34Å; N235-W239 PolarHBondContact ND2-O 2.86Å; N235-L241 HydrophobicContact CB-CD1 3.86Å; N235-L241 HydrophobicContact CB-CG 4.13Å; N235-I253 HydrophobicContact CB-CG2 3.72Å; N235-F254 PolarHBondContact N-O 2.94Å; N235-S255 WeakPolarHBondContact CB-OG 3.45Å; N235-S255 PolarHBondContact ND2-OG 2.74Å
236	L	94.8	Very high	92.6	Very high	7 Å²	7	43.6 Å²	43.6	4%	0.037	21%	0.206	C	C	.	.			trans	-96.4	-7.9	177.4	-56.7	177.5	0	0	0	112.9	S188 C190 V208 F210 R211 V234 W256	S188-L236 WeakPolarHBondContact O-CB 3.31Å; S188-L236 PolarHBondContact O-N 3.26Å; C190-L236 WeakPolarHBondContact SG-CD1 3.4Å; V208-L236 HydrophobicContact CB-CD1 4.11Å; V208-L236 HydrophobicContact CG1-CD1 4.48Å; F210-L236 HydrophobicContact CB-CB 4.2Å; R211-L236 HydrophobicContact CB-CD1 3.9Å; V234-L236 HydrophobicContact CG1-CD2 3.89Å; L236-W256 HydrophobicContact CD2-CZ2 4.24Å
237	G	92.7	Very high	90.9	Very high	17 Å²	17	46.4 Å²	46.4	18%	0.175	23%	0.227	C	C	.	.	S	Bend	trans	-76.2	165.3	176.8	0	0	0	0	0	112.7	N235	N235-G237 PolarHBondContact OD1-N 3.34Å
238	D	91.3	Very high	89.3	Confident	55 Å²	55	50.5 Å²	50.5	29%	0.294	26%	0.261	S	S	.	.	S	Bend	trans	-65.4	-46.8	178.3	-75.7	-4.6	0	0	0	111.8	T371 V372	D238-T371 HydrophobicContact CB-CG2 3.86Å; D238-T371 WeakPolarHBondContact OD2-CB 3.35Å; D238-T371 PolarHBondContact OD2-OG1 3.1Å; D238-V372 HydrophobicContact CB-CG1 4.27Å; D238-V372 HydrophobicContact CB-CG2 4.21Å; D238-V372 WeakPolarHBondContact O-CG1 3.44Å
239	W	94.2	Very high	88.5	Confident	143 Å²	143	52.9 Å²	52.9	54%	0.542	27%	0.271	S	S	.	.	S	Bend	trans	-82.3	138.1	-172.6	-63.4	-84.1	0	0	0	112.6	N235 T371 V372	N235-W239 PolarHBondContact ND2-O 2.86Å; W239-T371 HydrophobicContact CD2-CG2 3.93Å; W239-T371 HydrophobicContact CE3-CG2 4.35Å; W239-T371 HydrophobicContact CH2-CG2 3.6Å; W239-T371 HydrophobicContact CZ2-CG2 3.08Å; W239-T371 HydrophobicContact CZ3-CG2 4.19Å; W239-V372 HydrophobicContact CG-CG1 4.39Å
240	P	95.3	Very high	88.3	Confident	16 Å²	16	52.8 Å²	52.8	10%	0.104	27%	0.27	C	S	.	.			trans	-62.2	147.5	168.3	25.3	-32	0	0	0	111.3	C257 S262 D264	P240-C257 WeakPolarHBondContact CB-O 3.32Å; P240-S262 WeakPolarHBondContact CB-OG 3.31Å; P240-D264 WeakPolarHBondContact CA-OD1 3.25Å; P240-D264 HydrophobicContact CB-CB 4.19Å; P240-D264 WeakPolarHBondContact CB-OD2 3.39Å
241	L	93.6	Very high	88.1	Confident	15 Å²	15	53.3 Å²	53.3	8%	0.079	27%	0.273	C	S	.	.			trans	-101.2	-40.5	-169.7	-62.2	-171.2	0	0	0	113.8	F183 Q187 N235 K243 I253 D264	F183-L241 HydrophobicContact CB-CD1 4.26Å; F183-L241 HydrophobicContact CD1-CB 4.04Å; F183-L241 HydrophobicContact CD1-CD1 4.07Å; F183-L241 HydrophobicContact CE1-CB 3.84Å; F183-L241 HydrophobicContact CG-CD1 4.23Å; F183-L241 HydrophobicContact CZ-CB 4.35Å; Q187-L241 HydrophobicContact CB-CD1 4.13Å; Q187-L241 HydrophobicContact CB-CD2 4.44Å; Q187-L241 HydrophobicContact CG-CD1 4.01Å; Q187-L241 HydrophobicContact CG-CD2 3.76Å; N235-L241 HydrophobicContact CB-CD1 3.86Å; N235-L241 HydrophobicContact CB-CG 4.13Å; L241-K243 PolarHBondContact O-N 3.41Å; L241-K243 VanDerWaalsContact O-N 3.16Å; L241-I253 HydrophobicContact CB-CD1 4.16Å; L241-I253 HydrophobicContact CD1-CD1 4.33Å; L241-I253 HydrophobicContact CD1-CG2 4.37Å; L241-D264 VanDerWaalsContact N-CG 3.35Å; L241-D264 PolarHBondContact N-OD1 3.01Å; L241-D264 PolarHBondContact N-OD2 3.44Å; L241-D264 VanDerWaalsContact N-OD2 3.11Å
242	E	94	Very high	88.1	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.274	C	S	.	.			trans	-87.9	89.7	-169.1	-168.6	58.6	-119	0	0	110.9	R182 F183 I250 H251 S262 K263 D264	R182-E242 IonicContact CZ-OE1 3.17Å; R182-E242 VanDerWaalsContact CZ-OE1 3.25Å; R182-E242 IonicContact CZ-OE2 2.66Å; R182-E242 VanDerWaalsContact NH1-CD 3.3Å; R182-E242 IonicContact NH1-OE1 2.78Å; R182-E242 PolarHBondContact NH1-OE1 3.5Å; R182-E242 IonicContact NH1-OE2 2.63Å; R182-E242 PolarHBondContact NH1-OE2 3.19Å; R182-E242 IonicContact NH2-OE1 2.75Å; R182-E242 PolarHBondContact NH2-OE1 3.13Å; R182-E242 IonicContact NH2-OE2 2.74Å; F183-E242 WeakPolarHBondContact CZ-OE2 3.48Å; E242-I250 HydrophobicContact CG-CB 3.94Å; E242-I250 HydrophobicContact CG-CG2 4.11Å; E242-H251 PolarHBondContact OE2-N 3.4Å; E242-S262 CarbonylContact O-C 3.15Å; E242-S262 WeakPolarHBondContact O-CA 3.27Å; E242-S262 WeakPolarHBondContact O-CB 3.49Å; E242-K263 HydrophobicContact CB-CB 4.43Å; E242-K263 HydrophobicContact CG-CB 4.13Å; E242-K263 PolarHBondContact O-N 3.43Å; E242-D264 PolarHBondContact N-OD2 3.43Å
243	K	91.2	Very high	88	Confident	143 Å²	143	53.5 Å²	53.5	62%	0.622	27%	0.274	S	S	*	.	B	Isolated β-bridge	trans	-69.7	140.5	-177.6	-62.8	-175.9	179.8	-178.8	0	112.9	L241 K245 S246 D261	L241-K243 PolarHBondContact O-N 3.41Å; L241-K243 VanDerWaalsContact O-N 3.16Å; K243-K245 PolarHBondContact O-N 3.45Å; K243-K245 VanDerWaalsContact O-N 3.08Å; K243-S246 PolarHBondContact O-N 2.87Å; K243-D261 CarbonylContact C-O 3.41Å; K243-D261 WeakPolarHBondContact CA-O 3.47Å
244	K	84.1	Confident	88	Confident	85 Å²	85	53.5 Å²	53.5	37%	0.37	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-27.3	-179.9	-75.8	-171.7	180	179.8	0	115.7	S246 N247 T260 D261 S262 K263	K244-S246 PolarHBondContact O-N 2.94Å; K244-S246 VanDerWaalsContact O-N 3.14Å; K244-N247 PolarHBondContact O-OD1 3.01Å; K244-T260 VanDerWaalsContact CD-O 3.22Å; K244-T260 WeakPolarHBondContact CD-O 3.34Å; K244-T260 WeakPolarHBondContact CE-O 3.24Å; K244-T260 PolarHBondContact NZ-O 3.31Å; K244-D261 PolarHBondContact N-O 3.05Å; K244-S262 VanDerWaalsContact CE-O 3.29Å; K244-S262 WeakPolarHBondContact CE-O 3.22Å; K244-K263 HydrophobicContact CG-CD 4.01Å; K244-K263 HydrophobicContact CG-CG 4Å
245	K	69.3	Low	88	Confident	204 Å²	204	53.5 Å²	53.5	89%	0.887	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-5.7	-174.7	-67.7	-173.4	178.6	-177.8	0	114.5	K243 N247	K243-K245 PolarHBondContact O-N 3.45Å; K243-K245 VanDerWaalsContact O-N 3.08Å; K245-N247 PolarHBondContact O-N 3.29Å
246	S	63.4	Low	88	Confident	37 Å²	37	53.5 Å²	53.5	26%	0.259	27%	0.274	S	S	.	.			trans	-89.7	82.1	177.6	-170.5	0	0	0	0	110.7	K243 K244 A248 N249 I250	K243-S246 PolarHBondContact O-N 2.87Å; K244-S246 PolarHBondContact O-N 2.94Å; K244-S246 VanDerWaalsContact O-N 3.14Å; S246-A248 VanDerWaalsContact C-N 3.28Å; S246-A248 PolarHBondContact O-N 2.96Å; S246-N249 PolarHBondContact OG-O 3.17Å; S246-I250 WeakPolarHBondContact O-CG2 3.26Å
247	N	61.2	Low	88.2	Confident	162 Å²	162	53.2 Å²	53.2	87%	0.866	27%	0.273	S	S	*	.	S	Bend	trans	-74.1	-6.2	-170.5	-78.7	-1.9	0	0	0	116	K244 K245	K244-N247 PolarHBondContact O-OD1 3.01Å; K245-N247 PolarHBondContact O-N 3.29Å
248	A	64.3	Low	88.4	Confident	88 Å²	88	52.4 Å²	52.4	73%	0.727	26%	0.264	S	S	*	.	S	Bend	trans	-122.2	-18	-175.4	0	0	0	0	0	115.3	S246	S246-A248 VanDerWaalsContact C-N 3.28Å; S246-A248 PolarHBondContact O-N 2.96Å
249	N	82.2	Confident	88.6	Confident	85 Å²	85	50.2 Å²	50.2	46%	0.455	25%	0.253	S	S	.	.			trans	-145.6	64.1	-173.4	-73.2	-37.5	0	0	0	110.9	R182 S246	R182-N249 PolarHBondContact NH1-O 2.66Å; S246-N249 PolarHBondContact OG-O 3.17Å
250	I	93.3	Very high	88.7	Confident	50 Å²	50	46.7 Å²	46.7	26%	0.256	25%	0.247	S	C	.	.			trans	-81.2	151.5	169.2	56.8	174.1	0	0	0	110.5	H166 F167 E242 S246	H166-I250 HydrophobicContact CB-CD1 4.01Å; F167-I250 HydrophobicContact CD1-CD1 4.18Å; F167-I250 HydrophobicContact CD1-CG1 4.25Å; F167-I250 HydrophobicContact CE1-CB 4.09Å; F167-I250 HydrophobicContact CE1-CD1 3.66Å; F167-I250 HydrophobicContact CE1-CG1 3.69Å; F167-I250 HydrophobicContact CZ-CD1 4.13Å; F167-I250 HydrophobicContact CZ-CG1 4.5Å; E242-I250 HydrophobicContact CG-CB 3.94Å; E242-I250 HydrophobicContact CG-CG2 4.11Å; S246-I250 WeakPolarHBondContact O-CG2 3.26Å
251	H	95.5	Very high	88.7	Confident	11 Å²	11	50.6 Å²	50.6	5%	0.051	27%	0.268	C	S	.	.			trans	-121.3	141.6	178.1	-61	-27.8	0	0	0	111.7	F167 E178 I179 E242 I253	F167-H251 WeakPolarHBondContact CZ-O 3.44Å; E178-H251 IonicContact OE2-CE1 3.69Å; E178-H251 PolarHBondContact OE2-CE1 3Å; E178-H251 IonicContact OE2-ND1 2.86Å; E178-H251 IonicContact OE2-NE2 3.69Å; I179-H251 HydrophobicContact CD1-CB 3.75Å; I179-H251 HydrophobicContact CG1-CB 3.62Å; E242-H251 PolarHBondContact OE2-N 3.4Å; H251-I253 HydrophobicContact CB-CG1 4.42Å; H251-I253 PolarHBondContact O-N 3.37Å; H251-I253 VanDerWaalsContact O-N 3.14Å
252	P	97.2	Very high	88.7	Confident	5 Å²	5	50.1 Å²	50.1	3%	0.032	27%	0.265	C	S	.	.			trans	-74.5	104.3	176.4	29.9	-33.3	0	0	0	109.8	F167 V170 I175 I265 Y463	F167-P252 HydrophobicContact CD1-CB 4.04Å; F167-P252 HydrophobicContact CD1-CG 4.47Å; F167-P252 HydrophobicContact CD2-CB 4.25Å; F167-P252 HydrophobicContact CE1-CB 4.16Å; F167-P252 HydrophobicContact CE2-CB 4.37Å; F167-P252 HydrophobicContact CG-CB 4.08Å; F167-P252 HydrophobicContact CZ-CB 4.32Å; V170-P252 HydrophobicContact CG1-CG 4.03Å; V170-P252 HydrophobicContact CG2-CB 4.49Å; V170-P252 HydrophobicContact CG2-CG 4.03Å; I175-P252 HydrophobicContact CG2-CG 4.17Å; P252-I265 HydrophobicContact CB-CD1 3.65Å; P252-Y463 HydrophobicContact CB-CE2 3.65Å; P252-Y463 HydrophobicContact CG-CE2 4.08Å; P252-Y463 WeakPolarHBondContact CG-OH 3.37Å
253	I	97.8	Very high	88.8	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	127.2	177.5	-61.1	173.8	0	0	0	108.5	I179 F183 N235 L241 H251 D264 I265	I179-I253 HydrophobicContact CD1-CG1 4.2Å; I179-I253 HydrophobicContact CG2-CD1 4.1Å; I179-I253 HydrophobicContact CG2-CG1 4.28Å; F183-I253 HydrophobicContact CD2-CD1 3.56Å; F183-I253 HydrophobicContact CE2-CD1 3.41Å; F183-I253 VanDerWaalsContact CE2-CD1 3.41Å; F183-I253 HydrophobicContact CG-CD1 4.22Å; F183-I253 HydrophobicContact CZ-CD1 3.98Å; N235-I253 HydrophobicContact CB-CG2 3.72Å; L241-I253 HydrophobicContact CB-CD1 4.16Å; L241-I253 HydrophobicContact CD1-CD1 4.33Å; L241-I253 HydrophobicContact CD1-CG2 4.37Å; H251-I253 HydrophobicContact CB-CG1 4.42Å; H251-I253 PolarHBondContact O-N 3.37Å; H251-I253 VanDerWaalsContact O-N 3.14Å; I253-D264 CarbonylContact O-C 3.58Å; I253-D264 WeakPolarHBondContact O-CA 3.04Å; I253-I265 PolarHBondContact O-N 3.09Å
254	F	98.7	Very high	89.1	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	128.8	178.5	-73	35	0	0	0	108.4	F232 F233 V234 N235 I265 M267 L459 F460 Y463	F232-F254 HydrophobicContact CD2-CD2 4.28Å; F232-F254 HydrophobicContact CD2-CE2 4.4Å; F233-F254 WeakPolarHBondContact O-CB 3.38Å; F233-F254 PolarHBondContact O-N 2.8Å; V234-F254 WeakPolarHBondContact CA-O 3.27Å; V234-F254 HydrophobicContact CG2-CB 4.17Å; N235-F254 PolarHBondContact N-O 2.94Å; F254-I265 CarbonylContact C-O 3.55Å; F254-I265 VanDerWaalsContact CA-O 3.3Å; F254-I265 WeakPolarHBondContact CA-O 3.09Å; F254-I265 HydrophobicContact CD1-CB 3.99Å; F254-I265 HydrophobicContact CD1-CD1 3.91Å; F254-I265 HydrophobicContact CD1-CG2 4.29Å; F254-I265 HydrophobicContact CE1-CB 4.25Å; F254-I265 HydrophobicContact CE1-CD1 3.61Å; F254-I265 HydrophobicContact CE1-CG2 4.22Å; F254-M267 HydrophobicContact CB-CE 4.33Å; F254-M267 HydrophobicContact CB-SD 4.21Å; F254-L459 HydrophobicContact CD2-CD2 3.86Å; F254-L459 HydrophobicContact CD2-CG 4.46Å; F254-L459 HydrophobicContact CE2-CD1 4.13Å; F254-L459 HydrophobicContact CE2-CD2 3.56Å; F254-L459 HydrophobicContact CE2-CG 3.66Å; F254-L459 HydrophobicContact CZ-CD1 4.09Å; F254-L459 HydrophobicContact CZ-CD2 4.34Å; F254-L459 HydrophobicContact CZ-CG 4.09Å; F254-F460 HydrophobicContact CD2-CE1 4.07Å; F254-F460 AromaticContact CE2-CD1 3.78Å; F254-F460 HydrophobicContact CE2-CD1 3.78Å; F254-F460 AromaticContact CE2-CE1 3.56Å; F254-F460 HydrophobicContact CE2-CE1 3.56Å; F254-Y463 HydrophobicContact CE1-CD1 4.25Å; F254-Y463 AromaticContact CE1-CD2 3.73Å; F254-Y463 HydrophobicContact CE1-CD2 3.73Å; F254-Y463 HydrophobicContact CE1-CE1 4.31Å; F254-Y463 AromaticContact CE1-CE2 3.81Å; F254-Y463 HydrophobicContact CE1-CE2 3.81Å; F254-Y463 AromaticContact CE1-CG 3.95Å; F254-Y463 HydrophobicContact CE1-CG 3.95Å; F254-Y463 AromaticContact CZ-CD1 3.93Å; F254-Y463 HydrophobicContact CZ-CD1 3.93Å; F254-Y463 AromaticContact CZ-CD2 3.91Å; F254-Y463 HydrophobicContact CZ-CD2 3.91Å; F254-Y463 HydrophobicContact CZ-CE1 4.39Å; F254-Y463 HydrophobicContact CZ-CE2 4.37Å; F254-Y463 AromaticContact CZ-CG 3.65Å; F254-Y463 HydrophobicContact CZ-CG 3.65Å
255	S	98.1	Very high	89.8	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	149.3	-176.8	-75.8	0	0	0	0	111.3	N235 C257 D264 I265 V266 M267	N235-S255 WeakPolarHBondContact CB-OG 3.45Å; N235-S255 PolarHBondContact ND2-OG 2.74Å; S255-C257 PolarHBondContact O-N 3.34Å; S255-D264 PolarHBondContact OG-OD1 3.14Å; S255-I265 PolarHBondContact N-O 3.21Å; S255-V266 WeakPolarHBondContact O-CA 3.49Å; S255-M267 WeakPolarHBondContact O-CG 3.18Å; S255-M267 PolarHBondContact O-N 3.41Å; S255-M267 VanDerWaalsContact O-N 3.12Å
256	W	96.8	Very high	91.2	Very high	1 Å²	1	31.5 Å²	31.5	0%	0.004	19%	0.185	C	C	.	.	S	Bend	trans	-66.9	-25	175.4	-52	116.6	0	0	0	113.2	M214 L236 M267 P268 T269 Y270 Y375 Y456	M214-W256 HydrophobicContact CB-CH2 4.34Å; M214-W256 HydrophobicContact SD-CH2 4.21Å; L236-W256 HydrophobicContact CD2-CZ2 4.24Å; W256-M267 HydrophobicContact CD2-CE 3.59Å; W256-M267 HydrophobicContact CE3-CE 3.45Å; W256-M267 VanDerWaalsContact CE3-CE 3.45Å; W256-M267 HydrophobicContact CE3-CG 3.89Å; W256-M267 HydrophobicContact CE3-SD 4.05Å; W256-M267 HydrophobicContact CG-CE 4.38Å; W256-M267 HydrophobicContact CH2-CE 3.59Å; W256-M267 HydrophobicContact CH2-SD 4.13Å; W256-M267 HydrophobicContact CZ2-CE 3.69Å; W256-M267 HydrophobicContact CZ3-CE 3.47Å; W256-M267 VanDerWaalsContact CZ3-CE 3.47Å; W256-M267 HydrophobicContact CZ3-CG 4.06Å; W256-M267 HydrophobicContact CZ3-SD 3.74Å; W256-P268 WeakPolarHBondContact CZ3-O 3.41Å; W256-T269 WeakPolarHBondContact O-CG2 3.47Å; W256-Y270 HydrophobicContact CD2-CD1 4.31Å; W256-Y270 VanDerWaalsContact CE3-N 3.31Å; W256-Y270 HydrophobicContact CG-CD1 4.21Å; W256-Y375 WeakPolarHBondContact CB-OH 3.43Å; W256-Y456 WeakPolarHBondContact CZ3-OH 3.32Å
257	C	97.3	Very high	92.9	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.007	17%	0.172	C	C	.	.			trans	-138.6	135.4	-178.4	-173.2	0	0	0	0	110.2	P240 S255 V372	P240-C257 WeakPolarHBondContact CB-O 3.32Å; S255-C257 PolarHBondContact O-N 3.34Å; C257-V372 HydrophobicContact CB-CB 4.13Å; C257-V372 HydrophobicContact CB-CG2 3.98Å
258	G	97.3	Very high	94.6	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	175.2	168.9	0	0	0	0	0	112.1	Y394 Y395	G258-Y394 WeakPolarHBondContact O-CA 3.29Å; G258-Y395 PolarHBondContact N-O 3.33Å; G258-Y395 PolarHBondContact O-N 3.34Å; G258-Y395 VanDerWaalsContact O-N 3.1Å
259	S	96.7	Very high	96.2	Very high	8 Å²	8	17.9 Å²	17.9	6%	0.056	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	155.6	170.6	73.9	0	0	0	0	111.5	D261 S262 I393 Y395	S259-D261 PolarHBondContact O-N 2.86Å; S259-D261 PolarHBondContact OG-N 2.94Å; S259-S262 PolarHBondContact N-OG 3.14Å; S259-S262 PolarHBondContact O-N 3.35Å; S259-S262 PolarHBondContact O-OG 3.25Å; S259-S262 VanDerWaalsContact OG-CB 3.29Å; S259-S262 WeakPolarHBondContact OG-CB 3.16Å; S259-S262 PolarHBondContact OG-N 3.46Å; S259-S262 PolarHBondContact OG-OG 2.97Å; S259-I393 CarbonylContact C-O 3.59Å; S259-I393 WeakPolarHBondContact CA-O 3.27Å; S259-Y395 VanDerWaalsContact C-CE1 3.42Å; S259-Y395 VanDerWaalsContact N-CE1 3.34Å
260	T	95.3	Very high	96.9	Very high	69 Å²	69	16 Å²	16	42%	0.423	8%	0.083	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-4.9	171.5	60.1	0	0	0	0	113.1	K244 I393	K244-T260 VanDerWaalsContact CD-O 3.22Å; K244-T260 WeakPolarHBondContact CD-O 3.34Å; K244-T260 WeakPolarHBondContact CE-O 3.24Å; K244-T260 PolarHBondContact NZ-O 3.31Å; T260-I393 PolarHBondContact N-O 2.75Å; T260-I393 VanDerWaalsContact OG1-CB 3.25Å; T260-I393 WeakPolarHBondContact OG1-CB 3.26Å; T260-I393 VanDerWaalsContact OG1-CG2 3.31Å; T260-I393 WeakPolarHBondContact OG1-CG2 3.03Å
261	D	94.5	Very high	97.1	Very high	99 Å²	99	16.5 Å²	16.5	53%	0.529	9%	0.086	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.1	5.1	175.1	-72.1	-33.1	0	0	0	113.4	K243 K244 S259	K243-D261 CarbonylContact C-O 3.41Å; K243-D261 WeakPolarHBondContact CA-O 3.47Å; K244-D261 PolarHBondContact N-O 3.05Å; S259-D261 PolarHBondContact O-N 2.86Å; S259-D261 PolarHBondContact OG-N 2.94Å
262	S	95.2	Very high	97.2	Very high	4 Å²	4	16 Å²	16	3%	0.028	8%	0.084	C	C	.	.	B	Isolated β-bridge	trans	-122.7	172.4	178.7	66.9	0	0	0	0	113.4	P240 E242 K244 S259 D264	P240-S262 WeakPolarHBondContact CB-OG 3.31Å; E242-S262 CarbonylContact O-C 3.15Å; E242-S262 WeakPolarHBondContact O-CA 3.27Å; E242-S262 WeakPolarHBondContact O-CB 3.49Å; K244-S262 VanDerWaalsContact CE-O 3.29Å; K244-S262 WeakPolarHBondContact CE-O 3.22Å; S259-S262 PolarHBondContact N-OG 3.14Å; S259-S262 PolarHBondContact O-N 3.35Å; S259-S262 PolarHBondContact O-OG 3.25Å; S259-S262 VanDerWaalsContact OG-CB 3.29Å; S259-S262 WeakPolarHBondContact OG-CB 3.16Å; S259-S262 PolarHBondContact OG-N 3.46Å; S259-S262 PolarHBondContact OG-OG 2.97Å; S262-D264 WeakPolarHBondContact CB-OD2 3.14Å
263	K	95.9	Very high	97.2	Very high	42 Å²	42	15.8 Å²	15.8	18%	0.183	8%	0.083	C	C	.	.			trans	-128.9	7.8	-179.8	-64.9	-58.7	-161.5	-179.9	0	112.4	H166 F167 E242 K244	H166-K263 PolarHBondContact CE1-NZ 2.74Å; H166-K263 PolarHBondContact NE2-NZ 2.91Å; F167-K263 WeakPolarHBondContact CE2-O 3.36Å; F167-K263 HydrophobicContact CZ-CB 4.5Å; F167-K263 WeakPolarHBondContact CZ-O 3.35Å; E242-K263 HydrophobicContact CB-CB 4.43Å; E242-K263 HydrophobicContact CG-CB 4.13Å; E242-K263 PolarHBondContact O-N 3.43Å; K244-K263 HydrophobicContact CG-CD 4.01Å; K244-K263 HydrophobicContact CG-CG 4Å
264	D	97.6	Very high	97.2	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.087	C	C	.	.	P	Polyproline II helix	trans	-54.1	145.7	171.6	-60.6	-124.6	0	0	0	111.4	P240 L241 E242 I253 S255 S262	P240-D264 WeakPolarHBondContact CA-OD1 3.25Å; P240-D264 HydrophobicContact CB-CB 4.19Å; P240-D264 WeakPolarHBondContact CB-OD2 3.39Å; L241-D264 VanDerWaalsContact N-CG 3.35Å; L241-D264 PolarHBondContact N-OD1 3.01Å; L241-D264 PolarHBondContact N-OD2 3.44Å; L241-D264 VanDerWaalsContact N-OD2 3.11Å; E242-D264 PolarHBondContact N-OD2 3.43Å; I253-D264 CarbonylContact O-C 3.58Å; I253-D264 WeakPolarHBondContact O-CA 3.04Å; S255-D264 PolarHBondContact OG-OD1 3.14Å; S262-D264 WeakPolarHBondContact CB-OD2 3.14Å
265	I	98.7	Very high	97.1	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	117.3	177.4	-59.3	161.5	0	0	0	107.9	D163 L164 F167 P252 I253 F254 S255 L459 Y463	D163-I265 HydrophobicContact CB-CB 4.38Å; D163-I265 HydrophobicContact CB-CG1 4.35Å; D163-I265 HydrophobicContact CB-CG2 4.14Å; L164-I265 HydrophobicContact CD2-CD1 3.69Å; L164-I265 HydrophobicContact CD2-CG1 4.12Å; L164-I265 HydrophobicContact CD2-CG2 4.14Å; F167-I265 HydrophobicContact CD2-CD1 4Å; F167-I265 HydrophobicContact CD2-CG1 4.19Å; F167-I265 HydrophobicContact CE2-CD1 3.97Å; F167-I265 HydrophobicContact CE2-CG1 3.81Å; P252-I265 HydrophobicContact CB-CD1 3.65Å; I253-I265 PolarHBondContact O-N 3.09Å; F254-I265 CarbonylContact C-O 3.55Å; F254-I265 VanDerWaalsContact CA-O 3.3Å; F254-I265 WeakPolarHBondContact CA-O 3.09Å; F254-I265 HydrophobicContact CD1-CB 3.99Å; F254-I265 HydrophobicContact CD1-CD1 3.91Å; F254-I265 HydrophobicContact CD1-CG2 4.29Å; F254-I265 HydrophobicContact CE1-CB 4.25Å; F254-I265 HydrophobicContact CE1-CD1 3.61Å; F254-I265 HydrophobicContact CE1-CG2 4.22Å; S255-I265 PolarHBondContact N-O 3.21Å; I265-L459 HydrophobicContact CG2-CD1 3.51Å; I265-L459 HydrophobicContact CG2-CD2 4.42Å; I265-Y463 HydrophobicContact CD1-CD2 4.17Å; I265-Y463 HydrophobicContact CD1-CE2 4.12Å
266	V	98.5	Very high	97	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	130.1	-169.9	-173.1	0	0	0	0	111	D163 S255 Y395 H397 Y455	D163-V266 PolarHBondContact OD2-N 2.79Å; S255-V266 WeakPolarHBondContact O-CA 3.49Å; V266-Y395 HydrophobicContact CB-CE2 4.32Å; V266-Y395 HydrophobicContact CG2-CD2 4.2Å; V266-Y395 HydrophobicContact CG2-CE2 3.49Å; V266-Y395 VanDerWaalsContact CG2-CE2 3.49Å; V266-H397 HydrophobicContact CG1-CB 4.12Å; V266-Y455 WeakPolarHBondContact O-CE1 3.01Å; V266-Y455 PolarHBondContact O-OH 2.94Å
267	M	98	Very high	97	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.095	C	C	.	.			trans	-114.7	163.3	174.8	56.3	178	175.1	0	0	111.2	M214 V234 F254 S255 W256 T269 Y456 L459	M214-M267 HydrophobicContact SD-CE 4.39Å; M214-M267 HydrophobicContact SD-SD 3.94Å; V234-M267 HydrophobicContact CG1-CE 3.47Å; V234-M267 VanDerWaalsContact CG1-CE 3.47Å; F254-M267 HydrophobicContact CB-CE 4.33Å; F254-M267 HydrophobicContact CB-SD 4.21Å; S255-M267 WeakPolarHBondContact O-CG 3.18Å; S255-M267 PolarHBondContact O-N 3.41Å; S255-M267 VanDerWaalsContact O-N 3.12Å; W256-M267 HydrophobicContact CD2-CE 3.59Å; W256-M267 HydrophobicContact CE3-CE 3.45Å; W256-M267 VanDerWaalsContact CE3-CE 3.45Å; W256-M267 HydrophobicContact CE3-CG 3.89Å; W256-M267 HydrophobicContact CE3-SD 4.05Å; W256-M267 HydrophobicContact CG-CE 4.38Å; W256-M267 HydrophobicContact CH2-CE 3.59Å; W256-M267 HydrophobicContact CH2-SD 4.13Å; W256-M267 HydrophobicContact CZ2-CE 3.69Å; W256-M267 HydrophobicContact CZ3-CE 3.47Å; W256-M267 VanDerWaalsContact CZ3-CE 3.47Å; W256-M267 HydrophobicContact CZ3-CG 4.06Å; W256-M267 HydrophobicContact CZ3-SD 3.74Å; M267-T269 PolarHBondContact O-N 3.3Å; M267-Y456 HydrophobicContact CB-CE1 4.01Å; M267-Y456 HydrophobicContact SD-CE1 4.16Å; M267-L459 HydrophobicContact CB-CD2 4.04Å
268	P	98.4	Very high	97	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.105	C	C	.	.			trans	-51.3	139.7	170.8	-27	36.5	0	0	0	110.9	W256 I452 Y455 Y456	W256-P268 WeakPolarHBondContact CZ3-O 3.41Å; P268-I452 HydrophobicContact CB-CD1 4.28Å; P268-I452 HydrophobicContact CB-CG2 4.11Å; P268-I452 HydrophobicContact CG-CD1 4.33Å; P268-I452 HydrophobicContact CG-CG2 4.19Å; P268-Y455 VanDerWaalsContact CD-CD1 3.46Å; P268-Y455 HydrophobicContact CG-CD1 3.86Å; P268-Y455 HydrophobicContact CG-CG 4.1Å; P268-Y456 HydrophobicContact CB-CE2 3.81Å; P268-Y456 HydrophobicContact CG-CD2 4.09Å; P268-Y456 HydrophobicContact CG-CE2 3.71Å; P268-Y456 PolarHBondContact O-OH 2.78Å
269	T	97.9	Very high	96.8	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.106	C	C	.	.			trans	-64.9	155.9	-175.4	56.7	0	0	0	0	110.9	W256 M267 D271 L272 T273 Y375 E396	W256-T269 WeakPolarHBondContact O-CG2 3.47Å; M267-T269 PolarHBondContact O-N 3.3Å; T269-D271 PolarHBondContact O-N 3.02Å; T269-L272 PolarHBondContact O-N 2.88Å; T269-L272 PolarHBondContact OG1-N 3.02Å; T269-T273 VanDerWaalsContact O-CB 3.3Å; T269-T273 WeakPolarHBondContact O-CB 3.41Å; T269-T273 PolarHBondContact O-N 2.88Å; T269-T273 PolarHBondContact O-OG1 2.85Å; T269-Y375 HydrophobicContact CG2-CD1 3.47Å; T269-Y375 VanDerWaalsContact CG2-CD1 3.47Å; T269-Y375 HydrophobicContact CG2-CD2 4.32Å; T269-Y375 HydrophobicContact CG2-CE1 3.38Å; T269-Y375 HydrophobicContact CG2-CE2 4.25Å; T269-Y375 HydrophobicContact CG2-CG 3.96Å; T269-E396 HydrophobicContact CG2-CG 3.93Å; T269-E396 WeakPolarHBondContact CG2-OE2 3.47Å
270	Y	96.5	Very high	96.7	Very high	45 Å²	45	21.2 Å²	21.2	18%	0.176	11%	0.11	C	C	.	.	H	α-helix	trans	-58	-33.6	176.9	66.5	-105.6	0	0	0	111.5	F210 F213 W256 D274 Y375	F210-Y270 AromaticContact CD1-CD1 3.88Å; F210-Y270 HydrophobicContact CD1-CD1 3.88Å; F210-Y270 HydrophobicContact CD1-CD2 4.43Å; F210-Y270 AromaticContact CD1-CE1 3.89Å; F210-Y270 HydrophobicContact CD1-CE1 3.89Å; F210-Y270 HydrophobicContact CD1-CG 4.18Å; F210-Y270 HydrophobicContact CE1-CD1 4.07Å; F210-Y270 HydrophobicContact CE1-CD2 4.24Å; F210-Y270 AromaticContact CE1-CE1 3.62Å; F210-Y270 HydrophobicContact CE1-CE1 3.62Å; F210-Y270 AromaticContact CE1-CE2 3.9Å; F210-Y270 HydrophobicContact CE1-CE2 3.9Å; F210-Y270 HydrophobicContact CE1-CG 4.37Å; F210-Y270 AromaticContact CE1-CZ 3.59Å; F213-Y270 HydrophobicContact CD2-CD2 4.09Å; F213-Y270 HydrophobicContact CD2-CG 4.02Å; F213-Y270 AromaticContact CE2-CD2 3.89Å; F213-Y270 HydrophobicContact CE2-CD2 3.89Å; F213-Y270 HydrophobicContact CE2-CG 4.24Å; F213-Y270 HydrophobicContact CG-CG 4.46Å; F213-Y270 HydrophobicContact CZ-CD2 4.17Å; W256-Y270 HydrophobicContact CD2-CD1 4.31Å; W256-Y270 VanDerWaalsContact CE3-N 3.31Å; W256-Y270 HydrophobicContact CG-CD1 4.21Å; Y270-D274 WeakPolarHBondContact O-CB 3.26Å; Y270-D274 PolarHBondContact O-N 3.48Å; Y270-Y375 HydrophobicContact CD1-CE2 4.15Å; Y270-Y375 HydrophobicContact CE1-CD2 4.18Å; Y270-Y375 AromaticContact CE1-CE2 3.51Å; Y270-Y375 HydrophobicContact CE1-CE2 3.51Å; Y270-Y375 AromaticContact CZ-CE2 3.81Å
271	D	96.3	Very high	96.6	Very high	61 Å²	61	20 Å²	20	33%	0.326	11%	0.111	S	C	.	.	H	α-helix	trans	-69.4	-49.3	-178.3	-171.9	92.9	0	0	0	111.5	T269 T273 D274 S275 Y375 Y379	T269-D271 PolarHBondContact O-N 3.02Å; D271-T273 VanDerWaalsContact C-N 3.34Å; D271-T273 PolarHBondContact O-N 3.38Å; D271-D274 PolarHBondContact O-N 3.36Å; D271-S275 WeakPolarHBondContact O-CB 3.07Å; D271-S275 PolarHBondContact O-N 3.34Å; D271-Y375 HydrophobicContact CB-CD2 4.34Å; D271-Y379 PolarHBondContact O-OH 2.96Å; D271-Y379 WeakPolarHBondContact OD2-CE2 3.46Å; D271-Y379 PolarHBondContact OD2-OH 2.87Å
272	L	97.7	Very high	96.5	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-64.5	-40.7	176.5	-175.5	60.9	0	0	0	111.4	T269 S275 V276 M287 P378 Y379 I452	T269-L272 PolarHBondContact O-N 2.88Å; T269-L272 PolarHBondContact OG1-N 3.02Å; L272-S275 WeakPolarHBondContact O-CB 2.99Å; L272-S275 PolarHBondContact O-N 3.2Å; L272-S275 PolarHBondContact O-OG 2.97Å; L272-V276 PolarHBondContact O-N 2.77Å; L272-V276 VanDerWaalsContact O-N 3.16Å; L272-M287 HydrophobicContact CD1-CG 3.93Å; L272-M287 HydrophobicContact CD1-SD 3.99Å; L272-P378 HydrophobicContact CD1-CB 4.3Å; L272-P378 HydrophobicContact CD1-CG 4.39Å; L272-P378 HydrophobicContact CD2-CB 4.45Å; L272-Y379 HydrophobicContact CD1-CE1 4.4Å; L272-I452 HydrophobicContact CD2-CD1 3.6Å; L272-I452 HydrophobicContact CD2-CG1 4.36Å; L272-I452 HydrophobicContact CG-CD1 4.1Å; L272-I452 HydrophobicContact CG-CG1 4.34Å
273	T	97.7	Very high	96.4	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.006	12%	0.121	C	C	.	.	H	α-helix	trans	-62.7	-46.3	177.4	-56.7	0	0	0	0	111.6	I217 T269 D271 S275 V276 L277 Y456	I217-T273 HydrophobicContact CB-CG2 3.8Å; I217-T273 HydrophobicContact CD1-CG2 4.34Å; I217-T273 HydrophobicContact CG1-CG2 4.11Å; I217-T273 HydrophobicContact CG2-CG2 4.25Å; T269-T273 VanDerWaalsContact O-CB 3.3Å; T269-T273 WeakPolarHBondContact O-CB 3.41Å; T269-T273 PolarHBondContact O-N 2.88Å; T269-T273 PolarHBondContact O-OG1 2.85Å; D271-T273 VanDerWaalsContact C-N 3.34Å; D271-T273 PolarHBondContact O-N 3.38Å; T273-S275 VanDerWaalsContact C-N 3.29Å; T273-S275 PolarHBondContact O-N 2.86Å; T273-V276 PolarHBondContact O-N 3.25Å; T273-L277 HydrophobicContact CG2-CD1 4.06Å; T273-L277 WeakPolarHBondContact O-CG 3.34Å; T273-L277 PolarHBondContact O-N 2.03Å; T273-Y456 HydrophobicContact CG2-CE2 3.92Å; T273-Y456 WeakPolarHBondContact OG1-CE2 3.44Å; T273-Y456 PolarHBondContact OG1-OH 2.98Å
274	D	97.3	Very high	96.1	Very high	18 Å²	18	26.4 Å²	26.4	10%	0.096	14%	0.144	C	C	.	.	H	α-helix	trans	-61.2	-40.8	175.5	-161.3	54.8	0	0	0	111.2	F213 Y270 D271 V276 L277 E278 R282	F213-D274 HydrophobicContact CD1-CB 3.88Å; F213-D274 HydrophobicContact CE1-CB 3.88Å; Y270-D274 WeakPolarHBondContact O-CB 3.26Å; Y270-D274 PolarHBondContact O-N 3.48Å; D271-D274 PolarHBondContact O-N 3.36Å; D274-V276 PolarHBondContact O-N 2.73Å; D274-L277 PolarHBondContact O-N 3.35Å; D274-E278 WeakPolarHBondContact O-CB 3.03Å; D274-E278 PolarHBondContact O-N 2.74Å; D274-R282 VanDerWaalsContact CG-NH2 3.28Å; D274-R282 IonicContact OD1-CZ 3.63Å; D274-R282 IonicContact OD1-NH1 2.8Å; D274-R282 IonicContact OD1-NH2 2.98Å; D274-R282 PolarHBondContact OD1-NH2 2.84Å; D274-R282 IonicContact OD2-CZ 2.79Å; D274-R282 IonicContact OD2-NH1 3.53Å; D274-R282 PolarHBondContact OD2-NH1 3.36Å; D274-R282 IonicContact OD2-NH2 3.25Å; D274-R282 PolarHBondContact OD2-NH2 3.47Å; D274-R282 VanDerWaalsContact OD2-NH2 3.14Å
275	S	97	Very high	96.1	Very high	3 Å²	3	28.5 Å²	28.5	2%	0.021	16%	0.155	C	C	.	.	H	α-helix	trans	-58	-38.9	177.8	86.5	0	0	0	0	112.2	D271 L272 T273 T279 Y379	D271-S275 WeakPolarHBondContact O-CB 3.07Å; D271-S275 PolarHBondContact O-N 3.34Å; L272-S275 WeakPolarHBondContact O-CB 2.99Å; L272-S275 PolarHBondContact O-N 3.2Å; L272-S275 PolarHBondContact O-OG 2.97Å; T273-S275 VanDerWaalsContact C-N 3.29Å; T273-S275 PolarHBondContact O-N 2.86Å; S275-T279 PolarHBondContact O-N 2.76Å; S275-T279 VanDerWaalsContact O-N 3.1Å; S275-T279 PolarHBondContact O-OG1 3.09Å; S275-Y379 WeakPolarHBondContact CB-OH 3.21Å
276	V	97.1	Very high	96	Very high	11 Å²	11	28.5 Å²	28.5	7%	0.067	16%	0.155	C	C	.	.	H	α-helix	trans	-73	-47.5	178.5	170.7	0	0	0	0	111.7	L272 T273 D274 E278 I452 F453	L272-V276 PolarHBondContact O-N 2.77Å; L272-V276 VanDerWaalsContact O-N 3.16Å; T273-V276 PolarHBondContact O-N 3.25Å; D274-V276 PolarHBondContact O-N 2.73Å; V276-E278 VanDerWaalsContact C-N 3.31Å; V276-E278 PolarHBondContact O-N 3.15Å; V276-I452 HydrophobicContact CG2-CB 4.25Å; V276-I452 HydrophobicContact CG2-CG1 3.94Å; V276-F453 HydrophobicContact CG1-CD2 4.23Å; V276-F453 HydrophobicContact CG1-CE2 3.87Å
277	L	96.8	Very high	95.9	Very high	13 Å²	13	28.9 Å²	28.9	7%	0.068	16%	0.157	C	C	.	.	H	α-helix	trans	-63.9	-38.6	-178.3	-69	174.6	0	0	0	112.3	P46 R102 A216 I217 T273 D274 F453	P46-L277 VanDerWaalsContact CB-O 3.26Å; P46-L277 WeakPolarHBondContact CB-O 3.44Å; P46-L277 HydrophobicContact CG-CD2 4.05Å; R102-L277 PolarHBondContact NH1-O 3.48Å; A216-L277 HydrophobicContact CB-CD1 3.74Å; I217-L277 HydrophobicContact CB-CD1 4.23Å; I217-L277 HydrophobicContact CD1-CD2 4.14Å; T273-L277 HydrophobicContact CG2-CD1 4.06Å; T273-L277 WeakPolarHBondContact O-CG 3.34Å; T273-L277 PolarHBondContact O-N 2.03Å; D274-L277 PolarHBondContact O-N 3.35Å; L277-F453 HydrophobicContact CD2-CE2 4.45Å; L277-F453 HydrophobicContact CD2-CZ 3.81Å
278	E	95.8	Very high	95.9	Very high	46 Å²	46	29.3 Å²	29.3	22%	0.215	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	10.7	-174.2	-63.6	-63.3	160.4	0	0	113.4	D274 V276 M280 G281 R282 V283	D274-E278 WeakPolarHBondContact O-CB 3.03Å; D274-E278 PolarHBondContact O-N 2.74Å; V276-E278 VanDerWaalsContact C-N 3.31Å; V276-E278 PolarHBondContact O-N 3.15Å; E278-M280 PolarHBondContact O-N 3.37Å; E278-G281 CarbonylContact O-C 3.55Å; E278-G281 VanDerWaalsContact O-CA 3.26Å; E278-G281 WeakPolarHBondContact O-CA 3.15Å; E278-G281 PolarHBondContact O-N 2.76Å; E278-R282 HydrophobicContact CB-CG 3.97Å; E278-R282 HydrophobicContact CG-CG 3.9Å; E278-R282 IonicContact OE1-NE 2.8Å; E278-V283 VanDerWaalsContact C-CG2 3.48Å; E278-V283 HydrophobicContact CB-CB 4.34Å; E278-V283 HydrophobicContact CB-CG1 3.81Å; E278-V283 HydrophobicContact CB-CG2 3.82Å; E278-V283 VanDerWaalsContact O-CG2 3.25Å; E278-V283 WeakPolarHBondContact O-CG2 3.22Å
279	T	94.7	Very high	95.9	Very high	5 Å²	5	29.6 Å²	29.6	3%	0.031	16%	0.161	C	C	.	.	B	Isolated β-bridge	trans	-55.6	130.1	173.9	-67.6	0	0	0	0	109.8	A47 R102 S275 G281 M288	A47-T279 HydrophobicContact CB-CG2 3.57Å; R102-T279 PolarHBondContact NH1-O 2.95Å; S275-T279 PolarHBondContact O-N 2.76Å; S275-T279 VanDerWaalsContact O-N 3.1Å; S275-T279 PolarHBondContact O-OG1 3.09Å; T279-G281 PolarHBondContact O-N 3.26Å; T279-M288 HydrophobicContact CG2-CE 3.73Å
280	M	94.5	Very high	95.9	Very high	28 Å²	28	29.6 Å²	29.6	14%	0.138	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	60	12.9	-171.3	-56.3	176.3	70.6	0	0	114.9	A47 G86 Q88 R100 R102 E278	A47-M280 HydrophobicContact CB-CG 4.4Å; A47-M280 HydrophobicContact CB-SD 4.19Å; G86-M280 VanDerWaalsContact O-CE 3.26Å; G86-M280 WeakPolarHBondContact O-CE 3.43Å; Q88-M280 HydrophobicContact CB-CE 4.42Å; Q88-M280 HydrophobicContact CG-CE 4.01Å; R100-M280 HydrophobicContact CB-SD 3.95Å; R100-M280 HydrophobicContact CG-CE 4.46Å; R100-M280 HydrophobicContact CG-CG 4.29Å; R100-M280 HydrophobicContact CG-SD 3.55Å; R100-M280 VanDerWaalsContact CG-SD 3.55Å; R102-M280 HydrophobicContact CB-CB 4.08Å; R102-M280 HydrophobicContact CB-CE 4.42Å; R102-M280 HydrophobicContact CB-SD 4.21Å; E278-M280 PolarHBondContact O-N 3.37Å
281	G	91.8	Very high	96	Very high	43 Å²	43	27.5 Å²	27.5	44%	0.443	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.4	-118.3	170.2	0	0	0	0	0	110	E278 T279	E278-G281 CarbonylContact O-C 3.55Å; E278-G281 VanDerWaalsContact O-CA 3.26Å; E278-G281 WeakPolarHBondContact O-CA 3.15Å; E278-G281 PolarHBondContact O-N 2.76Å; T279-G281 PolarHBondContact O-N 3.26Å
282	R	92.9	Very high	96	Very high	155 Å²	155	25.3 Å²	25.3	59%	0.585	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-13.2	-176.3	65.6	176.3	169.9	76.5	-1	115.4	D274 E278	D274-R282 VanDerWaalsContact CG-NH2 3.28Å; D274-R282 IonicContact OD1-CZ 3.63Å; D274-R282 IonicContact OD1-NH1 2.8Å; D274-R282 IonicContact OD1-NH2 2.98Å; D274-R282 PolarHBondContact OD1-NH2 2.84Å; D274-R282 IonicContact OD2-CZ 2.79Å; D274-R282 IonicContact OD2-NH1 3.53Å; D274-R282 PolarHBondContact OD2-NH1 3.36Å; D274-R282 IonicContact OD2-NH2 3.25Å; D274-R282 PolarHBondContact OD2-NH2 3.47Å; D274-R282 VanDerWaalsContact OD2-NH2 3.14Å; E278-R282 HydrophobicContact CB-CG 3.97Å; E278-R282 HydrophobicContact CG-CG 3.9Å; E278-R282 IonicContact OE1-NE 2.8Å
283	V	92.5	Very high	95.9	Very high	31 Å²	31	28.8 Å²	28.8	19%	0.188	16%	0.162	C	C	.	.	B	Isolated β-bridge	trans	-96.3	142.1	179.1	-57.9	0	0	0	0	111.7	E278	E278-V283 VanDerWaalsContact C-CG2 3.48Å; E278-V283 HydrophobicContact CB-CB 4.34Å; E278-V283 HydrophobicContact CB-CG1 3.81Å; E278-V283 HydrophobicContact CB-CG2 3.82Å; E278-V283 VanDerWaalsContact O-CG2 3.25Å; E278-V283 WeakPolarHBondContact O-CG2 3.22Å
284	S	91.1	Very high	95.8	Very high	94 Å²	94	29 Å²	29	66%	0.657	16%	0.163	S	C	*	.	S	Bend	trans	-104.6	-22.9	174	57.6	0	0	0	0	113.3	S289	S284-S289 WeakPolarHBondContact O-CB 3.35Å; S284-S289 PolarHBondContact O-OG 3.1Å
285	L	95.9	Very high	95.7	Very high	44 Å²	44	30.1 Å²	30.1	23%	0.23	18%	0.179	C	C	.	.			trans	-96.5	113	174.6	-179.6	62.9	0	0	0	108.9	V290 F356 F357 Y379	L285-V290 HydrophobicContact CD1-CG2 3.59Å; L285-F356 HydrophobicContact CD1-CB 4.02Å; L285-F356 HydrophobicContact CD1-CD1 3.65Å; L285-F356 HydrophobicContact CD1-CE1 4.4Å; L285-F356 HydrophobicContact CD1-CG 3.93Å; L285-F356 HydrophobicContact CD2-CB 4.05Å; L285-F356 HydrophobicContact CD2-CD1 4.23Å; L285-F356 HydrophobicContact CD2-CD2 4.05Å; L285-F356 HydrophobicContact CD2-CG 3.82Å; L285-F357 HydrophobicContact CD1-CE1 4.13Å; L285-F357 HydrophobicContact CD1-CZ 4.46Å; L285-Y379 HydrophobicContact CD1-CD1 4.31Å; L285-Y379 HydrophobicContact CD1-CG 4.38Å; L285-Y379 HydrophobicContact CD2-CD2 4.16Å; L285-Y379 HydrophobicContact CD2-CE2 4.29Å; L285-Y379 HydrophobicContact CD2-CG 4.35Å; L285-Y379 HydrophobicContact CG-CD1 4.21Å; L285-Y379 HydrophobicContact CG-CE1 4.3Å; L285-Y379 HydrophobicContact CG-CG 4.35Å
286	D	97.1	Very high	95.6	Very high	1 Å²	1	32 Å²	32	1%	0.005	19%	0.191	C	C	.	.			trans	-150.2	166.1	175.3	68.7	79.2	0	0	0	109.5	R100 M288 S289 V290	R100-D286 IonicContact CZ-OD2 3.78Å; R100-D286 IonicContact NH1-OD1 3.94Å; R100-D286 PolarHBondContact NH1-OD1 3.32Å; R100-D286 IonicContact NH1-OD2 2.89Å; R100-D286 PolarHBondContact NH1-OD2 3.22Å; R100-D286 IonicContact NH2-OD2 2.75Å; D286-M288 PolarHBondContact O-N 2.96Å; D286-M288 WeakPolarHBondContact OD1-CA 3.39Å; D286-M288 WeakPolarHBondContact OD1-CB 3.4Å; D286-M288 PolarHBondContact OD1-N 2.91Å; D286-S289 PolarHBondContact O-N 3.09Å; D286-S289 PolarHBondContact OD1-N 3.32Å; D286-S289 WeakPolarHBondContact OD2-CB 3.43Å; D286-S289 PolarHBondContact OD2-OG 2.85Å; D286-V290 PolarHBondContact O-N 3.41Å; D286-V290 VanDerWaalsContact O-N 3.08Å
287	M	97.8	Very high	95.5	Very high	7 Å²	7	35.6 Å²	35.6	3%	0.034	22%	0.215	C	C	.	.	H	α-helix	trans	-59.2	-30.4	-175	-62.6	-61.3	-72.1	0	0	113.7	L272 Q291 P378 Y379 V382 A443 L447 M448	L272-M287 HydrophobicContact CD1-CG 3.93Å; L272-M287 HydrophobicContact CD1-SD 3.99Å; M287-Q291 WeakPolarHBondContact O-CG 3.25Å; M287-Q291 PolarHBondContact O-NE2 3.47Å; M287-P378 HydrophobicContact CE-CB 4.32Å; M287-P378 HydrophobicContact SD-CB 4.08Å; M287-Y379 HydrophobicContact SD-CD1 3.67Å; M287-Y379 HydrophobicContact SD-CE1 3.96Å; M287-V382 HydrophobicContact CE-CB 3.59Å; M287-V382 HydrophobicContact CE-CG1 3.82Å; M287-V382 HydrophobicContact CE-CG2 3.84Å; M287-V382 HydrophobicContact SD-CB 4.48Å; M287-V382 HydrophobicContact SD-CG1 4.06Å; M287-A443 HydrophobicContact CE-CB 4.16Å; M287-L447 HydrophobicContact CE-CB 3.69Å; M287-L447 HydrophobicContact CE-CD1 4.32Å; M287-L447 WeakPolarHBondContact CG-O 3.44Å; M287-M448 HydrophobicContact CB-SD 4.23Å
288	M	98	Very high	95.5	Very high	9 Å²	9	35.6 Å²	35.6	4%	0.044	21%	0.214	C	C	.	.	H	α-helix	trans	-81.8	-40.9	176.9	-67.8	175.3	-97.7	0	0	111.7	Y49 L90 I98 R100 T279 D286 V290 Q291 A292 M448	Y49-M288 VanDerWaalsContact CB-SD 3.54Å; Y49-M288 HydrophobicContact CD1-CE 4.11Å; Y49-M288 HydrophobicContact CD1-SD 4.11Å; Y49-M288 HydrophobicContact CD2-SD 4.37Å; Y49-M288 HydrophobicContact CG-CE 4.36Å; Y49-M288 HydrophobicContact CG-SD 3.75Å; L90-M288 HydrophobicContact CD1-CB 4.01Å; I98-M288 HydrophobicContact CD1-CB 4.17Å; I98-M288 HydrophobicContact CD1-CG 4.14Å; I98-M288 HydrophobicContact CG2-CG 4.12Å; I98-M288 HydrophobicContact CG2-SD 3.92Å; R100-M288 HydrophobicContact CB-SD 3.83Å; R100-M288 HydrophobicContact CG-SD 4.49Å; T279-M288 HydrophobicContact CG2-CE 3.73Å; D286-M288 PolarHBondContact O-N 2.96Å; D286-M288 WeakPolarHBondContact OD1-CA 3.39Å; D286-M288 WeakPolarHBondContact OD1-CB 3.4Å; D286-M288 PolarHBondContact OD1-N 2.91Å; M288-V290 VanDerWaalsContact C-N 3.3Å; M288-V290 PolarHBondContact O-N 2.89Å; M288-Q291 PolarHBondContact O-N 2.62Å; M288-A292 PolarHBondContact O-N 3.27Å; M288-M448 HydrophobicContact CG-CE 3.55Å; M288-M448 HydrophobicContact SD-CE 4.46Å
289	S	97.6	Very high	95.6	Very high	7 Å²	7	38.7 Å²	38.7	5%	0.049	23%	0.228	C	C	.	.	H	α-helix	trans	-60.6	-39.5	178.1	-67.9	0	0	0	0	111.8	R100 S284 D286 Q291 A292 N293	R100-S289 PolarHBondContact NH1-OG 3.45Å; R100-S289 PolarHBondContact NH2-OG 3.08Å; S284-S289 WeakPolarHBondContact O-CB 3.35Å; S284-S289 PolarHBondContact O-OG 3.1Å; D286-S289 PolarHBondContact O-N 3.09Å; D286-S289 PolarHBondContact OD1-N 3.32Å; D286-S289 WeakPolarHBondContact OD2-CB 3.43Å; D286-S289 PolarHBondContact OD2-OG 2.85Å; S289-Q291 VanDerWaalsContact C-N 3.34Å; S289-Q291 PolarHBondContact O-N 3.37Å; S289-A292 PolarHBondContact O-N 2.96Å; S289-N293 WeakPolarHBondContact O-CB 3.12Å; S289-N293 PolarHBondContact O-N 2.84Å; S289-N293 PolarHBondContact O-ND2 3.16Å
290	V	98.3	Very high	95.7	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-59.3	-45.1	176	170.3	0	0	0	0	111.5	L285 D286 M288 A292 N293 T294 F357 F360 Y379 V382	L285-V290 HydrophobicContact CD1-CG2 3.59Å; D286-V290 PolarHBondContact O-N 3.41Å; D286-V290 VanDerWaalsContact O-N 3.08Å; M288-V290 VanDerWaalsContact C-N 3.3Å; M288-V290 PolarHBondContact O-N 2.89Å; V290-A292 PolarHBondContact O-N 3.1Å; V290-A292 VanDerWaalsContact O-N 3.08Å; V290-N293 CarbonylContact O-C 3.47Å; V290-N293 PolarHBondContact O-N 2.48Å; V290-T294 WeakPolarHBondContact O-CG2 3.33Å; V290-T294 PolarHBondContact O-N 3.02Å; V290-F357 HydrophobicContact CG2-CE1 4.13Å; V290-F360 HydrophobicContact CG1-CE1 4.25Å; V290-F360 HydrophobicContact CG1-CE2 3.64Å; V290-F360 HydrophobicContact CG1-CZ 3.42Å; V290-F360 VanDerWaalsContact CG1-CZ 3.42Å; V290-F360 HydrophobicContact CG2-CE2 4.47Å; V290-Y379 HydrophobicContact CG2-CD1 4.41Å; V290-V382 HydrophobicContact CB-CG1 3.63Å; V290-V382 HydrophobicContact CG1-CG1 3.45Å; V290-V382 VanDerWaalsContact CG1-CG1 3.45Å; V290-V382 HydrophobicContact CG2-CG1 4.29Å
291	Q	97.8	Very high	95.9	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-62.3	-20.6	-177.7	-67.6	175.8	64.8	0	0	113.5	R92 I98 M287 M288 S289 V382	R92-Q291 WeakPolarHBondContact CA-O 3.41Å; R92-Q291 HydrophobicContact CG-CB 4.22Å; I98-Q291 HydrophobicContact CD1-CB 4.02Å; I98-Q291 HydrophobicContact CD1-CG 4.47Å; M287-Q291 WeakPolarHBondContact O-CG 3.25Å; M287-Q291 PolarHBondContact O-NE2 3.47Å; M288-Q291 PolarHBondContact O-N 2.62Å; S289-Q291 VanDerWaalsContact C-N 3.34Å; S289-Q291 PolarHBondContact O-N 3.37Å; Q291-V382 HydrophobicContact CG-CG2 3.63Å
292	A	96.1	Very high	96.2	Very high	16 Å²	16	43.3 Å²	43.3	13%	0.132	25%	0.249	C	C	.	.	H	α-helix	trans	-94.1	-15.2	176.9	0	0	0	0	0	113.5	L90 D91 M288 S289 V290	L90-A292 HydrophobicContact CB-CB 3.75Å; L90-A292 HydrophobicContact CD1-CB 4.34Å; L90-A292 HydrophobicContact CD2-CB 4.14Å; L90-A292 HydrophobicContact CG-CB 4.29Å; D91-A292 WeakPolarHBondContact O-CA 3.36Å; M288-A292 PolarHBondContact O-N 3.27Å; S289-A292 PolarHBondContact O-N 2.96Å; V290-A292 PolarHBondContact O-N 3.1Å; V290-A292 VanDerWaalsContact O-N 3.08Å
293	N	96.9	Very high	96.4	Very high	73 Å²	73	38.1 Å²	38.1	39%	0.39	24%	0.237	S	C	.	.			trans	-125.3	44.9	-170.4	-68.3	-81.9	0	0	0	110.7	S289 V290 G295 F357 F360	S289-N293 WeakPolarHBondContact O-CB 3.12Å; S289-N293 PolarHBondContact O-N 2.84Å; S289-N293 PolarHBondContact O-ND2 3.16Å; V290-N293 CarbonylContact O-C 3.47Å; V290-N293 PolarHBondContact O-N 2.48Å; N293-G295 PolarHBondContact O-N 2.83Å; N293-F357 HydrophobicContact CB-CB 4.09Å; N293-F357 HydrophobicContact CB-CD1 3.43Å; N293-F357 VanDerWaalsContact CB-CD1 3.43Å; N293-F357 HydrophobicContact CB-CD2 4.3Å; N293-F357 HydrophobicContact CB-CE1 3.88Å; N293-F357 HydrophobicContact CB-CG 3.68Å; N293-F357 HydrophobicContact CB-CZ 4.48Å; N293-F360 WeakPolarHBondContact O-CD2 3.49Å
294	T	95.4	Very high	96.7	Very high	5 Å²	5	37.9 Å²	37.9	3%	0.031	24%	0.236	C	C	.	.			trans	-84.8	13.1	-179.1	71.6	0	0	0	0	113.5	V290 K301 F360 D384	V290-T294 WeakPolarHBondContact O-CG2 3.33Å; V290-T294 PolarHBondContact O-N 3.02Å; T294-K301 PolarHBondContact O-NZ 2.97Å; T294-F360 WeakPolarHBondContact O-CB 3.18Å; T294-D384 WeakPolarHBondContact CB-OD1 3.45Å; T294-D384 VanDerWaalsContact CB-OD2 3.27Å; T294-D384 WeakPolarHBondContact CB-OD2 3.41Å; T294-D384 HydrophobicContact CG2-CB 4.26Å; T294-D384 PolarHBondContact OG1-OD2 3.14Å
295	G	93.7	Very high	97	Very high	41 Å²	41	33.4 Å²	33.4	42%	0.423	20%	0.204	S	C	.	.			trans	73.1	-154.9	176.9	0	0	0	0	0	113.7	N293	N293-G295 PolarHBondContact O-N 2.83Å
296	P	95.8	Very high	97.2	Very high	42 Å²	42	31.3 Å²	31.3	27%	0.273	19%	0.194	S	C	.	.	S	Bend	trans	-73.1	163.5	-178.3	32.3	-35.1	0	0	0	111.8	K301	P296-K301 HydrophobicContact CG-CG 4.07Å; P296-K301 WeakPolarHBondContact O-CE 3.42Å; P296-K301 PolarHBondContact O-NZ 2.9Å
297	P	95.3	Very high	97.2	Very high	88 Å²	88	31.3 Å²	31.3	57%	0.571	19%	0.193	S	C	*	.			trans	-52.2	151.1	171.3	-24.7	34.3	0	0	0	111.9	E299 S300 K301	P297-E299 PolarHBondContact O-N 2.68Å; P297-E299 VanDerWaalsContact O-N 3.08Å; P297-S300 CarbonylContact O-C 3.38Å; P297-S300 WeakPolarHBondContact O-CA 3.23Å; P297-S300 WeakPolarHBondContact O-CB 3.32Å; P297-S300 PolarHBondContact O-N 2.58Å; P297-K301 PolarHBondContact O-N 3.28Å
298	W	97.3	Very high	97.2	Very high	12 Å²	12	32.6 Å²	32.6	5%	0.045	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-45.5	-46.3	-174.3	175.6	-93.5	0	0	0	113.6	S300 K301 K363 V386 D429 A432 K433 A436	W298-S300 PolarHBondContact O-N 3.43Å; W298-K301 HydrophobicContact CE3-CD 4.38Å; W298-K301 WeakPolarHBondContact O-CB 3.35Å; W298-K301 PolarHBondContact O-N 2.68Å; W298-K301 VanDerWaalsContact O-N 3.08Å; W298-K363 HydrophobicContact CD2-CD 4.42Å; W298-K363 HydrophobicContact CD2-CG 4.35Å; W298-K363 HydrophobicContact CE3-CG 4.45Å; W298-K363 HydrophobicContact CH2-CB 4.06Å; W298-K363 HydrophobicContact CH2-CD 4.46Å; W298-K363 HydrophobicContact CH2-CG 4.3Å; W298-K363 HydrophobicContact CZ2-CB 4.32Å; W298-K363 HydrophobicContact CZ2-CD 3.88Å; W298-K363 HydrophobicContact CZ2-CG 4.18Å; W298-K363 HydrophobicContact CZ3-CB 4.33Å; W298-K363 HydrophobicContact CZ3-CG 4.43Å; W298-K363 WeakPolarHBondContact O-CE 3.46Å; W298-V386 HydrophobicContact CH2-CB 4.29Å; W298-V386 HydrophobicContact CH2-CG1 4.18Å; W298-D429 PolarHBondContact NE1-OD1 3.46Å; W298-D429 PolarHBondContact NE1-OD2 3.14Å; W298-A432 HydrophobicContact CH2-CB 4.28Å; W298-A432 HydrophobicContact CZ2-CB 4.18Å; W298-K433 HydrophobicContact CB-CD 4.27Å; W298-K433 HydrophobicContact CD2-CB 3.97Å; W298-K433 HydrophobicContact CD2-CD 4.18Å; W298-K433 HydrophobicContact CD2-CG 3.78Å; W298-K433 HydrophobicContact CE3-CB 4.42Å; W298-K433 HydrophobicContact CE3-CG 4.2Å; W298-K433 HydrophobicContact CG-CB 4.42Å; W298-K433 HydrophobicContact CG-CD 3.78Å; W298-K433 HydrophobicContact CG-CG 3.91Å; W298-K433 HydrophobicContact CH2-CB 4.3Å; W298-K433 HydrophobicContact CZ2-CB 3.83Å; W298-A436 HydrophobicContact CZ3-CB 4Å
299	E	96.9	Very high	97.2	Very high	112 Å²	112	32.5 Å²	32.5	52%	0.523	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-64.8	-23.8	-176.5	-64.8	65.5	-151.7	0	0	112.2	P297 K433	P297-E299 PolarHBondContact O-N 2.68Å; P297-E299 VanDerWaalsContact O-N 3.08Å; E299-K433 IonicContact OE1-NZ 3.01Å; E299-K433 PolarHBondContact OE1-NZ 3.29Å
300	S	97.7	Very high	97.1	Very high	87 Å²	87	38 Å²	38	61%	0.608	22%	0.218	S	C	*	.	G	3₁₀ helix	trans	-101.9	-2.1	178.9	-61	0	0	0	0	113.3	P297 W298	P297-S300 CarbonylContact O-C 3.38Å; P297-S300 WeakPolarHBondContact O-CA 3.23Å; P297-S300 WeakPolarHBondContact O-CB 3.32Å; P297-S300 PolarHBondContact O-N 2.58Å; W298-S300 PolarHBondContact O-N 3.43Å
301	K	98.4	Very high	97	Very high	8 Å²	8	38 Å²	38	4%	0.035	22%	0.218	C	C	.	.	S	Bend	trans	-72.3	147.2	174.7	-66.3	-177	-166.9	-57.5	0	110.8	T294 P296 P297 W298 F360 K361 K363 D384	T294-K301 PolarHBondContact O-NZ 2.97Å; P296-K301 HydrophobicContact CG-CG 4.07Å; P296-K301 WeakPolarHBondContact O-CE 3.42Å; P296-K301 PolarHBondContact O-NZ 2.9Å; P297-K301 PolarHBondContact O-N 3.28Å; W298-K301 HydrophobicContact CE3-CD 4.38Å; W298-K301 WeakPolarHBondContact O-CB 3.35Å; W298-K301 PolarHBondContact O-N 2.68Å; W298-K301 VanDerWaalsContact O-N 3.08Å; K301-F360 PolarHBondContact NZ-O 3.22Å; K301-K361 CarbonylContact C-O 3.46Å; K301-K361 WeakPolarHBondContact CA-O 3.25Å; K301-K363 HydrophobicContact CB-CG 3.59Å; K301-K363 HydrophobicContact CD-CG 4.33Å; K301-D384 WeakPolarHBondContact CE-OD1 3.48Å; K301-D384 WeakPolarHBondContact CE-OD2 3.14Å; K301-D384 IonicContact NZ-OD1 2.73Å; K301-D384 PolarHBondContact NZ-OD1 3.13Å; K301-D384 IonicContact NZ-OD2 3.78Å; K301-D384 PolarHBondContact NZ-OD2 3.34Å
302	N	97.6	Very high	97	Very high	77 Å²	77	38.9 Å²	38.9	41%	0.412	23%	0.225	S	C	.	.	B	Isolated β-bridge	trans	-63.3	135.9	173.8	-171.4	-10.7	0	0	0	110.6	T304 K361 H362 K363	N302-T304 VanDerWaalsContact C-N 3.34Å; N302-T304 PolarHBondContact OD1-N 3.24Å; N302-T304 PolarHBondContact OD1-OG1 2.91Å; N302-K361 PolarHBondContact N-O 3.31Å; N302-H362 CarbonylContact O-C 3.37Å; N302-H362 WeakPolarHBondContact O-CA 3.26Å; N302-K363 PolarHBondContact O-N 2.98Å
303	S	97.4	Very high	97	Very high	47 Å²	47	40 Å²	40	33%	0.329	23%	0.226	S	C	.	.	S	Bend	trans	-88.7	6	178.1	-64.4	0	0	0	0	113.9	Y364 K426	S303-Y364 WeakPolarHBondContact O-CD2 3.11Å; S303-Y364 VanDerWaalsContact O-CE2 3.27Å; S303-Y364 WeakPolarHBondContact O-CE2 2.98Å; S303-K426 WeakPolarHBondContact O-CE 3.38Å; S303-K426 PolarHBondContact O-NZ 2.9Å; S303-K426 VanDerWaalsContact O-NZ 3.15Å
304	T	97.9	Very high	97	Very high	25 Å²	25	43.1 Å²	43.1	15%	0.153	24%	0.236	C	C	.	.	S	Bend	trans	-82.4	132	167	-55.5	0	0	0	0	109.6	N302 D331 H362	N302-T304 VanDerWaalsContact C-N 3.34Å; N302-T304 PolarHBondContact OD1-N 3.24Å; N302-T304 PolarHBondContact OD1-OG1 2.91Å; T304-D331 HydrophobicContact CG2-CB 3.77Å; T304-H362 PolarHBondContact O-ND1 2.74Å
305	A	98.7	Very high	97.1	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	140.4	177	0	0	0	0	0	111.7	L329 I330 D331 Y364 I366 L422	A305-L329 PolarHBondContact N-O 3.48Å; A305-I330 CarbonylContact O-C 3.58Å; A305-I330 WeakPolarHBondContact O-CA 3.19Å; A305-D331 PolarHBondContact O-N 3.46Å; A305-Y364 CarbonylContact C-O 3.59Å; A305-Y364 VanDerWaalsContact CA-O 3.27Å; A305-Y364 WeakPolarHBondContact CA-O 3.15Å; A305-I366 HydrophobicContact CB-CD1 3.94Å; A305-I366 HydrophobicContact CB-CG1 4.11Å; A305-L422 HydrophobicContact CB-CD1 4.1Å; A305-L422 HydrophobicContact CB-CD2 3.52Å; A305-L422 HydrophobicContact CB-CG 4.48Å
306	V	98.6	Very high	97.3	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.006	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	142.6	-172.6	69.7	0	0	0	0	112.9	D331 I354 F359 H362 Y364 Q365 I366	V306-D331 WeakPolarHBondContact CA-O 3.31Å; V306-I354 HydrophobicContact CG2-CD1 4.46Å; V306-F359 HydrophobicContact CG1-CB 4.45Å; V306-F359 HydrophobicContact CG1-CD1 3.91Å; V306-F359 HydrophobicContact CG1-CG 4.37Å; V306-H362 HydrophobicContact CB-CB 4.12Å; V306-H362 HydrophobicContact CG1-CB 3.7Å; V306-Y364 PolarHBondContact N-O 2.94Å; V306-Q365 HydrophobicContact CG1-CG 4.26Å; V306-I366 PolarHBondContact O-N 2.89Å; V306-I366 VanDerWaalsContact O-N 3.16Å
307	W	98.6	Very high	97.4	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	140.3	166.1	-176	87.7	0	0	0	111.8	G309 R316 L319 V320 D331 A332 A333 F334 I366	W307-G309 VanDerWaalsContact CH2-C 3.47Å; W307-G309 VanDerWaalsContact CH2-CA 3.46Å; W307-R316 HydrophobicContact CH2-CB 4Å; W307-R316 HydrophobicContact CH2-CG 4.18Å; W307-R316 HydrophobicContact CZ2-CB 4.14Å; W307-R316 HydrophobicContact CZ2-CG 3.81Å; W307-L319 HydrophobicContact CB-CD2 3.67Å; W307-L319 HydrophobicContact CD2-CD2 3.62Å; W307-L319 HydrophobicContact CE3-CD2 4.01Å; W307-L319 HydrophobicContact CG-CD2 3.47Å; W307-L319 VanDerWaalsContact CG-CD2 3.47Å; W307-V320 HydrophobicContact CE3-CG2 4.38Å; W307-V320 HydrophobicContact CZ3-CG2 4.03Å; W307-D331 PolarHBondContact N-O 2.91Å; W307-A332 HydrophobicContact CB-CB 3.9Å; W307-A332 HydrophobicContact CE3-CB 4.2Å; W307-A332 WeakPolarHBondContact O-CA 3.41Å; W307-A333 WeakPolarHBondContact CZ3-O 3.38Å; W307-A333 PolarHBondContact O-N 3.36Å; W307-F334 AromaticContact CH2-CD1 3.9Å; W307-F334 HydrophobicContact CH2-CD1 3.9Å; W307-F334 AromaticContact CH2-CE1 3.67Å; W307-F334 HydrophobicContact CH2-CE1 3.67Å; W307-F334 AromaticContact CZ3-CD1 3.9Å; W307-F334 HydrophobicContact CZ3-CD1 3.9Å; W307-F334 AromaticContact CZ3-CE1 3.86Å; W307-F334 HydrophobicContact CZ3-CE1 3.86Å; W307-I366 HydrophobicContact CB-CB 4.38Å; W307-I366 VanDerWaalsContact CD1-O 3.29Å
308	R	98.1	Very high	97.6	Very high	35 Å²	35	42.3 Å²	42.3	13%	0.132	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	134.4	167.8	-65	-67.2	-176.7	-92.5	1.2	109.3	D331 T335 I354 F359	R308-D331 IonicContact CZ-OD1 3.2Å; R308-D331 IonicContact CZ-OD2 3.33Å; R308-D331 VanDerWaalsContact NH1-CG 3.35Å; R308-D331 PolarHBondContact NH1-O 2.88Å; R308-D331 IonicContact NH1-OD1 3.46Å; R308-D331 PolarHBondContact NH1-OD1 3.27Å; R308-D331 IonicContact NH1-OD2 3.14Å; R308-D331 IonicContact NH2-OD1 3.92Å; R308-D331 PolarHBondContact NH2-OD1 2.99Å; R308-D331 IonicContact NH2-OD2 2.74Å; R308-D331 PolarHBondContact NH2-OD2 3.46Å; R308-T335 HydrophobicContact CB-CG2 4.14Å; R308-I354 HydrophobicContact CG-CD1 3.77Å; R308-I354 HydrophobicContact CG-CG1 3.96Å; R308-F359 HydrophobicContact CB-CZ 3.99Å; R308-F359 HydrophobicContact CG-CZ 4.46Å
309	G	96.8	Very high	97.6	Very high	6 Å²	6	41.7 Å²	41.7	6%	0.062	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.1	-172.3	177.8	0	0	0	0	0	114.2	W307 A333 F334 T335	W307-G309 VanDerWaalsContact CH2-C 3.47Å; W307-G309 VanDerWaalsContact CH2-CA 3.46Å; G309-A333 PolarHBondContact N-O 3.12Å; G309-F334 CarbonylContact O-C 3.52Å; G309-F334 VanDerWaalsContact O-CA 3.29Å; G309-F334 WeakPolarHBondContact O-CA 3.39Å; G309-F334 WeakPolarHBondContact O-CD1 3.28Å; G309-T335 PolarHBondContact O-N 2.88Å; G309-T335 PolarHBondContact O-OG1 3.32Å
310	R	96.3	Very high	97.7	Very high	122 Å²	122	36.4 Å²	36.4	46%	0.46	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	160	176.9	-64.1	-176.5	-83.4	164.6	-5.1	111	S312 R316 N336	R310-S312 PolarHBondContact O-N 3.24Å; R310-R316 WeakPolarHBondContact O-CD 3.25Å; R310-R316 PolarHBondContact O-NH1 3.43Å; R310-N336 HydrophobicContact CG-CB 4.22Å
311	D	96.6	Very high	97.7	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	16%	0.164	C	C	.	.			trans	-69.9	23.5	-179.2	69.9	-36.8	0	0	0	115.4	R313 L317 F334 F337 F338 F339 F340	D311-R313 PolarHBondContact O-N 3.1Å; D311-L317 HydrophobicContact CB-CD2 4.17Å; D311-F334 VanDerWaalsContact CA-CE1 3.48Å; D311-F334 HydrophobicContact CB-CD1 4.18Å; D311-F334 HydrophobicContact CB-CE1 3.92Å; D311-F334 HydrophobicContact CB-CZ 4.3Å; D311-F337 HydrophobicContact CB-CD1 3.68Å; D311-F337 HydrophobicContact CB-CE1 3.84Å; D311-F337 HydrophobicContact CB-CG 4.22Å; D311-F337 HydrophobicContact CB-CZ 4.48Å; D311-F337 WeakPolarHBondContact OD1-CA 3.22Å; D311-F337 VanDerWaalsContact OD2-CD1 3.25Å; D311-F337 WeakPolarHBondContact OD2-CD1 3.26Å; D311-F338 PolarHBondContact OD1-N 3.11Å; D311-F338 PolarHBondContact OD2-N 2.94Å; D311-F339 PolarHBondContact OD1-N 3.22Å; D311-F339 PolarHBondContact OD2-N 3.28Å; D311-F340 HydrophobicContact CB-CD2 4.15Å; D311-F340 WeakPolarHBondContact O-CD2 2.95Å; D311-F340 WeakPolarHBondContact O-CE2 3.29Å; D311-F340 PolarHBondContact OD2-N 2.97Å
312	S	96.1	Very high	97.7	Very high	20 Å²	20	36.2 Å²	36.2	14%	0.14	17%	0.172	C	C	.	.			trans	-70.8	8.6	-170.5	57.7	0	0	0	0	116.8	R310 R316 G370	R310-S312 PolarHBondContact O-N 3.24Å; S312-R316 PolarHBondContact OG-NH1 3.17Å; S312-G370 CarbonylContact O-C 3.58Å; S312-G370 WeakPolarHBondContact OG-CA 3.22Å
313	R	96.2	Very high	97.8	Very high	38 Å²	38	33.1 Å²	33.1	14%	0.143	16%	0.156	C	C	.	.	S	Bend	trans	-156.9	150.8	171.8	-149.7	-177.7	-91.1	-176.8	-0.8	111.8	D311 E315 R316 D369 G370 T371	D311-R313 PolarHBondContact O-N 3.1Å; R313-E315 VanDerWaalsContact C-N 3.29Å; R313-E315 WeakPolarHBondContact CD-OE2 3.29Å; R313-E315 WeakPolarHBondContact CG-OE2 2.98Å; R313-E315 PolarHBondContact O-N 3.5Å; R313-R316 HydrophobicContact CB-CG 4.41Å; R313-R316 WeakPolarHBondContact O-CB 3.32Å; R313-R316 PolarHBondContact O-N 3.05Å; R313-R316 VanDerWaalsContact O-N 3.1Å; R313-D369 IonicContact CZ-OD2 3.96Å; R313-D369 IonicContact NH1-OD2 3.74Å; R313-D369 PolarHBondContact NH1-OD2 3.4Å; R313-D369 IonicContact NH2-OD2 2.62Å; R313-G370 PolarHBondContact NE-O 2.87Å; R313-G370 PolarHBondContact NH2-O 2.73Å; R313-T371 PolarHBondContact NH2-O 3.16Å
314	K	97	Very high	97.8	Very high	139 Å²	139	36.7 Å²	36.7	60%	0.604	16%	0.162	S	C	*	.	H	α-helix	trans	-57.8	-39.3	179.3	-70.2	-175.5	179.8	179	0	112.6	R316 L317 E318 F340	K314-R316 PolarHBondContact O-N 3.03Å; K314-L317 WeakPolarHBondContact O-CA 3.41Å; K314-L317 WeakPolarHBondContact O-CB 3.44Å; K314-L317 PolarHBondContact O-N 3.37Å; K314-E318 PolarHBondContact O-N 3.12Å; K314-E318 VanDerWaalsContact O-N 3.11Å; K314-F340 HydrophobicContact CG-CE1 3.93Å; K314-F340 HydrophobicContact CG-CZ 3.77Å
315	E	97.9	Very high	97.8	Very high	54 Å²	54	42.8 Å²	42.8	25%	0.252	19%	0.187	S	C	.	.	H	α-helix	trans	-65.3	-26.7	-179.1	-65.3	78.1	-169.2	0	0	112	R313 L317 E318 L319 I368 S413 L415	R313-E315 VanDerWaalsContact C-N 3.29Å; R313-E315 WeakPolarHBondContact CD-OE2 3.29Å; R313-E315 WeakPolarHBondContact CG-OE2 2.98Å; R313-E315 PolarHBondContact O-N 3.5Å; E315-L317 VanDerWaalsContact C-N 3.34Å; E315-E318 PolarHBondContact O-N 3.39Å; E315-L319 PolarHBondContact O-N 2.92Å; E315-I368 HydrophobicContact CB-CG2 4.16Å; E315-S413 WeakPolarHBondContact CG-O 3.36Å; E315-L415 HydrophobicContact CB-CD1 4.25Å; E315-L415 HydrophobicContact CB-CG 4.35Å; E315-L415 WeakPolarHBondContact O-CD1 3.3Å
316	R	98.4	Very high	97.7	Very high	13 Å²	13	45.5 Å²	45.5	5%	0.049	20%	0.2	C	C	.	.	H	α-helix	trans	-68.4	-35.2	171.2	-60.9	179.4	170.2	-165.9	1.2	111.8	W307 R310 S312 R313 K314 E318 L319 V320 F334 I368 D369 G370	W307-R316 HydrophobicContact CH2-CB 4Å; W307-R316 HydrophobicContact CH2-CG 4.18Å; W307-R316 HydrophobicContact CZ2-CB 4.14Å; W307-R316 HydrophobicContact CZ2-CG 3.81Å; R310-R316 WeakPolarHBondContact O-CD 3.25Å; R310-R316 PolarHBondContact O-NH1 3.43Å; S312-R316 PolarHBondContact OG-NH1 3.17Å; R313-R316 HydrophobicContact CB-CG 4.41Å; R313-R316 WeakPolarHBondContact O-CB 3.32Å; R313-R316 PolarHBondContact O-N 3.05Å; R313-R316 VanDerWaalsContact O-N 3.1Å; K314-R316 PolarHBondContact O-N 3.03Å; R316-E318 VanDerWaalsContact C-N 3.34Å; R316-L319 PolarHBondContact O-N 2.9Å; R316-V320 PolarHBondContact O-N 3.36Å; R316-V320 VanDerWaalsContact O-N 3.12Å; R316-F334 HydrophobicContact CB-CE1 3.98Å; R316-F334 HydrophobicContact CB-CZ 4.17Å; R316-F334 WeakPolarHBondContact O-CZ 3.44Å; R316-I368 HydrophobicContact CG-CB 4.19Å; R316-I368 HydrophobicContact CG-CG2 3.67Å; R316-I368 PolarHBondContact NE-O 3.48Å; R316-I368 PolarHBondContact NH2-O 3.41Å; R316-D369 PolarHBondContact NE-O 3.26Å; R316-D369 PolarHBondContact NH2-O 2.93Å; R316-G370 VanDerWaalsContact CZ-CA 3.41Å
317	L	98.3	Very high	97.7	Very high	10 Å²	10	49.6 Å²	49.6	5%	0.052	23%	0.226	C	C	.	.	H	α-helix	trans	-63.8	-43.3	173.6	-56.3	174.2	0	0	0	110.3	D311 K314 E315 V320 K321 F334 F337 F340 Y347	D311-L317 HydrophobicContact CB-CD2 4.17Å; K314-L317 WeakPolarHBondContact O-CA 3.41Å; K314-L317 WeakPolarHBondContact O-CB 3.44Å; K314-L317 PolarHBondContact O-N 3.37Å; E315-L317 VanDerWaalsContact C-N 3.34Å; L317-V320 PolarHBondContact O-N 3.39Å; L317-K321 WeakPolarHBondContact O-CG 3.42Å; L317-K321 PolarHBondContact O-N 2.92Å; L317-F334 HydrophobicContact CD2-CE2 3.8Å; L317-F334 HydrophobicContact CD2-CZ 3.64Å; L317-F334 HydrophobicContact CG-CZ 4.4Å; L317-F337 HydrophobicContact CD2-CE1 3.9Å; L317-F337 HydrophobicContact CD2-CZ 4.37Å; L317-F340 HydrophobicContact CD1-CB 4.3Å; L317-F340 HydrophobicContact CD1-CD1 3.81Å; L317-F340 HydrophobicContact CD1-CD2 4.02Å; L317-F340 HydrophobicContact CD1-CE1 4.1Å; L317-F340 HydrophobicContact CD1-CE2 4.3Å; L317-F340 HydrophobicContact CD1-CG 3.77Å; L317-F340 HydrophobicContact CD1-CZ 4.34Å; L317-F340 HydrophobicContact CD2-CB 4.49Å; L317-F340 HydrophobicContact CD2-CD2 4.45Å; L317-F340 HydrophobicContact CG-CD2 4.47Å; L317-Y347 HydrophobicContact CB-CE1 3.7Å; L317-Y347 HydrophobicContact CD2-CD1 4.42Å; L317-Y347 HydrophobicContact CD2-CE1 3.96Å; L317-Y347 HydrophobicContact CD2-CE2 4.25Å; L317-Y347 HydrophobicContact CG-CE1 4.35Å
318	E	98.1	Very high	97.5	Very high	82 Å²	82	54.8 Å²	54.8	38%	0.383	25%	0.25	S	S	.	.	H	α-helix	trans	-66	-38.7	176.4	-61.8	-49.3	127.3	0	0	112.3	K314 E315 R316 V320 K321 L322	K314-E318 PolarHBondContact O-N 3.12Å; K314-E318 VanDerWaalsContact O-N 3.11Å; E315-E318 PolarHBondContact O-N 3.39Å; R316-E318 VanDerWaalsContact C-N 3.34Å; E318-V320 PolarHBondContact O-N 2.81Å; E318-K321 PolarHBondContact O-N 3.34Å; E318-K321 IonicContact OE1-NZ 2.75Å; E318-K321 PolarHBondContact OE1-NZ 2.88Å; E318-K321 IonicContact OE2-NZ 3.63Å; E318-L322 WeakPolarHBondContact O-CB 3.37Å; E318-L322 WeakPolarHBondContact O-CG 3.46Å; E318-L322 PolarHBondContact O-N 3.01Å
319	L	98.7	Very high	97.5	Very high	0 Å²	0	55 Å²	55	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-57.7	-47.4	172.9	174.1	63.9	0	0	0	112	W307 E315 R316 K321 L322 S323 I330 A332 I366 I368 L415 L418	W307-L319 HydrophobicContact CB-CD2 3.67Å; W307-L319 HydrophobicContact CD2-CD2 3.62Å; W307-L319 HydrophobicContact CE3-CD2 4.01Å; W307-L319 HydrophobicContact CG-CD2 3.47Å; W307-L319 VanDerWaalsContact CG-CD2 3.47Å; E315-L319 PolarHBondContact O-N 2.92Å; R316-L319 PolarHBondContact O-N 2.9Å; L319-K321 VanDerWaalsContact C-N 3.34Å; L319-L322 WeakPolarHBondContact O-CB 3.45Å; L319-L322 PolarHBondContact O-N 2.97Å; L319-S323 PolarHBondContact O-N 2.99Å; L319-I330 HydrophobicContact CD1-CG2 4.1Å; L319-A332 HydrophobicContact CD1-CB 4.19Å; L319-A332 HydrophobicContact CD2-CB 3.88Å; L319-A332 HydrophobicContact CG-CB 3.71Å; L319-I366 HydrophobicContact CD1-CD1 3.65Å; L319-I366 HydrophobicContact CD1-CG2 4.41Å; L319-I366 HydrophobicContact CD2-CD1 4.5Å; L319-I366 HydrophobicContact CD2-CG2 4.17Å; L319-I368 HydrophobicContact CB-CD1 3.67Å; L319-I368 HydrophobicContact CD1-CD1 4.44Å; L319-I368 HydrophobicContact CD2-CD1 3.48Å; L319-I368 VanDerWaalsContact CD2-CD1 3.48Å; L319-I368 HydrophobicContact CD2-CG1 4.26Å; L319-I368 HydrophobicContact CG-CD1 4.03Å; L319-L415 HydrophobicContact CB-CD1 3.91Å; L319-L418 HydrophobicContact CD1-CD2 3.57Å
320	V	98.5	Very high	97.6	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.006	25%	0.251	C	S	.	.	H	α-helix	trans	-67.9	-36.6	-179.3	173.2	0	0	0	0	111.1	W307 R316 L317 E318 L322 S323 R324 A332 F334 Y347	W307-V320 HydrophobicContact CE3-CG2 4.38Å; W307-V320 HydrophobicContact CZ3-CG2 4.03Å; R316-V320 PolarHBondContact O-N 3.36Å; R316-V320 VanDerWaalsContact O-N 3.12Å; L317-V320 PolarHBondContact O-N 3.39Å; E318-V320 PolarHBondContact O-N 2.81Å; V320-L322 VanDerWaalsContact C-N 3.35Å; V320-L322 PolarHBondContact O-N 3.5Å; V320-S323 PolarHBondContact O-N 3.29Å; V320-R324 WeakPolarHBondContact O-CG 3.3Å; V320-R324 PolarHBondContact O-N 3.43Å; V320-A332 HydrophobicContact CG2-CB 4.44Å; V320-F334 HydrophobicContact CB-CD2 4.15Å; V320-F334 HydrophobicContact CB-CE2 3.67Å; V320-F334 HydrophobicContact CB-CZ 4.21Å; V320-F334 HydrophobicContact CG1-CD2 4.07Å; V320-F334 HydrophobicContact CG1-CE2 4.02Å; V320-F334 HydrophobicContact CG2-CD1 4.48Å; V320-F334 HydrophobicContact CG2-CD2 3.77Å; V320-F334 HydrophobicContact CG2-CE1 4.2Å; V320-F334 HydrophobicContact CG2-CE2 3.47Å; V320-F334 VanDerWaalsContact CG2-CE2 3.47Å; V320-F334 HydrophobicContact CG2-CG 4.27Å; V320-F334 HydrophobicContact CG2-CZ 3.69Å; V320-Y347 HydrophobicContact CG1-CD1 4.5Å; V320-Y347 VanDerWaalsContact CG1-O 3.25Å; V320-Y347 WeakPolarHBondContact CG1-O 3.48Å
321	K	98.2	Very high	97.7	Very high	54 Å²	54	51.6 Å²	51.6	24%	0.235	24%	0.243	C	C	.	.	H	α-helix	trans	-60.9	-42.4	170.1	-72.2	170.4	179.4	168.2	0	111.9	L317 E318 L319 R324 K325 Y347	L317-K321 WeakPolarHBondContact O-CG 3.42Å; L317-K321 PolarHBondContact O-N 2.92Å; E318-K321 PolarHBondContact O-N 3.34Å; E318-K321 IonicContact OE1-NZ 2.75Å; E318-K321 PolarHBondContact OE1-NZ 2.88Å; E318-K321 IonicContact OE2-NZ 3.63Å; L319-K321 VanDerWaalsContact C-N 3.34Å; K321-R324 PolarHBondContact O-N 3.14Å; K321-K325 WeakPolarHBondContact O-CG 3.29Å; K321-K325 PolarHBondContact O-N 3Å; K321-K325 VanDerWaalsContact O-N 3.17Å; K321-Y347 HydrophobicContact CD-CE1 4.21Å; K321-Y347 HydrophobicContact CG-CD1 4.22Å; K321-Y347 HydrophobicContact CG-CE1 3.94Å
322	L	98.1	Very high	97.8	Very high	37 Å²	37	51.8 Å²	51.8	19%	0.194	25%	0.245	C	C	.	.	H	α-helix	trans	-63.1	-43.5	175.9	-75.4	171.1	0	0	0	111.5	E318 L319 V320 R324 K325 H326 I330 L415 L418 L419	E318-L322 WeakPolarHBondContact O-CB 3.37Å; E318-L322 WeakPolarHBondContact O-CG 3.46Å; E318-L322 PolarHBondContact O-N 3.01Å; L319-L322 WeakPolarHBondContact O-CB 3.45Å; L319-L322 PolarHBondContact O-N 2.97Å; V320-L322 VanDerWaalsContact C-N 3.35Å; V320-L322 PolarHBondContact O-N 3.5Å; L322-R324 VanDerWaalsContact C-N 3.34Å; L322-R324 PolarHBondContact O-N 2.86Å; L322-K325 PolarHBondContact O-N 2.9Å; L322-K325 VanDerWaalsContact O-N 3.15Å; L322-H326 PolarHBondContact O-N 3.34Å; L322-I330 HydrophobicContact CB-CD1 4.29Å; L322-L415 HydrophobicContact CD1-CB 4.45Å; L322-L418 HydrophobicContact CD1-CD2 4.17Å; L322-L419 HydrophobicContact CD2-CD1 4.3Å
323	S	98.4	Very high	97.9	Very high	11 Å²	11	51.5 Å²	51.5	8%	0.077	24%	0.244	C	C	.	.	H	α-helix	trans	-60.7	-40.9	175.7	174.9	0	0	0	0	112.7	L319 V320 K325 H326 P327 I330 A332	L319-S323 PolarHBondContact O-N 2.99Å; V320-S323 PolarHBondContact O-N 3.29Å; S323-K325 VanDerWaalsContact C-N 3.28Å; S323-K325 PolarHBondContact O-N 2.92Å; S323-H326 CarbonylContact O-C 3.56Å; S323-H326 PolarHBondContact O-N 2.94Å; S323-P327 VanDerWaalsContact O-CA 3.28Å; S323-P327 WeakPolarHBondContact O-CA 3.4Å; S323-P327 WeakPolarHBondContact O-CD 3.5Å; S323-I330 WeakPolarHBondContact CB-O 3.4Å; S323-I330 PolarHBondContact OG-O 2.64Å; S323-A332 PolarHBondContact OG-N 3.34Å; S323-A332 PolarHBondContact OG-O 2.88Å
324	R	97.8	Very high	98	Very high	122 Å²	122	49.9 Å²	49.9	46%	0.46	24%	0.238	S	C	.	.	H	α-helix	trans	-66.1	-29.7	175.8	-71.6	172.8	62.9	76.7	-5.9	113.4	V320 K321 L322 S345 L346 G348	V320-R324 WeakPolarHBondContact O-CG 3.3Å; V320-R324 PolarHBondContact O-N 3.43Å; K321-R324 PolarHBondContact O-N 3.14Å; L322-R324 VanDerWaalsContact C-N 3.34Å; L322-R324 PolarHBondContact O-N 2.86Å; R324-S345 PolarHBondContact NH2-O 3.07Å; R324-L346 WeakPolarHBondContact CD-O 3.42Å; R324-L346 PolarHBondContact NE-O 2.99Å; R324-G348 VanDerWaalsContact NH1-CA 3.28Å
325	K	97.9	Very high	98	Very high	153 Å²	153	43.8 Å²	43.8	67%	0.665	21%	0.212	S	C	*	.	H	α-helix	trans	-80.4	-28.5	175.3	-70.2	177.3	-178.9	-178.4	0	113	K321 L322 S323 P327	K321-K325 WeakPolarHBondContact O-CG 3.29Å; K321-K325 PolarHBondContact O-N 3Å; K321-K325 VanDerWaalsContact O-N 3.17Å; L322-K325 PolarHBondContact O-N 2.9Å; L322-K325 VanDerWaalsContact O-N 3.15Å; S323-K325 VanDerWaalsContact C-N 3.28Å; S323-K325 PolarHBondContact O-N 2.92Å; K325-P327 VanDerWaalsContact C-CD 3.49Å
326	H	97.9	Very high	97.9	Very high	58 Å²	58	44 Å²	44	27%	0.269	22%	0.215	S	C	.	.			trans	-133.2	59.6	-175.4	-59.2	-72.4	0	0	0	111.9	L322 S323 E328 L329 I330 L419	L322-H326 PolarHBondContact O-N 3.34Å; S323-H326 CarbonylContact O-C 3.56Å; S323-H326 PolarHBondContact O-N 2.94Å; H326-E328 WeakPolarHBondContact CA-OE2 3.18Å; H326-E328 IonicContact ND1-OE1 3.42Å; H326-E328 PolarHBondContact O-N 3.45Å; H326-L329 HydrophobicContact CB-CB 4.21Å; H326-L329 HydrophobicContact CB-CD1 4.31Å; H326-L329 HydrophobicContact CB-CG 4.44Å; H326-L329 PolarHBondContact O-N 2.94Å; H326-I330 PolarHBondContact O-N 3.48Å; H326-L419 HydrophobicContact CB-CD2 4.49Å
327	P	97.2	Very high	97.9	Very high	86 Å²	86	44.4 Å²	44.4	56%	0.558	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-21.5	-175.2	27.1	-36.1	0	0	0	113.4	S323 K325 L329	S323-P327 VanDerWaalsContact O-CA 3.28Å; S323-P327 WeakPolarHBondContact O-CA 3.4Å; S323-P327 WeakPolarHBondContact O-CD 3.5Å; K325-P327 VanDerWaalsContact C-CD 3.49Å; P327-L329 VanDerWaalsContact C-N 3.31Å
328	E	96	Very high	97.7	Very high	109 Å²	109	50.2 Å²	50.2	51%	0.509	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-24.1	173.3	75.5	-67.5	165.6	0	0	113.2	H326	H326-E328 WeakPolarHBondContact CA-OE2 3.18Å; H326-E328 IonicContact ND1-OE1 3.42Å; H326-E328 PolarHBondContact O-N 3.45Å
329	L	97.4	Very high	97.5	Very high	41 Å²	41	51.4 Å²	51.4	22%	0.215	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-38.9	-179.5	-63.9	-176.9	0	0	0	112.5	A305 H326 P327 L419 K426	A305-L329 PolarHBondContact N-O 3.48Å; H326-L329 HydrophobicContact CB-CB 4.21Å; H326-L329 HydrophobicContact CB-CD1 4.31Å; H326-L329 HydrophobicContact CB-CG 4.44Å; H326-L329 PolarHBondContact O-N 2.94Å; P327-L329 VanDerWaalsContact C-N 3.31Å; L329-L419 HydrophobicContact CD1-CD2 4.22Å; L329-K426 HydrophobicContact CD2-CD 4.4Å
330	I	98.6	Very high	97.4	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	126.7	-170.7	-52.2	168.8	0	0	0	109.9	A305 L319 L322 S323 H326 A332 I366 L418 L419 L422	A305-I330 CarbonylContact O-C 3.58Å; A305-I330 WeakPolarHBondContact O-CA 3.19Å; L319-I330 HydrophobicContact CD1-CG2 4.1Å; L322-I330 HydrophobicContact CB-CD1 4.29Å; S323-I330 WeakPolarHBondContact CB-O 3.4Å; S323-I330 PolarHBondContact OG-O 2.64Å; H326-I330 PolarHBondContact O-N 3.48Å; I330-A332 HydrophobicContact CG2-CB 3.76Å; I330-I366 HydrophobicContact CG2-CD1 3.87Å; I330-L418 HydrophobicContact CD1-CD2 4.07Å; I330-L419 HydrophobicContact CD1-CD2 3.86Å; I330-L422 HydrophobicContact CD1-CD1 3.81Å; I330-L422 HydrophobicContact CG1-CD1 3.54Å
331	D	98.4	Very high	97.2	Very high	56 Å²	56	63.8 Å²	63.8	30%	0.299	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	89.3	165	-179.6	7	0	0	0	109.2	T304 A305 V306 W307 R308	T304-D331 HydrophobicContact CG2-CB 3.77Å; A305-D331 PolarHBondContact O-N 3.46Å; V306-D331 WeakPolarHBondContact CA-O 3.31Å; W307-D331 PolarHBondContact N-O 2.91Å; R308-D331 IonicContact CZ-OD1 3.2Å; R308-D331 IonicContact CZ-OD2 3.33Å; R308-D331 VanDerWaalsContact NH1-CG 3.35Å; R308-D331 PolarHBondContact NH1-O 2.88Å; R308-D331 IonicContact NH1-OD1 3.46Å; R308-D331 PolarHBondContact NH1-OD1 3.27Å; R308-D331 IonicContact NH1-OD2 3.14Å; R308-D331 IonicContact NH2-OD1 3.92Å; R308-D331 PolarHBondContact NH2-OD1 2.99Å; R308-D331 IonicContact NH2-OD2 2.74Å; R308-D331 PolarHBondContact NH2-OD2 3.46Å
332	A	98.5	Very high	97.1	Very high	4 Å²	4	64.2 Å²	64.2	3%	0.033	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	127.3	177.3	0	0	0	0	0	111.2	W307 L319 V320 S323 I330	W307-A332 HydrophobicContact CB-CB 3.9Å; W307-A332 HydrophobicContact CE3-CB 4.2Å; W307-A332 WeakPolarHBondContact O-CA 3.41Å; L319-A332 HydrophobicContact CD1-CB 4.19Å; L319-A332 HydrophobicContact CD2-CB 3.88Å; L319-A332 HydrophobicContact CG-CB 3.71Å; V320-A332 HydrophobicContact CG2-CB 4.44Å; S323-A332 PolarHBondContact OG-N 3.34Å; S323-A332 PolarHBondContact OG-O 2.88Å; I330-A332 HydrophobicContact CG2-CB 3.76Å
333	A	98.3	Very high	97	Very high	14 Å²	14	65.5 Å²	65.5	12%	0.116	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	153.2	-178.3	0	0	0	0	0	112.4	W307 G309 V351	W307-A333 WeakPolarHBondContact CZ3-O 3.38Å; W307-A333 PolarHBondContact O-N 3.36Å; G309-A333 PolarHBondContact N-O 3.12Å; A333-V351 HydrophobicContact CB-CB 4.41Å; A333-V351 HydrophobicContact CB-CG1 3.93Å; A333-V351 HydrophobicContact CB-CG2 3.56Å
334	F	98.4	Very high	96.9	Very high	3 Å²	3	70.5 Å²	70.5	1%	0.013	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	137.4	177	-72.8	-61.4	0	0	0	112.2	W307 G309 D311 R316 L317 V320 F337 Y347 I350 V351	W307-F334 AromaticContact CH2-CD1 3.9Å; W307-F334 HydrophobicContact CH2-CD1 3.9Å; W307-F334 AromaticContact CH2-CE1 3.67Å; W307-F334 HydrophobicContact CH2-CE1 3.67Å; W307-F334 AromaticContact CZ3-CD1 3.9Å; W307-F334 HydrophobicContact CZ3-CD1 3.9Å; W307-F334 AromaticContact CZ3-CE1 3.86Å; W307-F334 HydrophobicContact CZ3-CE1 3.86Å; G309-F334 CarbonylContact O-C 3.52Å; G309-F334 VanDerWaalsContact O-CA 3.29Å; G309-F334 WeakPolarHBondContact O-CA 3.39Å; G309-F334 WeakPolarHBondContact O-CD1 3.28Å; D311-F334 VanDerWaalsContact CA-CE1 3.48Å; D311-F334 HydrophobicContact CB-CD1 4.18Å; D311-F334 HydrophobicContact CB-CE1 3.92Å; D311-F334 HydrophobicContact CB-CZ 4.3Å; R316-F334 HydrophobicContact CB-CE1 3.98Å; R316-F334 HydrophobicContact CB-CZ 4.17Å; R316-F334 WeakPolarHBondContact O-CZ 3.44Å; L317-F334 HydrophobicContact CD2-CE2 3.8Å; L317-F334 HydrophobicContact CD2-CZ 3.64Å; L317-F334 HydrophobicContact CG-CZ 4.4Å; V320-F334 HydrophobicContact CB-CD2 4.15Å; V320-F334 HydrophobicContact CB-CE2 3.67Å; V320-F334 HydrophobicContact CB-CZ 4.21Å; V320-F334 HydrophobicContact CG1-CD2 4.07Å; V320-F334 HydrophobicContact CG1-CE2 4.02Å; V320-F334 HydrophobicContact CG2-CD1 4.48Å; V320-F334 HydrophobicContact CG2-CD2 3.77Å; V320-F334 HydrophobicContact CG2-CE1 4.2Å; V320-F334 HydrophobicContact CG2-CE2 3.47Å; V320-F334 VanDerWaalsContact CG2-CE2 3.47Å; V320-F334 HydrophobicContact CG2-CG 4.27Å; V320-F334 HydrophobicContact CG2-CZ 3.69Å; F334-F337 HydrophobicContact CB-CD2 4.24Å; F334-F337 HydrophobicContact CB-CE2 3.68Å; F334-F337 HydrophobicContact CB-CZ 4.41Å; F334-F337 HydrophobicContact CD2-CE1 4.37Å; F334-F337 AromaticContact CD2-CE2 3.46Å; F334-F337 HydrophobicContact CD2-CE2 3.46Å; F334-F337 VanDerWaalsContact CD2-CE2 3.46Å; F334-F337 AromaticContact CD2-CZ 3.32Å; F334-F337 HydrophobicContact CD2-CZ 3.32Å; F334-F337 HydrophobicContact CE2-CE1 4.42Å; F334-F337 HydrophobicContact CE2-CE2 4.28Å; F334-F337 AromaticContact CE2-CZ 3.68Å; F334-F337 HydrophobicContact CE2-CZ 3.68Å; F334-F337 HydrophobicContact CG-CD2 4.46Å; F334-F337 AromaticContact CG-CE2 3.68Å; F334-F337 HydrophobicContact CG-CE2 3.68Å; F334-F337 AromaticContact CG-CZ 3.91Å; F334-F337 HydrophobicContact CG-CZ 3.91Å; F334-Y347 HydrophobicContact CE2-CD1 4.1Å; F334-Y347 HydrophobicContact CE2-CG 4.22Å; F334-I350 WeakPolarHBondContact O-CA 3.37Å; F334-V351 PolarHBondContact O-N 3.37Å
335	T	97.4	Very high	96.8	Very high	11 Å²	11	68.9 Å²	68.9	7%	0.067	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	-18.3	172.7	65.2	0	0	0	0	113.1	R308 G309 I350 V351 H353	R308-T335 HydrophobicContact CB-CG2 4.14Å; G309-T335 PolarHBondContact O-N 2.88Å; G309-T335 PolarHBondContact O-OG1 3.32Å; T335-I350 WeakPolarHBondContact O-CG2 3.3Å; T335-V351 WeakPolarHBondContact CA-O 3.15Å; T335-V351 HydrophobicContact CG2-CG2 4.48Å; T335-H353 PolarHBondContact OG1-CE1 2.76Å
336	N	96.4	Very high	96.8	Very high	58 Å²	58	65.2 Å²	65.2	31%	0.31	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-167	161.9	171.8	-151.3	-8.4	0	0	0	110.9	R310 F338	R310-N336 HydrophobicContact CG-CB 4.22Å; N336-F338 HydrophobicContact CB-CE2 4.43Å; N336-F338 WeakPolarHBondContact ND2-CZ 3.47Å
337	F	96.5	Very high	96.7	Very high	23 Å²	23	63.8 Å²	63.8	10%	0.101	32%	0.319	C	S	.	.			trans	-117.5	127.2	170.4	-84.7	-100.8	0	0	0	111	D311 L317 F334 F340 H342 Y347 I350	D311-F337 HydrophobicContact CB-CD1 3.68Å; D311-F337 HydrophobicContact CB-CE1 3.84Å; D311-F337 HydrophobicContact CB-CG 4.22Å; D311-F337 HydrophobicContact CB-CZ 4.48Å; D311-F337 WeakPolarHBondContact OD1-CA 3.22Å; D311-F337 VanDerWaalsContact OD2-CD1 3.25Å; D311-F337 WeakPolarHBondContact OD2-CD1 3.26Å; L317-F337 HydrophobicContact CD2-CE1 3.9Å; L317-F337 HydrophobicContact CD2-CZ 4.37Å; F334-F337 HydrophobicContact CB-CD2 4.24Å; F334-F337 HydrophobicContact CB-CE2 3.68Å; F334-F337 HydrophobicContact CB-CZ 4.41Å; F334-F337 HydrophobicContact CD2-CE1 4.37Å; F334-F337 AromaticContact CD2-CE2 3.46Å; F334-F337 HydrophobicContact CD2-CE2 3.46Å; F334-F337 VanDerWaalsContact CD2-CE2 3.46Å; F334-F337 AromaticContact CD2-CZ 3.32Å; F334-F337 HydrophobicContact CD2-CZ 3.32Å; F334-F337 HydrophobicContact CE2-CE1 4.42Å; F334-F337 HydrophobicContact CE2-CE2 4.28Å; F334-F337 AromaticContact CE2-CZ 3.68Å; F334-F337 HydrophobicContact CE2-CZ 3.68Å; F334-F337 HydrophobicContact CG-CD2 4.46Å; F334-F337 AromaticContact CG-CE2 3.68Å; F334-F337 HydrophobicContact CG-CE2 3.68Å; F334-F337 AromaticContact CG-CZ 3.91Å; F334-F337 HydrophobicContact CG-CZ 3.91Å; F337-F340 HydrophobicContact CD1-CB 4.46Å; F337-H342 HydrophobicContact CB-CB 4.06Å; F337-H342 HydrophobicContact CD1-CB 4Å; F337-H342 HydrophobicContact CD2-CB 3.84Å; F337-H342 AromaticContact CD2-CD2 3.7Å; F337-H342 AromaticContact CD2-CG 3.7Å; F337-H342 HydrophobicContact CE1-CB 4.4Å; F337-H342 HydrophobicContact CE2-CB 4.26Å; F337-H342 AromaticContact CE2-CD2 3.35Å; F337-H342 WeakPolarHBondContact CE2-CD2 3.33Å; F337-H342 AromaticContact CE2-CG 3.86Å; F337-H342 AromaticContact CE2-NE2 3.99Å; F337-H342 HydrophobicContact CG-CB 3.7Å; F337-H342 AromaticContact CZ-CD2 3.78Å; F337-Y347 HydrophobicContact CE1-CD2 4.04Å; F337-Y347 HydrophobicContact CE1-CE2 4.4Å; F337-Y347 AromaticContact CZ-CD2 3.69Å; F337-Y347 HydrophobicContact CZ-CD2 3.69Å; F337-Y347 HydrophobicContact CZ-CE2 4.45Å; F337-Y347 AromaticContact CZ-CG 3.92Å; F337-Y347 HydrophobicContact CZ-CG 3.92Å; F337-I350 HydrophobicContact CD2-CD1 4.28Å; F337-I350 HydrophobicContact CD2-CG1 4.2Å
338	F	94.5	Very high	96.7	Very high	131 Å²	131	59.9 Å²	59.9	58%	0.575	30%	0.295	S	S	*	.	S	Bend	trans	-132.6	-25	174.8	-71.2	-50.2	0	0	0	113.8	D311 N336	D311-F338 PolarHBondContact OD1-N 3.11Å; D311-F338 PolarHBondContact OD2-N 2.94Å; N336-F338 HydrophobicContact CB-CE2 4.43Å; N336-F338 WeakPolarHBondContact ND2-CZ 3.47Å
339	F	94.5	Very high	96.7	Very high	108 Å²	108	58.2 Å²	58.2	47%	0.474	29%	0.293	S	S	.	.	S	Bend	trans	-108.9	-26.4	-168.2	-62.6	-88.3	0	0	0	112.7	D311	D311-F339 PolarHBondContact OD1-N 3.22Å; D311-F339 PolarHBondContact OD2-N 3.28Å
340	F	96.1	Very high	96.6	Very high	73 Å²	73	59.7 Å²	59.7	32%	0.32	30%	0.301	S	S	.	.	S	Bend	trans	-125.6	160.9	-180	-61	-89.2	0	0	0	110.5	D311 K314 L317 F337 H342	D311-F340 HydrophobicContact CB-CD2 4.15Å; D311-F340 WeakPolarHBondContact O-CD2 2.95Å; D311-F340 WeakPolarHBondContact O-CE2 3.29Å; D311-F340 PolarHBondContact OD2-N 2.97Å; K314-F340 HydrophobicContact CG-CE1 3.93Å; K314-F340 HydrophobicContact CG-CZ 3.77Å; L317-F340 HydrophobicContact CD1-CB 4.3Å; L317-F340 HydrophobicContact CD1-CD1 3.81Å; L317-F340 HydrophobicContact CD1-CD2 4.02Å; L317-F340 HydrophobicContact CD1-CE1 4.1Å; L317-F340 HydrophobicContact CD1-CE2 4.3Å; L317-F340 HydrophobicContact CD1-CG 3.77Å; L317-F340 HydrophobicContact CD1-CZ 4.34Å; L317-F340 HydrophobicContact CD2-CB 4.49Å; L317-F340 HydrophobicContact CD2-CD2 4.45Å; L317-F340 HydrophobicContact CG-CD2 4.47Å; F337-F340 HydrophobicContact CD1-CB 4.46Å; F340-H342 PolarHBondContact O-N 3.25Å
341	K	95.3	Very high	96.6	Very high	187 Å²	187	62 Å²	62	81%	0.813	32%	0.315	S	S	*	.			trans	-68.1	126.1	171.9	-174.3	-179.9	178.2	-175.5	0	109.2	D343	K341-D343 PolarHBondContact O-N 2.93Å
342	H	96.2	Very high	96.5	Very high	63 Å²	63	68.1 Å²	68.1	29%	0.292	34%	0.339	S	S	.	.			trans	-69.9	117.3	171.3	-176.5	-156.4	0	0	0	109.6	F337 F340 G348	F337-H342 HydrophobicContact CB-CB 4.06Å; F337-H342 HydrophobicContact CD1-CB 4Å; F337-H342 HydrophobicContact CD2-CB 3.84Å; F337-H342 AromaticContact CD2-CD2 3.7Å; F337-H342 AromaticContact CD2-CG 3.7Å; F337-H342 HydrophobicContact CE1-CB 4.4Å; F337-H342 HydrophobicContact CE2-CB 4.26Å; F337-H342 AromaticContact CE2-CD2 3.35Å; F337-H342 WeakPolarHBondContact CE2-CD2 3.33Å; F337-H342 AromaticContact CE2-CG 3.86Å; F337-H342 AromaticContact CE2-NE2 3.99Å; F337-H342 HydrophobicContact CG-CB 3.7Å; F337-H342 AromaticContact CZ-CD2 3.78Å; F340-H342 PolarHBondContact O-N 3.25Å; H342-G348 PolarHBondContact NE2-O 2.84Å
343	D	96	Very high	96.3	Very high	64 Å²	64	74.8 Å²	74.8	34%	0.342	37%	0.369	S	S	.	.			trans	-115.5	100.6	168.4	-175.3	-23.2	0	0	0	108.2	K341 S345 L346 Y347	K341-D343 PolarHBondContact O-N 2.93Å; D343-S345 PolarHBondContact O-N 2.93Å; D343-S345 WeakPolarHBondContact OD1-CB 3.3Å; D343-S345 PolarHBondContact OD1-N 2.99Å; D343-S345 PolarHBondContact OD1-OG 2.87Å; D343-L346 HydrophobicContact CB-CB 4.27Å; D343-L346 HydrophobicContact CB-CD1 4.18Å; D343-L346 HydrophobicContact CB-CG 4.33Å; D343-L346 PolarHBondContact O-N 3.46Å; D343-L346 PolarHBondContact OD1-N 3.12Å; D343-L346 WeakPolarHBondContact OD2-CD1 3.27Å; D343-Y347 HydrophobicContact CB-CD2 4.18Å; D343-Y347 HydrophobicContact CB-CE2 4.14Å; D343-Y347 WeakPolarHBondContact O-CD2 3.43Å; D343-Y347 PolarHBondContact O-N 2.68Å
344	E	95.7	Very high	96.2	Very high	116 Å²	116	77 Å²	77	54%	0.542	38%	0.378	S	S	.	.	H	α-helix	trans	-62.8	-28.6	-177.1	-171.8	170	142.7	0	0	112.5	L346 G348	E344-L346 VanDerWaalsContact C-N 3.28Å; E344-L346 PolarHBondContact O-N 3Å; E344-G348 WeakPolarHBondContact O-CA 3.14Å; E344-G348 PolarHBondContact O-N 2.95Å
345	S	96.4	Very high	96	Very high	88 Å²	88	79.4 Å²	79.4	62%	0.615	40%	0.395	S	S	*	.	H	α-helix	trans	-64.6	-37.6	177.6	77	0	0	0	0	111.4	R324 D343	R324-S345 PolarHBondContact NH2-O 3.07Å; D343-S345 PolarHBondContact O-N 2.93Å; D343-S345 WeakPolarHBondContact OD1-CB 3.3Å; D343-S345 PolarHBondContact OD1-N 2.99Å; D343-S345 PolarHBondContact OD1-OG 2.87Å
346	L	96.5	Very high	96	Very high	77 Å²	77	80.5 Å²	80.5	40%	0.403	40%	0.399	S	S	.	.	H	α-helix	trans	-84.3	-42.1	179.8	-66.3	179.5	0	0	0	112.8	R324 D343 E344	R324-L346 WeakPolarHBondContact CD-O 3.42Å; R324-L346 PolarHBondContact NE-O 2.99Å; D343-L346 HydrophobicContact CB-CB 4.27Å; D343-L346 HydrophobicContact CB-CD1 4.18Å; D343-L346 HydrophobicContact CB-CG 4.33Å; D343-L346 PolarHBondContact O-N 3.46Å; D343-L346 PolarHBondContact OD1-N 3.12Å; D343-L346 WeakPolarHBondContact OD2-CD1 3.27Å; E344-L346 VanDerWaalsContact C-N 3.28Å; E344-L346 PolarHBondContact O-N 3Å
347	Y	97.4	Very high	96	Very high	27 Å²	27	80 Å²	80	11%	0.106	39%	0.394	C	S	.	.	H	α-helix	trans	-109.7	-8.7	-168	-53.7	-58.5	0	0	0	114.5	L317 V320 K321 F334 F337 D343	L317-Y347 HydrophobicContact CB-CE1 3.7Å; L317-Y347 HydrophobicContact CD2-CD1 4.42Å; L317-Y347 HydrophobicContact CD2-CE1 3.96Å; L317-Y347 HydrophobicContact CD2-CE2 4.25Å; L317-Y347 HydrophobicContact CG-CE1 4.35Å; V320-Y347 HydrophobicContact CG1-CD1 4.5Å; V320-Y347 VanDerWaalsContact CG1-O 3.25Å; V320-Y347 WeakPolarHBondContact CG1-O 3.48Å; K321-Y347 HydrophobicContact CD-CE1 4.21Å; K321-Y347 HydrophobicContact CG-CD1 4.22Å; K321-Y347 HydrophobicContact CG-CE1 3.94Å; F334-Y347 HydrophobicContact CE2-CD1 4.1Å; F334-Y347 HydrophobicContact CE2-CG 4.22Å; F337-Y347 HydrophobicContact CE1-CD2 4.04Å; F337-Y347 HydrophobicContact CE1-CE2 4.4Å; F337-Y347 AromaticContact CZ-CD2 3.69Å; F337-Y347 HydrophobicContact CZ-CD2 3.69Å; F337-Y347 HydrophobicContact CZ-CE2 4.45Å; F337-Y347 AromaticContact CZ-CG 3.92Å; F337-Y347 HydrophobicContact CZ-CG 3.92Å; D343-Y347 HydrophobicContact CB-CD2 4.18Å; D343-Y347 HydrophobicContact CB-CE2 4.14Å; D343-Y347 WeakPolarHBondContact O-CD2 3.43Å; D343-Y347 PolarHBondContact O-N 2.68Å
348	G	95.6	Very high	96.1	Very high	4 Å²	4	81.2 Å²	81.2	4%	0.041	40%	0.402	C	S	.	.			trans	74.4	179.4	-172.3	0	0	0	0	0	113.2	R324 H342 E344	R324-G348 VanDerWaalsContact NH1-CA 3.28Å; H342-G348 PolarHBondContact NE2-O 2.84Å; E344-G348 WeakPolarHBondContact O-CA 3.14Å; E344-G348 PolarHBondContact O-N 2.95Å
349	P	96.2	Very high	96.3	Very high	74 Å²	74	75.4 Å²	75.4	48%	0.481	38%	0.376	S	S	.	.			trans	-69.1	156.7	179.1	30.2	-35.8	0	0	0	110.8
350	I	96.8	Very high	96.4	Very high	73 Å²	73	70.3 Å²	70.3	37%	0.374	35%	0.354	S	S	.	.			trans	-68.6	134.4	169.1	-66.8	168.6	0	0	0	108.9	F334 T335 F337	F334-I350 WeakPolarHBondContact O-CA 3.37Å; T335-I350 WeakPolarHBondContact O-CG2 3.3Å; F337-I350 HydrophobicContact CD2-CD1 4.28Å; F337-I350 HydrophobicContact CD2-CG1 4.2Å
351	V	97.3	Very high	96.6	Very high	48 Å²	48	71.8 Å²	71.8	29%	0.291	36%	0.36	S	S	.	.			trans	-105.9	160.1	177.3	-57.4	0	0	0	0	111.4	A333 F334 T335	A333-V351 HydrophobicContact CB-CB 4.41Å; A333-V351 HydrophobicContact CB-CG1 3.93Å; A333-V351 HydrophobicContact CB-CG2 3.56Å; F334-V351 PolarHBondContact O-N 3.37Å; T335-V351 WeakPolarHBondContact CA-O 3.15Å; T335-V351 HydrophobicContact CG2-CG2 4.48Å
352	K	96.6	Very high	96.7	Very high	184 Å²	184	64 Å²	64	80%	0.8	33%	0.327	S	S	*	.	P	Polyproline II helix	trans	-66.4	154	173.8	-65.6	-176.7	-178.6	179.4	0	110.9
353	H	94.9	Very high	96.8	Very high	144 Å²	144	61.7 Å²	61.7	67%	0.667	32%	0.316	S	S	*	.	P	Polyproline II helix	trans	-57	141.4	163.5	-69	-82.8	0	0	0	110	T335	T335-H353 PolarHBondContact OG1-CE1 2.76Å
354	I	94.8	Very high	97	Very high	62 Å²	62	58.7 Å²	58.7	32%	0.318	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-103.4	158.5	168.8	68.3	178.8	0	0	0	109.1	V306 R308 D358 F359	V306-I354 HydrophobicContact CG2-CD1 4.46Å; R308-I354 HydrophobicContact CG-CD1 3.77Å; R308-I354 HydrophobicContact CG-CG1 3.96Å; I354-D358 HydrophobicContact CB-CB 4.49Å; I354-D358 HydrophobicContact CD1-CB 4.37Å; I354-F359 HydrophobicContact CD1-CD2 3.77Å; I354-F359 HydrophobicContact CD1-CE2 3.58Å; I354-F359 HydrophobicContact CD1-CZ 4.31Å; I354-F359 HydrophobicContact CG1-CD2 4Å; I354-F359 HydrophobicContact CG1-CE2 3.55Å; I354-F359 HydrophobicContact CG1-CZ 4.48Å
355	S	95.9	Very high	97.1	Very high	53 Å²	53	53.2 Å²	53.2	37%	0.371	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-59.2	142.7	172.3	179.5	0	0	0	0	109.5	F357 D358	S355-F357 PolarHBondContact O-N 3.16Å; S355-F357 PolarHBondContact OG-N 3.36Å; S355-D358 WeakPolarHBondContact CB-OD2 3.43Å; S355-D358 PolarHBondContact N-OD2 3.14Å; S355-D358 WeakPolarHBondContact O-CB 3.46Å; S355-D358 PolarHBondContact O-N 3.27Å
356	F	96.4	Very high	97.2	Very high	34 Å²	34	49.2 Å²	49.2	15%	0.149	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-58.9	-35.2	174.3	-160.5	-90.4	0	0	0	111.2	L285 D358 F359 F360 R376 Y379 L380	L285-F356 HydrophobicContact CD1-CB 4.02Å; L285-F356 HydrophobicContact CD1-CD1 3.65Å; L285-F356 HydrophobicContact CD1-CE1 4.4Å; L285-F356 HydrophobicContact CD1-CG 3.93Å; L285-F356 HydrophobicContact CD2-CB 4.05Å; L285-F356 HydrophobicContact CD2-CD1 4.23Å; L285-F356 HydrophobicContact CD2-CD2 4.05Å; L285-F356 HydrophobicContact CD2-CG 3.82Å; F356-D358 PolarHBondContact O-N 3.2Å; F356-F359 WeakPolarHBondContact O-CB 3.23Å; F356-F359 PolarHBondContact O-N 3Å; F356-F359 VanDerWaalsContact O-N 3.15Å; F356-F360 HydrophobicContact CD1-CE2 4.06Å; F356-F360 HydrophobicContact CD1-CZ 4.2Å; F356-F360 HydrophobicContact CE1-CE2 4.22Å; F356-F360 AromaticContact CE1-CZ 3.87Å; F356-F360 HydrophobicContact CE1-CZ 3.87Å; F356-R376 HydrophobicContact CE2-CB 3.79Å; F356-R376 HydrophobicContact CZ-CB 4.05Å; F356-Y379 HydrophobicContact CE1-CG 4.34Å; F356-Y379 HydrophobicContact CZ-CD2 4.42Å; F356-Y379 HydrophobicContact CZ-CG 4.43Å; F356-L380 HydrophobicContact CE1-CD2 4.03Å; F356-L380 HydrophobicContact CE2-CD2 4.24Å; F356-L380 HydrophobicContact CZ-CD2 3.48Å; F356-L380 VanDerWaalsContact CZ-CD2 3.48Å; F356-L380 HydrophobicContact CZ-CG 3.95Å
357	F	97.5	Very high	97.3	Very high	46 Å²	46	45.6 Å²	45.6	20%	0.202	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-65.8	-23.2	177.3	-53.1	-52.6	0	0	0	113.4	L285 V290 N293 S355 F359 F360	L285-F357 HydrophobicContact CD1-CE1 4.13Å; L285-F357 HydrophobicContact CD1-CZ 4.46Å; V290-F357 HydrophobicContact CG2-CE1 4.13Å; N293-F357 HydrophobicContact CB-CB 4.09Å; N293-F357 HydrophobicContact CB-CD1 3.43Å; N293-F357 VanDerWaalsContact CB-CD1 3.43Å; N293-F357 HydrophobicContact CB-CD2 4.3Å; N293-F357 HydrophobicContact CB-CE1 3.88Å; N293-F357 HydrophobicContact CB-CG 3.68Å; N293-F357 HydrophobicContact CB-CZ 4.48Å; S355-F357 PolarHBondContact O-N 3.16Å; S355-F357 PolarHBondContact OG-N 3.36Å; F357-F359 PolarHBondContact O-N 2.91Å; F357-F360 HydrophobicContact CD1-CE2 4.42Å; F357-F360 PolarHBondContact O-N 2.94Å
358	D	97.6	Very high	97.4	Very high	49 Å²	49	44.3 Å²	44.3	26%	0.262	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-69.9	-20.8	176.6	-69	-36.1	0	0	0	112.4	I354 S355 F356 F360 K361	I354-D358 HydrophobicContact CB-CB 4.49Å; I354-D358 HydrophobicContact CD1-CB 4.37Å; S355-D358 WeakPolarHBondContact CB-OD2 3.43Å; S355-D358 PolarHBondContact N-OD2 3.14Å; S355-D358 WeakPolarHBondContact O-CB 3.46Å; S355-D358 PolarHBondContact O-N 3.27Å; F356-D358 PolarHBondContact O-N 3.2Å; D358-F360 PolarHBondContact O-N 3.43Å; D358-K361 HydrophobicContact CB-CD 4.36Å; D358-K361 WeakPolarHBondContact O-CB 3.41Å; D358-K361 PolarHBondContact O-N 3.47Å; D358-K361 VanDerWaalsContact O-N 3.12Å; D358-K361 VanDerWaalsContact OD1-CE 3.23Å; D358-K361 WeakPolarHBondContact OD1-CE 3.26Å; D358-K361 IonicContact OD1-NZ 2.92Å; D358-K361 PolarHBondContact OD1-NZ 3.36Å
359	F	98.1	Very high	97.5	Very high	10 Å²	10	44.1 Å²	44.1	4%	0.044	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-60.7	-30.8	173.7	-78.8	-115.8	0	0	0	111.5	V306 R308 I354 F356 F357 K361 H362 Q365 L380	V306-F359 HydrophobicContact CG1-CB 4.45Å; V306-F359 HydrophobicContact CG1-CD1 3.91Å; V306-F359 HydrophobicContact CG1-CG 4.37Å; R308-F359 HydrophobicContact CB-CZ 3.99Å; R308-F359 HydrophobicContact CG-CZ 4.46Å; I354-F359 HydrophobicContact CD1-CD2 3.77Å; I354-F359 HydrophobicContact CD1-CE2 3.58Å; I354-F359 HydrophobicContact CD1-CZ 4.31Å; I354-F359 HydrophobicContact CG1-CD2 4Å; I354-F359 HydrophobicContact CG1-CE2 3.55Å; I354-F359 HydrophobicContact CG1-CZ 4.48Å; F356-F359 WeakPolarHBondContact O-CB 3.23Å; F356-F359 PolarHBondContact O-N 3Å; F356-F359 VanDerWaalsContact O-N 3.15Å; F357-F359 PolarHBondContact O-N 2.91Å; F359-K361 PolarHBondContact O-N 3.2Å; F359-H362 PolarHBondContact O-N 2.78Å; F359-Q365 PolarHBondContact O-NE2 3Å; F359-L380 HydrophobicContact CD1-CD2 4.16Å
360	F	98.3	Very high	97.4	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-80.3	1.2	-179.3	-50.3	-68.4	0	0	0	113.5	V290 N293 T294 K301 F356 F357 D358 H362 Y379 G383	V290-F360 HydrophobicContact CG1-CE1 4.25Å; V290-F360 HydrophobicContact CG1-CE2 3.64Å; V290-F360 HydrophobicContact CG1-CZ 3.42Å; V290-F360 VanDerWaalsContact CG1-CZ 3.42Å; V290-F360 HydrophobicContact CG2-CE2 4.47Å; N293-F360 WeakPolarHBondContact O-CD2 3.49Å; T294-F360 WeakPolarHBondContact O-CB 3.18Å; K301-F360 PolarHBondContact NZ-O 3.22Å; F356-F360 HydrophobicContact CD1-CE2 4.06Å; F356-F360 HydrophobicContact CD1-CZ 4.2Å; F356-F360 HydrophobicContact CE1-CE2 4.22Å; F356-F360 AromaticContact CE1-CZ 3.87Å; F356-F360 HydrophobicContact CE1-CZ 3.87Å; F357-F360 HydrophobicContact CD1-CE2 4.42Å; F357-F360 PolarHBondContact O-N 2.94Å; D358-F360 PolarHBondContact O-N 3.43Å; F360-H362 PolarHBondContact O-N 3.04Å; F360-Y379 WeakPolarHBondContact CZ-O 3.31Å; F360-G383 VanDerWaalsContact CE1-CA 3.48Å
361	K	98.3	Very high	97.3	Very high	105 Å²	105	38.5 Å²	38.5	46%	0.457	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-73.6	-10.6	164.1	-64	172	174.7	167.6	0	112.3	K301 N302 D358 F359	K301-K361 CarbonylContact C-O 3.46Å; K301-K361 WeakPolarHBondContact CA-O 3.25Å; N302-K361 PolarHBondContact N-O 3.31Å; D358-K361 HydrophobicContact CB-CD 4.36Å; D358-K361 WeakPolarHBondContact O-CB 3.41Å; D358-K361 PolarHBondContact O-N 3.47Å; D358-K361 VanDerWaalsContact O-N 3.12Å; D358-K361 VanDerWaalsContact OD1-CE 3.23Å; D358-K361 WeakPolarHBondContact OD1-CE 3.26Å; D358-K361 IonicContact OD1-NZ 2.92Å; D358-K361 PolarHBondContact OD1-NZ 3.36Å; F359-K361 PolarHBondContact O-N 3.2Å
362	H	98.6	Very high	97.3	Very high	24 Å²	24	36.4 Å²	36.4	11%	0.111	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-115	139.2	-178.2	-65.5	-103.1	0	0	0	110.7	N302 T304 V306 F359 F360 Y364 S385	N302-H362 CarbonylContact O-C 3.37Å; N302-H362 WeakPolarHBondContact O-CA 3.26Å; T304-H362 PolarHBondContact O-ND1 2.74Å; V306-H362 HydrophobicContact CB-CB 4.12Å; V306-H362 HydrophobicContact CG1-CB 3.7Å; F359-H362 PolarHBondContact O-N 2.78Å; F360-H362 PolarHBondContact O-N 3.04Å; H362-Y364 VanDerWaalsContact C-N 3.33Å; H362-Y364 PolarHBondContact O-N 2.79Å; H362-S385 WeakPolarHBondContact O-CB 3.34Å; H362-S385 PolarHBondContact O-OG 3.43Å
363	K	98.8	Very high	97.3	Very high	14 Å²	14	27.9 Å²	27.9	6%	0.061	14%	0.14	C	C	.	.	S	Bend	trans	-63.8	-39.2	175.8	-69.7	-174.7	170.1	-175.4	0	112.1	W298 K301 N302 V386 D429	W298-K363 HydrophobicContact CD2-CD 4.42Å; W298-K363 HydrophobicContact CD2-CG 4.35Å; W298-K363 HydrophobicContact CE3-CG 4.45Å; W298-K363 HydrophobicContact CH2-CB 4.06Å; W298-K363 HydrophobicContact CH2-CD 4.46Å; W298-K363 HydrophobicContact CH2-CG 4.3Å; W298-K363 HydrophobicContact CZ2-CB 4.32Å; W298-K363 HydrophobicContact CZ2-CD 3.88Å; W298-K363 HydrophobicContact CZ2-CG 4.18Å; W298-K363 HydrophobicContact CZ3-CB 4.33Å; W298-K363 HydrophobicContact CZ3-CG 4.43Å; W298-K363 WeakPolarHBondContact O-CE 3.46Å; K301-K363 HydrophobicContact CB-CG 3.59Å; K301-K363 HydrophobicContact CD-CG 4.33Å; N302-K363 PolarHBondContact O-N 2.98Å; K363-V386 WeakPolarHBondContact O-CG1 3.41Å; K363-V386 PolarHBondContact O-N 3.17Å; K363-D429 WeakPolarHBondContact CD-OD1 3.15Å; K363-D429 IonicContact NZ-OD1 2.76Å; K363-D429 PolarHBondContact NZ-OD1 2.74Å; K363-D429 IonicContact NZ-OD2 2.88Å; K363-D429 PolarHBondContact NZ-OD2 2.62Å
364	Y	98.8	Very high	97.4	Very high	1 Å²	1	21.3 Å²	21.3	0%	0.004	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	117.4	-167.9	-45.8	-69.4	0	0	0	111	S303 A305 V306 H362 V386 L388 L422 A425 K426	S303-Y364 WeakPolarHBondContact O-CD2 3.11Å; S303-Y364 VanDerWaalsContact O-CE2 3.27Å; S303-Y364 WeakPolarHBondContact O-CE2 2.98Å; A305-Y364 CarbonylContact C-O 3.59Å; A305-Y364 VanDerWaalsContact CA-O 3.27Å; A305-Y364 WeakPolarHBondContact CA-O 3.15Å; V306-Y364 PolarHBondContact N-O 2.94Å; H362-Y364 VanDerWaalsContact C-N 3.33Å; H362-Y364 PolarHBondContact O-N 2.79Å; Y364-V386 HydrophobicContact CD1-CG1 3.46Å; Y364-V386 VanDerWaalsContact CD1-CG1 3.46Å; Y364-V386 HydrophobicContact CE1-CG1 4.02Å; Y364-V386 HydrophobicContact CG-CG1 4.46Å; Y364-L388 HydrophobicContact CD1-CD1 4.43Å; Y364-L422 HydrophobicContact CG-CD2 4.25Å; Y364-A425 HydrophobicContact CD1-CB 3.92Å; Y364-A425 HydrophobicContact CE1-CB 3.5Å; Y364-A425 VanDerWaalsContact CE1-CB 3.5Å; Y364-A425 PolarHBondContact OH-O 3.26Å; Y364-K426 HydrophobicContact CE2-CG 3.86Å; Y364-K426 WeakPolarHBondContact OH-CA 3.21Å; Y364-K426 WeakPolarHBondContact OH-CG 2.97Å
365	Q	98.8	Very high	97.5	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.005	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	117.8	-179.1	-63.9	177.5	-13.7	0	0	109.8	V306 F359 L380 V386 V387 L388	V306-Q365 HydrophobicContact CG1-CG 4.26Å; F359-Q365 PolarHBondContact O-NE2 3Å; Q365-L380 HydrophobicContact CB-CD2 4.41Å; Q365-L380 VanDerWaalsContact OE1-CD2 3.25Å; Q365-V386 PolarHBondContact N-O 3.4Å; Q365-V387 CarbonylContact O-C 3.42Å; Q365-V387 WeakPolarHBondContact O-CA 3.44Å; Q365-L388 PolarHBondContact O-N 3.36Å
366	I	98.8	Very high	97.6	Very high	4 Å²	4	19.5 Å²	19.5	2%	0.021	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	127.5	-178	-52.9	174	0	0	0	108.5	A305 V306 W307 L319 I330 I368 L418	A305-I366 HydrophobicContact CB-CD1 3.94Å; A305-I366 HydrophobicContact CB-CG1 4.11Å; V306-I366 PolarHBondContact O-N 2.89Å; V306-I366 VanDerWaalsContact O-N 3.16Å; W307-I366 HydrophobicContact CB-CB 4.38Å; W307-I366 VanDerWaalsContact CD1-O 3.29Å; L319-I366 HydrophobicContact CD1-CD1 3.65Å; L319-I366 HydrophobicContact CD1-CG2 4.41Å; L319-I366 HydrophobicContact CD2-CD1 4.5Å; L319-I366 HydrophobicContact CD2-CG2 4.17Å; I330-I366 HydrophobicContact CG2-CD1 3.87Å; I366-I368 HydrophobicContact CG2-CD1 4.09Å; I366-I368 HydrophobicContact CG2-CG1 3.75Å; I366-L418 HydrophobicContact CD1-CD1 4.34Å; I366-L418 HydrophobicContact CD1-CD2 4.26Å
367	N	98.6	Very high	97.7	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.005	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	103.2	175.6	-171.9	63.7	0	0	0	110.6	A374 R376 L377 L380 V387 L388 Q390	N367-A374 WeakPolarHBondContact OD1-CB 3.29Å; N367-R376 WeakPolarHBondContact OD1-CG 3.43Å; N367-L377 HydrophobicContact CB-CD1 4.33Å; N367-L380 HydrophobicContact CB-CD1 4.03Å; N367-V387 HydrophobicContact CB-CG1 3.75Å; N367-L388 PolarHBondContact N-O 3.26Å; N367-Q390 WeakPolarHBondContact O-CB 3.46Å; N367-Q390 PolarHBondContact O-N 3.42Å
368	I	98.1	Very high	97.7	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.075	C	C	.	.			trans	-112.7	131.3	176	-51.9	-167.5	0	0	0	108.9	E315 R316 L319 I366 L415	E315-I368 HydrophobicContact CB-CG2 4.16Å; R316-I368 HydrophobicContact CG-CB 4.19Å; R316-I368 HydrophobicContact CG-CG2 3.67Å; R316-I368 PolarHBondContact NE-O 3.48Å; R316-I368 PolarHBondContact NH2-O 3.41Å; L319-I368 HydrophobicContact CB-CD1 3.67Å; L319-I368 HydrophobicContact CD1-CD1 4.44Å; L319-I368 HydrophobicContact CD2-CD1 3.48Å; L319-I368 VanDerWaalsContact CD2-CD1 3.48Å; L319-I368 HydrophobicContact CD2-CG1 4.26Å; L319-I368 HydrophobicContact CG-CD1 4.03Å; I366-I368 HydrophobicContact CG2-CD1 4.09Å; I366-I368 HydrophobicContact CG2-CG1 3.75Å; I368-L415 HydrophobicContact CD1-CD1 3.58Å; I368-L415 HydrophobicContact CD1-CD2 3.87Å; I368-L415 HydrophobicContact CD1-CG 4.35Å; I368-L415 HydrophobicContact CG1-CD2 4.43Å
369	D	97.4	Very high	97.8	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	6%	0.063	C	C	.	.			trans	-55.4	155.9	173.6	-81.5	8.7	0	0	0	112.8	R313 R316 V372 A374 Q390 S392	R313-D369 IonicContact CZ-OD2 3.96Å; R313-D369 IonicContact NH1-OD2 3.74Å; R313-D369 PolarHBondContact NH1-OD2 3.4Å; R313-D369 IonicContact NH2-OD2 2.62Å; R316-D369 PolarHBondContact NE-O 3.26Å; R316-D369 PolarHBondContact NH2-O 2.93Å; D369-V372 WeakPolarHBondContact CB-O 3.06Å; D369-A374 PolarHBondContact OD1-N 3.05Å; D369-Q390 VanDerWaalsContact N-OE1 3.12Å; D369-S392 WeakPolarHBondContact OD2-CB 3.04Å; D369-S392 PolarHBondContact OD2-OG 3.5Å
370	G	95.1	Very high	97.8	Very high	4 Å²	4	13.1 Å²	13.1	4%	0.041	6%	0.061	C	C	.	.	S	Bend	trans	-104.8	-123	175.2	0	0	0	0	0	110.7	S312 R313 R316 V372	S312-G370 CarbonylContact O-C 3.58Å; S312-G370 WeakPolarHBondContact OG-CA 3.22Å; R313-G370 PolarHBondContact NE-O 2.87Å; R313-G370 PolarHBondContact NH2-O 2.73Å; R316-G370 VanDerWaalsContact CZ-CA 3.41Å; G370-V372 VanDerWaalsContact C-N 3.25Å; G370-V372 PolarHBondContact N-O 2.93Å; G370-V372 PolarHBondContact O-N 2.77Å
371	T	94.9	Very high	97.8	Very high	24 Å²	24	13.2 Å²	13.2	15%	0.147	6%	0.062	C	C	.	.	S	Bend	trans	-56.1	-48.4	167	-47.9	0	0	0	0	110	D238 W239 R313	D238-T371 HydrophobicContact CB-CG2 3.86Å; D238-T371 WeakPolarHBondContact OD2-CB 3.35Å; D238-T371 PolarHBondContact OD2-OG1 3.1Å; W239-T371 HydrophobicContact CD2-CG2 3.93Å; W239-T371 HydrophobicContact CE3-CG2 4.35Å; W239-T371 HydrophobicContact CH2-CG2 3.6Å; W239-T371 HydrophobicContact CZ2-CG2 3.08Å; W239-T371 HydrophobicContact CZ3-CG2 4.19Å; R313-T371 PolarHBondContact NH2-O 3.16Å
372	V	96.7	Very high	97.9	Very high	5 Å²	5	8.2 Å²	8.2	3%	0.03	4%	0.04	C	C	.	.	S	Bend	trans	-131.9	-159.3	175	-64.5	0	0	0	0	110.5	D238 W239 C257 D369 G370 Y375 Y394	D238-V372 HydrophobicContact CB-CG1 4.27Å; D238-V372 HydrophobicContact CB-CG2 4.21Å; D238-V372 WeakPolarHBondContact O-CG1 3.44Å; W239-V372 HydrophobicContact CG-CG1 4.39Å; C257-V372 HydrophobicContact CB-CB 4.13Å; C257-V372 HydrophobicContact CB-CG2 3.98Å; D369-V372 WeakPolarHBondContact CB-O 3.06Å; G370-V372 VanDerWaalsContact C-N 3.25Å; G370-V372 PolarHBondContact N-O 2.93Å; G370-V372 PolarHBondContact O-N 2.77Å; V372-Y375 HydrophobicContact CG2-CE1 4.35Å; V372-Y394 HydrophobicContact CB-CD1 3.98Å; V372-Y394 HydrophobicContact CB-CE1 4.27Å; V372-Y394 HydrophobicContact CB-CG 4.27Å; V372-Y394 HydrophobicContact CG1-CD1 3.9Å; V372-Y394 HydrophobicContact CG1-CE1 3.7Å
373	A	97.5	Very high	97.8	Very high	5 Å²	5	7.1 Å²	7.1	4%	0.041	4%	0.035	C	C	.	.	S	Bend	trans	-48.3	142	177.2	0	0	0	0	0	111.8	Y375 E396 Y399	A373-Y375 VanDerWaalsContact O-CD1 3.31Å; A373-Y375 WeakPolarHBondContact O-CD1 3.33Å; A373-Y375 WeakPolarHBondContact O-CE1 3.35Å; A373-Y375 PolarHBondContact O-N 3.18Å; A373-E396 HydrophobicContact CB-CG 3.87Å; A373-Y399 HydrophobicContact CB-CE2 4.16Å
374	A	96.9	Very high	97.7	Very high	5 Å²	5	8 Å²	8	4%	0.041	4%	0.04	C	C	.	.			trans	-82.1	103.7	-179.1	0	0	0	0	0	111.5	N367 D369 R376 L377 Y399	N367-A374 WeakPolarHBondContact OD1-CB 3.29Å; D369-A374 PolarHBondContact OD1-N 3.05Å; A374-R376 HydrophobicContact CB-CG 4.29Å; A374-R376 PolarHBondContact O-N 3.28Å; A374-L377 PolarHBondContact O-N 3.04Å; A374-Y399 PolarHBondContact O-OH 3.22Å
375	Y	96.8	Very high	97.7	Very high	28 Å²	28	8 Å²	8	11%	0.11	4%	0.041	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-2.1	-178.5	-57	-14.4	0	0	0	115.4	W256 T269 Y270 D271 V372 A373 L377 P378 E396	W256-Y375 WeakPolarHBondContact CB-OH 3.43Å; T269-Y375 HydrophobicContact CG2-CD1 3.47Å; T269-Y375 VanDerWaalsContact CG2-CD1 3.47Å; T269-Y375 HydrophobicContact CG2-CD2 4.32Å; T269-Y375 HydrophobicContact CG2-CE1 3.38Å; T269-Y375 HydrophobicContact CG2-CE2 4.25Å; T269-Y375 HydrophobicContact CG2-CG 3.96Å; Y270-Y375 HydrophobicContact CD1-CE2 4.15Å; Y270-Y375 HydrophobicContact CE1-CD2 4.18Å; Y270-Y375 AromaticContact CE1-CE2 3.51Å; Y270-Y375 HydrophobicContact CE1-CE2 3.51Å; Y270-Y375 AromaticContact CZ-CE2 3.81Å; D271-Y375 HydrophobicContact CB-CD2 4.34Å; V372-Y375 HydrophobicContact CG2-CE1 4.35Å; A373-Y375 VanDerWaalsContact O-CD1 3.31Å; A373-Y375 WeakPolarHBondContact O-CD1 3.33Å; A373-Y375 WeakPolarHBondContact O-CE1 3.35Å; A373-Y375 PolarHBondContact O-N 3.18Å; Y375-L377 VanDerWaalsContact C-N 3.33Å; Y375-P378 WeakPolarHBondContact O-CD 3.5Å; Y375-E396 HydrophobicContact CD1-CG 4.27Å; Y375-E396 HydrophobicContact CE1-CG 4.45Å
376	R	97	Very high	97.7	Very high	50 Å²	50	8 Å²	8	19%	0.189	4%	0.04	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-18.5	170.1	68	175.3	63.9	94.1	-3.1	113.7	F356 N367 A374 P378 Y379 L380	F356-R376 HydrophobicContact CE2-CB 3.79Å; F356-R376 HydrophobicContact CZ-CB 4.05Å; N367-R376 WeakPolarHBondContact OD1-CG 3.43Å; A374-R376 HydrophobicContact CB-CG 4.29Å; A374-R376 PolarHBondContact O-N 3.28Å; R376-P378 VanDerWaalsContact C-CD 3.49Å; R376-Y379 PolarHBondContact O-N 3.05Å; R376-Y379 VanDerWaalsContact O-N 3.16Å; R376-L380 HydrophobicContact CG-CD1 3.86Å; R376-L380 HydrophobicContact CG-CG 4.26Å; R376-L380 WeakPolarHBondContact O-CG 3.21Å; R376-L380 PolarHBondContact O-N 2.71Å
377	L	98.6	Very high	97.7	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-54	-45.3	-174.3	-173.5	61.7	0	0	0	114.3	N367 A374 Y375 Y379 L380 L381 V387 K389 F398 Y399 L402	N367-L377 HydrophobicContact CB-CD1 4.33Å; A374-L377 PolarHBondContact O-N 3.04Å; Y375-L377 VanDerWaalsContact C-N 3.33Å; L377-Y379 VanDerWaalsContact C-N 3.26Å; L377-Y379 PolarHBondContact O-N 2.88Å; L377-L380 PolarHBondContact O-N 2.96Å; L377-L381 HydrophobicContact CD1-CD1 4.14Å; L377-L381 HydrophobicContact CD1-CD2 4.38Å; L377-L381 HydrophobicContact CD1-CG 3.9Å; L377-L381 HydrophobicContact CD2-CD1 4.3Å; L377-L381 HydrophobicContact CG-CD1 3.81Å; L377-L381 HydrophobicContact CG-CG 4.07Å; L377-L381 WeakPolarHBondContact O-CB 3.48Å; L377-L381 WeakPolarHBondContact O-CG 3.45Å; L377-L381 PolarHBondContact O-N 3.44Å; L377-V387 HydrophobicContact CD1-CG1 3.78Å; L377-K389 HydrophobicContact CD2-CD 3.87Å; L377-F398 HydrophobicContact CB-CZ 4.46Å; L377-F398 HydrophobicContact CD2-CE2 4.3Å; L377-F398 HydrophobicContact CD2-CZ 4.27Å; L377-F398 HydrophobicContact CG-CZ 4.3Å; L377-Y399 HydrophobicContact CB-CE1 4.24Å; L377-Y399 WeakPolarHBondContact CB-OH 3.48Å; L377-Y399 HydrophobicContact CD2-CD1 4.03Å; L377-Y399 HydrophobicContact CD2-CE1 3.38Å; L377-Y399 HydrophobicContact CD2-CE2 3.9Å; L377-Y399 WeakPolarHBondContact CD2-OH 3.44Å; L377-Y399 HydrophobicContact CG-CE1 4.28Å; L377-L402 HydrophobicContact CD2-CD1 3.92Å
378	P	98.6	Very high	97.7	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-56.1	-41.3	178.4	21.5	-34.7	0	0	0	112.4	L272 M287 Y375 R376 L381 V382 F398 L447	L272-P378 HydrophobicContact CD1-CB 4.3Å; L272-P378 HydrophobicContact CD1-CG 4.39Å; L272-P378 HydrophobicContact CD2-CB 4.45Å; M287-P378 HydrophobicContact CE-CB 4.32Å; M287-P378 HydrophobicContact SD-CB 4.08Å; Y375-P378 WeakPolarHBondContact O-CD 3.5Å; R376-P378 VanDerWaalsContact C-CD 3.49Å; P378-L381 PolarHBondContact O-N 3.22Å; P378-V382 PolarHBondContact O-N 2.59Å; P378-F398 HydrophobicContact CB-CE1 4.31Å; P378-F398 HydrophobicContact CB-CZ 4.17Å; P378-L447 HydrophobicContact CB-CD1 3.96Å
379	Y	98.7	Very high	97.7	Very high	4 Å²	4	8.5 Å²	8.5	2%	0.016	4%	0.042	C	C	.	.	H	α-helix	trans	-73.6	-35.6	178.7	-47.8	-66.9	0	0	0	113.1	D271 L272 S275 L285 M287 V290 F356 F360 R376 L377 L381 G383	D271-Y379 PolarHBondContact O-OH 2.96Å; D271-Y379 WeakPolarHBondContact OD2-CE2 3.46Å; D271-Y379 PolarHBondContact OD2-OH 2.87Å; L272-Y379 HydrophobicContact CD1-CE1 4.4Å; S275-Y379 WeakPolarHBondContact CB-OH 3.21Å; L285-Y379 HydrophobicContact CD1-CD1 4.31Å; L285-Y379 HydrophobicContact CD1-CG 4.38Å; L285-Y379 HydrophobicContact CD2-CD2 4.16Å; L285-Y379 HydrophobicContact CD2-CE2 4.29Å; L285-Y379 HydrophobicContact CD2-CG 4.35Å; L285-Y379 HydrophobicContact CG-CD1 4.21Å; L285-Y379 HydrophobicContact CG-CE1 4.3Å; L285-Y379 HydrophobicContact CG-CG 4.35Å; M287-Y379 HydrophobicContact SD-CD1 3.67Å; M287-Y379 HydrophobicContact SD-CE1 3.96Å; V290-Y379 HydrophobicContact CG2-CD1 4.41Å; F356-Y379 HydrophobicContact CE1-CG 4.34Å; F356-Y379 HydrophobicContact CZ-CD2 4.42Å; F356-Y379 HydrophobicContact CZ-CG 4.43Å; F360-Y379 WeakPolarHBondContact CZ-O 3.31Å; R376-Y379 PolarHBondContact O-N 3.05Å; R376-Y379 VanDerWaalsContact O-N 3.16Å; L377-Y379 VanDerWaalsContact C-N 3.26Å; L377-Y379 PolarHBondContact O-N 2.88Å; Y379-L381 VanDerWaalsContact C-N 3.33Å; Y379-G383 PolarHBondContact O-N 3.29Å
380	L	98.8	Very high	97.8	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-64.1	-43	173.7	-62.5	179.5	0	0	0	110.5	F356 F359 Q365 N367 R376 L377 G383 V387	F356-L380 HydrophobicContact CE1-CD2 4.03Å; F356-L380 HydrophobicContact CE2-CD2 4.24Å; F356-L380 HydrophobicContact CZ-CD2 3.48Å; F356-L380 VanDerWaalsContact CZ-CD2 3.48Å; F356-L380 HydrophobicContact CZ-CG 3.95Å; F359-L380 HydrophobicContact CD1-CD2 4.16Å; Q365-L380 HydrophobicContact CB-CD2 4.41Å; Q365-L380 VanDerWaalsContact OE1-CD2 3.25Å; N367-L380 HydrophobicContact CB-CD1 4.03Å; R376-L380 HydrophobicContact CG-CD1 3.86Å; R376-L380 HydrophobicContact CG-CG 4.26Å; R376-L380 WeakPolarHBondContact O-CG 3.21Å; R376-L380 PolarHBondContact O-N 2.71Å; L377-L380 PolarHBondContact O-N 2.96Å; L380-G383 PolarHBondContact O-N 3Å; L380-V387 HydrophobicContact CB-CG2 3.75Å
381	L	98.8	Very high	97.9	Very high	3 Å²	3	13.4 Å²	13.4	2%	0.016	7%	0.068	C	C	.	.	H	α-helix	trans	-63.4	-45.9	179.1	-72.4	171.4	0	0	0	112.2	L377 P378 Y379 G383 V387 F398 L402 Q440 A443	L377-L381 HydrophobicContact CD1-CD1 4.14Å; L377-L381 HydrophobicContact CD1-CD2 4.38Å; L377-L381 HydrophobicContact CD1-CG 3.9Å; L377-L381 HydrophobicContact CD2-CD1 4.3Å; L377-L381 HydrophobicContact CG-CD1 3.81Å; L377-L381 HydrophobicContact CG-CG 4.07Å; L377-L381 WeakPolarHBondContact O-CB 3.48Å; L377-L381 WeakPolarHBondContact O-CG 3.45Å; L377-L381 PolarHBondContact O-N 3.44Å; P378-L381 PolarHBondContact O-N 3.22Å; Y379-L381 VanDerWaalsContact C-N 3.33Å; L381-G383 PolarHBondContact O-N 2.89Å; L381-V387 HydrophobicContact CD2-CG2 4.22Å; L381-F398 HydrophobicContact CD1-CE2 3.63Å; L381-F398 HydrophobicContact CD1-CZ 4.32Å; L381-L402 HydrophobicContact CD1-CD1 4Å; L381-L402 HydrophobicContact CD1-CD2 3.94Å; L381-Q440 WeakPolarHBondContact O-CA 3.42Å; L381-Q440 PolarHBondContact O-N 2.82Å; L381-A443 HydrophobicContact CB-CB 3.89Å
382	V	98.6	Very high	97.9	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-71.7	-10.1	-177.5	85	0	0	0	0	113.7	M287 V290 Q291 P378 Q440 A443 R444	M287-V382 HydrophobicContact CE-CB 3.59Å; M287-V382 HydrophobicContact CE-CG1 3.82Å; M287-V382 HydrophobicContact CE-CG2 3.84Å; M287-V382 HydrophobicContact SD-CB 4.48Å; M287-V382 HydrophobicContact SD-CG1 4.06Å; V290-V382 HydrophobicContact CB-CG1 3.63Å; V290-V382 HydrophobicContact CG1-CG1 3.45Å; V290-V382 VanDerWaalsContact CG1-CG1 3.45Å; V290-V382 HydrophobicContact CG2-CG1 4.29Å; Q291-V382 HydrophobicContact CG-CG2 3.63Å; P378-V382 PolarHBondContact O-N 2.59Å; V382-Q440 PolarHBondContact O-NE2 3.02Å; V382-A443 HydrophobicContact CB-CB 3.74Å; V382-A443 HydrophobicContact CG2-CB 3.99Å; V382-R444 HydrophobicContact CG2-CG 3.87Å
383	G	97.8	Very high	97.9	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.085	C	C	.	.	S	Bend	trans	-73.1	-171.2	167.1	0	0	0	0	0	113.1	F360 Y379 L380 L381 Q440	F360-G383 VanDerWaalsContact CE1-CA 3.48Å; Y379-G383 PolarHBondContact O-N 3.29Å; L380-G383 PolarHBondContact O-N 3Å; L381-G383 PolarHBondContact O-N 2.89Å; G383-Q440 VanDerWaalsContact C-NE2 3.31Å; G383-Q440 VanDerWaalsContact O-CB 3.28Å; G383-Q440 WeakPolarHBondContact O-CB 3.47Å; G383-Q440 WeakPolarHBondContact O-CG 3.47Å; G383-Q440 PolarHBondContact O-NE2 3.2Å
384	D	96.5	Very high	98	Very high	33 Å²	33	18.2 Å²	18.2	18%	0.176	9%	0.09	C	C	.	.	S	Bend	trans	-113.9	20.5	-175.7	70.3	-9.9	0	0	0	113.2	T294 K301	T294-D384 WeakPolarHBondContact CB-OD1 3.45Å; T294-D384 VanDerWaalsContact CB-OD2 3.27Å; T294-D384 WeakPolarHBondContact CB-OD2 3.41Å; T294-D384 HydrophobicContact CG2-CB 4.26Å; T294-D384 PolarHBondContact OG1-OD2 3.14Å; K301-D384 WeakPolarHBondContact CE-OD1 3.48Å; K301-D384 WeakPolarHBondContact CE-OD2 3.14Å; K301-D384 IonicContact NZ-OD1 2.73Å; K301-D384 PolarHBondContact NZ-OD1 3.13Å; K301-D384 IonicContact NZ-OD2 3.78Å; K301-D384 PolarHBondContact NZ-OD2 3.34Å
385	S	98.6	Very high	98	Very high	2 Å²	2	19.3 Å²	19.3	1%	0.014	9%	0.094	C	C	.	.	S	Bend	trans	-113.9	151.3	-177	-57.5	0	0	0	0	109.8	H362	H362-S385 WeakPolarHBondContact O-CB 3.34Å; H362-S385 PolarHBondContact O-OG 3.43Å
386	V	98.8	Very high	98.1	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	131	-178.2	70.9	0	0	0	0	110.7	W298 K363 Y364 Q365 I409 A432 I435 A436	W298-V386 HydrophobicContact CH2-CB 4.29Å; W298-V386 HydrophobicContact CH2-CG1 4.18Å; K363-V386 WeakPolarHBondContact O-CG1 3.41Å; K363-V386 PolarHBondContact O-N 3.17Å; Y364-V386 HydrophobicContact CD1-CG1 3.46Å; Y364-V386 VanDerWaalsContact CD1-CG1 3.46Å; Y364-V386 HydrophobicContact CE1-CG1 4.02Å; Y364-V386 HydrophobicContact CG-CG1 4.46Å; Q365-V386 PolarHBondContact N-O 3.4Å; V386-I409 HydrophobicContact CG1-CD1 4.31Å; V386-I409 HydrophobicContact CG2-CD1 3.74Å; V386-I409 HydrophobicContact CG2-CG1 3.87Å; V386-A432 HydrophobicContact CG1-CB 4.36Å; V386-I435 HydrophobicContact CG2-CB 4.17Å; V386-I435 HydrophobicContact CG2-CG2 3.83Å; V386-A436 HydrophobicContact CB-CB 3.97Å
387	V	98.9	Very high	98.2	Very high	2 Å²	2	16 Å²	16	1%	0.012	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	126.9	177.6	-175.5	0	0	0	0	110.2	Q365 N367 L377 L380 L381 K389 Y408 I409	Q365-V387 CarbonylContact O-C 3.42Å; Q365-V387 WeakPolarHBondContact O-CA 3.44Å; N367-V387 HydrophobicContact CB-CG1 3.75Å; L377-V387 HydrophobicContact CD1-CG1 3.78Å; L380-V387 HydrophobicContact CB-CG2 3.75Å; L381-V387 HydrophobicContact CD2-CG2 4.22Å; V387-K389 HydrophobicContact CG1-CB 4.39Å; V387-Y408 WeakPolarHBondContact O-CB 3.34Å; V387-I409 PolarHBondContact O-N 3Å
388	L	98.9	Very high	98.2	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	101.2	165.2	-68.7	93	0	0	0	108.2	Y364 Q365 N367 I409 V411 L418 K421 L422	Y364-L388 HydrophobicContact CD1-CD1 4.43Å; Q365-L388 PolarHBondContact O-N 3.36Å; N367-L388 PolarHBondContact N-O 3.26Å; L388-I409 CarbonylContact C-O 3.48Å; L388-I409 WeakPolarHBondContact CA-O 3.29Å; L388-I409 HydrophobicContact CD2-CG2 4.48Å; L388-I409 HydrophobicContact CG-CB 4.25Å; L388-I409 HydrophobicContact CG-CG2 4.43Å; L388-V411 HydrophobicContact CB-CG2 3.94Å; L388-V411 HydrophobicContact CD2-CG2 4.19Å; L388-L418 HydrophobicContact CD2-CD1 3.96Å; L388-K421 HydrophobicContact CD2-CB 4.17Å; L388-L422 HydrophobicContact CD1-CD2 3.94Å; L388-L422 HydrophobicContact CD2-CD2 3.53Å; L388-L422 HydrophobicContact CD2-CG 3.79Å; L388-L422 HydrophobicContact CG-CD2 4.41Å
389	K	98.8	Very high	98.2	Very high	13 Å²	13	17 Å²	17	6%	0.057	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	124.7	-173.6	-170.5	-172	174	-67	0	110.4	L377 V387 Y399 Y408 I409 V411	L377-K389 HydrophobicContact CD2-CD 3.87Å; V387-K389 HydrophobicContact CG1-CB 4.39Å; K389-Y399 VanDerWaalsContact CE-CE2 3.46Å; K389-Y408 HydrophobicContact CB-CD2 3.38Å; K389-Y408 HydrophobicContact CB-CE2 3.77Å; K389-Y408 HydrophobicContact CB-CG 3.94Å; K389-Y408 HydrophobicContact CD-CD1 4.35Å; K389-Y408 HydrophobicContact CD-CD2 4.15Å; K389-Y408 HydrophobicContact CD-CE1 4.22Å; K389-Y408 HydrophobicContact CD-CE2 3.99Å; K389-Y408 HydrophobicContact CD-CG 4.32Å; K389-Y408 HydrophobicContact CG-CD2 4.35Å; K389-Y408 HydrophobicContact CG-CE2 4.38Å; K389-I409 PolarHBondContact N-O 3.14Å; K389-V411 PolarHBondContact O-N 3.08Å
390	Q	98.1	Very high	98.1	Very high	5 Å²	5	20.6 Å²	20.6	2%	0.023	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	133.7	170	-172.1	-166.8	15.6	0	0	110.9	N367 D369 V411 S413 L415	N367-Q390 WeakPolarHBondContact O-CB 3.46Å; N367-Q390 PolarHBondContact O-N 3.42Å; D369-Q390 VanDerWaalsContact N-OE1 3.12Å; Q390-V411 CarbonylContact C-O 3.51Å; Q390-S413 PolarHBondContact NE2-O 3.08Å; Q390-L415 HydrophobicContact CG-CD2 4.21Å
391	D	97.8	Very high	98.1	Very high	103 Å²	103	24.4 Å²	24.4	55%	0.551	12%	0.123	S	C	*	.	P	Polyproline II helix	trans	-67	127	167.1	-176.6	32.8	0	0	0	109.5	V411 S413	D391-V411 WeakPolarHBondContact CB-O 3.16Å; D391-V411 PolarHBondContact N-O 3.4Å; D391-S413 VanDerWaalsContact O-CA 3.26Å; D391-S413 WeakPolarHBondContact O-CA 3.48Å; D391-S413 VanDerWaalsContact O-CB 3.26Å; D391-S413 WeakPolarHBondContact O-CB 3.5Å
392	S	95.9	Very high	98.1	Very high	27 Å²	27	24.8 Å²	24.8	19%	0.189	13%	0.125	C	C	.	.			trans	-151.5	149.3	-169.5	-177.1	0	0	0	0	111.1	D369 Y394	D369-S392 WeakPolarHBondContact OD2-CB 3.04Å; D369-S392 PolarHBondContact OD2-OG 3.5Å; S392-Y394 PolarHBondContact O-N 3.24Å; S392-Y394 PolarHBondContact OG-N 3.38Å; S392-Y394 VanDerWaalsContact OG-N 3.08Å
393	I	96.7	Very high	98.1	Very high	69 Å²	69	29.6 Å²	29.6	35%	0.354	15%	0.147	S	C	.	.	S	Bend	trans	-67.6	-24.8	169.7	65.6	171.2	0	0	0	112.2	S259 T260	S259-I393 CarbonylContact C-O 3.59Å; S259-I393 WeakPolarHBondContact CA-O 3.27Å; T260-I393 PolarHBondContact N-O 2.75Å; T260-I393 VanDerWaalsContact OG1-CB 3.25Å; T260-I393 WeakPolarHBondContact OG1-CB 3.26Å; T260-I393 VanDerWaalsContact OG1-CG2 3.31Å; T260-I393 WeakPolarHBondContact OG1-CG2 3.03Å
394	Y	98.3	Very high	98.1	Very high	38 Å²	38	32.9 Å²	32.9	15%	0.149	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	141.9	-174.5	-63.5	-75.6	0	0	0	111.8	G258 V372 S392	G258-Y394 WeakPolarHBondContact O-CA 3.29Å; V372-Y394 HydrophobicContact CB-CD1 3.98Å; V372-Y394 HydrophobicContact CB-CE1 4.27Å; V372-Y394 HydrophobicContact CB-CG 4.27Å; V372-Y394 HydrophobicContact CG1-CD1 3.9Å; V372-Y394 HydrophobicContact CG1-CE1 3.7Å; S392-Y394 PolarHBondContact O-N 3.24Å; S392-Y394 PolarHBondContact OG-N 3.38Å; S392-Y394 VanDerWaalsContact OG-N 3.08Å
395	Y	98.3	Very high	98.2	Very high	28 Å²	28	36.3 Å²	36.3	11%	0.11	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	143.6	-179	64.4	-95.7	0	0	0	112.5	G258 S259 V266	G258-Y395 PolarHBondContact N-O 3.33Å; G258-Y395 PolarHBondContact O-N 3.34Å; G258-Y395 VanDerWaalsContact O-N 3.1Å; S259-Y395 VanDerWaalsContact C-CE1 3.42Å; S259-Y395 VanDerWaalsContact N-CE1 3.34Å; V266-Y395 HydrophobicContact CB-CE2 4.32Å; V266-Y395 HydrophobicContact CG2-CD2 4.2Å; V266-Y395 HydrophobicContact CG2-CE2 3.49Å; V266-Y395 VanDerWaalsContact CG2-CE2 3.49Å
396	E	98.4	Very high	98.2	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.199	C	C	.	.			trans	-90.6	171.4	164.9	-56.5	175.7	-114.9	0	0	109.9	T269 A373 Y375 F398 Y399	T269-E396 HydrophobicContact CG2-CG 3.93Å; T269-E396 WeakPolarHBondContact CG2-OE2 3.47Å; A373-E396 HydrophobicContact CB-CG 3.87Å; Y375-E396 HydrophobicContact CD1-CG 4.27Å; Y375-E396 HydrophobicContact CE1-CG 4.45Å; E396-F398 HydrophobicContact CB-CD1 4.16Å; E396-F398 HydrophobicContact CB-CE1 3.99Å; E396-F398 PolarHBondContact O-N 3.4Å; E396-Y399 HydrophobicContact CB-CD1 3.66Å; E396-Y399 HydrophobicContact CB-CE1 3.52Å; E396-Y399 HydrophobicContact CB-CG 4.43Å; E396-Y399 HydrophobicContact CG-CD1 4.19Å; E396-Y399 HydrophobicContact CG-CE1 3.55Å; E396-Y399 PolarHBondContact O-N 3.36Å; E396-Y399 WeakPolarHBondContact OE1-CE1 3.37Å; E396-Y399 PolarHBondContact OE1-OH 2.9Å
397	H	98.6	Very high	98.2	Very high	8 Å²	8	41.7 Å²	41.7	4%	0.037	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-23.6	-173.8	70.3	-72.6	0	0	0	116.2	Q159 V266 Y455	Q159-H397 VanDerWaalsContact CB-O 3.26Å; Q159-H397 WeakPolarHBondContact CB-O 3.47Å; Q159-H397 VanDerWaalsContact CG-O 3.22Å; Q159-H397 WeakPolarHBondContact CG-O 3.35Å; V266-H397 HydrophobicContact CG1-CB 4.12Å; H397-Y455 HydrophobicContact CB-CE1 4.25Å; H397-Y455 HydrophobicContact CB-CE2 3.82Å; H397-Y455 AromaticContact CD2-CD2 3.71Å; H397-Y455 AromaticContact CD2-CE2 3.73Å
398	F	98.6	Very high	98.2	Very high	9 Å²	9	43 Å²	43	4%	0.039	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.3	-9.7	-177.7	69.3	-87.3	0	0	0	114.4	L377 P378 L381 E396 N400 E401 L402 F442 L447	L377-F398 HydrophobicContact CB-CZ 4.46Å; L377-F398 HydrophobicContact CD2-CE2 4.3Å; L377-F398 HydrophobicContact CD2-CZ 4.27Å; L377-F398 HydrophobicContact CG-CZ 4.3Å; P378-F398 HydrophobicContact CB-CE1 4.31Å; P378-F398 HydrophobicContact CB-CZ 4.17Å; L381-F398 HydrophobicContact CD1-CE2 3.63Å; L381-F398 HydrophobicContact CD1-CZ 4.32Å; E396-F398 HydrophobicContact CB-CD1 4.16Å; E396-F398 HydrophobicContact CB-CE1 3.99Å; E396-F398 PolarHBondContact O-N 3.4Å; F398-N400 VanDerWaalsContact C-N 3.26Å; F398-N400 PolarHBondContact O-N 3.15Å; F398-E401 PolarHBondContact O-N 3.39Å; F398-E401 VanDerWaalsContact O-N 3.08Å; F398-L402 HydrophobicContact CD2-CD1 4.12Å; F398-L402 HydrophobicContact CD2-CD2 4.29Å; F398-L402 HydrophobicContact CD2-CG 4.12Å; F398-L402 HydrophobicContact CE2-CD1 3.85Å; F398-L402 HydrophobicContact CE2-CD2 4.43Å; F398-L402 HydrophobicContact CE2-CG 4.31Å; F398-F442 HydrophobicContact CB-CE1 4.36Å; F398-F442 HydrophobicContact CB-CZ 4.39Å; F398-F442 AromaticContact CD2-CE1 3.74Å; F398-F442 HydrophobicContact CD2-CE1 3.74Å; F398-F442 HydrophobicContact CD2-CZ 4.37Å; F398-F442 HydrophobicContact CG-CE1 4.45Å; F398-L447 HydrophobicContact CB-CD2 3.81Å; F398-L447 HydrophobicContact CD1-CD1 4.3Å; F398-L447 HydrophobicContact CD1-CD2 3.74Å; F398-L447 HydrophobicContact CD2-CD1 4.05Å; F398-L447 HydrophobicContact CD2-CD2 4.39Å; F398-L447 HydrophobicContact CE1-CD1 4.3Å; F398-L447 HydrophobicContact CE1-CD2 4.39Å; F398-L447 HydrophobicContact CE2-CD1 4Å; F398-L447 HydrophobicContact CG-CD1 4.17Å; F398-L447 HydrophobicContact CG-CD2 3.73Å; F398-L447 HydrophobicContact CZ-CD1 4.13Å
399	Y	98.4	Very high	98.2	Very high	14 Å²	14	43 Å²	43	6%	0.055	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-62.2	-34	-168.5	-86.4	35.7	0	0	0	112.7	A373 A374 L377 K389 E396 E401 L402	A373-Y399 HydrophobicContact CB-CE2 4.16Å; A374-Y399 PolarHBondContact O-OH 3.22Å; L377-Y399 HydrophobicContact CB-CE1 4.24Å; L377-Y399 WeakPolarHBondContact CB-OH 3.48Å; L377-Y399 HydrophobicContact CD2-CD1 4.03Å; L377-Y399 HydrophobicContact CD2-CE1 3.38Å; L377-Y399 HydrophobicContact CD2-CE2 3.9Å; L377-Y399 WeakPolarHBondContact CD2-OH 3.44Å; L377-Y399 HydrophobicContact CG-CE1 4.28Å; K389-Y399 VanDerWaalsContact CE-CE2 3.46Å; E396-Y399 HydrophobicContact CB-CD1 3.66Å; E396-Y399 HydrophobicContact CB-CE1 3.52Å; E396-Y399 HydrophobicContact CB-CG 4.43Å; E396-Y399 HydrophobicContact CG-CD1 4.19Å; E396-Y399 HydrophobicContact CG-CE1 3.55Å; E396-Y399 PolarHBondContact O-N 3.36Å; E396-Y399 WeakPolarHBondContact OE1-CE1 3.37Å; E396-Y399 PolarHBondContact OE1-OH 2.9Å; Y399-E401 PolarHBondContact O-N 2.89Å; Y399-L402 HydrophobicContact CD1-CD1 4.48Å; Y399-L402 WeakPolarHBondContact O-CB 3.41Å; Y399-L402 PolarHBondContact O-N 2.88Å
400	N	97.3	Very high	98.2	Very high	79 Å²	79	43.7 Å²	43.7	42%	0.422	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-69.4	-14.8	-178.8	-74	-37.2	0	0	0	113.4	Q159 R162 F398	Q159-N400 PolarHBondContact OE1-ND2 2.99Å; R162-N400 VanDerWaalsContact NH2-CB 3.28Å; F398-N400 VanDerWaalsContact C-N 3.26Å; F398-N400 PolarHBondContact O-N 3.15Å
401	E	97.9	Very high	98.3	Very high	79 Å²	79	43.7 Å²	43.7	37%	0.369	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-93.9	-4.8	172.4	-51.4	-46.8	147.5	0	0	112.6	A158 R162 F398 Y399 F442	A158-E401 WeakPolarHBondContact CB-OE1 3.48Å; R162-E401 IonicContact CZ-OE1 2.73Å; R162-E401 IonicContact NH1-OE1 3.91Å; R162-E401 PolarHBondContact NH1-OE1 3.26Å; R162-E401 IonicContact NH2-OE1 3.31Å; R162-E401 PolarHBondContact NH2-OE1 3.11Å; F398-E401 PolarHBondContact O-N 3.39Å; F398-E401 VanDerWaalsContact O-N 3.08Å; Y399-E401 PolarHBondContact O-N 2.89Å; E401-F442 HydrophobicContact CB-CE2 3.76Å; E401-F442 HydrophobicContact CB-CZ 3.89Å
402	L	98.6	Very high	98.3	Very high	12 Å²	12	44 Å²	44	6%	0.063	21%	0.21	C	C	.	.			trans	-77.8	131.9	172.2	-60.4	177.2	0	0	0	110.8	L377 L381 F398 Y399 H407 Y408 F442	L377-L402 HydrophobicContact CD2-CD1 3.92Å; L381-L402 HydrophobicContact CD1-CD1 4Å; L381-L402 HydrophobicContact CD1-CD2 3.94Å; F398-L402 HydrophobicContact CD2-CD1 4.12Å; F398-L402 HydrophobicContact CD2-CD2 4.29Å; F398-L402 HydrophobicContact CD2-CG 4.12Å; F398-L402 HydrophobicContact CE2-CD1 3.85Å; F398-L402 HydrophobicContact CE2-CD2 4.43Å; F398-L402 HydrophobicContact CE2-CG 4.31Å; Y399-L402 HydrophobicContact CD1-CD1 4.48Å; Y399-L402 WeakPolarHBondContact O-CB 3.41Å; Y399-L402 PolarHBondContact O-N 2.88Å; L402-H407 WeakPolarHBondContact CA-ND1 3.03Å; L402-H407 HydrophobicContact CD2-CB 4.1Å; L402-Y408 HydrophobicContact CB-CD1 4.09Å; L402-Y408 HydrophobicContact CB-CE1 3.7Å; L402-Y408 HydrophobicContact CD1-CD1 4.42Å; L402-Y408 HydrophobicContact CD1-CE1 4.44Å; L402-F442 HydrophobicContact CD2-CD1 3.45Å; L402-F442 VanDerWaalsContact CD2-CD1 3.45Å; L402-F442 HydrophobicContact CD2-CD2 4.36Å; L402-F442 HydrophobicContact CD2-CE1 3.46Å; L402-F442 VanDerWaalsContact CD2-CE1 3.46Å; L402-F442 HydrophobicContact CD2-CE2 4.34Å; L402-F442 HydrophobicContact CD2-CG 3.94Å; L402-F442 HydrophobicContact CD2-CZ 3.92Å; L402-F442 HydrophobicContact CG-CE1 4.36Å
403	Q	98.6	Very high	98.4	Very high	100 Å²	100	45.6 Å²	45.6	47%	0.467	22%	0.221	S	C	.	.			trans	-105.5	123.3	178.5	-68.8	178.6	-13.3	0	0	109.8	K406 H407	Q403-K406 HydrophobicContact CB-CB 3.89Å; Q403-K406 HydrophobicContact CB-CD 4.12Å; Q403-K406 PolarHBondContact O-N 2.05Å; Q403-H407 PolarHBondContact N-ND1 3.45Å; Q403-H407 VanDerWaalsContact N-ND1 3.1Å; Q403-H407 PolarHBondContact O-N 3.48Å
404	P	98.8	Very high	98.4	Very high	69 Å²	69	46.9 Å²	46.9	45%	0.448	23%	0.228	S	C	.	.	B	Isolated β-bridge	trans	-60.8	145.7	174.7	26.3	-33.4	0	0	0	110.2	K406 Y408 P410	P404-K406 PolarHBondContact O-N 3.42Å; P404-Y408 HydrophobicContact CB-CE2 4.13Å; P404-P410 HydrophobicContact CB-CB 4.06Å; P404-P410 HydrophobicContact CB-CG 3.86Å
405	W	98.8	Very high	98.4	Very high	106 Å²	106	45.3 Å²	45.3	40%	0.402	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.9	-1.6	-174.2	-57.5	107.8	0	0	0	116.1	Y408 I409 P410 K421 W424 I435	W405-Y408 WeakPolarHBondContact CA-O 3.42Å; W405-Y408 PolarHBondContact N-O 3.45Å; W405-I409 HydrophobicContact CE3-CG1 4.48Å; W405-I409 HydrophobicContact CH2-CG2 3.93Å; W405-I409 HydrophobicContact CZ3-CB 4.5Å; W405-I409 HydrophobicContact CZ3-CG1 4.26Å; W405-I409 HydrophobicContact CZ3-CG2 3.85Å; W405-P410 HydrophobicContact CD2-CG 4.25Å; W405-P410 HydrophobicContact CG-CG 4.38Å; W405-P410 HydrophobicContact CZ2-CG 4.07Å; W405-P410 VanDerWaalsContact NE1-CG 3.34Å; W405-K421 HydrophobicContact CH2-CD 3.64Å; W405-K421 HydrophobicContact CZ2-CD 3.85Å; W405-W424 HydrophobicContact CE3-CH2 4.05Å; W405-W424 HydrophobicContact CE3-CZ2 4.4Å; W405-W424 HydrophobicContact CE3-CZ3 4.17Å; W405-W424 HydrophobicContact CH2-CD2 4.23Å; W405-W424 HydrophobicContact CH2-CE3 4.22Å; W405-W424 AromaticContact CZ3-CD2 3.86Å; W405-W424 HydrophobicContact CZ3-CD2 3.86Å; W405-W424 AromaticContact CZ3-CE3 3.57Å; W405-W424 HydrophobicContact CZ3-CE3 3.57Å; W405-W424 AromaticContact CZ3-CH2 3.75Å; W405-W424 HydrophobicContact CZ3-CH2 3.75Å; W405-W424 AromaticContact CZ3-CZ2 4Å; W405-W424 HydrophobicContact CZ3-CZ2 4Å; W405-W424 AromaticContact CZ3-CZ3 3.54Å; W405-W424 HydrophobicContact CZ3-CZ3 3.54Å; W405-I435 HydrophobicContact CE3-CD1 4.19Å; W405-I435 WeakPolarHBondContact O-CG1 3.42Å
406	K	98.8	Very high	98.4	Very high	101 Å²	101	47.8 Å²	47.8	44%	0.439	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.9	-54	169.2	-174.9	-173	176	-172.4	0	111.3	Q403 P404 A438	Q403-K406 HydrophobicContact CB-CB 3.89Å; Q403-K406 HydrophobicContact CB-CD 4.12Å; Q403-K406 PolarHBondContact O-N 2.05Å; P404-K406 PolarHBondContact O-N 3.42Å; K406-A438 HydrophobicContact CG-CB 4.49Å; K406-A438 WeakPolarHBondContact O-CB 3.39Å
407	H	98.9	Very high	98.4	Very high	14 Å²	14	48.4 Å²	48.4	7%	0.065	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-19.6	-176.6	-54.2	147.2	0	0	0	113.1	L402 Q403 G439 F442	L402-H407 WeakPolarHBondContact CA-ND1 3.03Å; L402-H407 HydrophobicContact CD2-CB 4.1Å; Q403-H407 PolarHBondContact N-ND1 3.45Å; Q403-H407 VanDerWaalsContact N-ND1 3.1Å; Q403-H407 PolarHBondContact O-N 3.48Å; H407-G439 WeakPolarHBondContact O-CA 3.38Å; H407-F442 AromaticContact CE1-CD2 3.77Å
408	Y	98.9	Very high	98.4	Very high	30 Å²	30	48 Å²	48	12%	0.118	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-159.2	164	-179.4	66.7	-91	0	0	0	110.9	V387 K389 L402 P404 W405 P410	V387-Y408 WeakPolarHBondContact O-CB 3.34Å; K389-Y408 HydrophobicContact CB-CD2 3.38Å; K389-Y408 HydrophobicContact CB-CE2 3.77Å; K389-Y408 HydrophobicContact CB-CG 3.94Å; K389-Y408 HydrophobicContact CD-CD1 4.35Å; K389-Y408 HydrophobicContact CD-CD2 4.15Å; K389-Y408 HydrophobicContact CD-CE1 4.22Å; K389-Y408 HydrophobicContact CD-CE2 3.99Å; K389-Y408 HydrophobicContact CD-CG 4.32Å; K389-Y408 HydrophobicContact CG-CD2 4.35Å; K389-Y408 HydrophobicContact CG-CE2 4.38Å; L402-Y408 HydrophobicContact CB-CD1 4.09Å; L402-Y408 HydrophobicContact CB-CE1 3.7Å; L402-Y408 HydrophobicContact CD1-CD1 4.42Å; L402-Y408 HydrophobicContact CD1-CE1 4.44Å; P404-Y408 HydrophobicContact CB-CE2 4.13Å; W405-Y408 WeakPolarHBondContact CA-O 3.42Å; W405-Y408 PolarHBondContact N-O 3.45Å; Y408-P410 HydrophobicContact CE2-CB 3.91Å
409	I	98.9	Very high	98.4	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	117.1	172.1	-61.9	174.6	0	0	0	108.8	V386 V387 L388 K389 W405 K421 W424 A425 I435	V386-I409 HydrophobicContact CG1-CD1 4.31Å; V386-I409 HydrophobicContact CG2-CD1 3.74Å; V386-I409 HydrophobicContact CG2-CG1 3.87Å; V387-I409 PolarHBondContact O-N 3Å; L388-I409 CarbonylContact C-O 3.48Å; L388-I409 WeakPolarHBondContact CA-O 3.29Å; L388-I409 HydrophobicContact CD2-CG2 4.48Å; L388-I409 HydrophobicContact CG-CB 4.25Å; L388-I409 HydrophobicContact CG-CG2 4.43Å; K389-I409 PolarHBondContact N-O 3.14Å; W405-I409 HydrophobicContact CE3-CG1 4.48Å; W405-I409 HydrophobicContact CH2-CG2 3.93Å; W405-I409 HydrophobicContact CZ3-CB 4.5Å; W405-I409 HydrophobicContact CZ3-CG1 4.26Å; W405-I409 HydrophobicContact CZ3-CG2 3.85Å; I409-K421 HydrophobicContact CG2-CB 3.98Å; I409-K421 HydrophobicContact CG2-CD 4.24Å; I409-K421 HydrophobicContact CG2-CG 4.33Å; I409-W424 HydrophobicContact CD1-CE3 4.13Å; I409-W424 HydrophobicContact CD1-CZ3 3.83Å; I409-W424 HydrophobicContact CG1-CZ3 4.29Å; I409-A425 HydrophobicContact CD1-CB 3.7Å; I409-I435 HydrophobicContact CG1-CD1 4.11Å; I409-I435 HydrophobicContact CG1-CG2 4.45Å
410	P	98.8	Very high	98.4	Very high	27 Å²	27	54.8 Å²	54.8	18%	0.175	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	139	179.4	31.5	-36	0	0	0	111.6	P404 W405 Y408	P404-P410 HydrophobicContact CB-CB 4.06Å; P404-P410 HydrophobicContact CB-CG 3.86Å; W405-P410 HydrophobicContact CD2-CG 4.25Å; W405-P410 HydrophobicContact CG-CG 4.38Å; W405-P410 HydrophobicContact CZ2-CG 4.07Å; W405-P410 VanDerWaalsContact NE1-CG 3.34Å; Y408-P410 HydrophobicContact CE2-CB 3.91Å
411	V	98.8	Very high	98.5	Very high	4 Å²	4	52.4 Å²	52.4	2%	0.024	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	138.4	173.7	178	0	0	0	0	108.3	L388 K389 Q390 D391 L415 D417 L418 K421	L388-V411 HydrophobicContact CB-CG2 3.94Å; L388-V411 HydrophobicContact CD2-CG2 4.19Å; K389-V411 PolarHBondContact O-N 3.08Å; Q390-V411 CarbonylContact C-O 3.51Å; D391-V411 WeakPolarHBondContact CB-O 3.16Å; D391-V411 PolarHBondContact N-O 3.4Å; V411-L415 HydrophobicContact CG1-CD2 3.88Å; V411-D417 WeakPolarHBondContact CG1-OD1 3.29Å; V411-L418 HydrophobicContact CG1-CB 3.97Å; V411-L418 HydrophobicContact CG1-CD1 4.19Å; V411-L418 HydrophobicContact CG2-CD1 3.98Å; V411-K421 HydrophobicContact CG2-CB 4.44Å; V411-K421 HydrophobicContact CG2-CG 4.36Å
412	K	98.6	Very high	98.6	Very high	110 Å²	110	48.7 Å²	48.7	48%	0.478	25%	0.248	S	C	.	.			trans	-55.7	151.2	177.7	-76	170.8	-176.5	174.1	0	111.7	N414 L415 S416 D417	K412-N414 PolarHBondContact O-N 2.74Å; K412-N414 VanDerWaalsContact O-N 3.13Å; K412-L415 PolarHBondContact O-N 3Å; K412-S416 WeakPolarHBondContact CD-OG 3.48Å; K412-D417 WeakPolarHBondContact CB-OD1 3.23Å; K412-D417 HydrophobicContact CD-CB 4.16Å; K412-D417 WeakPolarHBondContact CG-OD2 3.45Å; K412-D417 PolarHBondContact N-OD1 3Å
413	S	97.6	Very high	98.5	Very high	61 Å²	61	54.4 Å²	54.4	43%	0.427	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-40.5	-179.4	59.8	0	0	0	0	112.9	E315 Q390 D391 L415	E315-S413 WeakPolarHBondContact CG-O 3.36Å; Q390-S413 PolarHBondContact NE2-O 3.08Å; D391-S413 VanDerWaalsContact O-CA 3.26Å; D391-S413 WeakPolarHBondContact O-CA 3.48Å; D391-S413 VanDerWaalsContact O-CB 3.26Å; D391-S413 WeakPolarHBondContact O-CB 3.5Å; S413-L415 PolarHBondContact O-N 2.96Å
414	N	97.1	Very high	98.5	Very high	95 Å²	95	52.9 Å²	52.9	51%	0.508	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	8.3	179.2	69.4	-1.5	0	0	0	115.1	K412 S416	K412-N414 PolarHBondContact O-N 2.74Å; K412-N414 VanDerWaalsContact O-N 3.13Å; N414-S416 PolarHBondContact O-N 2.88Å; N414-S416 VanDerWaalsContact O-N 3.13Å; N414-S416 WeakPolarHBondContact OD1-CB 3.48Å; N414-S416 PolarHBondContact OD1-N 2.83Å; N414-S416 PolarHBondContact OD1-OG 3.16Å
415	L	98.4	Very high	98.5	Very high	5 Å²	5	49.6 Å²	49.6	3%	0.026	24%	0.241	C	C	.	.			trans	61.6	12.2	-178	-45.5	179.8	0	0	0	116	E315 L319 L322 I368 Q390 V411 K412 S413 D417 L418	E315-L415 HydrophobicContact CB-CD1 4.25Å; E315-L415 HydrophobicContact CB-CG 4.35Å; E315-L415 WeakPolarHBondContact O-CD1 3.3Å; L319-L415 HydrophobicContact CB-CD1 3.91Å; L322-L415 HydrophobicContact CD1-CB 4.45Å; I368-L415 HydrophobicContact CD1-CD1 3.58Å; I368-L415 HydrophobicContact CD1-CD2 3.87Å; I368-L415 HydrophobicContact CD1-CG 4.35Å; I368-L415 HydrophobicContact CG1-CD2 4.43Å; Q390-L415 HydrophobicContact CG-CD2 4.21Å; V411-L415 HydrophobicContact CG1-CD2 3.88Å; K412-L415 PolarHBondContact O-N 3Å; S413-L415 PolarHBondContact O-N 2.96Å; L415-D417 PolarHBondContact O-N 3.15Å; L415-D417 VanDerWaalsContact O-N 3.11Å; L415-L418 HydrophobicContact CB-CB 4.25Å; L415-L418 VanDerWaalsContact O-CB 3.31Å; L415-L418 WeakPolarHBondContact O-CB 3.37Å; L415-L418 PolarHBondContact O-N 3.21Å
416	S	98.3	Very high	98.5	Very high	80 Å²	80	47.6 Å²	47.6	56%	0.559	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-22.6	-175.2	54.3	0	0	0	0	114.4	K412 N414	K412-S416 WeakPolarHBondContact CD-OG 3.48Å; N414-S416 PolarHBondContact O-N 2.88Å; N414-S416 VanDerWaalsContact O-N 3.13Å; N414-S416 WeakPolarHBondContact OD1-CB 3.48Å; N414-S416 PolarHBondContact OD1-N 2.83Å; N414-S416 PolarHBondContact OD1-OG 3.16Å
417	D	98.6	Very high	98.5	Very high	13 Å²	13	47.9 Å²	47.9	7%	0.07	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.4	6.2	177.2	65.6	-16.2	0	0	0	113.4	V411 K412 L415 L419 E420 K421	V411-D417 WeakPolarHBondContact CG1-OD1 3.29Å; K412-D417 WeakPolarHBondContact CB-OD1 3.23Å; K412-D417 HydrophobicContact CD-CB 4.16Å; K412-D417 WeakPolarHBondContact CG-OD2 3.45Å; K412-D417 PolarHBondContact N-OD1 3Å; L415-D417 PolarHBondContact O-N 3.15Å; L415-D417 VanDerWaalsContact O-N 3.11Å; D417-L419 VanDerWaalsContact C-N 3.33Å; D417-L419 PolarHBondContact O-N 3.34Å; D417-E420 WeakPolarHBondContact O-CB 2.98Å; D417-E420 PolarHBondContact O-N 2.01Å; D417-E420 VanDerWaalsContact O-N 3.09Å; D417-K421 WeakPolarHBondContact O-CG 3.27Å; D417-K421 PolarHBondContact O-N 3.11Å; D417-K421 VanDerWaalsContact OD2-CE 3.26Å; D417-K421 WeakPolarHBondContact OD2-CE 3.42Å
418	L	98.8	Very high	98.5	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-56.6	-44.8	-176	176.3	62.1	0	0	0	112.6	L319 L322 I330 I366 L388 V411 L415 E420 K421 L422	L319-L418 HydrophobicContact CD1-CD2 3.57Å; L322-L418 HydrophobicContact CD1-CD2 4.17Å; I330-L418 HydrophobicContact CD1-CD2 4.07Å; I366-L418 HydrophobicContact CD1-CD1 4.34Å; I366-L418 HydrophobicContact CD1-CD2 4.26Å; L388-L418 HydrophobicContact CD2-CD1 3.96Å; V411-L418 HydrophobicContact CG1-CB 3.97Å; V411-L418 HydrophobicContact CG1-CD1 4.19Å; V411-L418 HydrophobicContact CG2-CD1 3.98Å; L415-L418 HydrophobicContact CB-CB 4.25Å; L415-L418 VanDerWaalsContact O-CB 3.31Å; L415-L418 WeakPolarHBondContact O-CB 3.37Å; L415-L418 PolarHBondContact O-N 3.21Å; L418-E420 VanDerWaalsContact C-N 3.34Å; L418-E420 PolarHBondContact O-N 2.83Å; L418-K421 PolarHBondContact O-N 2.65Å; L418-L422 HydrophobicContact CD1-CD1 4.12Å; L418-L422 HydrophobicContact CD1-CG 4.22Å; L418-L422 HydrophobicContact CG-CD1 4.09Å; L418-L422 WeakPolarHBondContact O-CB 3.24Å; L418-L422 WeakPolarHBondContact O-CG 3.18Å; L418-L422 PolarHBondContact O-N 2.85Å
419	L	98.6	Very high	98.5	Very high	54 Å²	54	51.1 Å²	51.1	28%	0.283	26%	0.259	S	S	.	.	H	α-helix	trans	-65.6	-37.7	179.1	-62.6	179.7	0	0	0	112	L322 H326 L329 I330 D417 K423	L322-L419 HydrophobicContact CD2-CD1 4.3Å; H326-L419 HydrophobicContact CB-CD2 4.49Å; L329-L419 HydrophobicContact CD1-CD2 4.22Å; I330-L419 HydrophobicContact CD1-CD2 3.86Å; D417-L419 VanDerWaalsContact C-N 3.33Å; D417-L419 PolarHBondContact O-N 3.34Å; L419-K423 WeakPolarHBondContact O-CB 3.14Å; L419-K423 PolarHBondContact O-N 2.82Å
420	E	98.6	Very high	98.4	Very high	112 Å²	112	56 Å²	56	52%	0.523	28%	0.281	S	S	.	.	H	α-helix	trans	-63.3	-46.8	174.4	-178.1	-153.8	118.6	0	0	110.7	D417 L418 L422 K423 W424	D417-E420 WeakPolarHBondContact O-CB 2.98Å; D417-E420 PolarHBondContact O-N 2.01Å; D417-E420 VanDerWaalsContact O-N 3.09Å; L418-E420 VanDerWaalsContact C-N 3.34Å; L418-E420 PolarHBondContact O-N 2.83Å; E420-L422 PolarHBondContact O-N 3.16Å; E420-K423 PolarHBondContact O-N 2.83Å; E420-W424 PolarHBondContact O-N 3.38Å
421	K	98.7	Very high	98.4	Very high	29 Å²	29	58.6 Å²	58.6	13%	0.126	29%	0.291	C	S	.	.	H	α-helix	trans	-64.9	-38.4	179.1	-62.1	-57.4	173.3	-137.7	0	112.7	L388 W405 I409 V411 D417 L418 W424 A425	L388-K421 HydrophobicContact CD2-CB 4.17Å; W405-K421 HydrophobicContact CH2-CD 3.64Å; W405-K421 HydrophobicContact CZ2-CD 3.85Å; I409-K421 HydrophobicContact CG2-CB 3.98Å; I409-K421 HydrophobicContact CG2-CD 4.24Å; I409-K421 HydrophobicContact CG2-CG 4.33Å; V411-K421 HydrophobicContact CG2-CB 4.44Å; V411-K421 HydrophobicContact CG2-CG 4.36Å; D417-K421 WeakPolarHBondContact O-CG 3.27Å; D417-K421 PolarHBondContact O-N 3.11Å; D417-K421 VanDerWaalsContact OD2-CE 3.26Å; D417-K421 WeakPolarHBondContact OD2-CE 3.42Å; L418-K421 PolarHBondContact O-N 2.65Å; K421-W424 PolarHBondContact O-N 2.81Å; K421-A425 WeakPolarHBondContact O-CB 3.22Å; K421-A425 PolarHBondContact O-N 3.48Å
422	L	98.8	Very high	98.4	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-66.1	-41.6	174	-76	172.4	0	0	0	112.1	A305 I330 Y364 L388 L418 E420 A425 K426	A305-L422 HydrophobicContact CB-CD1 4.1Å; A305-L422 HydrophobicContact CB-CD2 3.52Å; A305-L422 HydrophobicContact CB-CG 4.48Å; I330-L422 HydrophobicContact CD1-CD1 3.81Å; I330-L422 HydrophobicContact CG1-CD1 3.54Å; Y364-L422 HydrophobicContact CG-CD2 4.25Å; L388-L422 HydrophobicContact CD1-CD2 3.94Å; L388-L422 HydrophobicContact CD2-CD2 3.53Å; L388-L422 HydrophobicContact CD2-CG 3.79Å; L388-L422 HydrophobicContact CG-CD2 4.41Å; L418-L422 HydrophobicContact CD1-CD1 4.12Å; L418-L422 HydrophobicContact CD1-CG 4.22Å; L418-L422 HydrophobicContact CG-CD1 4.09Å; L418-L422 WeakPolarHBondContact O-CB 3.24Å; L418-L422 WeakPolarHBondContact O-CG 3.18Å; L418-L422 PolarHBondContact O-N 2.85Å; E420-L422 PolarHBondContact O-N 3.16Å; L422-A425 PolarHBondContact O-N 2.92Å; L422-K426 WeakPolarHBondContact O-CG 3.36Å; L422-K426 PolarHBondContact O-N 3.04Å; L422-K426 VanDerWaalsContact O-N 3.11Å
423	K	98.4	Very high	98.4	Very high	133 Å²	133	56.5 Å²	56.5	58%	0.578	28%	0.282	S	S	*	.	H	α-helix	trans	-62.3	-47.5	174.5	-176	178.1	177.7	-175.4	0	110.9	L419 E420 A425 K426 D427	L419-K423 WeakPolarHBondContact O-CB 3.14Å; L419-K423 PolarHBondContact O-N 2.82Å; E420-K423 PolarHBondContact O-N 2.83Å; K423-A425 VanDerWaalsContact C-N 3.3Å; K423-A425 PolarHBondContact O-N 2.6Å; K423-K426 PolarHBondContact O-N 2.93Å; K423-K426 VanDerWaalsContact O-N 3.16Å; K423-D427 WeakPolarHBondContact CE-OD2 3.25Å; K423-D427 WeakPolarHBondContact CG-OD2 3.44Å; K423-D427 VanDerWaalsContact O-CG 3.29Å; K423-D427 PolarHBondContact O-N 2.92Å
424	W	98.7	Very high	98.5	Very high	68 Å²	68	60 Å²	60	26%	0.258	29%	0.29	S	S	.	.	H	α-helix	trans	-54.7	-46.5	175.7	178.1	89	0	0	0	111.7	W405 I409 E420 K421 K426 D427 H428 E431 I435	W405-W424 HydrophobicContact CE3-CH2 4.05Å; W405-W424 HydrophobicContact CE3-CZ2 4.4Å; W405-W424 HydrophobicContact CE3-CZ3 4.17Å; W405-W424 HydrophobicContact CH2-CD2 4.23Å; W405-W424 HydrophobicContact CH2-CE3 4.22Å; W405-W424 AromaticContact CZ3-CD2 3.86Å; W405-W424 HydrophobicContact CZ3-CD2 3.86Å; W405-W424 AromaticContact CZ3-CE3 3.57Å; W405-W424 HydrophobicContact CZ3-CE3 3.57Å; W405-W424 AromaticContact CZ3-CH2 3.75Å; W405-W424 HydrophobicContact CZ3-CH2 3.75Å; W405-W424 AromaticContact CZ3-CZ2 4Å; W405-W424 HydrophobicContact CZ3-CZ2 4Å; W405-W424 AromaticContact CZ3-CZ3 3.54Å; W405-W424 HydrophobicContact CZ3-CZ3 3.54Å; I409-W424 HydrophobicContact CD1-CE3 4.13Å; I409-W424 HydrophobicContact CD1-CZ3 3.83Å; I409-W424 HydrophobicContact CG1-CZ3 4.29Å; E420-W424 PolarHBondContact O-N 3.38Å; K421-W424 PolarHBondContact O-N 2.81Å; W424-K426 VanDerWaalsContact C-N 3.29Å; W424-K426 PolarHBondContact O-N 3.08Å; W424-D427 PolarHBondContact O-N 2.91Å; W424-H428 AromaticContact CD1-CE1 3.54Å; W424-H428 AromaticContact CD1-ND1 3.46Å; W424-H428 HydrophobicContact CD2-CB 4.47Å; W424-H428 AromaticContact CE2-CG 3.89Å; W424-H428 AromaticContact CE2-ND1 3.85Å; W424-H428 AromaticContact CG-ND1 3.85Å; W424-H428 HydrophobicContact CH2-CB 4.37Å; W424-H428 HydrophobicContact CZ2-CB 4.1Å; W424-H428 AromaticContact NE1-CE1 3.54Å; W424-H428 AromaticContact NE1-CG 3.78Å; W424-H428 AromaticContact NE1-ND1 3.45Å; W424-H428 PolarHBondContact NE1-ND1 3.2Å; W424-H428 AromaticContact NE1-NE2 3.88Å; W424-H428 WeakPolarHBondContact O-CB 3.38Å; W424-H428 PolarHBondContact O-N 3.24Å; W424-H428 PolarHBondContact O-ND1 3.14Å; W424-E431 HydrophobicContact CH2-CB 3.95Å; W424-E431 HydrophobicContact CZ2-CB 4.32Å; W424-I435 HydrophobicContact CH2-CD1 3.85Å; W424-I435 HydrophobicContact CZ3-CD1 4.09Å
425	A	98.6	Very high	98.6	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-65	-33.2	-178.1	0	0	0	0	0	112.7	Y364 I409 K421 L422 K423 H428 D429 A432	Y364-A425 HydrophobicContact CD1-CB 3.92Å; Y364-A425 HydrophobicContact CE1-CB 3.5Å; Y364-A425 VanDerWaalsContact CE1-CB 3.5Å; Y364-A425 PolarHBondContact OH-O 3.26Å; I409-A425 HydrophobicContact CD1-CB 3.7Å; K421-A425 WeakPolarHBondContact O-CB 3.22Å; K421-A425 PolarHBondContact O-N 3.48Å; L422-A425 PolarHBondContact O-N 2.92Å; K423-A425 VanDerWaalsContact C-N 3.3Å; K423-A425 PolarHBondContact O-N 2.6Å; A425-H428 CarbonylContact O-C 3.49Å; A425-D429 PolarHBondContact O-N 3.02Å; A425-A432 HydrophobicContact CB-CB 4.28Å
426	K	98.1	Very high	98.6	Very high	63 Å²	63	56.1 Å²	56.1	27%	0.274	27%	0.269	S	S	.	.	H	α-helix	trans	-71.4	-41.2	173.3	-72.1	180	176.7	-162.8	0	112.6	S303 L329 Y364 L422 K423 W424 H428	S303-K426 WeakPolarHBondContact O-CE 3.38Å; S303-K426 PolarHBondContact O-NZ 2.9Å; S303-K426 VanDerWaalsContact O-NZ 3.15Å; L329-K426 HydrophobicContact CD2-CD 4.4Å; Y364-K426 HydrophobicContact CE2-CG 3.86Å; Y364-K426 WeakPolarHBondContact OH-CA 3.21Å; Y364-K426 WeakPolarHBondContact OH-CG 2.97Å; L422-K426 WeakPolarHBondContact O-CG 3.36Å; L422-K426 PolarHBondContact O-N 3.04Å; L422-K426 VanDerWaalsContact O-N 3.11Å; K423-K426 PolarHBondContact O-N 2.93Å; K423-K426 VanDerWaalsContact O-N 3.16Å; W424-K426 VanDerWaalsContact C-N 3.29Å; W424-K426 PolarHBondContact O-N 3.08Å; K426-H428 PolarHBondContact O-N 2.88Å
427	D	98.4	Very high	98.6	Very high	107 Å²	107	58.1 Å²	58.1	57%	0.572	27%	0.268	S	S	*	.	H	α-helix	trans	-73.4	-19.8	-179.7	-65.3	-14.7	0	0	0	111.8	K423 W424	K423-D427 WeakPolarHBondContact CE-OD2 3.25Å; K423-D427 WeakPolarHBondContact CG-OD2 3.44Å; K423-D427 VanDerWaalsContact O-CG 3.29Å; K423-D427 PolarHBondContact O-N 2.92Å; W424-D427 PolarHBondContact O-N 2.91Å
428	H	98.6	Very high	98.6	Very high	73 Å²	73	58.6 Å²	58.6	34%	0.338	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.1	56.7	-178.9	-55.6	77.4	0	0	0	110.9	W424 A425 K426 E430 E431 A432	W424-H428 AromaticContact CD1-CE1 3.54Å; W424-H428 AromaticContact CD1-ND1 3.46Å; W424-H428 HydrophobicContact CD2-CB 4.47Å; W424-H428 AromaticContact CE2-CG 3.89Å; W424-H428 AromaticContact CE2-ND1 3.85Å; W424-H428 AromaticContact CG-ND1 3.85Å; W424-H428 HydrophobicContact CH2-CB 4.37Å; W424-H428 HydrophobicContact CZ2-CB 4.1Å; W424-H428 AromaticContact NE1-CE1 3.54Å; W424-H428 AromaticContact NE1-CG 3.78Å; W424-H428 AromaticContact NE1-ND1 3.45Å; W424-H428 PolarHBondContact NE1-ND1 3.2Å; W424-H428 AromaticContact NE1-NE2 3.88Å; W424-H428 WeakPolarHBondContact O-CB 3.38Å; W424-H428 PolarHBondContact O-N 3.24Å; W424-H428 PolarHBondContact O-ND1 3.14Å; A425-H428 CarbonylContact O-C 3.49Å; K426-H428 PolarHBondContact O-N 2.88Å; H428-E430 VanDerWaalsContact C-N 3.33Å; H428-E430 PolarHBondContact O-N 3.25Å; H428-E431 HydrophobicContact CB-CB 4.01Å; H428-E431 HydrophobicContact CB-CG 4.3Å; H428-E431 WeakPolarHBondContact CB-OE2 3.31Å; H428-E431 PolarHBondContact O-N 3.37Å; H428-A432 PolarHBondContact O-N 3.46Å
429	D	98.6	Very high	98.6	Very high	40 Å²	40	58.7 Å²	58.7	21%	0.214	28%	0.275	C	S	.	.	H	α-helix	trans	-59.8	-39.2	-170.9	-165.8	69.1	0	0	0	113.1	W298 K363 A425 A432 K433	W298-D429 PolarHBondContact NE1-OD1 3.46Å; W298-D429 PolarHBondContact NE1-OD2 3.14Å; K363-D429 WeakPolarHBondContact CD-OD1 3.15Å; K363-D429 IonicContact NZ-OD1 2.76Å; K363-D429 PolarHBondContact NZ-OD1 2.74Å; K363-D429 IonicContact NZ-OD2 2.88Å; K363-D429 PolarHBondContact NZ-OD2 2.62Å; A425-D429 PolarHBondContact O-N 3.02Å; D429-A432 PolarHBondContact O-N 3.29Å; D429-K433 WeakPolarHBondContact O-CB 3.39Å; D429-K433 PolarHBondContact O-N 2.84Å
430	E	98.5	Very high	98.6	Very high	101 Å²	101	57 Å²	57	47%	0.472	27%	0.265	S	S	.	.	H	α-helix	trans	-69.8	-38.6	178.2	-72	-58.7	143.4	0	0	112.2	H428 K433 K434	H428-E430 VanDerWaalsContact C-N 3.33Å; H428-E430 PolarHBondContact O-N 3.25Å; E430-K433 PolarHBondContact O-N 3.41Å; E430-K434 VanDerWaalsContact O-CG 3.31Å; E430-K434 WeakPolarHBondContact O-CG 3.47Å; E430-K434 PolarHBondContact O-N 2.94Å
431	E	98.8	Very high	98.6	Very high	82 Å²	82	55.8 Å²	55.8	38%	0.383	26%	0.259	S	S	.	.	H	α-helix	trans	-64.5	-43.9	172.4	-69.5	68.1	-157	0	0	110.8	W424 H428 K433 K434 I435	W424-E431 HydrophobicContact CH2-CB 3.95Å; W424-E431 HydrophobicContact CZ2-CB 4.32Å; H428-E431 HydrophobicContact CB-CB 4.01Å; H428-E431 HydrophobicContact CB-CG 4.3Å; H428-E431 WeakPolarHBondContact CB-OE2 3.31Å; H428-E431 PolarHBondContact O-N 3.37Å; E431-K433 VanDerWaalsContact C-N 3.31Å; E431-K433 PolarHBondContact O-N 2.75Å; E431-K434 WeakPolarHBondContact O-CB 3.25Å; E431-K434 PolarHBondContact O-N 2.92Å; E431-I435 WeakPolarHBondContact O-CG1 3.48Å; E431-I435 PolarHBondContact O-N 3.44Å
432	A	98.8	Very high	98.7	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-60.4	-41.6	175.7	0	0	0	0	0	111.6	W298 V386 A425 H428 D429 I435 A436	W298-A432 HydrophobicContact CH2-CB 4.28Å; W298-A432 HydrophobicContact CZ2-CB 4.18Å; V386-A432 HydrophobicContact CG1-CB 4.36Å; A425-A432 HydrophobicContact CB-CB 4.28Å; H428-A432 PolarHBondContact O-N 3.46Å; D429-A432 PolarHBondContact O-N 3.29Å; A432-I435 PolarHBondContact O-N 2.79Å; A432-A436 PolarHBondContact O-N 3.19Å
433	K	98.7	Very high	98.6	Very high	70 Å²	70	55.5 Å²	55.5	30%	0.304	26%	0.258	S	S	.	.	H	α-helix	trans	-62.1	-42	174	-171.3	-178.6	-177.4	178	0	112.3	W298 E299 D429 E430 E431 A436 K437	W298-K433 HydrophobicContact CB-CD 4.27Å; W298-K433 HydrophobicContact CD2-CB 3.97Å; W298-K433 HydrophobicContact CD2-CD 4.18Å; W298-K433 HydrophobicContact CD2-CG 3.78Å; W298-K433 HydrophobicContact CE3-CB 4.42Å; W298-K433 HydrophobicContact CE3-CG 4.2Å; W298-K433 HydrophobicContact CG-CB 4.42Å; W298-K433 HydrophobicContact CG-CD 3.78Å; W298-K433 HydrophobicContact CG-CG 3.91Å; W298-K433 HydrophobicContact CH2-CB 4.3Å; W298-K433 HydrophobicContact CZ2-CB 3.83Å; E299-K433 IonicContact OE1-NZ 3.01Å; E299-K433 PolarHBondContact OE1-NZ 3.29Å; D429-K433 WeakPolarHBondContact O-CB 3.39Å; D429-K433 PolarHBondContact O-N 2.84Å; E430-K433 PolarHBondContact O-N 3.41Å; E431-K433 VanDerWaalsContact C-N 3.31Å; E431-K433 PolarHBondContact O-N 2.75Å; K433-A436 WeakPolarHBondContact O-CB 3.23Å; K433-A436 PolarHBondContact O-N 3.45Å; K433-K437 PolarHBondContact O-N 2.76Å
434	K	98.8	Very high	98.6	Very high	136 Å²	136	50.1 Å²	50.1	59%	0.591	23%	0.234	S	C	*	.	H	α-helix	trans	-62.6	-41.8	174.9	-73.5	168.5	-173.1	166.6	0	111.7	E430 E431 K437 A438	E430-K434 VanDerWaalsContact O-CG 3.31Å; E430-K434 WeakPolarHBondContact O-CG 3.47Å; E430-K434 PolarHBondContact O-N 2.94Å; E431-K434 WeakPolarHBondContact O-CB 3.25Å; E431-K434 PolarHBondContact O-N 2.92Å; K434-K437 PolarHBondContact O-N 3.17Å; K434-A438 WeakPolarHBondContact O-CB 3.44Å; K434-A438 PolarHBondContact O-N 3Å
435	I	98.9	Very high	98.6	Very high	12 Å²	12	52.3 Å²	52.3	6%	0.062	25%	0.251	C	S	.	.	H	α-helix	trans	-62.9	-45.7	175.5	-66.1	169.9	0	0	0	110.5	V386 W405 I409 W424 E431 A432 K437 A438 G439	V386-I435 HydrophobicContact CG2-CB 4.17Å; V386-I435 HydrophobicContact CG2-CG2 3.83Å; W405-I435 HydrophobicContact CE3-CD1 4.19Å; W405-I435 WeakPolarHBondContact O-CG1 3.42Å; I409-I435 HydrophobicContact CG1-CD1 4.11Å; I409-I435 HydrophobicContact CG1-CG2 4.45Å; W424-I435 HydrophobicContact CH2-CD1 3.85Å; W424-I435 HydrophobicContact CZ3-CD1 4.09Å; E431-I435 WeakPolarHBondContact O-CG1 3.48Å; E431-I435 PolarHBondContact O-N 3.44Å; A432-I435 PolarHBondContact O-N 2.79Å; I435-K437 VanDerWaalsContact C-N 3.34Å; I435-K437 PolarHBondContact O-N 2.86Å; I435-A438 PolarHBondContact O-N 3.44Å; I435-G439 PolarHBondContact O-N 2.96Å
436	A	98.8	Very high	98.5	Very high	5 Å²	5	56 Å²	56	4%	0.041	27%	0.271	C	S	.	.	H	α-helix	trans	-55.9	-49.1	175.8	0	0	0	0	0	111.4	W298 V386 A432 K433 A438 G439 Q440	W298-A436 HydrophobicContact CZ3-CB 4Å; V386-A436 HydrophobicContact CB-CB 3.97Å; A432-A436 PolarHBondContact O-N 3.19Å; K433-A436 WeakPolarHBondContact O-CB 3.23Å; K433-A436 PolarHBondContact O-N 3.45Å; A436-A438 PolarHBondContact O-N 2.85Å; A436-G439 PolarHBondContact O-N 3.24Å; A436-Q440 WeakPolarHBondContact O-CB 3.35Å; A436-Q440 PolarHBondContact O-N 2.79Å
437	K	98.6	Very high	98.6	Very high	123 Å²	123	53 Å²	53	54%	0.535	26%	0.258	S	S	.	.	H	α-helix	trans	-62.2	-42.1	179	-176.1	171.5	177.1	176.5	0	112.6	K433 K434 I435 Q440 E441	K433-K437 PolarHBondContact O-N 2.76Å; K434-K437 PolarHBondContact O-N 3.17Å; I435-K437 VanDerWaalsContact C-N 3.34Å; I435-K437 PolarHBondContact O-N 2.86Å; K437-Q440 WeakPolarHBondContact O-CB 3.5Å; K437-Q440 PolarHBondContact O-N 3.41Å; K437-E441 WeakPolarHBondContact CE-OE1 3.34Å; K437-E441 WeakPolarHBondContact O-CG 3.2Å; K437-E441 PolarHBondContact O-N 2.98Å
438	A	98.9	Very high	98.5	Very high	23 Å²	23	48 Å²	48	19%	0.19	23%	0.231	C	C	.	.	H	α-helix	trans	-68.1	-36.9	178.1	0	0	0	0	0	112.4	K406 K434 I435 A436 F442	K406-A438 HydrophobicContact CG-CB 4.49Å; K406-A438 WeakPolarHBondContact O-CB 3.39Å; K434-A438 WeakPolarHBondContact O-CB 3.44Å; K434-A438 PolarHBondContact O-N 3Å; I435-A438 PolarHBondContact O-N 3.44Å; A436-A438 PolarHBondContact O-N 2.85Å; A438-F442 PolarHBondContact O-N 2.87Å
439	G	98.8	Very high	98.5	Very high	2 Å²	2	45 Å²	45	2%	0.021	22%	0.22	C	C	.	.	H	α-helix	trans	-63.5	-40.5	170.8	0	0	0	0	0	112.7	H407 I435 A436 F442 A443	H407-G439 WeakPolarHBondContact O-CA 3.38Å; I435-G439 PolarHBondContact O-N 2.96Å; A436-G439 PolarHBondContact O-N 3.24Å; G439-F442 WeakPolarHBondContact O-CB 3.4Å; G439-F442 PolarHBondContact O-N 2.91Å; G439-A443 PolarHBondContact O-N 3.44Å; G439-A443 VanDerWaalsContact O-N 3.08Å
440	Q	98.7	Very high	98.4	Very high	17 Å²	17	44.1 Å²	44.1	8%	0.079	22%	0.215	C	C	.	.	H	α-helix	trans	-61.3	-48.4	174.1	-174.8	178.4	60.6	0	0	112.7	L381 V382 G383 A436 K437 F442 A443 R444	L381-Q440 WeakPolarHBondContact O-CA 3.42Å; L381-Q440 PolarHBondContact O-N 2.82Å; V382-Q440 PolarHBondContact O-NE2 3.02Å; G383-Q440 VanDerWaalsContact C-NE2 3.31Å; G383-Q440 VanDerWaalsContact O-CB 3.28Å; G383-Q440 WeakPolarHBondContact O-CB 3.47Å; G383-Q440 WeakPolarHBondContact O-CG 3.47Å; G383-Q440 PolarHBondContact O-NE2 3.2Å; A436-Q440 WeakPolarHBondContact O-CB 3.35Å; A436-Q440 PolarHBondContact O-N 2.79Å; K437-Q440 WeakPolarHBondContact O-CB 3.5Å; K437-Q440 PolarHBondContact O-N 3.41Å; Q440-F442 VanDerWaalsContact C-N 3.32Å; Q440-F442 PolarHBondContact O-N 3.29Å; Q440-A443 PolarHBondContact O-N 2.88Å; Q440-R444 HydrophobicContact CG-CG 4.41Å; Q440-R444 WeakPolarHBondContact O-CB 3.37Å; Q440-R444 VanDerWaalsContact O-CG 3.28Å; Q440-R444 WeakPolarHBondContact O-CG 3.29Å; Q440-R444 PolarHBondContact O-N 2.8Å
441	E	98.6	Very high	98.4	Very high	87 Å²	87	41.1 Å²	41.1	41%	0.407	20%	0.202	S	C	.	.	H	α-helix	trans	-62.6	-39.4	177.5	-74.1	172.2	-176.9	0	0	111.5	K437 R444 N445	K437-E441 WeakPolarHBondContact CE-OE1 3.34Å; K437-E441 WeakPolarHBondContact O-CG 3.2Å; K437-E441 PolarHBondContact O-N 2.98Å; E441-R444 PolarHBondContact O-N 2.8Å; E441-N445 WeakPolarHBondContact O-CB 3.45Å; E441-N445 PolarHBondContact O-N 3.14Å; E441-N445 VanDerWaalsContact O-N 3.17Å; E441-N445 PolarHBondContact O-ND2 2.95Å
442	F	98.8	Very high	98.4	Very high	23 Å²	23	37.3 Å²	37.3	10%	0.101	19%	0.185	C	C	.	.	H	α-helix	trans	-57	-52.5	172.8	176.6	-85	0	0	0	111.2	F398 E401 L402 H407 A438 G439 Q440 R444 N445 N446	F398-F442 HydrophobicContact CB-CE1 4.36Å; F398-F442 HydrophobicContact CB-CZ 4.39Å; F398-F442 AromaticContact CD2-CE1 3.74Å; F398-F442 HydrophobicContact CD2-CE1 3.74Å; F398-F442 HydrophobicContact CD2-CZ 4.37Å; F398-F442 HydrophobicContact CG-CE1 4.45Å; E401-F442 HydrophobicContact CB-CE2 3.76Å; E401-F442 HydrophobicContact CB-CZ 3.89Å; L402-F442 HydrophobicContact CD2-CD1 3.45Å; L402-F442 VanDerWaalsContact CD2-CD1 3.45Å; L402-F442 HydrophobicContact CD2-CD2 4.36Å; L402-F442 HydrophobicContact CD2-CE1 3.46Å; L402-F442 VanDerWaalsContact CD2-CE1 3.46Å; L402-F442 HydrophobicContact CD2-CE2 4.34Å; L402-F442 HydrophobicContact CD2-CG 3.94Å; L402-F442 HydrophobicContact CD2-CZ 3.92Å; L402-F442 HydrophobicContact CG-CE1 4.36Å; H407-F442 AromaticContact CE1-CD2 3.77Å; A438-F442 PolarHBondContact O-N 2.87Å; G439-F442 WeakPolarHBondContact O-CB 3.4Å; G439-F442 PolarHBondContact O-N 2.91Å; Q440-F442 VanDerWaalsContact C-N 3.32Å; Q440-F442 PolarHBondContact O-N 3.29Å; F442-R444 PolarHBondContact O-N 3.14Å; F442-N445 PolarHBondContact O-N 3.32Å; F442-N446 HydrophobicContact CE1-CB 4.4Å; F442-N446 HydrophobicContact CZ-CB 4.33Å; F442-N446 WeakPolarHBondContact O-CB 3.13Å; F442-N446 PolarHBondContact O-N 3.06Å; F442-N446 PolarHBondContact O-ND2 3.12Å
443	A	98.6	Very high	98.4	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-65.4	-38.9	-177.9	0	0	0	0	0	112.7	M287 L381 V382 G439 Q440 N445 N446 L447	M287-A443 HydrophobicContact CE-CB 4.16Å; L381-A443 HydrophobicContact CB-CB 3.89Å; V382-A443 HydrophobicContact CB-CB 3.74Å; V382-A443 HydrophobicContact CG2-CB 3.99Å; G439-A443 PolarHBondContact O-N 3.44Å; G439-A443 VanDerWaalsContact O-N 3.08Å; Q440-A443 PolarHBondContact O-N 2.88Å; A443-N445 PolarHBondContact O-N 3.44Å; A443-N446 PolarHBondContact O-N 2.97Å; A443-L447 HydrophobicContact CB-CD1 3.99Å; A443-L447 WeakPolarHBondContact O-CB 3.41Å; A443-L447 PolarHBondContact O-N 2.83Å; A443-L447 VanDerWaalsContact O-N 3.11Å
444	R	98.1	Very high	98.4	Very high	21 Å²	21	34.1 Å²	34.1	8%	0.079	17%	0.171	C	C	.	.	H	α-helix	trans	-62.2	-25.7	176.5	-76.9	178.4	167.4	157.4	-0.7	113.8	R92 D94 V382 Q440 E441 F442 M448	R92-R444 VanDerWaalsContact CZ-CZ 3.4Å; R92-R444 VanDerWaalsContact NE-NH2 3.16Å; D94-R444 IonicContact OD2-CZ 2.71Å; D94-R444 IonicContact OD2-NH1 3.83Å; D94-R444 PolarHBondContact OD2-NH1 3.4Å; D94-R444 IonicContact OD2-NH2 2.7Å; V382-R444 HydrophobicContact CG2-CG 3.87Å; Q440-R444 HydrophobicContact CG-CG 4.41Å; Q440-R444 WeakPolarHBondContact O-CB 3.37Å; Q440-R444 VanDerWaalsContact O-CG 3.28Å; Q440-R444 WeakPolarHBondContact O-CG 3.29Å; Q440-R444 PolarHBondContact O-N 2.8Å; E441-R444 PolarHBondContact O-N 2.8Å; F442-R444 PolarHBondContact O-N 3.14Å; R444-M448 WeakPolarHBondContact O-CG 3.42Å
445	N	97.4	Very high	98.4	Very high	114 Å²	114	28.2 Å²	28.2	61%	0.61	15%	0.145	S	C	*	.	H	α-helix	trans	-105.5	-5.5	-174	-66.4	-25.4	0	0	0	114	E441 F442 A443	E441-N445 WeakPolarHBondContact O-CB 3.45Å; E441-N445 PolarHBondContact O-N 3.14Å; E441-N445 VanDerWaalsContact O-N 3.17Å; E441-N445 PolarHBondContact O-ND2 2.95Å; F442-N445 PolarHBondContact O-N 3.32Å; A443-N445 PolarHBondContact O-N 3.44Å
446	N	98.1	Very high	98.4	Very high	78 Å²	78	27.6 Å²	27.6	42%	0.417	14%	0.142	S	C	.	.	H	α-helix	trans	-139.9	-5.4	-171.6	-60.9	-90.2	0	0	0	114.5	F442 A443 D451	F442-N446 HydrophobicContact CE1-CB 4.4Å; F442-N446 HydrophobicContact CZ-CB 4.33Å; F442-N446 WeakPolarHBondContact O-CB 3.13Å; F442-N446 PolarHBondContact O-N 3.06Å; F442-N446 PolarHBondContact O-ND2 3.12Å; A443-N446 PolarHBondContact O-N 2.97Å; N446-D451 VanDerWaalsContact C-CG 3.43Å; N446-D451 WeakPolarHBondContact CA-OD2 2.95Å; N446-D451 PolarHBondContact N-OD2 2.79Å; N446-D451 WeakPolarHBondContact O-CB 3.49Å
447	L	98.3	Very high	98.4	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.14	C	C	.	.	S	Bend	trans	-132.8	17.4	-172.4	-58.4	176.4	0	0	0	112.9	M287 P378 F398 A443 D451	M287-L447 HydrophobicContact CE-CB 3.69Å; M287-L447 HydrophobicContact CE-CD1 4.32Å; M287-L447 WeakPolarHBondContact CG-O 3.44Å; P378-L447 HydrophobicContact CB-CD1 3.96Å; F398-L447 HydrophobicContact CB-CD2 3.81Å; F398-L447 HydrophobicContact CD1-CD1 4.3Å; F398-L447 HydrophobicContact CD1-CD2 3.74Å; F398-L447 HydrophobicContact CD2-CD1 4.05Å; F398-L447 HydrophobicContact CD2-CD2 4.39Å; F398-L447 HydrophobicContact CE1-CD1 4.3Å; F398-L447 HydrophobicContact CE1-CD2 4.39Å; F398-L447 HydrophobicContact CE2-CD1 4Å; F398-L447 HydrophobicContact CG-CD1 4.17Å; F398-L447 HydrophobicContact CG-CD2 3.73Å; F398-L447 HydrophobicContact CZ-CD1 4.13Å; A443-L447 HydrophobicContact CB-CD1 3.99Å; A443-L447 WeakPolarHBondContact O-CB 3.41Å; A443-L447 PolarHBondContact O-N 2.83Å; A443-L447 VanDerWaalsContact O-N 3.11Å; L447-D451 PolarHBondContact N-OD2 3.09Å
448	M	97.9	Very high	98.4	Very high	2 Å²	2	22.7 Å²	22.7	1%	0.01	12%	0.12	C	C	.	.	S	Bend	trans	-78.3	171.4	174.5	-59.5	-60.5	-63	0	0	110.8	Y49 M287 M288 R444 D450 D451 I452	Y49-M448 HydrophobicContact CD2-CE 4.46Å; Y49-M448 HydrophobicContact CE2-CE 4.01Å; Y49-M448 VanDerWaalsContact OH-CB 3.3Å; Y49-M448 WeakPolarHBondContact OH-CB 3.41Å; M287-M448 HydrophobicContact CB-SD 4.23Å; M288-M448 HydrophobicContact CG-CE 3.55Å; M288-M448 HydrophobicContact SD-CE 4.46Å; R444-M448 WeakPolarHBondContact O-CG 3.42Å; M448-D450 WeakPolarHBondContact CB-OD1 3.45Å; M448-D450 PolarHBondContact O-N 3.08Å; M448-D451 WeakPolarHBondContact CB-OD2 3.34Å; M448-D451 PolarHBondContact N-OD2 3.27Å; M448-D451 WeakPolarHBondContact O-CB 3.36Å; M448-D451 PolarHBondContact O-N 3.03Å; M448-I452 WeakPolarHBondContact O-CG1 3.49Å; M448-I452 PolarHBondContact O-N 3.43Å; M448-I452 VanDerWaalsContact O-N 3.09Å
449	G	97.1	Very high	98.4	Very high	10 Å²	10	21.6 Å²	21.6	10%	0.103	11%	0.111	C	C	.	.	H	α-helix	trans	-58.4	-43.8	-171.5	0	0	0	0	0	114.1	I452 F453	G449-I452 PolarHBondContact O-N 3.1Å; G449-F453 VanDerWaalsContact O-CD2 3.27Å; G449-F453 WeakPolarHBondContact O-CD2 3.29Å; G449-F453 PolarHBondContact O-N 3.05Å; G449-F453 VanDerWaalsContact O-N 3.09Å
450	D	97.5	Very high	98.4	Very high	20 Å²	20	21.5 Å²	21.5	11%	0.107	11%	0.11	C	C	.	.	H	α-helix	trans	-58.8	-42.6	171.2	47.3	-26.7	0	0	0	113	L45 Y49 M151 M448 I452 F453 C454	L45-D450 HydrophobicContact CD1-CB 4.29Å; L45-D450 HydrophobicContact CD2-CB 4.49Å; Y49-D450 PolarHBondContact OH-OD1 3.03Å; Y49-D450 PolarHBondContact OH-OD2 2.81Å; M151-D450 HydrophobicContact CE-CB 3.85Å; M448-D450 WeakPolarHBondContact CB-OD1 3.45Å; M448-D450 PolarHBondContact O-N 3.08Å; D450-I452 VanDerWaalsContact C-N 3.3Å; D450-I452 PolarHBondContact O-N 3.01Å; D450-F453 PolarHBondContact O-N 3.2Å; D450-C454 WeakPolarHBondContact O-CB 3.35Å; D450-C454 PolarHBondContact O-N 3.18Å; D450-C454 PolarHBondContact O-SG 3.28Å
451	D	98.4	Very high	98.4	Very high	39 Å²	39	22.7 Å²	22.7	21%	0.209	12%	0.115	C	C	.	.	H	α-helix	trans	-59.3	-42.1	175.8	-58.7	-52	0	0	0	111.7	N446 L447 M448 C454 Y455	N446-D451 VanDerWaalsContact C-CG 3.43Å; N446-D451 WeakPolarHBondContact CA-OD2 2.95Å; N446-D451 PolarHBondContact N-OD2 2.79Å; N446-D451 WeakPolarHBondContact O-CB 3.49Å; L447-D451 PolarHBondContact N-OD2 3.09Å; M448-D451 WeakPolarHBondContact CB-OD2 3.34Å; M448-D451 PolarHBondContact N-OD2 3.27Å; M448-D451 WeakPolarHBondContact O-CB 3.36Å; M448-D451 PolarHBondContact O-N 3.03Å; D451-C454 PolarHBondContact O-N 3.14Å; D451-Y455 WeakPolarHBondContact O-CB 3.23Å; D451-Y455 PolarHBondContact O-N 3.12Å
452	I	98.6	Very high	98.4	Very high	2 Å²	2	21 Å²	21	1%	0.01	11%	0.107	C	C	.	.	H	α-helix	trans	-65.6	-44	178.1	-59.1	-48.8	0	0	0	111.3	P268 L272 V276 M448 G449 D450 Y455 Y456	P268-I452 HydrophobicContact CB-CD1 4.28Å; P268-I452 HydrophobicContact CB-CG2 4.11Å; P268-I452 HydrophobicContact CG-CD1 4.33Å; P268-I452 HydrophobicContact CG-CG2 4.19Å; L272-I452 HydrophobicContact CD2-CD1 3.6Å; L272-I452 HydrophobicContact CD2-CG1 4.36Å; L272-I452 HydrophobicContact CG-CD1 4.1Å; L272-I452 HydrophobicContact CG-CG1 4.34Å; V276-I452 HydrophobicContact CG2-CB 4.25Å; V276-I452 HydrophobicContact CG2-CG1 3.94Å; M448-I452 WeakPolarHBondContact O-CG1 3.49Å; M448-I452 PolarHBondContact O-N 3.43Å; M448-I452 VanDerWaalsContact O-N 3.09Å; G449-I452 PolarHBondContact O-N 3.1Å; D450-I452 VanDerWaalsContact C-N 3.3Å; D450-I452 PolarHBondContact O-N 3.01Å; I452-Y455 PolarHBondContact O-N 3.4Å; I452-Y456 HydrophobicContact CG2-CD2 3.96Å; I452-Y456 HydrophobicContact CG2-CE2 3.89Å; I452-Y456 VanDerWaalsContact O-CD2 3.3Å; I452-Y456 WeakPolarHBondContact O-CD2 3.42Å; I452-Y456 PolarHBondContact O-N 2.94Å; I452-Y456 VanDerWaalsContact O-N 3.12Å
453	F	98.6	Very high	98.4	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-63	-42.4	174.5	-87.3	-80.4	0	0	0	112	L45 P46 W147 M151 I217 S220 L221 K224 V276 L277 G449 D450 Y456 F457	L45-F453 HydrophobicContact CD2-CD2 3.57Å; L45-F453 HydrophobicContact CD2-CE2 3.97Å; L45-F453 HydrophobicContact CD2-CG 4.39Å; P46-F453 HydrophobicContact CG-CE2 3.91Å; P46-F453 HydrophobicContact CG-CZ 4.01Å; W147-F453 HydrophobicContact CH2-CB 4.27Å; M151-F453 HydrophobicContact CE-CB 4.29Å; I217-F453 HydrophobicContact CD1-CD1 4.08Å; I217-F453 HydrophobicContact CD1-CE1 3.67Å; I217-F453 HydrophobicContact CD1-CZ 3.98Å; S220-F453 WeakPolarHBondContact OG-CE1 3.43Å; S220-F453 VanDerWaalsContact OG-CZ 3.29Å; S220-F453 WeakPolarHBondContact OG-CZ 3.35Å; L221-F453 HydrophobicContact CD2-CD1 3.72Å; L221-F453 HydrophobicContact CD2-CE1 4.32Å; L221-F453 HydrophobicContact CG-CD1 4.16Å; L221-F453 HydrophobicContact CG-CE1 4.34Å; K224-F453 HydrophobicContact CD-CD1 4.35Å; K224-F453 HydrophobicContact CD-CE1 3.94Å; K224-F453 HydrophobicContact CD-CZ 4.46Å; V276-F453 HydrophobicContact CG1-CD2 4.23Å; V276-F453 HydrophobicContact CG1-CE2 3.87Å; L277-F453 HydrophobicContact CD2-CE2 4.45Å; L277-F453 HydrophobicContact CD2-CZ 3.81Å; G449-F453 VanDerWaalsContact O-CD2 3.27Å; G449-F453 WeakPolarHBondContact O-CD2 3.29Å; G449-F453 PolarHBondContact O-N 3.05Å; G449-F453 VanDerWaalsContact O-N 3.09Å; D450-F453 PolarHBondContact O-N 3.2Å; F453-Y456 PolarHBondContact O-N 3.32Å; F453-F457 WeakPolarHBondContact O-CB 3.43Å; F453-F457 PolarHBondContact O-N 3.36Å
454	C	98.6	Very high	98.4	Very high	3 Å²	3	20.5 Å²	20.5	2%	0.02	11%	0.108	C	C	.	.	H	α-helix	trans	-61.5	-43.5	176	-73.1	0	0	0	0	111.8	C153 D450 D451 F457 K458	C153-C454 WeakPolarHBondContact CA-SG 3.22Å; C153-C454 HydrophobicContact CB-CB 3.66Å; C153-C454 WeakPolarHBondContact CB-SG 3.26Å; C153-C454 VanDerWaalsContact SG-CA 3.52Å; C153-C454 WeakPolarHBondContact SG-CB 3.41Å; C153-C454 CovalentContact SG-SG 2.03Å; C153-C454 PolarHBondContact SG-SG 3.02Å; D450-C454 WeakPolarHBondContact O-CB 3.35Å; D450-C454 PolarHBondContact O-N 3.18Å; D450-C454 PolarHBondContact O-SG 3.28Å; D451-C454 PolarHBondContact O-N 3.14Å; C454-F457 PolarHBondContact O-N 2.63Å; C454-K458 VanDerWaalsContact O-CB 3.28Å; C454-K458 WeakPolarHBondContact O-CB 3.49Å; C454-K458 WeakPolarHBondContact O-CG 3.48Å; C454-K458 PolarHBondContact O-N 3.24Å
455	Y	98.9	Very high	98.4	Very high	11 Å²	11	25.2 Å²	25.2	4%	0.043	13%	0.134	C	C	.	.	H	α-helix	trans	-59.6	-51	177.5	-167.4	-72.6	0	0	0	111.4	I157 Q159 I160 V266 P268 H397 D451 I452 K458 L459	I157-Y455 HydrophobicContact CD1-CD2 4.04Å; I157-Y455 HydrophobicContact CD1-CG 4.33Å; I157-Y455 HydrophobicContact CG2-CD2 3.78Å; I157-Y455 HydrophobicContact CG2-CE2 3.61Å; Q159-Y455 HydrophobicContact CB-CE2 4.26Å; Q159-Y455 VanDerWaalsContact CG-OH 3.24Å; Q159-Y455 WeakPolarHBondContact CG-OH 3.43Å; I160-Y455 HydrophobicContact CD1-CD1 4.12Å; I160-Y455 HydrophobicContact CD1-CD2 4.32Å; I160-Y455 HydrophobicContact CD1-CE1 4.03Å; I160-Y455 HydrophobicContact CD1-CE2 4.23Å; I160-Y455 HydrophobicContact CD1-CG 4.27Å; I160-Y455 HydrophobicContact CG1-CD1 4.44Å; I160-Y455 HydrophobicContact CG1-CD2 4.5Å; I160-Y455 HydrophobicContact CG1-CE1 3.85Å; I160-Y455 HydrophobicContact CG1-CE2 3.92Å; V266-Y455 WeakPolarHBondContact O-CE1 3.01Å; V266-Y455 PolarHBondContact O-OH 2.94Å; P268-Y455 VanDerWaalsContact CD-CD1 3.46Å; P268-Y455 HydrophobicContact CG-CD1 3.86Å; P268-Y455 HydrophobicContact CG-CG 4.1Å; H397-Y455 HydrophobicContact CB-CE1 4.25Å; H397-Y455 HydrophobicContact CB-CE2 3.82Å; H397-Y455 AromaticContact CD2-CD2 3.71Å; H397-Y455 AromaticContact CD2-CE2 3.73Å; D451-Y455 WeakPolarHBondContact O-CB 3.23Å; D451-Y455 PolarHBondContact O-N 3.12Å; I452-Y455 PolarHBondContact O-N 3.4Å; Y455-K458 PolarHBondContact O-N 3.07Å; Y455-L459 HydrophobicContact CD1-CB 4.49Å; Y455-L459 HydrophobicContact CE1-CB 4.46Å; Y455-L459 HydrophobicContact CE1-CD2 4.24Å; Y455-L459 VanDerWaalsContact O-CB 3.26Å; Y455-L459 WeakPolarHBondContact O-CB 3.28Å; Y455-L459 PolarHBondContact O-N 2.68Å
456	Y	98.8	Very high	98.4	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-61.2	-48.7	179.3	-85.8	-68.8	0	0	0	112.3	I217 W256 M267 P268 T273 I452 F453 K458 L459 F460	I217-Y456 HydrophobicContact CD1-CD2 4.12Å; I217-Y456 HydrophobicContact CD1-CE2 4.43Å; I217-Y456 HydrophobicContact CG1-CD1 4.43Å; I217-Y456 HydrophobicContact CG1-CD2 3.61Å; I217-Y456 HydrophobicContact CG1-CE2 3.77Å; I217-Y456 HydrophobicContact CG1-CG 3.96Å; I217-Y456 HydrophobicContact CG2-CE1 4.22Å; I217-Y456 HydrophobicContact CG2-CE2 4.46Å; W256-Y456 WeakPolarHBondContact CZ3-OH 3.32Å; M267-Y456 HydrophobicContact CB-CE1 4.01Å; M267-Y456 HydrophobicContact SD-CE1 4.16Å; P268-Y456 HydrophobicContact CB-CE2 3.81Å; P268-Y456 HydrophobicContact CG-CD2 4.09Å; P268-Y456 HydrophobicContact CG-CE2 3.71Å; P268-Y456 PolarHBondContact O-OH 2.78Å; T273-Y456 HydrophobicContact CG2-CE2 3.92Å; T273-Y456 WeakPolarHBondContact OG1-CE2 3.44Å; T273-Y456 PolarHBondContact OG1-OH 2.98Å; I452-Y456 HydrophobicContact CG2-CD2 3.96Å; I452-Y456 HydrophobicContact CG2-CE2 3.89Å; I452-Y456 VanDerWaalsContact O-CD2 3.3Å; I452-Y456 WeakPolarHBondContact O-CD2 3.42Å; I452-Y456 PolarHBondContact O-N 2.94Å; I452-Y456 VanDerWaalsContact O-N 3.12Å; F453-Y456 PolarHBondContact O-N 3.32Å; Y456-K458 PolarHBondContact O-N 3.42Å; Y456-L459 PolarHBondContact O-N 2.96Å; Y456-F460 AromaticContact CD1-CE2 3.71Å; Y456-F460 HydrophobicContact CD1-CE2 3.71Å; Y456-F460 AromaticContact CD1-CZ 3.69Å; Y456-F460 HydrophobicContact CD1-CZ 3.69Å; Y456-F460 HydrophobicContact CE1-CZ 4.34Å; Y456-F460 HydrophobicContact CG-CE2 4.27Å; Y456-F460 WeakPolarHBondContact O-CD2 3.37Å; Y456-F460 VanDerWaalsContact O-CG 3.29Å; Y456-F460 WeakPolarHBondContact O-CG 3.26Å; Y456-F460 PolarHBondContact O-N 3.22Å
457	F	98.7	Very high	98.4	Very high	1 Å²	1	19.2 Å²	19.2	0%	0.004	10%	0.101	C	C	.	.	H	α-helix	trans	-60.7	-47	-178.9	-173.7	-85.7	0	0	0	111.4	S144 W147 L148 L221 V225 M227 F453 C454 L459 F460 Q461	S144-F457 VanDerWaalsContact CB-CZ 3.43Å; W147-F457 HydrophobicContact CE3-CB 4.4Å; W147-F457 HydrophobicContact CE3-CD1 4.11Å; W147-F457 HydrophobicContact CE3-CD2 4.05Å; W147-F457 HydrophobicContact CE3-CE1 4.49Å; W147-F457 HydrophobicContact CE3-CE2 4.46Å; W147-F457 AromaticContact CE3-CG 3.88Å; W147-F457 HydrophobicContact CE3-CG 3.88Å; W147-F457 HydrophobicContact CH2-CB 3.82Å; W147-F457 HydrophobicContact CH2-CD2 4.39Å; W147-F457 HydrophobicContact CH2-CG 4.14Å; W147-F457 HydrophobicContact CZ3-CB 3.43Å; W147-F457 VanDerWaalsContact CZ3-CB 3.43Å; W147-F457 AromaticContact CZ3-CD1 3.87Å; W147-F457 HydrophobicContact CZ3-CD1 3.87Å; W147-F457 AromaticContact CZ3-CD2 3.83Å; W147-F457 HydrophobicContact CZ3-CD2 3.83Å; W147-F457 AromaticContact CZ3-CG 3.39Å; W147-F457 HydrophobicContact CZ3-CG 3.39Å; L148-F457 HydrophobicContact CD1-CD1 4.36Å; L148-F457 HydrophobicContact CD1-CE1 4.02Å; L148-F457 HydrophobicContact CD2-CD1 3.64Å; L148-F457 HydrophobicContact CD2-CE1 4.11Å; L148-F457 HydrophobicContact CG-CD1 4.05Å; L148-F457 HydrophobicContact CG-CE1 3.99Å; L221-F457 HydrophobicContact CD2-CB 4.29Å; L221-F457 HydrophobicContact CD2-CD2 4.4Å; V225-F457 HydrophobicContact CB-CE2 4.21Å; V225-F457 HydrophobicContact CG1-CD2 3.53Å; V225-F457 HydrophobicContact CG1-CE2 3.51Å; V225-F457 HydrophobicContact CG2-CD2 4.37Å; V225-F457 HydrophobicContact CG2-CE2 3.6Å; V225-F457 HydrophobicContact CG2-CZ 4.08Å; M227-F457 HydrophobicContact CE-CD2 4.22Å; M227-F457 HydrophobicContact SD-CD2 3.59Å; M227-F457 VanDerWaalsContact SD-CD2 3.59Å; M227-F457 HydrophobicContact SD-CE2 3.67Å; F453-F457 WeakPolarHBondContact O-CB 3.43Å; F453-F457 PolarHBondContact O-N 3.36Å; C454-F457 PolarHBondContact O-N 2.63Å; F457-L459 VanDerWaalsContact C-N 3.35Å; F457-L459 PolarHBondContact O-N 3.02Å; F457-F460 PolarHBondContact O-N 2.85Å; F457-Q461 HydrophobicContact CE1-CB 4.22Å; F457-Q461 VanDerWaalsContact O-CB 3.31Å; F457-Q461 WeakPolarHBondContact O-CB 3.31Å; F457-Q461 PolarHBondContact O-N 2.92Å
458	K	98.7	Very high	98.4	Very high	24 Å²	24	23.6 Å²	23.6	10%	0.104	13%	0.128	C	C	.	.	H	α-helix	trans	-62	-42.2	177.1	-77.8	-69.7	-172.6	169.3	0	111.8	L148 P154 E155 I157 I160 C454 Y455 Y456 F460 Q461 E462	L148-K458 HydrophobicContact CD2-CD 4.14Å; L148-K458 HydrophobicContact CD2-CG 4.2Å; P154-K458 VanDerWaalsContact O-CE 3.32Å; P154-K458 WeakPolarHBondContact O-CE 3.37Å; E155-K458 PolarHBondContact O-NZ 3.11Å; I157-K458 HydrophobicContact CD1-CB 4.06Å; I157-K458 HydrophobicContact CD1-CG 4.3Å; I160-K458 HydrophobicContact CD1-CB 3.98Å; C454-K458 VanDerWaalsContact O-CB 3.28Å; C454-K458 WeakPolarHBondContact O-CB 3.49Å; C454-K458 WeakPolarHBondContact O-CG 3.48Å; C454-K458 PolarHBondContact O-N 3.24Å; Y455-K458 PolarHBondContact O-N 3.07Å; Y456-K458 PolarHBondContact O-N 3.42Å; K458-F460 VanDerWaalsContact C-N 3.34Å; K458-F460 PolarHBondContact O-N 3.16Å; K458-Q461 PolarHBondContact O-N 3.31Å; K458-E462 WeakPolarHBondContact O-CB 3.49Å; K458-E462 VanDerWaalsContact O-CG 3.23Å; K458-E462 WeakPolarHBondContact O-CG 3.32Å; K458-E462 PolarHBondContact O-N 2.93Å
459	L	98.8	Very high	98.4	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-58.7	-48.3	177.6	172.6	58.2	0	0	0	111.1	I160 L164 F254 I265 M267 Y455 Y456 F457 Y463	I160-L459 HydrophobicContact CD1-CB 3.83Å; I160-L459 HydrophobicContact CG1-CB 4.34Å; I160-L459 HydrophobicContact CG2-CD1 4.08Å; L164-L459 HydrophobicContact CD2-CD1 4.49Å; F254-L459 HydrophobicContact CD2-CD2 3.86Å; F254-L459 HydrophobicContact CD2-CG 4.46Å; F254-L459 HydrophobicContact CE2-CD1 4.13Å; F254-L459 HydrophobicContact CE2-CD2 3.56Å; F254-L459 HydrophobicContact CE2-CG 3.66Å; F254-L459 HydrophobicContact CZ-CD1 4.09Å; F254-L459 HydrophobicContact CZ-CD2 4.34Å; F254-L459 HydrophobicContact CZ-CG 4.09Å; I265-L459 HydrophobicContact CG2-CD1 3.51Å; I265-L459 HydrophobicContact CG2-CD2 4.42Å; M267-L459 HydrophobicContact CB-CD2 4.04Å; Y455-L459 HydrophobicContact CD1-CB 4.49Å; Y455-L459 HydrophobicContact CE1-CB 4.46Å; Y455-L459 HydrophobicContact CE1-CD2 4.24Å; Y455-L459 VanDerWaalsContact O-CB 3.26Å; Y455-L459 WeakPolarHBondContact O-CB 3.28Å; Y455-L459 PolarHBondContact O-N 2.68Å; Y456-L459 PolarHBondContact O-N 2.96Å; F457-L459 VanDerWaalsContact C-N 3.35Å; F457-L459 PolarHBondContact O-N 3.02Å; L459-Y463 WeakPolarHBondContact O-CB 3.31Å; L459-Y463 PolarHBondContact O-N 2.78Å
460	F	98.8	Very high	98.3	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-68.5	-38.6	179.9	-63	-41.3	0	0	0	112.9	M214 L218 L221 M227 M230 F232 F254 Y456 F457 K458 A464	M214-F460 HydrophobicContact CE-CE1 3.99Å; M214-F460 HydrophobicContact CE-CE2 4.45Å; M214-F460 HydrophobicContact CE-CZ 3.42Å; M214-F460 VanDerWaalsContact CE-CZ 3.42Å; L218-F460 HydrophobicContact CD2-CE1 4.49Å; L218-F460 HydrophobicContact CD2-CE2 3.81Å; L218-F460 HydrophobicContact CD2-CZ 3.8Å; L221-F460 HydrophobicContact CD1-CD2 4.09Å; L221-F460 HydrophobicContact CD1-CE2 3.85Å; M227-F460 HydrophobicContact CE-CB 3.84Å; M227-F460 HydrophobicContact CE-CD2 3.45Å; M227-F460 VanDerWaalsContact CE-CD2 3.45Å; M227-F460 HydrophobicContact CE-CE2 4.37Å; M227-F460 HydrophobicContact CE-CG 4.03Å; M230-F460 HydrophobicContact CE-CB 3.59Å; M230-F460 HydrophobicContact CE-CD1 3.06Å; M230-F460 HydrophobicContact CE-CD2 4.25Å; M230-F460 HydrophobicContact CE-CE1 3.74Å; M230-F460 HydrophobicContact CE-CG 3.37Å; M230-F460 HydrophobicContact SD-CB 3.77Å; M230-F460 HydrophobicContact SD-CD1 3.91Å; M230-F460 HydrophobicContact SD-CG 4.16Å; F232-F460 HydrophobicContact CE2-CE1 4.1Å; F232-F460 HydrophobicContact CZ-CE1 4.26Å; F254-F460 HydrophobicContact CD2-CE1 4.07Å; F254-F460 AromaticContact CE2-CD1 3.78Å; F254-F460 HydrophobicContact CE2-CD1 3.78Å; F254-F460 AromaticContact CE2-CE1 3.56Å; F254-F460 HydrophobicContact CE2-CE1 3.56Å; Y456-F460 AromaticContact CD1-CE2 3.71Å; Y456-F460 HydrophobicContact CD1-CE2 3.71Å; Y456-F460 AromaticContact CD1-CZ 3.69Å; Y456-F460 HydrophobicContact CD1-CZ 3.69Å; Y456-F460 HydrophobicContact CE1-CZ 4.34Å; Y456-F460 HydrophobicContact CG-CE2 4.27Å; Y456-F460 WeakPolarHBondContact O-CD2 3.37Å; Y456-F460 VanDerWaalsContact O-CG 3.29Å; Y456-F460 WeakPolarHBondContact O-CG 3.26Å; Y456-F460 PolarHBondContact O-N 3.22Å; F457-F460 PolarHBondContact O-N 2.85Å; K458-F460 VanDerWaalsContact C-N 3.34Å; K458-F460 PolarHBondContact O-N 3.16Å; F460-A464 WeakPolarHBondContact O-CB 3.31Å; F460-A464 PolarHBondContact O-N 2.84Å
461	Q	98.5	Very high	98.2	Very high	41 Å²	41	31 Å²	31	19%	0.192	17%	0.165	C	C	.	.	H	α-helix	trans	-60.9	-52.7	175.1	178.6	174.7	62.6	0	0	111.8	F457 K458 Y463 A464 N465	F457-Q461 HydrophobicContact CE1-CB 4.22Å; F457-Q461 VanDerWaalsContact O-CB 3.31Å; F457-Q461 WeakPolarHBondContact O-CB 3.31Å; F457-Q461 PolarHBondContact O-N 2.92Å; K458-Q461 PolarHBondContact O-N 3.31Å; Q461-Y463 PolarHBondContact O-N 2.95Å; Q461-A464 PolarHBondContact O-N 3.18Å; Q461-N465 VanDerWaalsContact O-CG 3.29Å; Q461-N465 PolarHBondContact O-N 2.81Å; Q461-N465 PolarHBondContact O-ND2 2.83Å
462	E	98.6	Very high	98.2	Very high	51 Å²	51	34.2 Å²	34.2	24%	0.238	18%	0.178	C	C	.	.	H	α-helix	trans	-64.7	-41	-179.8	-63.8	-63.7	154.1	0	0	111.2	I160 L164 K458 N465 L466	I160-E462 HydrophobicContact CG2-CB 4.32Å; I160-E462 HydrophobicContact CG2-CG 4.39Å; L164-E462 HydrophobicContact CD1-CB 3.49Å; L164-E462 VanDerWaalsContact CD1-CB 3.49Å; K458-E462 WeakPolarHBondContact O-CB 3.49Å; K458-E462 VanDerWaalsContact O-CG 3.23Å; K458-E462 WeakPolarHBondContact O-CG 3.32Å; K458-E462 PolarHBondContact O-N 2.93Å; E462-N465 PolarHBondContact O-N 3.34Å; E462-L466 WeakPolarHBondContact O-CG 3.23Å
463	Y	98.8	Very high	98.1	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-66.6	-39.7	178.2	-178.5	-98.9	0	0	0	113.1	L164 V170 M230 E231 F232 P252 F254 I265 L459 Q461 N465 L466	L164-Y463 HydrophobicContact CD2-CD2 3.95Å; V170-Y463 HydrophobicContact CG1-CE2 4.45Å; V170-Y463 WeakPolarHBondContact CG1-OH 3.43Å; V170-Y463 HydrophobicContact CG2-CE2 3.84Å; M230-Y463 HydrophobicContact SD-CD1 4.13Å; E231-Y463 WeakPolarHBondContact O-CE1 3.22Å; E231-Y463 PolarHBondContact O-OH 2.82Å; F232-Y463 HydrophobicContact CB-CD1 4.3Å; F232-Y463 HydrophobicContact CB-CE1 3.56Å; P252-Y463 HydrophobicContact CB-CE2 3.65Å; P252-Y463 HydrophobicContact CG-CE2 4.08Å; P252-Y463 WeakPolarHBondContact CG-OH 3.37Å; F254-Y463 HydrophobicContact CE1-CD1 4.25Å; F254-Y463 AromaticContact CE1-CD2 3.73Å; F254-Y463 HydrophobicContact CE1-CD2 3.73Å; F254-Y463 HydrophobicContact CE1-CE1 4.31Å; F254-Y463 AromaticContact CE1-CE2 3.81Å; F254-Y463 HydrophobicContact CE1-CE2 3.81Å; F254-Y463 AromaticContact CE1-CG 3.95Å; F254-Y463 HydrophobicContact CE1-CG 3.95Å; F254-Y463 AromaticContact CZ-CD1 3.93Å; F254-Y463 HydrophobicContact CZ-CD1 3.93Å; F254-Y463 AromaticContact CZ-CD2 3.91Å; F254-Y463 HydrophobicContact CZ-CD2 3.91Å; F254-Y463 HydrophobicContact CZ-CE1 4.39Å; F254-Y463 HydrophobicContact CZ-CE2 4.37Å; F254-Y463 AromaticContact CZ-CG 3.65Å; F254-Y463 HydrophobicContact CZ-CG 3.65Å; I265-Y463 HydrophobicContact CD1-CD2 4.17Å; I265-Y463 HydrophobicContact CD1-CE2 4.12Å; L459-Y463 WeakPolarHBondContact O-CB 3.31Å; L459-Y463 PolarHBondContact O-N 2.78Å; Q461-Y463 PolarHBondContact O-N 2.95Å; Y463-N465 VanDerWaalsContact C-N 3.27Å; Y463-N465 PolarHBondContact O-N 3.19Å; Y463-L466 WeakPolarHBondContact O-CB 3.45Å; Y463-L466 PolarHBondContact O-N 2.87Å; Y463-L466 VanDerWaalsContact O-N 3.14Å
464	A	98.6	Very high	98.1	Very high	14 Å²	14	40 Å²	40	12%	0.116	21%	0.205	C	C	.	.	H	α-helix	trans	-60.6	-38.3	176.3	0	0	0	0	0	111.8	P228 M230 F460 Q461 L466 Q467	P228-A464 HydrophobicContact CB-CB 3.67Å; P228-A464 HydrophobicContact CG-CB 3.83Å; M230-A464 HydrophobicContact CB-CB 3.93Å; M230-A464 HydrophobicContact SD-CB 4.45Å; F460-A464 WeakPolarHBondContact O-CB 3.31Å; F460-A464 PolarHBondContact O-N 2.84Å; Q461-A464 PolarHBondContact O-N 3.18Å; A464-L466 PolarHBondContact O-N 2.8Å; A464-Q467 PolarHBondContact O-N 2.91Å; A464-Q467 VanDerWaalsContact O-N 3.08Å
465	N	98.1	Very high	98	Very high	119 Å²	119	48.5 Å²	48.5	64%	0.636	25%	0.245	S	C	*	.	H	α-helix	trans	-64.1	-18.8	177.9	-67.5	-22.4	0	0	0	113.7	Q461 E462 Y463 Q467	Q461-N465 VanDerWaalsContact O-CG 3.29Å; Q461-N465 PolarHBondContact O-N 2.81Å; Q461-N465 PolarHBondContact O-ND2 2.83Å; E462-N465 PolarHBondContact O-N 3.34Å; Y463-N465 VanDerWaalsContact C-N 3.27Å; Y463-N465 PolarHBondContact O-N 3.19Å; N465-Q467 VanDerWaalsContact C-N 3.35Å
466	L	98.4	Very high	97.8	Very high	39 Å²	39	50.5 Å²	50.5	20%	0.204	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-10.5	177.6	-59.2	169.3	0	0	0	112.5	L164 F167 T169 V170 E462 Y463 A464	L164-L466 HydrophobicContact CB-CD1 4.13Å; L164-L466 HydrophobicContact CD1-CD1 4.18Å; L164-L466 HydrophobicContact CD2-CD1 4.12Å; L164-L466 HydrophobicContact CG-CD1 4.38Å; F167-L466 WeakPolarHBondContact O-CD1 3.26Å; T169-L466 CarbonylContact C-O 3.58Å; T169-L466 WeakPolarHBondContact CA-O 3.5Å; V170-L466 HydrophobicContact CG2-CB 4.05Å; V170-L466 PolarHBondContact N-O 3.21Å; E462-L466 WeakPolarHBondContact O-CG 3.23Å; Y463-L466 WeakPolarHBondContact O-CB 3.45Å; Y463-L466 PolarHBondContact O-N 2.87Å; Y463-L466 VanDerWaalsContact O-N 3.14Å; A464-L466 PolarHBondContact O-N 2.8Å
467	Q	98.4	Very high	97.8	Very high	27 Å²	27	51.6 Å²	51.6	13%	0.126	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-78.9	125.8	-175.5	-59.5	-163.2	11.1	0	0	112.3	V170 P172 E231 A464 N465	V170-Q467 HydrophobicContact CB-CG 4.23Å; V170-Q467 HydrophobicContact CG1-CG 4.29Å; V170-Q467 CarbonylContact O-C 3.56Å; V170-Q467 VanDerWaalsContact O-CA 3.25Å; V170-Q467 WeakPolarHBondContact O-CA 3.31Å; P172-Q467 HydrophobicContact CG-CB 4.16Å; P172-Q467 HydrophobicContact CG-CG 4.35Å; P172-Q467 VanDerWaalsContact CG-OE1 3.28Å; E231-Q467 VanDerWaalsContact N-NE2 3.15Å; E231-Q467 VanDerWaalsContact N-OE1 3.08Å; E231-Q467 PolarHBondContact O-NE2 3.08Å; A464-Q467 PolarHBondContact O-N 2.91Å; A464-Q467 VanDerWaalsContact O-N 3.08Å; N465-Q467 VanDerWaalsContact C-N 3.35Å
468	V	97.9	Very high	97.7	Very high	92 Å²	92	59.1 Å²	59.1	56%	0.558	31%	0.307	S	S	*	.	S	Bend	trans	-89.7	-7.8	-175.1	-59.1	0	0	0	0	114.1	T169 V170 D171	T169-V468 HydrophobicContact CG2-CG1 3.95Å; V170-V468 PolarHBondContact O-N 2.79Å; D171-V468 HydrophobicContact CB-CG2 3.91Å
469	S	96.6	Very high	97.7	Very high	42 Å²	42	65 Å²	65	29%	0.294	33%	0.329	S	S	.	.	S	Bend	trans	-136.7	162.4	177	71.1	0	0	0	0	111	P172	P172-S469 VanDerWaalsContact CD-OG 3.29Å; P172-S469 WeakPolarHBondContact CD-OG 3.45Å; P172-S469 WeakPolarHBondContact CG-OG 3.1Å
470	E	95.2	Very high	97.5	Very high	134 Å²	134	65.7 Å²	65.7	63%	0.626	33%	0.332	S	S	*	.			trans	-67.5	130.1	178.8	-169.2	175	-179.2	0	0	111.1	K195	K195-E470 IonicContact NZ-OE1 2.98Å; K195-E470 PolarHBondContact NZ-OE1 2.61Å
471	P	96.6	Very high	97	Very high	13 Å²	13	71.7 Å²	71.7	8%	0.084	36%	0.361	C	S	.	.			trans	-61	139.4	175.1	-24.2	34.4	0	0	0	112.1	T193 D229 E231	T193-P471 HydrophobicContact CG2-CB 4.16Å; D229-P471 HydrophobicContact CB-CG 4.13Å; E231-P471 HydrophobicContact CB-CB 4.17Å
472	Q	97.1	Very high	95.8	Very high	105 Å²	105	73 Å²	73	49%	0.491	37%	0.373	S	S	.	.			trans	-119.3	145.9	-177.5	-61.2	-165.8	-13.8	0	0	112.7	T193 R474	T193-Q472 WeakPolarHBondContact CG2-O 3.37Å; T193-Q472 PolarHBondContact OG1-O 2.91Å; Q472-R474 PolarHBondContact O-N 3.39Å
473	I	98.2	Very high	93.9	Very high	81 Å²	81	77.5 Å²	77.5	42%	0.415	39%	0.393	S	S	.	.			trans	-79.6	100.2	166.4	-57.2	166.6	0	0	0	106.8	K195 Y200 M477	K195-I473 HydrophobicContact CB-CD1 4.43Å; K195-I473 HydrophobicContact CB-CG1 4.26Å; K195-I473 HydrophobicContact CG-CD1 4.45Å; K195-I473 HydrophobicContact CG-CG1 4.5Å; Y200-I473 HydrophobicContact CD1-CD1 4.27Å; Y200-I473 HydrophobicContact CD1-CG1 4.34Å; Y200-I473 HydrophobicContact CD1-CG2 3.82Å; Y200-I473 HydrophobicContact CD2-CD1 4.01Å; Y200-I473 HydrophobicContact CD2-CG1 3.9Å; Y200-I473 HydrophobicContact CE1-CD1 3.82Å; Y200-I473 HydrophobicContact CE1-CG1 4.39Å; Y200-I473 HydrophobicContact CE1-CG2 4.2Å; Y200-I473 HydrophobicContact CE2-CD1 3.54Å; Y200-I473 HydrophobicContact CE2-CG1 3.96Å; Y200-I473 HydrophobicContact CG-CD1 4.36Å; Y200-I473 HydrophobicContact CG-CG1 4.1Å; Y200-I473 HydrophobicContact CG-CG2 4.11Å; Y200-I473 VanDerWaalsContact CZ-CD1 3.44Å; I473-M477 HydrophobicContact CG2-CB 4.23Å
474	R	97.3	Very high	91.9	Very high	43 Å²	43	81.1 Å²	81.1	16%	0.162	42%	0.416	C	S	.	.			trans	-79.6	159.3	-173.5	-57.8	-165.1	-177.7	-90.3	-11.4	112.9	P172 E173 E231 Q472 G476 M477	P172-R474 VanDerWaalsContact C-NH2 3.35Å; P172-R474 PolarHBondContact O-NH2 2.88Å; E173-R474 IonicContact OE1-CZ 3.43Å; E173-R474 IonicContact OE1-NH1 3.17Å; E173-R474 PolarHBondContact OE1-NH1 2.76Å; E173-R474 IonicContact OE1-NH2 2.83Å; E173-R474 PolarHBondContact OE1-NH2 2.82Å; E173-R474 IonicContact OE2-CZ 3.75Å; E173-R474 IonicContact OE2-NH1 2.86Å; E173-R474 PolarHBondContact OE2-NH1 2.86Å; E173-R474 IonicContact OE2-NH2 3.71Å; E231-R474 VanDerWaalsContact CD-NE 3.27Å; E231-R474 IonicContact OE1-CZ 3.29Å; E231-R474 VanDerWaalsContact OE1-CZ 3.29Å; E231-R474 IonicContact OE1-NE 2.68Å; E231-R474 PolarHBondContact OE1-NE 2.57Å; E231-R474 IonicContact OE1-NH2 3.11Å; E231-R474 PolarHBondContact OE1-NH2 3.44Å; E231-R474 VanDerWaalsContact OE1-NH2 3.11Å; E231-R474 IonicContact OE2-CZ 3.41Å; E231-R474 IonicContact OE2-NE 3.16Å; E231-R474 PolarHBondContact OE2-NE 2.94Å; E231-R474 VanDerWaalsContact OE2-NE 3.16Å; E231-R474 IonicContact OE2-NH2 2.85Å; E231-R474 PolarHBondContact OE2-NH2 3Å; Q472-R474 PolarHBondContact O-N 3.39Å; R474-G476 PolarHBondContact O-N 3.19Å; R474-M477 HydrophobicContact CB-CE 4.09Å; R474-M477 HydrophobicContact CB-CG 4.31Å; R474-M477 HydrophobicContact CB-SD 4.05Å; R474-M477 HydrophobicContact CG-CE 4.18Å; R474-M477 HydrophobicContact CG-SD 4.44Å; R474-M477 PolarHBondContact N-SD 3.4Å; R474-M477 VanDerWaalsContact O-CB 3.28Å; R474-M477 WeakPolarHBondContact O-CB 3.34Å; R474-M477 WeakPolarHBondContact O-CG 3.32Å; R474-M477 PolarHBondContact O-N 3.24Å
475	E	96.5	Very high	89.7	Confident	181 Å²	181	87.9 Å²	87.9	85%	0.846	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	129.2	177.1	-167.2	-170	165.9	0	0	111.9	K202 M477	K202-E475 PolarHBondContact NZ-O 3.27Å; E475-M477 VanDerWaalsContact C-N 3.32Å
476	G	95.9	Very high	87.6	Confident	53 Å²	53	88.9 Å²	88.9	55%	0.546	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.7	-0.2	-178.5	0	0	0	0	0	114.8	R474	R474-G476 PolarHBondContact O-N 3.19Å
477	M	97.9	Very high	86	Confident	23 Å²	23	89.2 Å²	89.2	11%	0.113	45%	0.452	C	S	.	.			trans	-70.5	138.3	168.7	-72.8	-175.6	169.1	0	0	111.2	H191 T193 I201 K202 I473 R474 E475	H191-M477 HydrophobicContact CB-CE 4.35Å; H191-M477 VanDerWaalsContact CD2-CE 3.49Å; H191-M477 WeakPolarHBondContact CD2-CE 3.43Å; H191-M477 VanDerWaalsContact CE1-CE 3.47Å; H191-M477 WeakPolarHBondContact CE1-CE 3.36Å; H191-M477 WeakPolarHBondContact NE2-CE 3.46Å; T193-M477 VanDerWaalsContact OG1-CE 3.26Å; T193-M477 WeakPolarHBondContact OG1-CE 3.35Å; T193-M477 PolarHBondContact OG1-SD 3.26Å; I201-M477 CarbonylContact O-C 3.5Å; I201-M477 WeakPolarHBondContact O-CA 3.48Å; K202-M477 HydrophobicContact CB-CG 3.81Å; I473-M477 HydrophobicContact CG2-CB 4.23Å; R474-M477 HydrophobicContact CB-CE 4.09Å; R474-M477 HydrophobicContact CB-CG 4.31Å; R474-M477 HydrophobicContact CB-SD 4.05Å; R474-M477 HydrophobicContact CG-CE 4.18Å; R474-M477 HydrophobicContact CG-SD 4.44Å; R474-M477 PolarHBondContact N-SD 3.4Å; R474-M477 VanDerWaalsContact O-CB 3.28Å; R474-M477 WeakPolarHBondContact O-CB 3.34Å; R474-M477 WeakPolarHBondContact O-CG 3.32Å; R474-M477 PolarHBondContact O-N 3.24Å; E475-M477 VanDerWaalsContact C-N 3.32Å
478	K	97.2	Very high	84.8	Confident	159 Å²	159	94.8 Å²	94.8	69%	0.691	48%	0.482	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.9	141.9	175.8	-62.7	-178.5	-179.3	-178.6	0	109.2	Y200 I201 V480	Y200-K478 CarbonylContact C-O 3.58Å; Y200-K478 VanDerWaalsContact CA-O 3.31Å; Y200-K478 WeakPolarHBondContact CA-O 3.5Å; I201-K478 PolarHBondContact N-O 3.09Å; I201-K478 PolarHBondContact O-N 3.25Å; K478-V480 PolarHBondContact O-N 3.2Å
479	R	97.4	Very high	84	Confident	149 Å²	149	93.1 Å²	93.1	56%	0.562	47%	0.468	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65	129.4	171.4	-173.3	176.2	177.8	-171.3	-2.9	109	V199 Y200 Q481	V199-R479 WeakPolarHBondContact O-CA 3.5Å; Y200-R479 HydrophobicContact CD1-CB 4.03Å; Y200-R479 HydrophobicContact CE1-CB 3.9Å; Y200-R479 HydrophobicContact CE1-CG 4.22Å; R479-Q481 PolarHBondContact O-N 2.65Å
480	V	96.1	Very high	83.3	Confident	13 Å²	13	96.4 Å²	96.4	8%	0.079	49%	0.488	C	S	.	.	P	Polyproline II helix	trans	-72.6	121.7	171	-171.3	0	0	0	0	107.4	Y192 V199 I201 D215 L219 K478	Y192-V480 HydrophobicContact CE1-CG2 4.48Å; V199-V480 HydrophobicContact CB-CB 4.03Å; V199-V480 HydrophobicContact CB-CG2 3.98Å; V199-V480 HydrophobicContact CG1-CB 4.24Å; V199-V480 HydrophobicContact CG1-CG2 3.69Å; V199-V480 PolarHBondContact O-N 3.38Å; I201-V480 HydrophobicContact CB-CG2 3.93Å; I201-V480 HydrophobicContact CG2-CG2 3.68Å; D215-V480 HydrophobicContact CB-CG1 3.85Å; L219-V480 HydrophobicContact CD1-CG1 3.93Å; L219-V480 HydrophobicContact CD2-CG1 4.45Å; L219-V480 HydrophobicContact CG-CG1 4.28Å; K478-V480 PolarHBondContact O-N 3.2Å
481	Q	87.1	Confident	83	Confident	127 Å²	127	91.7 Å²	91.7	59%	0.593	47%	0.469	S	S	*	.	P	Polyproline II helix	trans	-91.1	146.9	177.6	-70.5	-180	-22.6	0	0	110.2	R479	R479-Q481 PolarHBondContact O-N 2.65Å
482	P	74.2	Confident	82.6	Confident	68 Å²	68	96 Å²	96	44%	0.442	50%	0.496	S	S	.	.	P	Polyproline II helix	trans	-54.3	142.4	166.2	-20.1	32.3	0	0	0	110.7	T484	P482-T484 PolarHBondContact O-N 2.86Å
483	Q	58.9	Low	82.2	Confident	145 Å²	145	92.4 Å²	92.4	68%	0.678	48%	0.482	S	S	*	.	S	Bend	trans	-65.9	-17.4	179.8	-71.6	-175.2	-9.2	0	0	113.5
484	T	56.7	Low	81.7	Confident	77 Å²	77	94.6 Å²	94.6	47%	0.472	49%	0.49	S	S	.	.			trans	-123.8	105.4	177.7	55.8	0	0	0	0	108.9	P482	P482-T484 PolarHBondContact O-N 2.86Å
485	E	52.5	Low	81.1	Confident	156 Å²	156	94.5 Å²	94.5	73%	0.729	49%	0.489	S	S	*	.	S	Bend	trans	-69.9	-24.2	167	-67.7	-169.9	153.4	0	0	111
486	D	52.9	Low	79.9	Confident	139 Å²	139	91.1 Å²	91.1	74%	0.743	47%	0.472	S	S	*	.			trans	-105	82.7	177.7	-64.9	-36	0	0	0	111.5	L488	D486-L488 PolarHBondContact O-N 2.83Å
487	D	65.9	Low	78	Confident	46 Å²	46	98 Å²	98	25%	0.246	49%	0.487	C	S	.	.			trans	-68.8	110.1	161.8	-171.6	-3.7	0	0	0	108.2	H134 F489 P490	H134-D487 IonicContact CE1-OD1 3.78Å; H134-D487 IonicContact CE1-OD2 2.93Å; H134-D487 PolarHBondContact CE1-OD2 3.44Å; H134-D487 IonicContact NE2-OD2 3.93Å; H134-D487 PolarHBondContact NE2-OD2 3.47Å; D487-F489 PolarHBondContact O-N 3.17Å; D487-F489 PolarHBondContact OD1-N 2.96Å; D487-P490 WeakPolarHBondContact O-CD 3.28Å
488	L	72.6	Confident	75.3	Confident	144 Å²	144	102.5 Å²	102.5	75%	0.754	52%	0.516	S	S	*	.	S	Bend	trans	-58.1	-19.5	177.2	-68.2	172.6	0	0	0	112.5	D486	D486-L488 PolarHBondContact O-N 2.83Å
489	F	82.2	Confident	72.8	Confident	57 Å²	57	104.4 Å²	104.4	25%	0.25	52%	0.524	C	S	.	.	S	Bend	trans	-134.4	73.3	-179.1	-57.5	-69.6	0	0	0	111.5	R84 Y104 A105 H134 D487	R84-F489 VanDerWaalsContact CD-CE1 3.41Å; R84-F489 VanDerWaalsContact CZ-CE1 3.46Å; Y104-F489 WeakPolarHBondContact O-CB 3.47Å; Y104-F489 WeakPolarHBondContact O-CD2 3.24Å; Y104-F489 WeakPolarHBondContact O-CG 3.43Å; A105-F489 HydrophobicContact CB-CB 3.89Å; A105-F489 HydrophobicContact CB-CG 4.2Å; H134-F489 PolarHBondContact NE2-O 3.21Å; D487-F489 PolarHBondContact O-N 3.17Å; D487-F489 PolarHBondContact OD1-N 2.96Å
490	P	81.7	Confident	70	Confident	112 Å²	112	103.8 Å²	103.8	73%	0.727	53%	0.532	S	S	*	.			trans	-59.7	146.4	-179.9	27.5	-34.8	0	0	0	110.7	D487	D487-P490 WeakPolarHBondContact O-CD 3.28Å
491	C	87.5	Confident	67.2	Low	34 Å²	34	112.4 Å²	112.4	23%	0.23	57%	0.571	C	S	.	*			trans	-108.1	152	177.3	76.3	0	0	0	0	111.8	S106 C137	S106-C491 WeakPolarHBondContact OG-CB 3.29Å; C137-C491 WeakPolarHBondContact CA-SG 3.45Å; C137-C491 HydrophobicContact CB-CB 3.71Å; C137-C491 WeakPolarHBondContact CB-SG 3.36Å; C137-C491 WeakPolarHBondContact SG-CB 3.35Å; C137-C491 CovalentContact SG-SG 2.01Å; C137-C491 PolarHBondContact SG-SG 3.34Å
492	T	88.4	Confident	64.6	Low	105 Å²	105	117.6 Å²	117.6	64%	0.644	60%	0.602	S	S	*	*			trans	-89.9	122	165.5	-52.5	0	0	0	0	109.3	H494	T492-H494 PolarHBondContact O-CE1 3.32Å; T492-H494 PolarHBondContact O-ND1 3.22Å
493	C	88.9	Confident	64.1	Low	28 Å²	28	120.1 Å²	120.1	19%	0.189	61%	0.61	C	S	.	*			trans	-81.1	124.5	175.1	-179.8	0	0	0	0	111.3	C139 R495 K496	C139-C493 WeakPolarHBondContact CA-SG 3.28Å; C139-C493 HydrophobicContact CB-CB 3.52Å; C139-C493 WeakPolarHBondContact CB-SG 3.34Å; C139-C493 WeakPolarHBondContact SG-CA 3.45Å; C139-C493 WeakPolarHBondContact SG-CB 3.41Å; C139-C493 CovalentContact SG-SG 2.05Å; C139-C493 PolarHBondContact SG-SG 3.49Å; C493-R495 PolarHBondContact SG-N 3.45Å; C493-K496 HydrophobicContact CB-CD 4.11Å; C493-K496 HydrophobicContact CB-CG 4.38Å
494	H	88	Confident	64.4	Low	127 Å²	127	118.8 Å²	118.8	59%	0.588	61%	0.607	S	S	*	*	S	Bend	trans	-102	-1.1	179.6	-54.4	67.5	0	0	0	112.5	P131 Y133 C139 T492	P131-H494 HydrophobicContact CG-CB 4.23Å; Y133-H494 VanDerWaalsContact OH-CB 3.27Å; Y133-H494 WeakPolarHBondContact OH-CB 3.26Å; Y133-H494 PolarHBondContact OH-N 3Å; Y133-H494 PolarHBondContact OH-ND1 2.94Å; C139-H494 PolarHBondContact SG-N 2.97Å; T492-H494 PolarHBondContact O-CE1 3.32Å; T492-H494 PolarHBondContact O-ND1 3.22Å
495	R	84.8	Confident	64.8	Low	41 Å²	41	121.1 Å²	121.1	16%	0.155	61%	0.614	C	S	.	*	S	Bend	trans	-96.9	-13.7	179.2	-61.4	172.7	172.6	169.2	-6	113.1	D42 Y133 C139 C493 K497	D42-R495 IonicContact OD1-NH2 3.52Å; D42-R495 PolarHBondContact OD1-NH2 2.8Å; Y133-R495 HydrophobicContact CE2-CG 4.34Å; C139-R495 PolarHBondContact O-NH1 3.39Å; C493-R495 PolarHBondContact SG-N 3.45Å; R495-K497 PolarHBondContact O-N 3.36Å
496	K	70.3	Confident	65.6	Low	110 Å²	110	119.1 Å²	119.1	48%	0.478	61%	0.607	S	S	.	*	S	Bend	trans	-75.7	111.9	172.4	-76.6	172	-176.4	170.7	0	107.2	D138 C493 T498	D138-K496 PolarHBondContact O-NZ 2.83Å; D138-K496 IonicContact OD2-NZ 2.8Å; D138-K496 PolarHBondContact OD2-NZ 2.86Å; C493-K496 HydrophobicContact CB-CD 4.11Å; C493-K496 HydrophobicContact CB-CG 4.38Å; K496-T498 PolarHBondContact O-N 2.84Å
497	K	56.3	Low	66.4	Low	197 Å²	197	117.8 Å²	117.8	86%	0.857	60%	0.599	S	S	*	*			trans	-58.6	128.5	166.6	-74.9	-174.6	176.2	-177.5	0	107.5	R495 K499	R495-K497 PolarHBondContact O-N 3.36Å; K497-K499 PolarHBondContact O-N 2.86Å; K497-K499 VanDerWaalsContact O-N 3.17Å
498	T	42.9	Very low	66.4	Low	119 Å²	119	122.6 Å²	122.6	73%	0.73	62%	0.622	S	S	*	*			trans	-51.4	122.1	157.8	27	0	0	0	0	106.4	K496 D500	K496-T498 PolarHBondContact O-N 2.84Å; T498-D500 VanDerWaalsContact C-N 3.27Å; T498-D500 PolarHBondContact O-N 3.15Å
499	K	43.4	Very low	66	Low	199 Å²	199	121.1 Å²	121.1	87%	0.865	61%	0.613	S	S	*	*			trans	-63.3	104.8	158	-79.8	-175.4	173.6	-175.2	0	104	K497 E501	K497-K499 PolarHBondContact O-N 2.86Å; K497-K499 VanDerWaalsContact O-N 3.17Å; K499-E501 PolarHBondContact O-N 3.01Å
500	D	38.1	Very low	64.7	Low	135 Å²	135	126 Å²	126	72%	0.722	64%	0.641	S	S	*	*			trans	-60.6	107.9	163.7	-70.9	-26.7	0	0	0	105.5	T498 L502	T498-D500 VanDerWaalsContact C-N 3.27Å; T498-D500 PolarHBondContact O-N 3.15Å; D500-L502 PolarHBondContact O-N 3.3Å; D500-L502 VanDerWaalsContact O-N 3.14Å
501	E	37.5	Very low	63.3	Low	194 Å²	194	127.2 Å²	127.2	91%	0.907	63%	0.634	S	S	*	*			trans	-65.5	105.6	166.6	-66.7	-176.7	167.6	0	0	106.4	K499	K499-E501 PolarHBondContact O-N 3.01Å
502	L	33.4	Very low	61.1	Low	237 Å²	237	135.6 Å²	135.6	100%	1.241	67%	0.67	S	S	*	*			trans	-107.6	0	164.9	-86.2	169.8	0	0	0	109.1	D500	D500-L502 PolarHBondContact O-N 3.3Å; D500-L502 VanDerWaalsContact O-N 3.14Å

Retrieved 502 of 502 residues in 291.3 ms (Link to these results)

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