A0A087XAG4_POEFO Loading...

Spire-type actin nucleation factor 2

AlphaFold DB , UniProt , Accession A0A087XAG4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 753 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	S	33.5	Very low	31	Very low	167 Å²	167	133 Å²	133	100%	1.168	80%	0.796	S	S	*	*				0	130.8	0	-40.6	0	0	0	0	107.3
2	A	33.2	Very low	30.7	Very low	83 Å²	83	132.2 Å²	132.2	69%	0.686	80%	0.796	S	S	*	*			cis	67.7	129.5	41.6	0	0	0	0	0	110.5
3	E	33.5	Very low	30.6	Very low	178 Å²	178	132.2 Å²	132.2	83%	0.832	80%	0.798	S	S	*	*			cis	-146.2	143.6	4.3	-109.7	147	134.2	0	0	108.8
4	D	33.9	Very low	30.4	Very low	150 Å²	150	133.3 Å²	133.3	80%	0.802	80%	0.797	S	S	*	*				75.4	146.8	100.5	-163.7	28.9	0	0	0	115.6
5	G	30.1	Very low	30.2	Very low	71 Å²	71	139.4 Å²	139.4	73%	0.732	80%	0.801	S	S	*	*			trans	166.2	47.2	-170.4	0	0	0	0	0	114.7
6	D	29.3	Very low	30.2	Very low	130 Å²	130	135.8 Å²	135.8	70%	0.695	79%	0.792	S	S	*	*			trans	-67.5	125.4	-172.6	-175.4	44.8	0	0	0	115.2	R8	D6-R8 PolarHBondContact O-N 2.67Å
7	P	34.4	Very low	30.1	Very low	105 Å²	105	136.8 Å²	136.8	68%	0.682	79%	0.788	S	S	*	*			trans	-86.3	102.2	172.2	33.2	-31.2	0	0	0	111.4	V9	P7-V9 PolarHBondContact O-N 3.03Å
8	R	30.3	Very low	30.3	Very low	231 Å²	231	137.1 Å²	137.1	87%	0.872	79%	0.792	S	S	*	*			trans	-39.9	108.4	178.6	-75.3	179	170	152.6	-2.6	114.3	D6	D6-R8 PolarHBondContact O-N 2.67Å
9	V	29.2	Very low	30.5	Very low	137 Å²	137	140.2 Å²	140.2	83%	0.83	79%	0.789	S	S	*	*			trans	-91.3	111.4	162.5	178.2	0	0	0	0	109.1	P7 A11	P7-V9 PolarHBondContact O-N 3.03Å; V9-A11 PolarHBondContact O-N 2.82Å; V9-A11 VanDerWaalsContact O-N 3.08Å
10	T	29.5	Very low	30.6	Very low	133 Å²	133	140.1 Å²	140.1	82%	0.816	79%	0.787	S	S	*	*			trans	-71.8	100.2	177.4	-35	0	0	0	0	110.2
11	A	24.4	Very low	31.3	Very low	78 Å²	78	139.9 Å²	139.9	65%	0.645	78%	0.783	S	S	*	*			trans	-69.7	131	174.8	0	0	0	0	0	110.7	V9 T13	V9-A11 PolarHBondContact O-N 2.82Å; V9-A11 VanDerWaalsContact O-N 3.08Å; A11-T13 PolarHBondContact O-N 3.05Å
12	P	27.6	Very low	32.2	Very low	123 Å²	123	135.9 Å²	135.9	80%	0.799	76%	0.76	S	S	*	*			trans	-70.3	120.7	173.3	27.5	-32	0	0	0	109.6	D14	P12-D14 VanDerWaalsContact C-N 3.25Å; P12-D14 PolarHBondContact O-N 3.39Å
13	T	28.9	Very low	33.6	Very low	133 Å²	133	137.7 Å²	137.7	82%	0.816	75%	0.754	S	S	*	*			trans	-74.2	81	170.9	47.9	0	0	0	0	110.1	A11 R15	A11-T13 PolarHBondContact O-N 3.05Å; T13-R15 PolarHBondContact O-N 3.34Å
14	D	27.8	Very low	35.5	Very low	147 Å²	147	131.9 Å²	131.9	79%	0.786	73%	0.732	S	S	*	*			trans	-68.7	81.4	166.3	-170.3	5.9	0	0	0	109.6	P12 A16	P12-D14 VanDerWaalsContact C-N 3.25Å; P12-D14 PolarHBondContact O-N 3.39Å; D14-A16 VanDerWaalsContact C-N 3.28Å; D14-A16 PolarHBondContact O-N 3.48Å
15	R	27.6	Very low	37.7	Very low	225 Å²	225	135 Å²	135	85%	0.849	73%	0.733	S	S	*	*			trans	-74.7	87.8	167.4	-95.9	-173.3	164.1	175.4	-3.8	107.5	T13 E17	T13-R15 PolarHBondContact O-N 3.34Å; R15-E17 PolarHBondContact O-N 3.24Å
16	A	29.5	Very low	40.6	Very low	81 Å²	81	136.4 Å²	136.4	67%	0.669	72%	0.72	S	S	*	*			trans	-48.4	111.1	166.1	0	0	0	0	0	109.5	D14 V18	D14-A16 VanDerWaalsContact C-N 3.28Å; D14-A16 PolarHBondContact O-N 3.48Å; A16-V18 PolarHBondContact O-N 3.4Å
17	E	29.1	Very low	43.7	Very low	153 Å²	153	130.4 Å²	130.4	72%	0.715	69%	0.688	S	S	*	*			trans	-65	105.5	179.4	-69.1	-167.2	147.2	0	0	109.2	R15 R19	R15-E17 PolarHBondContact O-N 3.24Å; E17-R19 HydrophobicContact CB-CG 4.36Å; E17-R19 PolarHBondContact O-N 3.38Å; E17-R19 IonicContact OE2-NE 3.73Å
18	V	32.8	Very low	46.6	Very low	143 Å²	143	125.8 Å²	125.8	87%	0.867	66%	0.658	S	S	*	*			trans	-70.1	81.1	165.3	-176.9	0	0	0	0	107.3	A16 D20	A16-V18 PolarHBondContact O-N 3.4Å; V18-D20 PolarHBondContact O-N 2.88Å; V18-D20 VanDerWaalsContact O-N 3.16Å
19	R	34.4	Very low	49.8	Very low	195 Å²	195	114.8 Å²	114.8	74%	0.736	62%	0.617	S	S	*	*			trans	-60.8	116.1	172.7	-74	-172.5	171.5	-161.1	-2.7	108.4	E17 L21	E17-R19 HydrophobicContact CB-CG 4.36Å; E17-R19 PolarHBondContact O-N 3.38Å; E17-R19 IonicContact OE2-NE 3.73Å; R19-L21 PolarHBondContact O-N 3.46Å
20	D	33.8	Very low	52.9	Low	139 Å²	139	110.7 Å²	110.7	74%	0.743	59%	0.589	S	S	*	*			trans	-62.7	108.5	172.4	-143.7	-26.9	0	0	0	107.5	V18 A22 R708	V18-D20 PolarHBondContact O-N 2.88Å; V18-D20 VanDerWaalsContact O-N 3.16Å; D20-A22 PolarHBondContact O-N 2.9Å; D20-R708 IonicContact OD1-NH2 2.79Å
21	L	43.9	Very low	56	Low	136 Å²	136	108.6 Å²	108.6	71%	0.712	57%	0.569	S	S	*	*			trans	-72.8	82.4	-178.6	-73.1	173	0	0	0	109.5	R19	R19-L21 PolarHBondContact O-N 3.46Å
22	A	53.9	Low	59.3	Low	82 Å²	82	105 Å²	105	68%	0.678	54%	0.54	S	S	*	.	P	Polyproline II helix	trans	-68.1	135.2	147.8	0	0	0	0	0	108.2	D20	D20-A22 PolarHBondContact O-N 2.9Å
23	E	61.3	Low	62.5	Low	121 Å²	121	99.2 Å²	99.2	57%	0.565	50%	0.502	S	S	*	.	P	Polyproline II helix	trans	-59.4	133.1	173.9	-66.2	171.9	175.5	0	0	109.2	R25 R79	E23-R25 PolarHBondContact O-N 2.8Å; E23-R79 IonicContact OE2-CZ 2.68Å; E23-R79 IonicContact OE2-NH1 3.88Å; E23-R79 PolarHBondContact OE2-NH1 2.98Å; E23-R79 IonicContact OE2-NH2 3.16Å; E23-R79 PolarHBondContact OE2-NH2 3.49Å
24	P	73.1	Confident	65.4	Low	56 Å²	56	98.2 Å²	98.2	36%	0.364	49%	0.486	S	S	.	.	P	Polyproline II helix	trans	-52.7	137.8	176.1	-27.2	35.4	0	0	0	111.2	L27 L206	P24-L27 HydrophobicContact CB-CD2 4.36Å; P24-L206 HydrophobicContact CB-CD2 4.13Å; P24-L206 HydrophobicContact CG-CD2 3.72Å
25	R	81.4	Confident	68.3	Low	217 Å²	217	92 Å²	92	82%	0.819	45%	0.454	S	S	*	.	S	Bend	trans	-82.1	-32.4	175.4	-65.8	-174.1	177	-163.7	-0.8	111.8	E23	E23-R25 PolarHBondContact O-N 2.8Å
26	E	91.6	Very high	71.1	Confident	99 Å²	99	82.5 Å²	82.5	46%	0.463	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	154.2	-179.6	60.9	-173.3	-156.9	0	0	109.5	L77 H78	E26-L77 CarbonylContact C-O 3.53Å; E26-L77 VanDerWaalsContact CA-O 3.25Å; E26-L77 WeakPolarHBondContact CA-O 3.29Å; E26-H78 IonicContact OE2-CE1 2.89Å; E26-H78 PolarHBondContact OE2-CE1 3.35Å
27	L	94.2	Very high	73.8	Confident	4 Å²	4	82.9 Å²	82.9	2%	0.021	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	137.8	171.9	-77.5	177.1	0	0	0	108	P24 L76 L77 F202 T205 L206	P24-L27 HydrophobicContact CB-CD2 4.36Å; L27-L76 CarbonylContact O-C 3.59Å; L27-L76 WeakPolarHBondContact O-CA 3.4Å; L27-L77 PolarHBondContact N-O 2.71Å; L27-L77 PolarHBondContact O-N 2.83Å; L27-F202 HydrophobicContact CB-CD2 4.06Å; L27-F202 HydrophobicContact CB-CE2 4Å; L27-F202 HydrophobicContact CD1-CD2 3.98Å; L27-F202 HydrophobicContact CD1-CE2 4.08Å; L27-F202 HydrophobicContact CD1-CG 4.49Å; L27-F202 HydrophobicContact CG-CD2 4.09Å; L27-F202 HydrophobicContact CG-CE2 3.78Å; L27-F202 HydrophobicContact CG-CZ 4.47Å; L27-T205 HydrophobicContact CD1-CG2 3.79Å; L27-L206 HydrophobicContact CD1-CD2 3.79Å; L27-L206 HydrophobicContact CD1-CG 3.92Å; L27-L206 HydrophobicContact CD2-CD2 4.07Å; L27-L206 HydrophobicContact CG-CD2 4.14Å
28	S	95.5	Very high	76.5	Confident	9 Å²	9	77.4 Å²	77.4	6%	0.063	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	151.5	170.8	69.3	0	0	0	0	111.9	E30 E31 V32 I75	S28-E30 PolarHBondContact O-N 3.15Å; S28-E31 VanDerWaalsContact CB-OE2 3.27Å; S28-E31 WeakPolarHBondContact CB-OE2 3.5Å; S28-E31 PolarHBondContact N-OE2 2.96Å; S28-E31 WeakPolarHBondContact O-CB 3.4Å; S28-E31 PolarHBondContact O-N 3.18Å; S28-E31 WeakPolarHBondContact OG-CG 3.43Å; S28-E31 PolarHBondContact OG-N 2.71Å; S28-E31 PolarHBondContact OG-OE2 2.9Å; S28-V32 PolarHBondContact O-N 2.7Å; S28-I75 CarbonylContact C-O 3.59Å; S28-I75 VanDerWaalsContact CA-O 3.26Å; S28-I75 WeakPolarHBondContact CA-O 3.45Å
29	L	96.3	Very high	79.2	Confident	0 Å²	0	72.7 Å²	72.7	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-62.2	-28.2	175.4	-175.7	63.5	0	0	0	111.4	V32 L33 I40 V48 P72 I75 L77 A116	L29-V32 HydrophobicContact CD1-CB 4.48Å; L29-V32 WeakPolarHBondContact O-CB 3.23Å; L29-V32 PolarHBondContact O-N 2.8Å; L29-L33 HydrophobicContact CG-CD1 4.4Å; L29-L33 VanDerWaalsContact O-CG 3.26Å; L29-L33 WeakPolarHBondContact O-CG 3.39Å; L29-L33 PolarHBondContact O-N 3.01Å; L29-I40 HydrophobicContact CD1-CG2 4Å; L29-V48 HydrophobicContact CD2-CG1 4.49Å; L29-P72 HydrophobicContact CB-CB 4.19Å; L29-P72 WeakPolarHBondContact CB-O 3.47Å; L29-P72 HydrophobicContact CD2-CB 4.29Å; L29-P72 HydrophobicContact CG-CB 4.24Å; L29-I75 HydrophobicContact CB-CB 4.11Å; L29-I75 HydrophobicContact CB-CG2 4.33Å; L29-I75 HydrophobicContact CD2-CD1 4.01Å; L29-I75 PolarHBondContact N-O 3.19Å; L29-L77 HydrophobicContact CB-CD1 4.04Å; L29-L77 HydrophobicContact CD1-CD1 4.23Å; L29-A116 HydrophobicContact CD2-CB 3.81Å; L29-A116 HydrophobicContact CG-CB 4.4Å
30	E	95.1	Very high	82	Confident	51 Å²	51	63.5 Å²	63.5	24%	0.238	32%	0.319	C	S	.	.	H	α-helix	trans	-67	-37.4	172.7	-156.3	-152.7	-164.3	0	0	112.7	S28 V32 L33 K34 P72 W119	S28-E30 PolarHBondContact O-N 3.15Å; E30-V32 VanDerWaalsContact C-N 3.34Å; E30-L33 PolarHBondContact O-N 2.69Å; E30-K34 HydrophobicContact CG-CD 4.26Å; E30-K34 WeakPolarHBondContact O-CB 3.37Å; E30-K34 VanDerWaalsContact O-CG 3.25Å; E30-K34 WeakPolarHBondContact O-CG 3.36Å; E30-K34 PolarHBondContact O-N 3.24Å; E30-K34 WeakPolarHBondContact OE1-CE 3.35Å; E30-K34 IonicContact OE1-NZ 2.78Å; E30-K34 PolarHBondContact OE1-NZ 2.98Å; E30-K34 IonicContact OE2-NZ 3.16Å; E30-K34 PolarHBondContact OE2-NZ 2.76Å; E30-P72 HydrophobicContact CB-CB 4.22Å; E30-W119 HydrophobicContact CG-CH2 4.01Å; E30-W119 HydrophobicContact CG-CZ3 4.3Å
31	E	93.8	Very high	84.7	Confident	88 Å²	88	59.8 Å²	59.8	41%	0.411	30%	0.299	S	S	.	.	H	α-helix	trans	-67.3	-34.1	173.9	-74.4	160.2	123.2	0	0	111.9	S28 S35	S28-E31 VanDerWaalsContact CB-OE2 3.27Å; S28-E31 WeakPolarHBondContact CB-OE2 3.5Å; S28-E31 PolarHBondContact N-OE2 2.96Å; S28-E31 WeakPolarHBondContact O-CB 3.4Å; S28-E31 PolarHBondContact O-N 3.18Å; S28-E31 WeakPolarHBondContact OG-CG 3.43Å; S28-E31 PolarHBondContact OG-N 2.71Å; S28-E31 PolarHBondContact OG-OE2 2.9Å; E31-S35 WeakPolarHBondContact O-CB 3.32Å; E31-S35 PolarHBondContact O-N 3.01Å; E31-S35 PolarHBondContact O-OG 2.9Å
32	V	94.4	Very high	86.9	Confident	4 Å²	4	55.5 Å²	55.5	2%	0.024	28%	0.275	C	S	.	.	H	α-helix	trans	-60.8	-55.9	170.8	177.3	0	0	0	0	110.1	S28 L29 E30 K34 S35 Y36 L77 L201 T205	S28-V32 PolarHBondContact O-N 2.7Å; L29-V32 HydrophobicContact CD1-CB 4.48Å; L29-V32 WeakPolarHBondContact O-CB 3.23Å; L29-V32 PolarHBondContact O-N 2.8Å; E30-V32 VanDerWaalsContact C-N 3.34Å; V32-K34 VanDerWaalsContact C-N 3.3Å; V32-K34 PolarHBondContact O-N 3.21Å; V32-S35 WeakPolarHBondContact O-CB 3.41Å; V32-S35 PolarHBondContact O-N 2.9Å; V32-Y36 HydrophobicContact CG1-CD2 4.29Å; V32-Y36 HydrophobicContact CG1-CE2 4.44Å; V32-Y36 WeakPolarHBondContact O-CD2 3.31Å; V32-Y36 PolarHBondContact O-N 2.9Å; V32-L77 HydrophobicContact CG2-CD1 4.28Å; V32-L201 HydrophobicContact CG1-CD1 3.67Å; V32-L201 HydrophobicContact CG1-CD2 4.38Å; V32-L201 HydrophobicContact CG1-CG 4.12Å; V32-T205 HydrophobicContact CG2-CG2 4.15Å
33	L	93.8	Very high	88.7	Confident	1 Å²	1	53.1 Å²	53.1	1%	0.005	25%	0.25	C	S	.	.	H	α-helix	trans	-58.1	-39.7	-179.5	-66.7	167	0	0	0	112.5	L29 E30 E37 Q38 I40 P72 A116 W119	L29-L33 HydrophobicContact CG-CD1 4.4Å; L29-L33 VanDerWaalsContact O-CG 3.26Å; L29-L33 WeakPolarHBondContact O-CG 3.39Å; L29-L33 PolarHBondContact O-N 3.01Å; E30-L33 PolarHBondContact O-N 2.69Å; L33-E37 WeakPolarHBondContact O-CA 3.35Å; L33-E37 PolarHBondContact O-N 3.33Å; L33-Q38 WeakPolarHBondContact CD2-O 3.32Å; L33-I40 HydrophobicContact CD2-CG2 4.06Å; L33-P72 HydrophobicContact CD1-CB 4.01Å; L33-P72 HydrophobicContact CD1-CG 4.12Å; L33-A116 HydrophobicContact CD1-CB 3.86Å; L33-A116 HydrophobicContact CD2-CB 4.39Å; L33-W119 HydrophobicContact CB-CD2 3.79Å; L33-W119 HydrophobicContact CB-CE3 4.35Å; L33-W119 HydrophobicContact CB-CG 3.99Å; L33-W119 HydrophobicContact CB-CZ2 4.18Å; L33-W119 HydrophobicContact CD1-CB 4.33Å; L33-W119 HydrophobicContact CD1-CD2 3.88Å; L33-W119 HydrophobicContact CD1-CE3 3.75Å; L33-W119 HydrophobicContact CD1-CG 4.14Å; L33-W119 HydrophobicContact CD1-CZ3 4.33Å; L33-W119 HydrophobicContact CD2-CB 3.9Å; L33-W119 HydrophobicContact CD2-CD2 4.47Å; L33-W119 HydrophobicContact CD2-CG 3.94Å; L33-W119 HydrophobicContact CG-CD2 4.26Å; L33-W119 HydrophobicContact CG-CG 4.24Å
34	K	91.2	Very high	90.3	Very high	112 Å²	112	49 Å²	49	49%	0.487	23%	0.23	S	C	.	.	H	α-helix	trans	-70.1	-26.9	174.3	-73.9	171.1	178.2	171.4	0	114	E30 V32 W119	E30-K34 HydrophobicContact CG-CD 4.26Å; E30-K34 WeakPolarHBondContact O-CB 3.37Å; E30-K34 VanDerWaalsContact O-CG 3.25Å; E30-K34 WeakPolarHBondContact O-CG 3.36Å; E30-K34 PolarHBondContact O-N 3.24Å; E30-K34 WeakPolarHBondContact OE1-CE 3.35Å; E30-K34 IonicContact OE1-NZ 2.78Å; E30-K34 PolarHBondContact OE1-NZ 2.98Å; E30-K34 IonicContact OE2-NZ 3.16Å; E30-K34 PolarHBondContact OE2-NZ 2.76Å; V32-K34 VanDerWaalsContact C-N 3.3Å; V32-K34 PolarHBondContact O-N 3.21Å; K34-W119 HydrophobicContact CG-CH2 4.43Å; K34-W119 HydrophobicContact CG-CZ2 3.97Å
35	S	88.8	Confident	91.4	Very high	15 Å²	15	46.3 Å²	46.3	11%	0.105	21%	0.213	C	C	.	.	H	α-helix	trans	-77.4	-35.5	179.7	-59.5	0	0	0	0	112.3	E31 V32 L208 Q209	E31-S35 WeakPolarHBondContact O-CB 3.32Å; E31-S35 PolarHBondContact O-N 3.01Å; E31-S35 PolarHBondContact O-OG 2.9Å; V32-S35 WeakPolarHBondContact O-CB 3.41Å; V32-S35 PolarHBondContact O-N 2.9Å; S35-L208 WeakPolarHBondContact O-CD2 3.41Å; S35-Q209 WeakPolarHBondContact OG-CG 3.31Å; S35-Q209 PolarHBondContact OG-NE2 2.97Å
36	Y	85.8	Confident	92.1	Very high	27 Å²	27	36.2 Å²	36.2	11%	0.106	18%	0.175	C	C	.	.	H	α-helix	trans	-92.2	-17.7	178.3	-73	-92.3	0	0	0	113.9	V32 Q38 E204 L208 V252	V32-Y36 HydrophobicContact CG1-CD2 4.29Å; V32-Y36 HydrophobicContact CG1-CE2 4.44Å; V32-Y36 WeakPolarHBondContact O-CD2 3.31Å; V32-Y36 PolarHBondContact O-N 2.9Å; Y36-Q38 WeakPolarHBondContact O-CG 3.49Å; Y36-Q38 PolarHBondContact O-N 2.99Å; Y36-E204 WeakPolarHBondContact OH-CB 3.5Å; Y36-E204 PolarHBondContact OH-O 3.03Å; Y36-L208 HydrophobicContact CD1-CD2 3.63Å; Y36-L208 HydrophobicContact CD2-CD2 3.89Å; Y36-L208 HydrophobicContact CE1-CD2 3.58Å; Y36-L208 HydrophobicContact CE2-CD2 3.83Å; Y36-L208 HydrophobicContact CG-CD2 3.79Å; Y36-V252 HydrophobicContact CD1-CG2 3.78Å; Y36-V252 HydrophobicContact CE1-CG2 3.63Å
37	E	86.1	Confident	92.3	Very high	89 Å²	89	31.5 Å²	31.5	42%	0.416	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.9	34.5	-168.5	-68.9	-174.4	-130.8	0	0	112.7	L33 H244 R245	L33-E37 WeakPolarHBondContact O-CA 3.35Å; L33-E37 PolarHBondContact O-N 3.33Å; E37-H244 VanDerWaalsContact OE1-CB 3.25Å; E37-H244 WeakPolarHBondContact OE1-CB 3.42Å; E37-R245 HydrophobicContact CB-CB 4.19Å; E37-R245 HydrophobicContact CB-CG 3.93Å; E37-R245 PolarHBondContact OE1-N 2.84Å; E37-R245 WeakPolarHBondContact OE2-CB 3.18Å
38	Q	84.8	Confident	92.4	Very high	37 Å²	37	31.3 Å²	31.3	17%	0.173	15%	0.152	C	C	.	.	S	Bend	trans	-146.8	154.7	-173.4	-71.5	175.2	27.8	0	0	110.5	L33 Y36 M417	L33-Q38 WeakPolarHBondContact CD2-O 3.32Å; Y36-Q38 WeakPolarHBondContact O-CG 3.49Å; Y36-Q38 PolarHBondContact O-N 2.99Å; Q38-M417 VanDerWaalsContact OE1-CE 3.22Å
39	P	90.8	Very high	92.4	Very high	44 Å²	44	30.9 Å²	30.9	29%	0.286	15%	0.149	S	C	.	.	P	Polyproline II helix	trans	-72.9	161.2	173.3	32.1	-35	0	0	0	112.1	A116 L117 W119	P39-A116 VanDerWaalsContact CA-O 3.32Å; P39-A116 WeakPolarHBondContact CA-O 3.32Å; P39-A116 VanDerWaalsContact CB-O 3.24Å; P39-A116 WeakPolarHBondContact CB-O 3.21Å; P39-L117 WeakPolarHBondContact CB-O 3.47Å; P39-W119 HydrophobicContact CB-CB 4.06Å; P39-W119 WeakPolarHBondContact CD-O 3.36Å
40	I	92.5	Very high	92.4	Very high	3 Å²	3	31.8 Å²	31.8	2%	0.015	15%	0.153	C	C	.	.	P	Polyproline II helix	trans	-66.9	158.6	170.3	61.5	178.6	0	0	0	111.4	L29 L33 Q44 A45 A116 L117 R127	L29-I40 HydrophobicContact CD1-CG2 4Å; L33-I40 HydrophobicContact CD2-CG2 4.06Å; I40-Q44 HydrophobicContact CB-CB 4.05Å; I40-Q44 HydrophobicContact CG2-CB 4.5Å; I40-A45 HydrophobicContact CD1-CB 3.8Å; I40-A45 HydrophobicContact CG1-CB 4.39Å; I40-A116 HydrophobicContact CD1-CB 3.77Å; I40-A116 HydrophobicContact CG1-CB 3.99Å; I40-A116 PolarHBondContact N-O 3.42Å; I40-L117 HydrophobicContact CG1-CD2 4.09Å; I40-L117 HydrophobicContact CG1-CG 4.2Å; I40-R127 PolarHBondContact O-NH1 3.02Å
41	N	89.8	Confident	92.5	Very high	60 Å²	60	30.2 Å²	30.2	32%	0.321	15%	0.145	S	C	.	.	P	Polyproline II helix	trans	-86.4	170	169	71.7	41.4	0	0	0	111.6	E43 Q44 A45	N41-E43 PolarHBondContact O-N 3.48Å; N41-E43 WeakPolarHBondContact OD1-CB 3.41Å; N41-E43 PolarHBondContact OD1-N 3.06Å; N41-E43 VanDerWaalsContact OD1-N 3.08Å; N41-Q44 PolarHBondContact ND2-NE2 2.77Å; N41-Q44 PolarHBondContact O-N 2.95Å; N41-Q44 VanDerWaalsContact OD1-CG 3.31Å; N41-Q44 WeakPolarHBondContact OD1-CG 3.36Å; N41-Q44 PolarHBondContact OD1-N 2.96Å; N41-A45 PolarHBondContact O-N 3.18Å
42	E	90.8	Very high	92.5	Very high	46 Å²	46	26 Å²	26	22%	0.215	13%	0.126	C	C	.	.	H	α-helix	trans	-59.6	-44.2	-179	-67.8	-152.9	-159.6	0	0	113	Q44 A45 W46 S130 L133	E42-Q44 VanDerWaalsContact C-N 3.27Å; E42-Q44 PolarHBondContact O-N 3.08Å; E42-A45 WeakPolarHBondContact O-CA 3.43Å; E42-A45 WeakPolarHBondContact O-CB 3.31Å; E42-A45 PolarHBondContact O-N 2.67Å; E42-W46 PolarHBondContact O-N 2.95Å; E42-S130 VanDerWaalsContact OE1-CB 3.3Å; E42-S130 WeakPolarHBondContact OE1-CB 3.31Å; E42-S130 PolarHBondContact OE1-N 2.88Å; E42-S130 PolarHBondContact OE1-OG 3.37Å; E42-S130 VanDerWaalsContact OE2-CB 3.29Å; E42-S130 WeakPolarHBondContact OE2-CB 3.32Å; E42-S130 PolarHBondContact OE2-OG 2.85Å; E42-L133 HydrophobicContact CB-CD2 3.79Å; E42-L133 HydrophobicContact CG-CD2 3.45Å; E42-L133 VanDerWaalsContact CG-CD2 3.45Å; E42-L133 WeakPolarHBondContact OE2-CB 3.39Å; E42-L133 WeakPolarHBondContact OE2-CD2 3.41Å
43	E	91.4	Very high	92.4	Very high	33 Å²	33	25.8 Å²	25.8	15%	0.154	12%	0.124	C	C	.	.	H	α-helix	trans	-58.8	-41.7	-177.5	-163.9	62.8	-120.5	0	0	111.3	N41 W46 A47 R183 H193 V197 F279	N41-E43 PolarHBondContact O-N 3.48Å; N41-E43 WeakPolarHBondContact OD1-CB 3.41Å; N41-E43 PolarHBondContact OD1-N 3.06Å; N41-E43 VanDerWaalsContact OD1-N 3.08Å; E43-W46 PolarHBondContact O-N 3.13Å; E43-A47 WeakPolarHBondContact O-CB 3.44Å; E43-A47 PolarHBondContact O-N 3.17Å; E43-R183 IonicContact OE1-CZ 2.66Å; E43-R183 IonicContact OE1-NH2 2.62Å; E43-R183 PolarHBondContact OE1-NH2 2.75Å; E43-R183 IonicContact OE2-CZ 2.82Å; E43-R183 IonicContact OE2-NH2 3.59Å; E43-R183 PolarHBondContact OE2-NH2 2.74Å; E43-H193 IonicContact OE1-CD2 3.89Å; E43-H193 IonicContact OE1-CE1 2.62Å; E43-H193 IonicContact OE1-NE2 2.68Å; E43-H193 PolarHBondContact OE1-NE2 3.17Å; E43-V197 HydrophobicContact CG-CG1 4.34Å; E43-V197 HydrophobicContact CG-CG2 3.95Å; E43-F279 HydrophobicContact CG-CE2 4.14Å; E43-F279 HydrophobicContact CG-CZ 4.31Å
44	Q	94.7	Very high	92.3	Very high	33 Å²	33	27.1 Å²	27.1	15%	0.154	13%	0.134	C	C	.	.	H	α-helix	trans	-65.5	-41.1	173.8	-67.4	163.5	-13	0	0	111.8	I40 N41 E42 A47 V48 V197 L201	I40-Q44 HydrophobicContact CB-CB 4.05Å; I40-Q44 HydrophobicContact CG2-CB 4.5Å; N41-Q44 PolarHBondContact ND2-NE2 2.77Å; N41-Q44 PolarHBondContact O-N 2.95Å; N41-Q44 VanDerWaalsContact OD1-CG 3.31Å; N41-Q44 WeakPolarHBondContact OD1-CG 3.36Å; N41-Q44 PolarHBondContact OD1-N 2.96Å; E42-Q44 VanDerWaalsContact C-N 3.27Å; E42-Q44 PolarHBondContact O-N 3.08Å; Q44-A47 PolarHBondContact O-N 2.71Å; Q44-V48 WeakPolarHBondContact O-CB 3.45Å; Q44-V48 VanDerWaalsContact O-CG2 3.31Å; Q44-V48 WeakPolarHBondContact O-CG2 3.38Å; Q44-V48 PolarHBondContact O-N 2.99Å; Q44-V197 HydrophobicContact CG-CG1 4.1Å; Q44-L201 HydrophobicContact CB-CD2 4.21Å; Q44-L201 HydrophobicContact CG-CD2 4.03Å
45	A	96.1	Very high	92	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-63.6	-44.7	175.7	0	0	0	0	0	112.2	I40 N41 E42 A47 V48 C49 I113 L117 L133	I40-A45 HydrophobicContact CD1-CB 3.8Å; I40-A45 HydrophobicContact CG1-CB 4.39Å; N41-A45 PolarHBondContact O-N 3.18Å; E42-A45 WeakPolarHBondContact O-CA 3.43Å; E42-A45 WeakPolarHBondContact O-CB 3.31Å; E42-A45 PolarHBondContact O-N 2.67Å; A45-A47 VanDerWaalsContact C-N 3.34Å; A45-A47 PolarHBondContact O-N 2.8Å; A45-V48 PolarHBondContact O-N 2.85Å; A45-C49 VanDerWaalsContact O-CB 3.31Å; A45-C49 WeakPolarHBondContact O-CB 3.35Å; A45-C49 PolarHBondContact O-N 3.03Å; A45-I113 HydrophobicContact CB-CG2 3.85Å; A45-L117 HydrophobicContact CB-CD1 3.97Å; A45-L117 HydrophobicContact CB-CD2 3.97Å; A45-L117 HydrophobicContact CB-CG 4.15Å; A45-L133 HydrophobicContact CB-CD2 4.39Å
46	W	96	Very high	91.8	Very high	5 Å²	5	24 Å²	24	2%	0.019	13%	0.128	C	C	.	.	H	α-helix	trans	-60.8	-41.6	173.1	-74.3	108.4	0	0	0	112	E42 E43 C49 Y50 Q132 L133 L136 C180 R183 Y194	E42-W46 PolarHBondContact O-N 2.95Å; E43-W46 PolarHBondContact O-N 3.13Å; W46-C49 WeakPolarHBondContact O-CB 3.16Å; W46-Y50 WeakPolarHBondContact O-CB 3.14Å; W46-Y50 PolarHBondContact O-N 3.31Å; W46-Q132 HydrophobicContact CH2-CB 4.32Å; W46-Q132 WeakPolarHBondContact CH2-O 3.08Å; W46-Q132 HydrophobicContact CZ2-CB 3.95Å; W46-L133 HydrophobicContact CD2-CD1 4.11Å; W46-L133 HydrophobicContact CG-CD1 4.41Å; W46-L133 VanDerWaalsContact CZ2-CA 3.46Å; W46-L133 HydrophobicContact CZ2-CB 3.8Å; W46-L133 HydrophobicContact CZ2-CD1 4.2Å; W46-L136 HydrophobicContact CE3-CD2 3.74Å; W46-L136 HydrophobicContact CH2-CB 4.14Å; W46-L136 HydrophobicContact CH2-CD2 4.1Å; W46-L136 HydrophobicContact CZ3-CB 4.3Å; W46-L136 HydrophobicContact CZ3-CD2 3.44Å; W46-L136 VanDerWaalsContact CZ3-CD2 3.44Å; W46-L136 HydrophobicContact CZ3-CG 4.41Å; W46-C180 HydrophobicContact CE3-CB 4.08Å; W46-C180 HydrophobicContact CZ3-CB 4.41Å; W46-R183 VanDerWaalsContact CG-NE 3.28Å; W46-Y194 HydrophobicContact CB-CE1 3.79Å
47	A	96.6	Very high	91.4	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-65	-46.8	177.7	0	0	0	0	0	112.7	E43 Q44 A45 Y50 Q51 Y194 V197	E43-A47 WeakPolarHBondContact O-CB 3.44Å; E43-A47 PolarHBondContact O-N 3.17Å; Q44-A47 PolarHBondContact O-N 2.71Å; A45-A47 VanDerWaalsContact C-N 3.34Å; A45-A47 PolarHBondContact O-N 2.8Å; A47-Y50 PolarHBondContact O-N 3.11Å; A47-Q51 WeakPolarHBondContact O-CB 3.22Å; A47-Q51 WeakPolarHBondContact O-CG 3.37Å; A47-Q51 PolarHBondContact O-N 2.75Å; A47-Y194 VanDerWaalsContact CA-CD1 3.43Å; A47-Y194 HydrophobicContact CB-CD1 3.69Å; A47-Y194 HydrophobicContact CB-CG 4.28Å; A47-V197 HydrophobicContact CB-CB 3.7Å; A47-V197 HydrophobicContact CB-CG1 3.54Å
48	V	97.1	Very high	90.8	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-64.4	-42.5	177.3	172	0	0	0	0	110.9	L29 Q44 A45 Y50 C52 I75 V83 I113	L29-V48 HydrophobicContact CD2-CG1 4.49Å; Q44-V48 WeakPolarHBondContact O-CB 3.45Å; Q44-V48 VanDerWaalsContact O-CG2 3.31Å; Q44-V48 WeakPolarHBondContact O-CG2 3.38Å; Q44-V48 PolarHBondContact O-N 2.99Å; A45-V48 PolarHBondContact O-N 2.85Å; V48-Y50 PolarHBondContact O-N 3.17Å; V48-C52 WeakPolarHBondContact O-CB 3.23Å; V48-C52 PolarHBondContact O-N 2.96Å; V48-I75 HydrophobicContact CG1-CD1 4.46Å; V48-I75 HydrophobicContact CG1-CG2 3.88Å; V48-V83 HydrophobicContact CG1-CG1 4.45Å; V48-I113 HydrophobicContact CB-CD1 4.49Å; V48-I113 HydrophobicContact CG1-CD1 3.91Å; V48-I113 HydrophobicContact CG1-CG1 4.18Å
49	C	95.5	Very high	89.4	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-53.1	-52.9	170.2	-94	0	0	0	0	111.7	A45 W46 C53 I113 L136 V176	A45-C49 VanDerWaalsContact O-CB 3.31Å; A45-C49 WeakPolarHBondContact O-CB 3.35Å; A45-C49 PolarHBondContact O-N 3.03Å; W46-C49 WeakPolarHBondContact O-CB 3.16Å; C49-C53 VanDerWaalsContact O-CB 3.27Å; C49-C53 WeakPolarHBondContact O-CB 3.27Å; C49-C53 PolarHBondContact O-N 3.12Å; C49-C53 VanDerWaalsContact O-N 3.14Å; C49-C53 PolarHBondContact O-SG 3.31Å; C49-I113 HydrophobicContact CB-CD1 4.25Å; C49-I113 WeakPolarHBondContact SG-CD1 3.1Å; C49-L136 HydrophobicContact CB-CD2 4.49Å; C49-V176 HydrophobicContact CB-CG1 4.28Å
50	Y	96.5	Very high	87.9	Confident	20 Å²	20	36.7 Å²	36.7	8%	0.078	19%	0.192	C	C	.	.	H	α-helix	trans	-65.7	-50.4	-176.4	-178	-82.9	0	0	0	112.3	W46 A47 V48 S54 V177 C180 A181 A190 P191 Y194	W46-Y50 WeakPolarHBondContact O-CB 3.14Å; W46-Y50 PolarHBondContact O-N 3.31Å; A47-Y50 PolarHBondContact O-N 3.11Å; V48-Y50 PolarHBondContact O-N 3.17Å; Y50-S54 WeakPolarHBondContact CE1-OG 3.41Å; Y50-S54 WeakPolarHBondContact O-CB 3.07Å; Y50-S54 PolarHBondContact O-N 3.17Å; Y50-S54 PolarHBondContact O-OG 3.45Å; Y50-V177 HydrophobicContact CD2-CG1 4.14Å; Y50-V177 HydrophobicContact CE2-CG1 3.62Å; Y50-C180 HydrophobicContact CD2-CB 3.78Å; Y50-C180 HydrophobicContact CG-CB 4.39Å; Y50-A181 HydrophobicContact CE2-CB 4.29Å; Y50-A190 HydrophobicContact CD2-CB 4.34Å; Y50-A190 HydrophobicContact CE2-CB 3.62Å; Y50-P191 WeakPolarHBondContact OH-CG 3.43Å; Y50-Y194 AromaticContact CD1-CD2 3.72Å; Y50-Y194 HydrophobicContact CD1-CD2 3.72Å; Y50-Y194 HydrophobicContact CD1-CG 4.18Å; Y50-Y194 AromaticContact CD2-CD2 3.48Å; Y50-Y194 HydrophobicContact CD2-CD2 3.48Å; Y50-Y194 VanDerWaalsContact CD2-CD2 3.48Å; Y50-Y194 AromaticContact CD2-CE2 3.77Å; Y50-Y194 HydrophobicContact CD2-CE2 3.77Å; Y50-Y194 HydrophobicContact CE1-CD2 4.32Å; Y50-Y194 HydrophobicContact CE2-CD2 4.09Å; Y50-Y194 HydrophobicContact CE2-CE2 4.44Å; Y50-Y194 AromaticContact CG-CD2 3.27Å; Y50-Y194 HydrophobicContact CG-CD2 3.27Å; Y50-Y194 AromaticContact CG-CE2 3.96Å; Y50-Y194 HydrophobicContact CG-CE2 3.96Å; Y50-Y194 AromaticContact CG-CG 3.97Å; Y50-Y194 HydrophobicContact CG-CG 3.97Å
51	Q	96.1	Very high	86	Confident	17 Å²	17	40.7 Å²	40.7	8%	0.079	22%	0.218	C	C	.	.	H	α-helix	trans	-69.6	-42.2	-174.4	-70.8	-68	79.5	0	0	111.6	A47 S54 G55 G81 V83	A47-Q51 WeakPolarHBondContact O-CB 3.22Å; A47-Q51 WeakPolarHBondContact O-CG 3.37Å; A47-Q51 PolarHBondContact O-N 2.75Å; Q51-S54 PolarHBondContact O-N 2.83Å; Q51-G55 PolarHBondContact O-N 2.82Å; Q51-G81 PolarHBondContact NE2-O 3.04Å; Q51-V83 HydrophobicContact CB-CB 3.79Å; Q51-V83 HydrophobicContact CB-CG2 3.66Å
52	C	93.9	Very high	84.1	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-63	-47.7	176	-171.6	0	0	0	0	111.1	V48 S54 G55 L56 V83 L109	V48-C52 WeakPolarHBondContact O-CB 3.23Å; V48-C52 PolarHBondContact O-N 2.96Å; C52-S54 VanDerWaalsContact C-N 3.29Å; C52-S54 PolarHBondContact O-N 3.3Å; C52-G55 PolarHBondContact O-N 2.98Å; C52-L56 WeakPolarHBondContact O-CB 3.22Å; C52-L56 VanDerWaalsContact O-CG 3.25Å; C52-L56 WeakPolarHBondContact O-CG 3.17Å; C52-L56 PolarHBondContact O-N 2.92Å; C52-V83 HydrophobicContact CB-CB 4.39Å; C52-V83 HydrophobicContact CB-CG1 3.86Å; C52-L109 HydrophobicContact CB-CD1 4.36Å; C52-L109 HydrophobicContact CB-CD2 4.09Å
53	C	93.3	Very high	82.2	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-68.5	-25.4	177.3	-68.1	0	0	0	0	113.5	C49 R57 L109 F173 V176 V177	C49-C53 VanDerWaalsContact O-CB 3.27Å; C49-C53 WeakPolarHBondContact O-CB 3.27Å; C49-C53 PolarHBondContact O-N 3.12Å; C49-C53 VanDerWaalsContact O-N 3.14Å; C49-C53 PolarHBondContact O-SG 3.31Å; C53-R57 VanDerWaalsContact O-CD 3.27Å; C53-R57 WeakPolarHBondContact O-CD 3.41Å; C53-R57 VanDerWaalsContact O-CG 3.25Å; C53-R57 WeakPolarHBondContact O-CG 3.45Å; C53-L109 VanDerWaalsContact SG-CD2 3.57Å; C53-F173 HydrophobicContact CB-CB 4.05Å; C53-F173 HydrophobicContact CB-CD1 4.48Å; C53-F173 WeakPolarHBondContact O-CB 3.31Å; C53-V176 HydrophobicContact CB-CB 4.11Å; C53-V176 HydrophobicContact CB-CG1 4.17Å; C53-V176 VanDerWaalsContact SG-CG1 3.58Å; C53-V177 HydrophobicContact CB-CG2 3.64Å
54	S	91.2	Very high	80.4	Confident	29 Å²	29	47 Å²	47	20%	0.203	28%	0.276	C	S	.	.	H	α-helix	trans	-75.2	-46	174.3	-64.4	0	0	0	0	111.5	Y50 Q51 C52 L56 R57 V177	Y50-S54 WeakPolarHBondContact CE1-OG 3.41Å; Y50-S54 WeakPolarHBondContact O-CB 3.07Å; Y50-S54 PolarHBondContact O-N 3.17Å; Y50-S54 PolarHBondContact O-OG 3.45Å; Q51-S54 PolarHBondContact O-N 2.83Å; C52-S54 VanDerWaalsContact C-N 3.29Å; C52-S54 PolarHBondContact O-N 3.3Å; S54-L56 VanDerWaalsContact C-N 3.32Å; S54-L56 PolarHBondContact O-N 3.28Å; S54-R57 WeakPolarHBondContact O-CB 3.47Å; S54-R57 PolarHBondContact O-N 2.78Å; S54-R57 VanDerWaalsContact O-N 3.09Å; S54-V177 WeakPolarHBondContact OG-CG2 3.42Å
55	G	85.1	Confident	78.8	Confident	29 Å²	29	51.8 Å²	51.8	30%	0.299	29%	0.293	S	S	.	.	H	α-helix	trans	-60.1	-39.4	175.8	0	0	0	0	0	113	Q51 C52 R57 V58	Q51-G55 PolarHBondContact O-N 2.82Å; C52-G55 PolarHBondContact O-N 2.98Å; G55-R57 PolarHBondContact O-N 2.99Å; G55-R57 VanDerWaalsContact O-N 3.17Å; G55-V58 PolarHBondContact O-N 2.66Å
56	L	84.1	Confident	77.2	Confident	33 Å²	33	54.3 Å²	54.3	17%	0.173	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-6.1	176.4	-69.1	170.4	0	0	0	114.6	C52 S54 P66 L85 F173	C52-L56 WeakPolarHBondContact O-CB 3.22Å; C52-L56 VanDerWaalsContact O-CG 3.25Å; C52-L56 WeakPolarHBondContact O-CG 3.17Å; C52-L56 PolarHBondContact O-N 2.92Å; S54-L56 VanDerWaalsContact C-N 3.32Å; S54-L56 PolarHBondContact O-N 3.28Å; L56-P66 HydrophobicContact CD2-CB 3.63Å; L56-P66 HydrophobicContact CD2-CG 4.07Å; L56-L85 HydrophobicContact CD1-CD1 3.91Å; L56-L85 HydrophobicContact CD1-CG 4.33Å; L56-L85 HydrophobicContact CD2-CD1 4.22Å; L56-F173 HydrophobicContact CB-CD1 4.31Å; L56-F173 HydrophobicContact CB-CD2 4.07Å; L56-F173 HydrophobicContact CB-CE1 4.31Å; L56-F173 HydrophobicContact CB-CE2 4.06Å; L56-F173 HydrophobicContact CB-CG 4.21Å; L56-F173 HydrophobicContact CB-CZ 4.19Å; L56-F173 HydrophobicContact CD1-CD1 4.1Å; L56-F173 HydrophobicContact CD1-CE1 3.66Å; L56-F173 HydrophobicContact CD1-CZ 3.98Å
57	R	77.8	Confident	75.7	Confident	118 Å²	118	54.4 Å²	54.4	45%	0.445	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-9.6	174.8	-69.3	167.5	65.5	-168	-5.6	113.5	C53 S54 G55 F173	C53-R57 VanDerWaalsContact O-CD 3.27Å; C53-R57 WeakPolarHBondContact O-CD 3.41Å; C53-R57 VanDerWaalsContact O-CG 3.25Å; C53-R57 WeakPolarHBondContact O-CG 3.45Å; S54-R57 WeakPolarHBondContact O-CB 3.47Å; S54-R57 PolarHBondContact O-N 2.78Å; S54-R57 VanDerWaalsContact O-N 3.09Å; G55-R57 PolarHBondContact O-N 2.99Å; G55-R57 VanDerWaalsContact O-N 3.17Å; R57-F173 HydrophobicContact CG-CB 3.74Å; R57-F173 HydrophobicContact CG-CD2 4.49Å
58	V	72	Confident	74.8	Confident	103 Å²	103	61.9 Å²	61.9	62%	0.624	34%	0.34	S	S	*	.	S	Bend	trans	-85.7	130.2	176.3	-176	0	0	0	0	109.3	G55 R60	G55-V58 PolarHBondContact O-N 2.66Å; V58-R60 PolarHBondContact O-N 3.07Å; V58-R60 VanDerWaalsContact O-N 3.09Å
59	P	56.8	Low	74.2	Confident	123 Å²	123	62.1 Å²	62.1	80%	0.799	34%	0.341	S	S	*	.			trans	-62.1	111.9	174.8	-22.9	34.3	0	0	0	111.8
60	R	59	Low	73.6	Confident	118 Å²	118	67.1 Å²	67.1	45%	0.445	36%	0.363	S	S	.	.			trans	-70.8	152.1	169.2	-100.1	174.8	156.7	74	-6.9	110.9	V58 E87	V58-R60 PolarHBondContact O-N 3.07Å; V58-R60 VanDerWaalsContact O-N 3.09Å; R60-E87 IonicContact CZ-OE1 2.62Å; R60-E87 IonicContact NE-OE1 2.59Å; R60-E87 PolarHBondContact NE-OE1 3.45Å; R60-E87 IonicContact NH2-OE1 2.97Å; R60-E87 PolarHBondContact NH2-OE1 3.36Å
61	P	53	Low	73.2	Confident	88 Å²	88	68.3 Å²	68.3	57%	0.571	37%	0.37	S	S	*	.			trans	-60.1	162.2	163.1	28.5	-35.2	0	0	0	110.9	S63	P61-S63 PolarHBondContact O-N 3.21Å
62	P	49.7	Very low	73.1	Confident	142 Å²	142	67.8 Å²	67.8	92%	0.922	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	7.3	-168.4	28.1	-37	0	0	0	116.1	G64	P62-G64 PolarHBondContact O-N 3.26Å
63	S	50.9	Low	73	Confident	103 Å²	103	69.2 Å²	69.2	72%	0.72	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-3.6	-172.2	54.9	0	0	0	0	115.7	P61	P61-S63 PolarHBondContact O-N 3.21Å
64	G	53.5	Low	73	Confident	25 Å²	25	69.8 Å²	69.8	26%	0.258	38%	0.382	S	S	.	.			trans	-165.7	136.7	179.3	0	0	0	0	0	114.3	P62	P62-G64 PolarHBondContact O-N 3.26Å
65	R	60.8	Low	73.2	Confident	135 Å²	135	68.4 Å²	68.4	51%	0.509	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-85.1	144.5	159.6	-70.3	-177.3	176.2	-168.2	-3.2	108.1	G67 V95	R65-G67 PolarHBondContact O-N 3.14Å; R65-V95 PolarHBondContact NH2-O 2.83Å
66	P	62.3	Low	73.6	Confident	52 Å²	52	67.6 Å²	67.6	34%	0.338	36%	0.362	S	S	.	.	B	Isolated β-bridge	trans	-60	131.8	172.5	26.3	-33.7	0	0	0	109.8	L56 L85 L105	L56-P66 HydrophobicContact CD2-CB 3.63Å; L56-P66 HydrophobicContact CD2-CG 4.07Å; P66-L85 HydrophobicContact CB-CD1 4.48Å; P66-L105 HydrophobicContact CG-CD1 4.12Å
67	G	64.9	Low	74.2	Confident	7 Å²	7	66 Å²	66	7%	0.072	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-64.7	156.9	179.3	0	0	0	0	0	112.3	R65 V69 K86	R65-G67 PolarHBondContact O-N 3.14Å; G67-V69 PolarHBondContact O-N 2.83Å; G67-K86 WeakPolarHBondContact CA-O 3.34Å; G67-K86 PolarHBondContact N-O 3.22Å
68	R	77.5	Confident	75	Confident	158 Å²	158	62.2 Å²	62.2	60%	0.596	34%	0.341	S	S	*	.	P	Polyproline II helix	trans	-67.4	126.4	173.7	168.7	176.5	-83.6	-153.3	-5.2	108.9	K70	R68-K70 HydrophobicContact CG-CG 4.31Å; R68-K70 PolarHBondContact O-N 3.31Å
69	V	84.7	Confident	75.9	Confident	4 Å²	4	63.8 Å²	63.8	2%	0.024	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-65.3	125.2	168.1	-158	0	0	0	0	108.6	G67 I75 L85 L105 S108 L109 A112	G67-V69 PolarHBondContact O-N 2.83Å; V69-I75 HydrophobicContact CG1-CG1 4.32Å; V69-L85 HydrophobicContact CG2-CD1 3.57Å; V69-L85 HydrophobicContact CG2-CD2 3.68Å; V69-L85 HydrophobicContact CG2-CG 4.26Å; V69-L105 HydrophobicContact CG2-CD2 4.42Å; V69-S108 WeakPolarHBondContact O-CB 3.23Å; V69-L109 HydrophobicContact CG2-CB 4.37Å; V69-A112 HydrophobicContact CG1-CB 3.55Å
70	K	82.4	Confident	77.6	Confident	105 Å²	105	61.8 Å²	61.8	46%	0.457	32%	0.318	S	S	.	.			trans	-113.3	-34.1	177.4	-65	169.9	-165.9	171.1	0	111.6	R68 S74 E88 R115	R68-K70 HydrophobicContact CG-CG 4.31Å; R68-K70 PolarHBondContact O-N 3.31Å; K70-S74 PolarHBondContact N-OG 3.13Å; K70-S74 VanDerWaalsContact N-OG 3.08Å; K70-E88 WeakPolarHBondContact CE-OE2 3.3Å; K70-E88 IonicContact NZ-OE1 3.75Å; K70-E88 PolarHBondContact NZ-OE1 3.34Å; K70-E88 IonicContact NZ-OE2 2.75Å; K70-E88 PolarHBondContact NZ-OE2 3.1Å; K70-R115 PolarHBondContact O-NH1 2.88Å
71	D	88.4	Confident	79.1	Confident	45 Å²	45	56.2 Å²	56.2	24%	0.241	30%	0.297	C	S	.	.	S	Bend	trans	-171.1	173.5	-168.6	61.8	82.5	0	0	0	109.2	S73 S74	D71-S73 PolarHBondContact O-N 2.85Å; D71-S73 VanDerWaalsContact O-N 3.13Å; D71-S73 WeakPolarHBondContact OD1-CA 3.22Å; D71-S73 WeakPolarHBondContact OD1-CB 3.49Å; D71-S73 PolarHBondContact OD1-N 3.15Å; D71-S73 PolarHBondContact OD1-OG 3.48Å; D71-S74 WeakPolarHBondContact O-CB 3.27Å; D71-S74 PolarHBondContact O-N 3.41Å; D71-S74 PolarHBondContact O-OG 3.02Å
72	P	92.9	Very high	81.1	Confident	6 Å²	6	54.5 Å²	54.5	4%	0.039	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-55.4	-25.6	179.8	-29.3	37.5	0	0	0	116.2	L29 E30 L33 S74 I75 R115 A116	L29-P72 HydrophobicContact CB-CB 4.19Å; L29-P72 WeakPolarHBondContact CB-O 3.47Å; L29-P72 HydrophobicContact CD2-CB 4.29Å; L29-P72 HydrophobicContact CG-CB 4.24Å; E30-P72 HydrophobicContact CB-CB 4.22Å; L33-P72 HydrophobicContact CD1-CB 4.01Å; L33-P72 HydrophobicContact CD1-CG 4.12Å; P72-S74 PolarHBondContact O-N 3.03Å; P72-I75 PolarHBondContact O-N 2.85Å; P72-I75 VanDerWaalsContact O-N 3.09Å; P72-R115 HydrophobicContact CG-CB 4.47Å; P72-A116 HydrophobicContact CG-CB 4.5Å
73	S	92.7	Very high	83.2	Confident	30 Å²	30	48 Å²	48	21%	0.21	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-69.2	-13.6	177.7	78.8	0	0	0	0	113	D71 I75	D71-S73 PolarHBondContact O-N 2.85Å; D71-S73 VanDerWaalsContact O-N 3.13Å; D71-S73 WeakPolarHBondContact OD1-CA 3.22Å; D71-S73 WeakPolarHBondContact OD1-CB 3.49Å; D71-S73 PolarHBondContact OD1-N 3.15Å; D71-S73 PolarHBondContact OD1-OG 3.48Å; S73-I75 VanDerWaalsContact C-N 3.31Å
74	S	92.7	Very high	85.2	Confident	12 Å²	12	44 Å²	44	8%	0.084	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-76.8	-15.4	173.4	-53.2	0	0	0	0	113.2	K70 D71 P72 L85 K86	K70-S74 PolarHBondContact N-OG 3.13Å; K70-S74 VanDerWaalsContact N-OG 3.08Å; D71-S74 WeakPolarHBondContact O-CB 3.27Å; D71-S74 PolarHBondContact O-N 3.41Å; D71-S74 PolarHBondContact O-OG 3.02Å; P72-S74 PolarHBondContact O-N 3.03Å; S74-L85 WeakPolarHBondContact O-CA 3.32Å; S74-K86 PolarHBondContact O-N 2.81Å
75	I	95.4	Very high	87	Confident	0 Å²	0	43 Å²	43	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	123.3	-176.8	-57.5	172.9	0	0	0	108.5	S28 L29 V48 V69 P72 S73 V83 L85 L109 A112 I113	S28-I75 CarbonylContact C-O 3.59Å; S28-I75 VanDerWaalsContact CA-O 3.26Å; S28-I75 WeakPolarHBondContact CA-O 3.45Å; L29-I75 HydrophobicContact CB-CB 4.11Å; L29-I75 HydrophobicContact CB-CG2 4.33Å; L29-I75 HydrophobicContact CD2-CD1 4.01Å; L29-I75 PolarHBondContact N-O 3.19Å; V48-I75 HydrophobicContact CG1-CD1 4.46Å; V48-I75 HydrophobicContact CG1-CG2 3.88Å; V69-I75 HydrophobicContact CG1-CG1 4.32Å; P72-I75 PolarHBondContact O-N 2.85Å; P72-I75 VanDerWaalsContact O-N 3.09Å; S73-I75 VanDerWaalsContact C-N 3.31Å; I75-V83 HydrophobicContact CG2-CG1 3.63Å; I75-L85 HydrophobicContact CG1-CD2 4.17Å; I75-L109 HydrophobicContact CD1-CD1 3.76Å; I75-L109 HydrophobicContact CG1-CD1 4.23Å; I75-A112 HydrophobicContact CD1-CB 4.01Å; I75-I113 HydrophobicContact CD1-CG1 4.17Å
76	L	94.9	Very high	88.2	Confident	13 Å²	13	42.2 Å²	42.2	7%	0.068	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	123.7	-176.5	-54.9	177.1	0	0	0	110.4	L27 V83 S84 K86	L27-L76 CarbonylContact O-C 3.59Å; L27-L76 WeakPolarHBondContact O-CA 3.4Å; L76-V83 CarbonylContact O-C 3.48Å; L76-V83 VanDerWaalsContact O-CA 3.3Å; L76-V83 WeakPolarHBondContact O-CA 3.21Å; L76-S84 PolarHBondContact N-O 3.5Å; L76-S84 PolarHBondContact O-N 2.81Å; L76-K86 HydrophobicContact CD1-CB 3.94Å; L76-K86 HydrophobicContact CD1-CG 4.25Å; L76-K86 HydrophobicContact CG-CB 4.2Å
77	L	95.9	Very high	89	Confident	0 Å²	0	44 Å²	44	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	139.7	171.6	-60.9	88.5	0	0	0	109.4	E26 L27 L29 V32 V83 L201 F202	E26-L77 CarbonylContact C-O 3.53Å; E26-L77 VanDerWaalsContact CA-O 3.25Å; E26-L77 WeakPolarHBondContact CA-O 3.29Å; L27-L77 PolarHBondContact N-O 2.71Å; L27-L77 PolarHBondContact O-N 2.83Å; L29-L77 HydrophobicContact CB-CD1 4.04Å; L29-L77 HydrophobicContact CD1-CD1 4.23Å; V32-L77 HydrophobicContact CG2-CD1 4.28Å; L77-V83 HydrophobicContact CG-CG2 4.37Å; L77-L201 HydrophobicContact CD2-CB 4.47Å; L77-L201 HydrophobicContact CD2-CD2 3.84Å; L77-L201 HydrophobicContact CD2-CG 4.15Å; L77-F202 HydrophobicContact CB-CD2 4.12Å; L77-F202 WeakPolarHBondContact O-CD2 3.13Å; L77-F202 WeakPolarHBondContact O-CE2 3.42Å
78	H	94.5	Very high	88.9	Confident	38 Å²	38	48.1 Å²	48.1	18%	0.176	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	158.3	179.5	-67.1	-83.9	0	0	0	112.1	E26 D80 G81 T82 S84	E26-H78 IonicContact OE2-CE1 2.89Å; E26-H78 PolarHBondContact OE2-CE1 3.35Å; H78-D80 WeakPolarHBondContact CB-OD1 3.39Å; H78-D80 PolarHBondContact O-N 3.22Å; H78-D80 VanDerWaalsContact O-N 3.11Å; H78-G81 PolarHBondContact O-N 3.34Å; H78-T82 PolarHBondContact N-O 3.39Å; H78-S84 PolarHBondContact NE2-OG 3.42Å
79	R	91	Very high	87.8	Confident	136 Å²	136	46.7 Å²	46.7	51%	0.513	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-26.1	-179.7	-169.1	-179.5	-167.2	143.6	7.9	115	E23 G81 F202	E23-R79 IonicContact OE2-CZ 2.68Å; E23-R79 IonicContact OE2-NH1 3.88Å; E23-R79 PolarHBondContact OE2-NH1 2.98Å; E23-R79 IonicContact OE2-NH2 3.16Å; E23-R79 PolarHBondContact OE2-NH2 3.49Å; R79-G81 VanDerWaalsContact C-N 3.29Å; R79-F202 VanDerWaalsContact CA-CE1 3.49Å; R79-F202 HydrophobicContact CB-CD1 4.15Å; R79-F202 HydrophobicContact CB-CE1 3.58Å; R79-F202 HydrophobicContact CB-CZ 3.97Å; R79-F202 HydrophobicContact CG-CD1 4.34Å; R79-F202 HydrophobicContact CG-CE1 3.85Å
80	D	91.6	Very high	86.4	Confident	81 Å²	81	54.3 Å²	54.3	43%	0.433	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-3.2	177	67.3	-7.4	0	0	0	113.5	H78 T82 Q195	H78-D80 WeakPolarHBondContact CB-OD1 3.39Å; H78-D80 PolarHBondContact O-N 3.22Å; H78-D80 VanDerWaalsContact O-N 3.11Å; D80-T82 WeakPolarHBondContact OD1-CB 3.43Å; D80-T82 WeakPolarHBondContact OD1-CG2 3.49Å; D80-T82 PolarHBondContact OD1-N 3.32Å; D80-T82 PolarHBondContact OD1-OG1 3.31Å; D80-T82 WeakPolarHBondContact OD2-CG2 3.3Å; D80-T82 PolarHBondContact OD2-OG1 3.22Å; D80-Q195 VanDerWaalsContact O-CG 3.23Å; D80-Q195 WeakPolarHBondContact O-CG 3.43Å; D80-Q195 PolarHBondContact O-NE2 2.93Å
81	G	91.3	Very high	84.6	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	28%	0.282	C	S	.	.	S	Bend	trans	83.4	8.6	-174.7	0	0	0	0	0	114.4	Q51 H78 R79 C198	Q51-G81 PolarHBondContact NE2-O 3.04Å; H78-G81 PolarHBondContact O-N 3.34Å; R79-G81 VanDerWaalsContact C-N 3.29Å; G81-C198 VanDerWaalsContact O-CB 3.29Å; G81-C198 WeakPolarHBondContact O-CB 3.33Å
82	T	94.3	Very high	82.4	Confident	53 Å²	53	59.5 Å²	59.5	33%	0.325	31%	0.31	S	S	.	.			trans	-76.4	158.5	166.7	63.6	0	0	0	0	111.1	H78 D80	H78-T82 PolarHBondContact N-O 3.39Å; D80-T82 WeakPolarHBondContact OD1-CB 3.43Å; D80-T82 WeakPolarHBondContact OD1-CG2 3.49Å; D80-T82 PolarHBondContact OD1-N 3.32Å; D80-T82 PolarHBondContact OD1-OG1 3.31Å; D80-T82 WeakPolarHBondContact OD2-CG2 3.3Å; D80-T82 PolarHBondContact OD2-OG1 3.22Å
83	V	95.3	Very high	80.2	Confident	5 Å²	5	64.2 Å²	64.2	3%	0.03	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	133.7	178.1	179.3	0	0	0	0	109	V48 Q51 C52 I75 L76 L77 C198	V48-V83 HydrophobicContact CG1-CG1 4.45Å; Q51-V83 HydrophobicContact CB-CB 3.79Å; Q51-V83 HydrophobicContact CB-CG2 3.66Å; C52-V83 HydrophobicContact CB-CB 4.39Å; C52-V83 HydrophobicContact CB-CG1 3.86Å; I75-V83 HydrophobicContact CG2-CG1 3.63Å; L76-V83 CarbonylContact O-C 3.48Å; L76-V83 VanDerWaalsContact O-CA 3.3Å; L76-V83 WeakPolarHBondContact O-CA 3.21Å; L77-V83 HydrophobicContact CG-CG2 4.37Å; V83-C198 HydrophobicContact CG2-CB 4.2Å
84	S	91.9	Very high	78.1	Confident	18 Å²	18	73.1 Å²	73.1	13%	0.126	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	159.9	178	64.6	0	0	0	0	112	L76 H78	L76-S84 PolarHBondContact N-O 3.5Å; L76-S84 PolarHBondContact O-N 2.81Å; H78-S84 PolarHBondContact NE2-OG 3.42Å
85	L	90.5	Very high	75.8	Confident	5 Å²	5	75.6 Å²	75.6	3%	0.026	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	142.4	165.6	-61.2	-177.7	0	0	0	110.4	L56 P66 V69 S74 I75 E87 L105	L56-L85 HydrophobicContact CD1-CD1 3.91Å; L56-L85 HydrophobicContact CD1-CG 4.33Å; L56-L85 HydrophobicContact CD2-CD1 4.22Å; P66-L85 HydrophobicContact CB-CD1 4.48Å; V69-L85 HydrophobicContact CG2-CD1 3.57Å; V69-L85 HydrophobicContact CG2-CD2 3.68Å; V69-L85 HydrophobicContact CG2-CG 4.26Å; S74-L85 WeakPolarHBondContact O-CA 3.32Å; I75-L85 HydrophobicContact CG1-CD2 4.17Å; L85-E87 PolarHBondContact O-N 2.96Å; L85-L105 HydrophobicContact CD1-CD2 4.18Å
86	K	86.6	Confident	73.5	Confident	119 Å²	119	82.2 Å²	82.2	52%	0.517	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-60	131.5	173.1	-169.6	169.8	-174.7	169.2	0	110	G67 S74 L76	G67-K86 WeakPolarHBondContact CA-O 3.34Å; G67-K86 PolarHBondContact N-O 3.22Å; S74-K86 PolarHBondContact O-N 2.81Å; L76-K86 HydrophobicContact CD1-CB 3.94Å; L76-K86 HydrophobicContact CD1-CG 4.25Å; L76-K86 HydrophobicContact CG-CB 4.2Å
87	E	78.5	Confident	71.2	Confident	89 Å²	89	86.8 Å²	86.8	42%	0.416	44%	0.439	S	S	.	.	B	Isolated β-bridge	trans	-81.5	130.7	-179.8	-65.1	-179	-172	0	0	109.7	R60 L85	R60-E87 IonicContact CZ-OE1 2.62Å; R60-E87 IonicContact NE-OE1 2.59Å; R60-E87 PolarHBondContact NE-OE1 3.45Å; R60-E87 IonicContact NH2-OE1 2.97Å; R60-E87 PolarHBondContact NH2-OE1 3.36Å; L85-E87 PolarHBondContact O-N 2.96Å
88	E	64.8	Low	69.1	Low	94 Å²	94	95 Å²	95	44%	0.439	48%	0.475	S	S	.	.			trans	-111.3	118.5	-177.4	-178.6	162.8	-143	0	0	109.2	K70 Q90	K70-E88 WeakPolarHBondContact CE-OE2 3.3Å; K70-E88 IonicContact NZ-OE1 3.75Å; K70-E88 PolarHBondContact NZ-OE1 3.34Å; K70-E88 IonicContact NZ-OE2 2.75Å; K70-E88 PolarHBondContact NZ-OE2 3.1Å; E88-Q90 PolarHBondContact O-N 2.92Å
89	P	53.8	Low	66.9	Low	128 Å²	128	98.6 Å²	98.6	83%	0.831	50%	0.5	S	S	*	.			trans	-71.8	112.3	-177.1	28	-33.4	0	0	0	110.6
90	Q	54.7	Low	65.3	Low	164 Å²	164	94.7 Å²	94.7	77%	0.766	49%	0.494	S	S	*	.			trans	-109.4	147.2	177.2	-119.8	-162.8	-23.1	0	0	111.8	E88	E88-Q90 PolarHBondContact O-N 2.92Å
91	P	45.1	Very low	64.3	Low	105 Å²	105	94.2 Å²	94.2	68%	0.682	49%	0.489	S	S	*	.			trans	-67.3	158.9	171.9	-17.7	31.9	0	0	0	113	V93	P91-V93 PolarHBondContact O-N 3.16Å
92	D	41.1	Very low	63.6	Low	153 Å²	153	95.6 Å²	95.6	82%	0.818	50%	0.499	S	S	*	.			trans	-61.7	94.8	178.8	-73	-67.5	0	0	0	113.5
93	V	47.1	Very low	63.1	Low	105 Å²	105	94.8 Å²	94.8	64%	0.636	50%	0.495	S	S	*	.			trans	-128.3	108.2	167.9	-169.5	0	0	0	0	110.2	P91 V95	P91-V93 PolarHBondContact O-N 3.16Å; V93-V95 HydrophobicContact CG1-CG2 4.16Å; V93-V95 PolarHBondContact O-N 3.45Å
94	Y	48.7	Very low	62.7	Low	218 Å²	218	99.1 Å²	99.1	86%	0.855	52%	0.515	S	S	*	.			trans	-72.7	81.5	-178.9	-84.2	-102.3	0	0	0	112.3
95	V	45.6	Very low	62.5	Low	64 Å²	64	99.4 Å²	99.4	39%	0.388	52%	0.515	S	S	.	.			trans	-101.4	124.6	165.4	-174	0	0	0	0	110.2	R65 V93 Q97	R65-V95 PolarHBondContact NH2-O 2.83Å; V93-V95 HydrophobicContact CG1-CG2 4.16Å; V93-V95 PolarHBondContact O-N 3.45Å; V95-Q97 HydrophobicContact CG1-CB 4.3Å; V95-Q97 HydrophobicContact CG1-CG 3.83Å
96	N	46	Very low	62.5	Low	139 Å²	139	99.2 Å²	99.2	74%	0.743	51%	0.514	S	S	*	.			trans	-105.5	72.1	-176	-170.2	20.8	0	0	0	111.2
97	Q	46.4	Very low	62.8	Low	108 Å²	108	97 Å²	97	51%	0.505	51%	0.505	S	S	.	.			trans	-124.3	72.7	-178.4	-73.7	178.5	-8.3	0	0	111.2	V95 T99 Q101	V95-Q97 HydrophobicContact CG1-CB 4.3Å; V95-Q97 HydrophobicContact CG1-CG 3.83Å; Q97-T99 PolarHBondContact O-N 3.09Å; Q97-Q101 VanDerWaalsContact O-CG 3.29Å; Q97-Q101 WeakPolarHBondContact O-CG 3.26Å
98	K	52.3	Low	63.4	Low	173 Å²	173	94.1 Å²	94.1	75%	0.752	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-25.1	-172.1	-68.7	-175.7	178.2	-179.9	0	115.1
99	T	49.3	Very low	64.7	Low	113 Å²	113	89.6 Å²	89.6	69%	0.693	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-45	-176.8	44.3	0	0	0	0	112.8	Q97 Q101 S102	Q97-T99 PolarHBondContact O-N 3.09Å; T99-Q101 PolarHBondContact O-N 3.26Å; T99-S102 PolarHBondContact O-N 3.49Å; T99-S102 PolarHBondContact O-OG 2.84Å
100	S	56.3	Low	66.6	Low	55 Å²	55	83.5 Å²	83.5	39%	0.385	43%	0.434	S	S	.	.	H	α-helix	trans	-61.6	-32.2	179.8	-45.3	0	0	0	0	112.7	Q104	S100-Q104 WeakPolarHBondContact O-CG 3.32Å; S100-Q104 PolarHBondContact O-N 2.62Å
101	Q	70.3	Confident	68.5	Low	71 Å²	71	78.2 Å²	78.2	33%	0.332	41%	0.413	S	S	.	.	H	α-helix	trans	-68.4	-36.3	-179.3	-73.5	176	-1.9	0	0	113.5	Q97 T99 L105	Q97-Q101 VanDerWaalsContact O-CG 3.29Å; Q97-Q101 WeakPolarHBondContact O-CG 3.26Å; T99-Q101 PolarHBondContact O-N 3.26Å; Q101-L105 WeakPolarHBondContact O-CB 3.28Å; Q101-L105 WeakPolarHBondContact O-CG 3.35Å; Q101-L105 PolarHBondContact O-N 3.4Å
102	S	78.1	Confident	70.8	Confident	29 Å²	29	73.2 Å²	73.2	20%	0.203	38%	0.381	C	S	.	.	H	α-helix	trans	-69.7	-38.9	-178.3	65.8	0	0	0	0	112.3	T99 L105 V106 C171	T99-S102 PolarHBondContact O-N 3.49Å; T99-S102 PolarHBondContact O-OG 2.84Å; S102-L105 PolarHBondContact O-N 2.84Å; S102-V106 WeakPolarHBondContact O-CG2 3.48Å; S102-V106 PolarHBondContact O-N 3.25Å; S102-C171 PolarHBondContact OG-O 2.94Å
103	S	83.4	Confident	73.4	Confident	36 Å²	36	66 Å²	66	25%	0.252	34%	0.342	S	S	.	.	H	α-helix	trans	-65.5	-47.1	178	-161.7	0	0	0	0	110.9	L105 V106 Q107 C171	S103-L105 VanDerWaalsContact C-N 3.31Å; S103-L105 PolarHBondContact O-N 3.45Å; S103-V106 PolarHBondContact O-N 3.28Å; S103-Q107 WeakPolarHBondContact O-CB 3.36Å; S103-Q107 PolarHBondContact O-N 3.07Å; S103-C171 PolarHBondContact N-O 2.71Å; S103-C171 WeakPolarHBondContact OG-CB 3.41Å
104	Q	86.1	Confident	75.6	Confident	95 Å²	95	64 Å²	64	44%	0.444	32%	0.323	S	S	.	.	H	α-helix	trans	-61.7	-34.9	176.2	-68.3	176.8	10.5	0	0	113.2	S100 S108	S100-Q104 WeakPolarHBondContact O-CG 3.32Å; S100-Q104 PolarHBondContact O-N 2.62Å; Q104-S108 WeakPolarHBondContact O-CB 3.25Å; Q104-S108 PolarHBondContact O-N 3.03Å; Q104-S108 PolarHBondContact O-OG 2.79Å
105	L	88.3	Confident	77.7	Confident	25 Å²	25	59.3 Å²	59.3	13%	0.131	30%	0.304	C	S	.	.	H	α-helix	trans	-71.6	-37.5	174.7	-76.7	172.2	0	0	0	112.6	P66 V69 L85 Q101 S102 S103 S108 L109 F173	P66-L105 HydrophobicContact CG-CD1 4.12Å; V69-L105 HydrophobicContact CG2-CD2 4.42Å; L85-L105 HydrophobicContact CD1-CD2 4.18Å; Q101-L105 WeakPolarHBondContact O-CB 3.28Å; Q101-L105 WeakPolarHBondContact O-CG 3.35Å; Q101-L105 PolarHBondContact O-N 3.4Å; S102-L105 PolarHBondContact O-N 2.84Å; S103-L105 VanDerWaalsContact C-N 3.31Å; S103-L105 PolarHBondContact O-N 3.45Å; L105-S108 PolarHBondContact O-OG 3.14Å; L105-L109 WeakPolarHBondContact O-CB 3.39Å; L105-L109 PolarHBondContact O-N 3.41Å; L105-F173 HydrophobicContact CB-CE1 3.95Å; L105-F173 HydrophobicContact CB-CZ 3.85Å; L105-F173 HydrophobicContact CD1-CZ 4.07Å
106	V	90.9	Very high	80.1	Confident	1 Å²	1	56.3 Å²	56.3	1%	0.006	29%	0.286	C	S	.	.	H	α-helix	trans	-66.8	-40.7	172.7	173.8	0	0	0	0	111.1	S102 S103 L109 G110 M140 V170 F173 V176	S102-V106 WeakPolarHBondContact O-CG2 3.48Å; S102-V106 PolarHBondContact O-N 3.25Å; S103-V106 PolarHBondContact O-N 3.28Å; V106-L109 PolarHBondContact O-N 3.07Å; V106-G110 PolarHBondContact O-N 3.26Å; V106-M140 HydrophobicContact CG1-CB 3.91Å; V106-M140 HydrophobicContact CG1-CE 4.01Å; V106-M140 HydrophobicContact CG1-CG 3.63Å; V106-V170 HydrophobicContact CG1-CG1 4.33Å; V106-V170 WeakPolarHBondContact CG1-O 3.44Å; V106-F173 HydrophobicContact CG2-CD1 3.5Å; V106-F173 HydrophobicContact CG2-CE1 3.68Å; V106-F173 HydrophobicContact CG2-CG 4.42Å; V106-V176 HydrophobicContact CG1-CG2 3.73Å; V106-V176 HydrophobicContact CG2-CG2 4.29Å
107	Q	91.3	Very high	82.3	Confident	72 Å²	72	49.7 Å²	49.7	34%	0.336	25%	0.251	S	S	.	.	H	α-helix	trans	-63	-50.8	177.9	-162.9	-170	16.5	0	0	112.5	S103 L109 G110 V111 M140 A141	S103-Q107 WeakPolarHBondContact O-CB 3.36Å; S103-Q107 PolarHBondContact O-N 3.07Å; Q107-L109 VanDerWaalsContact C-N 3.32Å; Q107-L109 PolarHBondContact O-N 3.35Å; Q107-G110 PolarHBondContact O-N 3.08Å; Q107-V111 WeakPolarHBondContact O-CG2 3.34Å; Q107-V111 PolarHBondContact O-N 2.97Å; Q107-M140 WeakPolarHBondContact CA-O 3.44Å; Q107-M140 WeakPolarHBondContact CG-O 3.32Å; Q107-A141 VanDerWaalsContact CG-O 3.27Å; Q107-A141 WeakPolarHBondContact CG-O 3.39Å; Q107-A141 PolarHBondContact NE2-O 3.19Å
108	S	91.6	Very high	84.5	Confident	28 Å²	28	46 Å²	46	20%	0.196	23%	0.234	C	C	.	.	H	α-helix	trans	-67.2	-31	178.7	53.4	0	0	0	0	113	V69 Q104 L105 A112	V69-S108 WeakPolarHBondContact O-CB 3.23Å; Q104-S108 WeakPolarHBondContact O-CB 3.25Å; Q104-S108 PolarHBondContact O-N 3.03Å; Q104-S108 PolarHBondContact O-OG 2.79Å; L105-S108 PolarHBondContact O-OG 3.14Å; S108-A112 WeakPolarHBondContact O-CB 3.31Å; S108-A112 PolarHBondContact O-N 2.87Å
109	L	93.2	Very high	86.4	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-65.6	-44.5	169.2	-177.9	63.5	0	0	0	112.2	C52 C53 V69 I75 L105 V106 Q107 V111 A112 I113 M140	C52-L109 HydrophobicContact CB-CD1 4.36Å; C52-L109 HydrophobicContact CB-CD2 4.09Å; C53-L109 VanDerWaalsContact SG-CD2 3.57Å; V69-L109 HydrophobicContact CG2-CB 4.37Å; I75-L109 HydrophobicContact CD1-CD1 3.76Å; I75-L109 HydrophobicContact CG1-CD1 4.23Å; L105-L109 WeakPolarHBondContact O-CB 3.39Å; L105-L109 PolarHBondContact O-N 3.41Å; V106-L109 PolarHBondContact O-N 3.07Å; Q107-L109 VanDerWaalsContact C-N 3.32Å; Q107-L109 PolarHBondContact O-N 3.35Å; L109-V111 PolarHBondContact O-N 2.94Å; L109-A112 PolarHBondContact O-N 3.04Å; L109-I113 HydrophobicContact CD1-CD1 3.79Å; L109-I113 HydrophobicContact CD1-CG1 4.23Å; L109-I113 HydrophobicContact CG-CD1 3.87Å; L109-I113 WeakPolarHBondContact O-CG1 3.5Å; L109-I113 PolarHBondContact O-N 3.08Å; L109-M140 HydrophobicContact CB-CE 4.39Å; L109-M140 HydrophobicContact CD2-CE 4.19Å; L109-M140 HydrophobicContact CG-CE 4.18Å
110	G	93.4	Very high	88.1	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-59.2	-46.3	177	0	0	0	0	0	112.2	V106 Q107 A112 I113 Y114	V106-G110 PolarHBondContact O-N 3.26Å; Q107-G110 PolarHBondContact O-N 3.08Å; G110-A112 PolarHBondContact O-N 3.18Å; G110-I113 PolarHBondContact O-N 2.98Å; G110-Y114 WeakPolarHBondContact O-CB 3.38Å; G110-Y114 PolarHBondContact O-N 3.23Å
111	V	93.1	Very high	89.5	Confident	52 Å²	52	39.6 Å²	39.6	32%	0.315	21%	0.212	S	C	.	.	H	α-helix	trans	-62.7	-40.1	175	173.8	0	0	0	0	112.1	Q107 L109 R115 A141	Q107-V111 WeakPolarHBondContact O-CG2 3.34Å; Q107-V111 PolarHBondContact O-N 2.97Å; L109-V111 PolarHBondContact O-N 2.94Å; V111-R115 WeakPolarHBondContact O-CG 3.32Å; V111-R115 PolarHBondContact O-N 2.98Å; V111-A141 HydrophobicContact CG2-CB 3.82Å
112	A	94.6	Very high	89.9	Confident	1 Å²	1	41.7 Å²	41.7	1%	0.008	23%	0.225	C	C	.	.	H	α-helix	trans	-68.7	-35.7	178.5	0	0	0	0	0	113	V69 I75 S108 L109 G110 A116	V69-A112 HydrophobicContact CG1-CB 3.55Å; I75-A112 HydrophobicContact CD1-CB 4.01Å; S108-A112 WeakPolarHBondContact O-CB 3.31Å; S108-A112 PolarHBondContact O-N 2.87Å; L109-A112 PolarHBondContact O-N 3.04Å; G110-A112 PolarHBondContact O-N 3.18Å; A112-A116 PolarHBondContact O-N 2.86Å
113	I	95.2	Very high	90.1	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-74.5	-37.3	176.6	-68.8	172.6	0	0	0	111	A45 V48 C49 I75 L109 G110 A116 L117	A45-I113 HydrophobicContact CB-CG2 3.85Å; V48-I113 HydrophobicContact CB-CD1 4.49Å; V48-I113 HydrophobicContact CG1-CD1 3.91Å; V48-I113 HydrophobicContact CG1-CG1 4.18Å; C49-I113 HydrophobicContact CB-CD1 4.25Å; C49-I113 WeakPolarHBondContact SG-CD1 3.1Å; I75-I113 HydrophobicContact CD1-CG1 4.17Å; L109-I113 HydrophobicContact CD1-CD1 3.79Å; L109-I113 HydrophobicContact CD1-CG1 4.23Å; L109-I113 HydrophobicContact CG-CD1 3.87Å; L109-I113 WeakPolarHBondContact O-CG1 3.5Å; L109-I113 PolarHBondContact O-N 3.08Å; G110-I113 PolarHBondContact O-N 2.98Å; I113-A116 WeakPolarHBondContact O-CB 3.36Å; I113-A116 PolarHBondContact O-N 3.35Å; I113-L117 HydrophobicContact CG2-CD1 4.36Å; I113-L117 PolarHBondContact O-N 3.42Å; I113-L117 VanDerWaalsContact O-N 3.09Å
114	Y	93.5	Very high	90.1	Very high	63 Å²	63	49.6 Å²	49.6	25%	0.247	26%	0.262	C	S	.	.	H	α-helix	trans	-57.7	-47.7	170	-176.2	-91.6	0	0	0	111.6	G110 A116 L117 D118 I137	G110-Y114 WeakPolarHBondContact O-CB 3.38Å; G110-Y114 PolarHBondContact O-N 3.23Å; Y114-A116 PolarHBondContact O-N 3.47Å; Y114-A116 VanDerWaalsContact O-N 3.15Å; Y114-L117 WeakPolarHBondContact O-CA 3.48Å; Y114-L117 WeakPolarHBondContact O-CB 3.48Å; Y114-L117 PolarHBondContact O-N 3.07Å; Y114-D118 HydrophobicContact CE1-CB 4.38Å; Y114-D118 WeakPolarHBondContact CE1-OD2 3.21Å; Y114-D118 PolarHBondContact O-N 3.17Å; Y114-D118 PolarHBondContact OH-OD2 3.32Å; Y114-I137 HydrophobicContact CD2-CG2 3.93Å; Y114-I137 HydrophobicContact CG-CG2 4.32Å
115	R	93.1	Very high	89.8	Confident	121 Å²	121	47.9 Å²	47.9	46%	0.457	25%	0.254	S	S	.	.	H	α-helix	trans	-61.5	-20.8	173.7	-72.3	178.8	-173.9	162.3	4.5	114.7	K70 P72 V111 W119	K70-R115 PolarHBondContact O-NH1 2.88Å; P72-R115 HydrophobicContact CG-CB 4.47Å; V111-R115 WeakPolarHBondContact O-CG 3.32Å; V111-R115 PolarHBondContact O-N 2.98Å; R115-W119 PolarHBondContact O-N 3.23Å
116	A	95	Very high	89.3	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-84.1	-23.9	173.5	0	0	0	0	0	112.4	L29 L33 P39 I40 P72 A112 I113 Y114	L29-A116 HydrophobicContact CD2-CB 3.81Å; L29-A116 HydrophobicContact CG-CB 4.4Å; L33-A116 HydrophobicContact CD1-CB 3.86Å; L33-A116 HydrophobicContact CD2-CB 4.39Å; P39-A116 VanDerWaalsContact CA-O 3.32Å; P39-A116 WeakPolarHBondContact CA-O 3.32Å; P39-A116 VanDerWaalsContact CB-O 3.24Å; P39-A116 WeakPolarHBondContact CB-O 3.21Å; I40-A116 HydrophobicContact CD1-CB 3.77Å; I40-A116 HydrophobicContact CG1-CB 3.99Å; I40-A116 PolarHBondContact N-O 3.42Å; P72-A116 HydrophobicContact CG-CB 4.5Å; A112-A116 PolarHBondContact O-N 2.86Å; I113-A116 WeakPolarHBondContact O-CB 3.36Å; I113-A116 PolarHBondContact O-N 3.35Å; Y114-A116 PolarHBondContact O-N 3.47Å; Y114-A116 VanDerWaalsContact O-N 3.15Å
117	L	92.9	Very high	88.9	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-81	-33.5	173.2	-73.1	159.8	0	0	0	112.1	P39 I40 A45 I113 Y114 R127 L129 L133 I137	P39-L117 WeakPolarHBondContact CB-O 3.47Å; I40-L117 HydrophobicContact CG1-CD2 4.09Å; I40-L117 HydrophobicContact CG1-CG 4.2Å; A45-L117 HydrophobicContact CB-CD1 3.97Å; A45-L117 HydrophobicContact CB-CD2 3.97Å; A45-L117 HydrophobicContact CB-CG 4.15Å; I113-L117 HydrophobicContact CG2-CD1 4.36Å; I113-L117 PolarHBondContact O-N 3.42Å; I113-L117 VanDerWaalsContact O-N 3.09Å; Y114-L117 WeakPolarHBondContact O-CA 3.48Å; Y114-L117 WeakPolarHBondContact O-CB 3.48Å; Y114-L117 PolarHBondContact O-N 3.07Å; L117-R127 WeakPolarHBondContact O-CD 3.45Å; L117-R127 PolarHBondContact O-NH1 2.85Å; L117-L129 HydrophobicContact CB-CD2 4.44Å; L117-L129 HydrophobicContact CD1-CD1 4.07Å; L117-L129 HydrophobicContact CD1-CD2 4.22Å; L117-L129 HydrophobicContact CD2-CD2 4.22Å; L117-L133 HydrophobicContact CD1-CD2 4.04Å; L117-L133 HydrophobicContact CD2-CD2 4.45Å; L117-I137 HydrophobicContact CD1-CD1 3.52Å
118	D	92.4	Very high	88.4	Confident	30 Å²	30	50.7 Å²	50.7	16%	0.16	27%	0.265	C	S	.	.	S	Bend	trans	-93.2	9.1	177.3	-78.4	16.4	0	0	0	113.3	Y114 G120 L121 R127	Y114-D118 HydrophobicContact CE1-CB 4.38Å; Y114-D118 WeakPolarHBondContact CE1-OD2 3.21Å; Y114-D118 PolarHBondContact O-N 3.17Å; Y114-D118 PolarHBondContact OH-OD2 3.32Å; D118-G120 PolarHBondContact O-N 3.18Å; D118-L121 HydrophobicContact CB-CD1 4.37Å; D118-L121 PolarHBondContact O-N 3.48Å; D118-L121 VanDerWaalsContact O-N 3.13Å; D118-R127 WeakPolarHBondContact OD1-CB 3.47Å
119	W	91.7	Very high	88.3	Confident	76 Å²	76	50.4 Å²	50.4	29%	0.288	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	112.6	-176	-178.7	-86.8	0	0	0	112.2	E30 L33 K34 P39 R115	E30-W119 HydrophobicContact CG-CH2 4.01Å; E30-W119 HydrophobicContact CG-CZ3 4.3Å; L33-W119 HydrophobicContact CB-CD2 3.79Å; L33-W119 HydrophobicContact CB-CE3 4.35Å; L33-W119 HydrophobicContact CB-CG 3.99Å; L33-W119 HydrophobicContact CB-CZ2 4.18Å; L33-W119 HydrophobicContact CD1-CB 4.33Å; L33-W119 HydrophobicContact CD1-CD2 3.88Å; L33-W119 HydrophobicContact CD1-CE3 3.75Å; L33-W119 HydrophobicContact CD1-CG 4.14Å; L33-W119 HydrophobicContact CD1-CZ3 4.33Å; L33-W119 HydrophobicContact CD2-CB 3.9Å; L33-W119 HydrophobicContact CD2-CD2 4.47Å; L33-W119 HydrophobicContact CD2-CG 3.94Å; L33-W119 HydrophobicContact CG-CD2 4.26Å; L33-W119 HydrophobicContact CG-CG 4.24Å; K34-W119 HydrophobicContact CG-CH2 4.43Å; K34-W119 HydrophobicContact CG-CZ2 3.97Å; P39-W119 HydrophobicContact CB-CB 4.06Å; P39-W119 WeakPolarHBondContact CD-O 3.36Å; R115-W119 PolarHBondContact O-N 3.23Å
120	G	85.4	Confident	88	Confident	75 Å²	75	52.1 Å²	52.1	77%	0.773	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	97.1	7.3	179.1	0	0	0	0	0	115.3	D118	D118-G120 PolarHBondContact O-N 3.18Å
121	L	85.4	Confident	87.7	Confident	57 Å²	57	56 Å²	56	30%	0.298	30%	0.298	S	S	.	.			trans	-86.7	153.2	166.8	-61	-176	0	0	0	111.4	D118 E125 R127 L409	D118-L121 HydrophobicContact CB-CD1 4.37Å; D118-L121 PolarHBondContact O-N 3.48Å; D118-L121 VanDerWaalsContact O-N 3.13Å; L121-E125 HydrophobicContact CB-CB 4.25Å; L121-R127 HydrophobicContact CD1-CB 3.97Å; L121-L409 HydrophobicContact CD2-CD1 3.99Å
122	D	80.1	Confident	87.5	Confident	115 Å²	115	59 Å²	59	62%	0.615	31%	0.309	S	S	*	.			trans	-78.5	157	171.7	-88.3	-20.9	0	0	0	111.9	N124 E125	D122-N124 PolarHBondContact O-N 2.87Å; D122-E125 HydrophobicContact CB-CG 4.31Å; D122-E125 PolarHBondContact N-OE2 3.5Å; D122-E125 PolarHBondContact O-N 2.98Å
123	D	81.4	Confident	87.3	Confident	158 Å²	158	59 Å²	59	85%	0.845	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-13.4	178.8	-72.3	-45	0	0	0	115.4
124	N	82.9	Confident	87.2	Confident	72 Å²	72	63.2 Å²	63.2	39%	0.385	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100	-4	179.2	-56.6	-95.3	0	0	0	112.6	D122 R406 I407	D122-N124 PolarHBondContact O-N 2.87Å; N124-R406 CarbonylContact O-C 3.55Å; N124-R406 WeakPolarHBondContact O-CA 3.34Å; N124-I407 PolarHBondContact O-N 3.1Å
125	E	80.1	Confident	87	Confident	60 Å²	60	65.7 Å²	65.7	28%	0.28	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	148.3	-178	-60.2	-178.4	139.1	0	0	109.5	L121 D122 I407 L409	L121-E125 HydrophobicContact CB-CB 4.25Å; D122-E125 HydrophobicContact CB-CG 4.31Å; D122-E125 PolarHBondContact N-OE2 3.5Å; D122-E125 PolarHBondContact O-N 2.98Å; E125-I407 WeakPolarHBondContact CA-O 3.33Å; E125-L409 HydrophobicContact CB-CD1 3.99Å; E125-L409 HydrophobicContact CB-CG 4.45Å; E125-L409 HydrophobicContact CG-CD1 4.17Å
126	E	78.8	Confident	87.1	Confident	57 Å²	57	60.2 Å²	60.2	27%	0.266	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	136.2	-179.7	-172.2	157.7	-150.3	0	0	109.5	R406 I407 L408 L409	E126-R406 IonicContact OE1-CZ 3.71Å; E126-R406 IonicContact OE1-NH1 3.72Å; E126-R406 PolarHBondContact OE1-NH1 3.17Å; E126-R406 WeakPolarHBondContact OE2-CD 3.33Å; E126-R406 IonicContact OE2-CZ 2.72Å; E126-R406 IonicContact OE2-NE 3.59Å; E126-R406 IonicContact OE2-NH1 3.74Å; E126-R406 PolarHBondContact OE2-NH1 3.08Å; E126-I407 PolarHBondContact N-O 3.05Å; E126-L408 HydrophobicContact CB-CD1 4.45Å; E126-L409 PolarHBondContact O-N 2.99Å
127	R	81.4	Confident	87	Confident	43 Å²	43	60.7 Å²	60.7	16%	0.162	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	123	-174.5	-168.4	172.1	-177.5	-179.8	0.2	110.7	I40 L117 D118 L121 L129	I40-R127 PolarHBondContact O-NH1 3.02Å; L117-R127 WeakPolarHBondContact O-CD 3.45Å; L117-R127 PolarHBondContact O-NH1 2.85Å; D118-R127 WeakPolarHBondContact OD1-CB 3.47Å; L121-R127 HydrophobicContact CD1-CB 3.97Å; R127-L129 HydrophobicContact CG-CD2 4.1Å; R127-L129 PolarHBondContact O-N 3.19Å
128	E	82.1	Confident	86.9	Confident	57 Å²	57	65.2 Å²	65.2	27%	0.266	34%	0.34	S	S	.	.			trans	-62.1	121.6	164.8	-69.5	-171.5	-169	0	0	110	L408 L409 K410 A411	E128-L408 HydrophobicContact CG-CD1 3.71Å; E128-L408 HydrophobicContact CG-CD2 3.95Å; E128-L408 HydrophobicContact CG-CG 3.58Å; E128-L409 PolarHBondContact N-O 3.24Å; E128-K410 IonicContact OE1-NZ 3.64Å; E128-K410 PolarHBondContact OE1-NZ 3.35Å; E128-K410 IonicContact OE2-NZ 2.63Å; E128-K410 PolarHBondContact OE2-NZ 3.36Å; E128-A411 WeakPolarHBondContact O-CB 3.48Å
129	L	87.5	Confident	86.8	Confident	21 Å²	21	66.3 Å²	66.3	11%	0.11	34%	0.342	C	S	.	.			trans	-106.4	159.7	172.4	-59.3	179.3	0	0	0	109.9	L117 R127 L133 E134 I137	L117-L129 HydrophobicContact CB-CD2 4.44Å; L117-L129 HydrophobicContact CD1-CD1 4.07Å; L117-L129 HydrophobicContact CD1-CD2 4.22Å; L117-L129 HydrophobicContact CD2-CD2 4.22Å; R127-L129 HydrophobicContact CG-CD2 4.1Å; R127-L129 PolarHBondContact O-N 3.19Å; L129-L133 HydrophobicContact CD1-CG 4.44Å; L129-L133 HydrophobicContact CD2-CD2 4.36Å; L129-E134 HydrophobicContact CB-CB 4.18Å; L129-I137 HydrophobicContact CD1-CD1 3.84Å
130	S	87.5	Confident	86.8	Confident	37 Å²	37	62.9 Å²	62.9	26%	0.259	33%	0.329	S	S	.	.			trans	-60.4	140.8	172.2	75.2	0	0	0	0	110.5	E42 Q132 L133 E134	E42-S130 VanDerWaalsContact OE1-CB 3.3Å; E42-S130 WeakPolarHBondContact OE1-CB 3.31Å; E42-S130 PolarHBondContact OE1-N 2.88Å; E42-S130 PolarHBondContact OE1-OG 3.37Å; E42-S130 VanDerWaalsContact OE2-CB 3.29Å; E42-S130 WeakPolarHBondContact OE2-CB 3.32Å; E42-S130 PolarHBondContact OE2-OG 2.85Å; S130-Q132 PolarHBondContact O-N 3.45Å; S130-L133 PolarHBondContact O-N 3.04Å; S130-L133 PolarHBondContact OG-N 3.34Å; S130-E134 WeakPolarHBondContact O-CB 3.32Å; S130-E134 PolarHBondContact O-N 3.34Å
131	P	86.9	Confident	86.9	Confident	80 Å²	80	60.6 Å²	60.6	52%	0.519	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	0	-178.1	-27	35.6	0	0	0	116	R135	P131-R135 WeakPolarHBondContact O-CB 3.36Å
132	Q	89.4	Confident	86.6	Confident	116 Å²	116	59.6 Å²	59.6	54%	0.542	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-38.5	169.8	-59.5	-172.6	20.7	0	0	111.9	W46 S130 L136	W46-Q132 HydrophobicContact CH2-CB 4.32Å; W46-Q132 WeakPolarHBondContact CH2-O 3.08Å; W46-Q132 HydrophobicContact CZ2-CB 3.95Å; S130-Q132 PolarHBondContact O-N 3.45Å; Q132-L136 PolarHBondContact O-N 3.12Å
133	L	91.6	Very high	85.6	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-77.9	-46.7	179.3	179.2	57.8	0	0	0	111.1	E42 A45 W46 L117 L129 S130 R135 L136 I137	E42-L133 HydrophobicContact CB-CD2 3.79Å; E42-L133 HydrophobicContact CG-CD2 3.45Å; E42-L133 VanDerWaalsContact CG-CD2 3.45Å; E42-L133 WeakPolarHBondContact OE2-CB 3.39Å; E42-L133 WeakPolarHBondContact OE2-CD2 3.41Å; A45-L133 HydrophobicContact CB-CD2 4.39Å; W46-L133 HydrophobicContact CD2-CD1 4.11Å; W46-L133 HydrophobicContact CG-CD1 4.41Å; W46-L133 VanDerWaalsContact CZ2-CA 3.46Å; W46-L133 HydrophobicContact CZ2-CB 3.8Å; W46-L133 HydrophobicContact CZ2-CD1 4.2Å; L117-L133 HydrophobicContact CD1-CD2 4.04Å; L117-L133 HydrophobicContact CD2-CD2 4.45Å; L129-L133 HydrophobicContact CD1-CG 4.44Å; L129-L133 HydrophobicContact CD2-CD2 4.36Å; S130-L133 PolarHBondContact O-N 3.04Å; S130-L133 PolarHBondContact OG-N 3.34Å; L133-R135 VanDerWaalsContact C-N 3.31Å; L133-R135 PolarHBondContact O-N 2.92Å; L133-L136 WeakPolarHBondContact O-CB 3.47Å; L133-L136 PolarHBondContact O-N 3.49Å; L133-I137 HydrophobicContact CD1-CD1 3.92Å; L133-I137 HydrophobicContact CD1-CG1 4.19Å; L133-I137 HydrophobicContact CG-CD1 3.95Å; L133-I137 WeakPolarHBondContact O-CG1 3.4Å; L133-I137 PolarHBondContact O-N 2.79Å
134	E	91.6	Very high	84.4	Confident	90 Å²	90	54.4 Å²	54.4	42%	0.421	29%	0.289	S	S	.	.	H	α-helix	trans	-45.6	-58.2	169.7	-179.1	-176.5	-132.4	0	0	109.8	L129 S130 L136 I137 E138	L129-E134 HydrophobicContact CB-CB 4.18Å; S130-E134 WeakPolarHBondContact O-CB 3.32Å; S130-E134 PolarHBondContact O-N 3.34Å; E134-L136 VanDerWaalsContact C-N 3.29Å; E134-L136 PolarHBondContact O-N 3.17Å; E134-I137 CarbonylContact O-C 3.43Å; E134-I137 PolarHBondContact O-N 3.38Å; E134-E138 WeakPolarHBondContact O-CG 3.42Å; E134-E138 PolarHBondContact O-N 3.15Å
135	R	90.7	Very high	82.8	Confident	115 Å²	115	60.2 Å²	60.2	43%	0.434	31%	0.314	S	S	.	.	H	α-helix	trans	-62.1	-26.3	178.7	-170.3	178.6	-60.7	153.9	8.9	115.1	P131 L133 E138 R139	P131-R135 WeakPolarHBondContact O-CB 3.36Å; L133-R135 VanDerWaalsContact C-N 3.31Å; L133-R135 PolarHBondContact O-N 2.92Å; R135-E138 WeakPolarHBondContact CA-OE2 3.37Å; R135-R139 WeakPolarHBondContact O-CB 3.27Å; R135-R139 VanDerWaalsContact O-CD 3.27Å; R135-R139 WeakPolarHBondContact O-CD 3.49Å; R135-R139 WeakPolarHBondContact O-CG 3.3Å; R135-R139 PolarHBondContact O-N 2.9Å
136	L	93.4	Very high	81.3	Confident	5 Å²	5	60.6 Å²	60.6	3%	0.026	33%	0.333	C	S	.	.	H	α-helix	trans	-72.2	-48.2	170.4	174.3	64	0	0	0	110	W46 C49 Q132 L133 E134 R139 M140 L179	W46-L136 HydrophobicContact CE3-CD2 3.74Å; W46-L136 HydrophobicContact CH2-CB 4.14Å; W46-L136 HydrophobicContact CH2-CD2 4.1Å; W46-L136 HydrophobicContact CZ3-CB 4.3Å; W46-L136 HydrophobicContact CZ3-CD2 3.44Å; W46-L136 VanDerWaalsContact CZ3-CD2 3.44Å; W46-L136 HydrophobicContact CZ3-CG 4.41Å; C49-L136 HydrophobicContact CB-CD2 4.49Å; Q132-L136 PolarHBondContact O-N 3.12Å; L133-L136 WeakPolarHBondContact O-CB 3.47Å; L133-L136 PolarHBondContact O-N 3.49Å; E134-L136 VanDerWaalsContact C-N 3.29Å; E134-L136 PolarHBondContact O-N 3.17Å; L136-R139 PolarHBondContact O-N 3.25Å; L136-M140 HydrophobicContact CD1-CG 4.04Å; L136-M140 HydrophobicContact CD1-SD 3.7Å; L136-M140 HydrophobicContact CD2-SD 4.12Å; L136-M140 HydrophobicContact CG-CG 4.39Å; L136-M140 HydrophobicContact CG-SD 3.68Å; L136-M140 WeakPolarHBondContact O-CG 3.43Å; L136-M140 PolarHBondContact O-N 3.5Å; L136-L179 HydrophobicContact CD1-CB 4.15Å; L136-L179 HydrophobicContact CD1-CD1 3.77Å
137	I	92.8	Very high	79.5	Confident	10 Å²	10	61 Å²	61	5%	0.051	35%	0.354	C	S	.	.	H	α-helix	trans	-65.4	-44.9	-177.5	-66.4	171.9	0	0	0	110.7	Y114 L117 L129 L133 E134 R139 M140 A141	Y114-I137 HydrophobicContact CD2-CG2 3.93Å; Y114-I137 HydrophobicContact CG-CG2 4.32Å; L117-I137 HydrophobicContact CD1-CD1 3.52Å; L129-I137 HydrophobicContact CD1-CD1 3.84Å; L133-I137 HydrophobicContact CD1-CD1 3.92Å; L133-I137 HydrophobicContact CD1-CG1 4.19Å; L133-I137 HydrophobicContact CG-CD1 3.95Å; L133-I137 WeakPolarHBondContact O-CG1 3.4Å; L133-I137 PolarHBondContact O-N 2.79Å; E134-I137 CarbonylContact O-C 3.43Å; E134-I137 PolarHBondContact O-N 3.38Å; I137-R139 VanDerWaalsContact C-N 3.28Å; I137-R139 PolarHBondContact O-N 3.21Å; I137-M140 PolarHBondContact O-N 3.29Å; I137-M140 VanDerWaalsContact O-N 3.13Å; I137-A141 WeakPolarHBondContact O-CB 3.27Å; I137-A141 PolarHBondContact O-N 2.82Å
138	E	91.8	Very high	77.8	Confident	95 Å²	95	68.9 Å²	68.9	44%	0.444	39%	0.392	S	S	.	.	H	α-helix	trans	-49.5	-48.9	170.4	-74	-176.4	132.2	0	0	111.5	E134 R135 M140 G142	E134-E138 WeakPolarHBondContact O-CG 3.42Å; E134-E138 PolarHBondContact O-N 3.15Å; R135-E138 WeakPolarHBondContact CA-OE2 3.37Å; E138-M140 VanDerWaalsContact C-N 3.34Å; E138-M140 PolarHBondContact O-N 3.03Å; E138-G142 VanDerWaalsContact O-CA 3.23Å; E138-G142 WeakPolarHBondContact O-CA 3.15Å; E138-G142 PolarHBondContact O-N 3.19Å
139	R	90.6	Very high	75.6	Confident	53 Å²	53	69.6 Å²	69.6	20%	0.2	41%	0.414	C	S	.	.	H	α-helix	trans	-74.1	-23.7	-177.5	-72.1	174.6	-175.9	-162.1	-4.5	113.8	R135 L136 I137 V167 V170	R135-R139 WeakPolarHBondContact O-CB 3.27Å; R135-R139 VanDerWaalsContact O-CD 3.27Å; R135-R139 WeakPolarHBondContact O-CD 3.49Å; R135-R139 WeakPolarHBondContact O-CG 3.3Å; R135-R139 PolarHBondContact O-N 2.9Å; L136-R139 PolarHBondContact O-N 3.25Å; I137-R139 VanDerWaalsContact C-N 3.28Å; I137-R139 PolarHBondContact O-N 3.21Å; R139-V167 HydrophobicContact CG-CG1 3.44Å; R139-V167 VanDerWaalsContact CG-CG1 3.44Å; R139-V170 HydrophobicContact CB-CB 4.11Å; R139-V170 HydrophobicContact CB-CG2 3.67Å; R139-V170 PolarHBondContact O-N 3.39Å
140	M	91.6	Very high	73.1	Confident	4 Å²	4	74.6 Å²	74.6	2%	0.02	45%	0.446	C	S	.	.	H	α-helix	trans	-81.7	-55.6	174	-71.8	174.5	61.6	0	0	110.5	V106 Q107 L109 L136 I137 E138 V170 V176	V106-M140 HydrophobicContact CG1-CB 3.91Å; V106-M140 HydrophobicContact CG1-CE 4.01Å; V106-M140 HydrophobicContact CG1-CG 3.63Å; Q107-M140 WeakPolarHBondContact CA-O 3.44Å; Q107-M140 WeakPolarHBondContact CG-O 3.32Å; L109-M140 HydrophobicContact CB-CE 4.39Å; L109-M140 HydrophobicContact CD2-CE 4.19Å; L109-M140 HydrophobicContact CG-CE 4.18Å; L136-M140 HydrophobicContact CD1-CG 4.04Å; L136-M140 HydrophobicContact CD1-SD 3.7Å; L136-M140 HydrophobicContact CD2-SD 4.12Å; L136-M140 HydrophobicContact CG-CG 4.39Å; L136-M140 HydrophobicContact CG-SD 3.68Å; L136-M140 WeakPolarHBondContact O-CG 3.43Å; L136-M140 PolarHBondContact O-N 3.5Å; I137-M140 PolarHBondContact O-N 3.29Å; I137-M140 VanDerWaalsContact O-N 3.13Å; E138-M140 VanDerWaalsContact C-N 3.34Å; E138-M140 PolarHBondContact O-N 3.03Å; M140-V170 HydrophobicContact CG-CB 4.48Å; M140-V170 HydrophobicContact CG-CG1 4.2Å; M140-V176 HydrophobicContact CE-CG1 4.25Å; M140-V176 HydrophobicContact CE-CG2 4.16Å; M140-V176 HydrophobicContact CG-CG2 4.06Å; M140-V176 HydrophobicContact SD-CG1 3.91Å; M140-V176 HydrophobicContact SD-CG2 3.91Å
141	A	88	Confident	71	Confident	27 Å²	27	79 Å²	79	22%	0.223	47%	0.474	C	S	.	.	H	α-helix	trans	-75.7	-24.9	-175.4	0	0	0	0	0	113.8	Q107 V111 I137 G143	Q107-A141 VanDerWaalsContact CG-O 3.27Å; Q107-A141 WeakPolarHBondContact CG-O 3.39Å; Q107-A141 PolarHBondContact NE2-O 3.19Å; V111-A141 HydrophobicContact CG2-CB 3.82Å; I137-A141 WeakPolarHBondContact O-CB 3.27Å; I137-A141 PolarHBondContact O-N 2.82Å; A141-G143 PolarHBondContact O-N 3.31Å
142	G	78.6	Confident	68.5	Low	36 Å²	36	80.3 Å²	80.3	37%	0.371	49%	0.485	S	S	.	.	S	Bend	trans	-58.8	117.9	176.6	0	0	0	0	0	111.9	E138	E138-G142 VanDerWaalsContact O-CA 3.23Å; E138-G142 WeakPolarHBondContact O-CA 3.15Å; E138-G142 PolarHBondContact O-N 3.19Å
143	G	59.3	Low	66.5	Low	42 Å²	42	80 Å²	80	43%	0.433	50%	0.501	S	S	.	.			trans	-67.9	146.3	177.4	0	0	0	0	0	112.1	A141 Q145	A141-G143 PolarHBondContact O-N 3.31Å; G143-Q145 PolarHBondContact O-N 2.91Å
144	D	55	Low	63.8	Low	122 Å²	122	83.6 Å²	83.6	65%	0.652	54%	0.539	S	S	*	.			trans	-70.9	91.1	175.7	-165.4	7.4	0	0	0	109.9	G146	D144-G146 PolarHBondContact O-N 3.42Å
145	Q	49.8	Very low	61.4	Low	195 Å²	195	85.9 Å²	85.9	91%	0.911	57%	0.565	S	S	*	*			trans	-75.5	42.7	175.1	-67.4	-168.8	92.7	0	0	111.7	G143 G147	G143-Q145 PolarHBondContact O-N 2.91Å; Q145-G147 PolarHBondContact O-N 3.32Å
146	G	48.5	Very low	58.7	Low	67 Å²	67	84 Å²	84	69%	0.691	58%	0.582	S	S	*	*			trans	-96.2	60.1	-173.8	0	0	0	0	0	113.8	D144	D144-G146 PolarHBondContact O-N 3.42Å
147	G	41.8	Very low	56.5	Low	67 Å²	67	88.6 Å²	88.6	69%	0.691	62%	0.62	S	S	*	*			trans	154.5	135.5	172	0	0	0	0	0	112.4	Q145	Q145-G147 PolarHBondContact O-N 3.32Å
148	E	44.7	Very low	54	Low	208 Å²	208	94 Å²	94	97%	0.972	65%	0.654	S	S	*	*			cis	-117.1	128.9	7.2	-62.1	178.1	113.2	0	0	111.3
149	G	36.8	Very low	52.2	Low	71 Å²	71	96.1 Å²	96.1	73%	0.732	67%	0.668	S	S	*	*			trans	-150.4	110.2	177.3	0	0	0	0	0	110.9
150	V	34.8	Very low	50.1	Low	127 Å²	127	102.2 Å²	102.2	77%	0.77	70%	0.699	S	S	*	*			trans	-71.6	130.9	-175.7	177.5	0	0	0	0	110.4	S152	V150-S152 PolarHBondContact O-N 2.82Å
151	P	43.5	Very low	47.9	Very low	130 Å²	130	105.3 Å²	105.3	84%	0.844	73%	0.732	S	S	*	*			trans	-76.6	73.3	176.1	32.6	-35.9	0	0	0	111.3	A153	P151-A153 PolarHBondContact O-N 3.42Å
152	S	34.2	Very low	45.6	Very low	107 Å²	107	114.3 Å²	114.3	75%	0.748	76%	0.762	S	S	*	*			trans	-73.8	116.7	171.3	-73	0	0	0	0	110.5	V150	V150-S152 PolarHBondContact O-N 2.82Å
153	A	46.7	Very low	43.9	Very low	108 Å²	108	118.2 Å²	118.2	89%	0.893	78%	0.783	S	S	*	*			trans	-69	132.2	174.2	0	0	0	0	0	111.3	P151	P151-A153 PolarHBondContact O-N 3.42Å
154	G	35.6	Very low	43	Very low	77 Å²	77	119 Å²	119	79%	0.794	79%	0.791	S	S	*	*			trans	-162.2	121.9	175.1	0	0	0	0	0	111.2
155	S	42	Very low	42.5	Very low	137 Å²	137	120.4 Å²	120.4	96%	0.958	79%	0.794	S	S	*	*			trans	-86.3	141.6	-175.4	-55.5	0	0	0	0	112.8
156	G	34.3	Very low	42.5	Very low	77 Å²	77	118.4 Å²	118.4	79%	0.794	78%	0.784	S	S	*	*			trans	-179.7	126.8	166.8	0	0	0	0	0	112.6
157	A	46.8	Very low	43	Very low	100 Å²	100	118.7 Å²	118.7	83%	0.826	77%	0.772	S	S	*	*			trans	-77.6	160.2	163.2	0	0	0	0	0	108.9
158	T	39.9	Very low	44.5	Very low	125 Å²	125	124.3 Å²	124.3	77%	0.767	77%	0.773	S	S	*	*			cis	-134.3	160.8	32.8	55.6	0	0	0	0	112.3
159	D	53.3	Low	46.1	Very low	138 Å²	138	116.7 Å²	116.7	74%	0.738	74%	0.741	S	S	*	*				35.1	106	96.5	-133.1	6.6	0	0	0	111.4
160	E	46.2	Very low	48.3	Very low	181 Å²	181	113.7 Å²	113.7	85%	0.846	71%	0.709	S	S	*	*				-130.8	167.4	67.7	-86.1	-77.1	-178.9	0	0	115.9	Y162	E160-Y162 PolarHBondContact O-N 3.18Å
161	G	47.4	Very low	50.4	Low	69 Å²	69	109.6 Å²	109.6	71%	0.711	69%	0.685	S	S	*	*			trans	-86.9	105	-170.2	0	0	0	0	0	117.1
162	Y	39.7	Very low	52.6	Low	217 Å²	217	105.1 Å²	105.1	85%	0.851	66%	0.657	S	S	*	*			trans	-138.4	97	150.1	-161.3	-95.1	0	0	0	110.9	E160 G164	E160-Y162 PolarHBondContact O-N 3.18Å; Y162-G164 PolarHBondContact O-N 3.31Å
163	S	41.1	Very low	55.3	Low	118 Å²	118	101.3 Å²	101.3	83%	0.825	63%	0.627	S	S	*	*			trans	-75.7	75.5	178.5	62.5	0	0	0	0	111.1	Q165	S163-Q165 PolarHBondContact O-N 3.06Å
164	G	42.1	Very low	57.4	Low	57 Å²	57	104.3 Å²	104.3	59%	0.588	62%	0.615	S	S	*	*			trans	-58.6	98.4	166.7	0	0	0	0	0	109.2	Y162 E166	Y162-G164 PolarHBondContact O-N 3.31Å; G164-E166 PolarHBondContact O-N 2.93Å
165	Q	42.8	Very low	60.1	Low	153 Å²	153	104.5 Å²	104.5	72%	0.715	60%	0.595	S	S	*	*			trans	-70.7	102.6	-171.9	-175	177.7	24.4	0	0	109.7	S163 V167	S163-Q165 PolarHBondContact O-N 3.06Å; Q165-V167 PolarHBondContact O-N 3.39Å
166	E	50.1	Low	62.5	Low	152 Å²	152	98 Å²	98	71%	0.71	55%	0.55	S	S	*	.			trans	-40.9	115.8	-179.4	-68.1	-175.3	145.9	0	0	111.7	G164 R168	G164-E166 PolarHBondContact O-N 2.93Å; E166-R168 PolarHBondContact O-N 3.27Å
167	V	59	Low	65.4	Low	74 Å²	74	94.8 Å²	94.8	45%	0.448	52%	0.515	S	S	.	.			trans	-78.1	76.3	-173.7	-177.6	0	0	0	0	108.7	R139 Q165	R139-V167 HydrophobicContact CG-CG1 3.44Å; R139-V167 VanDerWaalsContact CG-CG1 3.44Å; Q165-V167 PolarHBondContact O-N 3.39Å
168	R	74.3	Confident	67.6	Low	185 Å²	185	94 Å²	94	70%	0.698	50%	0.5	S	S	*	.			trans	-55.3	123.2	-178.8	-69.8	-174.4	177.5	-179	-1.1	110.5	E166	E166-R168 PolarHBondContact O-N 3.27Å
169	P	78.7	Confident	70.2	Confident	47 Å²	47	90.5 Å²	90.5	31%	0.305	48%	0.476	S	S	.	.			trans	-68.1	155.6	-175.8	26.9	-34.5	0	0	0	112.4
170	V	81.1	Confident	72.2	Confident	9 Å²	9	84 Å²	84	6%	0.055	44%	0.441	C	S	.	.			trans	-103.5	78.9	-175.9	165.4	0	0	0	0	108.6	V106 R139 M140 S172 Q175 V176 L179	V106-V170 HydrophobicContact CG1-CG1 4.33Å; V106-V170 WeakPolarHBondContact CG1-O 3.44Å; R139-V170 HydrophobicContact CB-CB 4.11Å; R139-V170 HydrophobicContact CB-CG2 3.67Å; R139-V170 PolarHBondContact O-N 3.39Å; M140-V170 HydrophobicContact CG-CB 4.48Å; M140-V170 HydrophobicContact CG-CG1 4.2Å; V170-S172 VanDerWaalsContact C-N 3.26Å; V170-S172 PolarHBondContact O-N 3.02Å; V170-Q175 HydrophobicContact CG1-CB 3.77Å; V170-Q175 HydrophobicContact CG2-CB 4.48Å; V170-V176 HydrophobicContact CG1-CB 4.43Å; V170-V176 HydrophobicContact CG1-CG2 3.43Å; V170-V176 VanDerWaalsContact CG1-CG2 3.43Å; V170-L179 HydrophobicContact CG1-CD1 4.44Å; V170-L179 HydrophobicContact CG2-CD1 3.62Å
171	C	80.3	Confident	74.4	Confident	40 Å²	40	76 Å²	76	27%	0.27	41%	0.406	S	S	.	.			trans	-80.7	6.6	-170.3	-50.3	0	0	0	0	115.1	S102 S103	S102-C171 PolarHBondContact OG-O 2.94Å; S103-C171 PolarHBondContact N-O 2.71Å; S103-C171 WeakPolarHBondContact OG-CB 3.41Å
172	S	88.4	Confident	76.6	Confident	36 Å²	36	76.3 Å²	76.3	25%	0.252	40%	0.397	S	S	.	.	S	Bend	trans	-148.1	146	-176.5	75.4	0	0	0	0	115	V170 R174 Q175 V176	V170-S172 VanDerWaalsContact C-N 3.26Å; V170-S172 PolarHBondContact O-N 3.02Å; S172-R174 PolarHBondContact O-N 3.38Å; S172-R174 VanDerWaalsContact O-N 3.12Å; S172-Q175 WeakPolarHBondContact O-CB 3.47Å; S172-Q175 PolarHBondContact O-N 3.06Å; S172-Q175 PolarHBondContact OG-OE1 3.31Å; S172-V176 PolarHBondContact O-N 2.93Å
173	F	90.7	Very high	78.9	Confident	27 Å²	27	69 Å²	69	12%	0.118	37%	0.368	C	S	.	.	H	α-helix	trans	-55.8	-29.5	175.8	-47.4	-54.9	0	0	0	113.4	C53 L56 R57 L105 V106 V177	C53-F173 HydrophobicContact CB-CB 4.05Å; C53-F173 HydrophobicContact CB-CD1 4.48Å; C53-F173 WeakPolarHBondContact O-CB 3.31Å; L56-F173 HydrophobicContact CB-CD1 4.31Å; L56-F173 HydrophobicContact CB-CD2 4.07Å; L56-F173 HydrophobicContact CB-CE1 4.31Å; L56-F173 HydrophobicContact CB-CE2 4.06Å; L56-F173 HydrophobicContact CB-CG 4.21Å; L56-F173 HydrophobicContact CB-CZ 4.19Å; L56-F173 HydrophobicContact CD1-CD1 4.1Å; L56-F173 HydrophobicContact CD1-CE1 3.66Å; L56-F173 HydrophobicContact CD1-CZ 3.98Å; R57-F173 HydrophobicContact CG-CB 3.74Å; R57-F173 HydrophobicContact CG-CD2 4.49Å; L105-F173 HydrophobicContact CB-CE1 3.95Å; L105-F173 HydrophobicContact CB-CZ 3.85Å; L105-F173 HydrophobicContact CD1-CZ 4.07Å; V106-F173 HydrophobicContact CG2-CD1 3.5Å; V106-F173 HydrophobicContact CG2-CE1 3.68Å; V106-F173 HydrophobicContact CG2-CG 4.42Å; F173-V177 VanDerWaalsContact O-CG2 3.29Å; F173-V177 WeakPolarHBondContact O-CG2 3.35Å; F173-V177 PolarHBondContact O-N 3.12Å; F173-V177 VanDerWaalsContact O-N 3.12Å
174	R	91.4	Very high	81.1	Confident	171 Å²	171	64.8 Å²	64.8	65%	0.645	34%	0.336	S	S	*	.	H	α-helix	trans	-65.4	-41.2	176.3	-178.5	179.8	177.7	-157.2	-0.8	111.5	S172 V178	S172-R174 PolarHBondContact O-N 3.38Å; S172-R174 VanDerWaalsContact O-N 3.12Å; R174-V178 WeakPolarHBondContact O-CB 3.48Å; R174-V178 VanDerWaalsContact O-CG2 3.28Å; R174-V178 WeakPolarHBondContact O-CG2 3.43Å; R174-V178 PolarHBondContact O-N 2.76Å; R174-V178 VanDerWaalsContact O-N 3.08Å
175	Q	92.1	Very high	83.3	Confident	81 Å²	81	67.6 Å²	67.6	38%	0.379	35%	0.354	S	S	.	.	H	α-helix	trans	-67.6	-44.3	179	-72.9	160.5	-65.8	0	0	111	V170 S172 V177 V178 L179	V170-Q175 HydrophobicContact CG1-CB 3.77Å; V170-Q175 HydrophobicContact CG2-CB 4.48Å; S172-Q175 WeakPolarHBondContact O-CB 3.47Å; S172-Q175 PolarHBondContact O-N 3.06Å; S172-Q175 PolarHBondContact OG-OE1 3.31Å; Q175-V177 PolarHBondContact O-N 2.8Å; Q175-V178 PolarHBondContact O-N 3.36Å; Q175-L179 WeakPolarHBondContact O-CG 3.32Å; Q175-L179 PolarHBondContact O-N 3.14Å
176	V	93.4	Very high	85.4	Confident	0 Å²	0	64 Å²	64	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-56.6	-51.5	175.4	-177.5	0	0	0	0	111	C49 C53 V106 M140 V170 S172 V178 L179 C180	C49-V176 HydrophobicContact CB-CG1 4.28Å; C53-V176 HydrophobicContact CB-CB 4.11Å; C53-V176 HydrophobicContact CB-CG1 4.17Å; C53-V176 VanDerWaalsContact SG-CG1 3.58Å; V106-V176 HydrophobicContact CG1-CG2 3.73Å; V106-V176 HydrophobicContact CG2-CG2 4.29Å; M140-V176 HydrophobicContact CE-CG1 4.25Å; M140-V176 HydrophobicContact CE-CG2 4.16Å; M140-V176 HydrophobicContact CG-CG2 4.06Å; M140-V176 HydrophobicContact SD-CG1 3.91Å; M140-V176 HydrophobicContact SD-CG2 3.91Å; V170-V176 HydrophobicContact CG1-CB 4.43Å; V170-V176 HydrophobicContact CG1-CG2 3.43Å; V170-V176 VanDerWaalsContact CG1-CG2 3.43Å; S172-V176 PolarHBondContact O-N 2.93Å; V176-V178 VanDerWaalsContact C-N 3.32Å; V176-V178 PolarHBondContact O-N 3.42Å; V176-L179 PolarHBondContact O-N 3.3Å; V176-C180 WeakPolarHBondContact O-CB 3.41Å; V176-C180 PolarHBondContact O-N 3.16Å; V176-C180 PolarHBondContact O-SG 3.15Å
177	V	94.7	Very high	87.3	Confident	11 Å²	11	59.9 Å²	59.9	7%	0.067	33%	0.326	C	S	.	.	H	α-helix	trans	-59.9	-40.3	-179.9	169.3	0	0	0	0	112	Y50 C53 S54 F173 Q175 A181	Y50-V177 HydrophobicContact CD2-CG1 4.14Å; Y50-V177 HydrophobicContact CE2-CG1 3.62Å; C53-V177 HydrophobicContact CB-CG2 3.64Å; S54-V177 WeakPolarHBondContact OG-CG2 3.42Å; F173-V177 VanDerWaalsContact O-CG2 3.29Å; F173-V177 WeakPolarHBondContact O-CG2 3.35Å; F173-V177 PolarHBondContact O-N 3.12Å; F173-V177 VanDerWaalsContact O-N 3.12Å; Q175-V177 PolarHBondContact O-N 2.8Å; V177-A181 WeakPolarHBondContact O-CB 3.46Å; V177-A181 PolarHBondContact O-N 3.41Å
178	V	94	Very high	88.9	Confident	84 Å²	84	60.2 Å²	60.2	51%	0.509	33%	0.332	S	S	.	.	H	α-helix	trans	-66.9	-42.9	176.4	168.4	0	0	0	0	111.7	R174 Q175 V176 A181 S182	R174-V178 WeakPolarHBondContact O-CB 3.48Å; R174-V178 VanDerWaalsContact O-CG2 3.28Å; R174-V178 WeakPolarHBondContact O-CG2 3.43Å; R174-V178 PolarHBondContact O-N 2.76Å; R174-V178 VanDerWaalsContact O-N 3.08Å; Q175-V178 PolarHBondContact O-N 3.36Å; V176-V178 VanDerWaalsContact C-N 3.32Å; V176-V178 PolarHBondContact O-N 3.42Å; V178-A181 PolarHBondContact O-N 3.44Å; V178-S182 VanDerWaalsContact O-CB 3.3Å; V178-S182 WeakPolarHBondContact O-CB 3.41Å; V178-S182 PolarHBondContact O-N 3.21Å; V178-S182 PolarHBondContact O-OG 3Å
179	L	93.9	Very high	89.7	Confident	51 Å²	51	55 Å²	55	27%	0.267	32%	0.318	S	S	.	.	H	α-helix	trans	-63.5	-47.7	177.3	-71.2	169.8	0	0	0	111.4	L136 V170 Q175 V176 A181 S182 R183	L136-L179 HydrophobicContact CD1-CB 4.15Å; L136-L179 HydrophobicContact CD1-CD1 3.77Å; V170-L179 HydrophobicContact CG1-CD1 4.44Å; V170-L179 HydrophobicContact CG2-CD1 3.62Å; Q175-L179 WeakPolarHBondContact O-CG 3.32Å; Q175-L179 PolarHBondContact O-N 3.14Å; V176-L179 PolarHBondContact O-N 3.3Å; L179-A181 VanDerWaalsContact C-N 3.31Å; L179-A181 PolarHBondContact O-N 2.97Å; L179-S182 WeakPolarHBondContact CA-OG 3.34Å; L179-S182 PolarHBondContact O-N 3.42Å; L179-S182 VanDerWaalsContact O-N 3.12Å; L179-S182 PolarHBondContact O-OG 3.23Å; L179-R183 PolarHBondContact O-N 2.79Å
180	C	94.3	Very high	90.3	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-60.6	-38.3	177.1	-64.6	0	0	0	0	112.4	W46 Y50 V176 Y194	W46-C180 HydrophobicContact CE3-CB 4.08Å; W46-C180 HydrophobicContact CZ3-CB 4.41Å; Y50-C180 HydrophobicContact CD2-CB 3.78Å; Y50-C180 HydrophobicContact CG-CB 4.39Å; V176-C180 WeakPolarHBondContact O-CB 3.41Å; V176-C180 PolarHBondContact O-N 3.16Å; V176-C180 PolarHBondContact O-SG 3.15Å; C180-Y194 HydrophobicContact CB-CE2 4.2Å; C180-Y194 WeakPolarHBondContact O-CE2 3.4Å; C180-Y194 PolarHBondContact O-OH 3.22Å
181	A	93.8	Very high	90.8	Very high	14 Å²	14	55.1 Å²	55.1	12%	0.116	32%	0.319	C	S	.	.	H	α-helix	trans	-70.5	-38.3	173.7	0	0	0	0	0	112.5	Y50 V177 V178 L179 R183 L184 P187 A190	Y50-A181 HydrophobicContact CE2-CB 4.29Å; V177-A181 WeakPolarHBondContact O-CB 3.46Å; V177-A181 PolarHBondContact O-N 3.41Å; V178-A181 PolarHBondContact O-N 3.44Å; L179-A181 VanDerWaalsContact C-N 3.31Å; L179-A181 PolarHBondContact O-N 2.97Å; A181-R183 PolarHBondContact O-N 3Å; A181-L184 PolarHBondContact O-N 3.08Å; A181-L184 VanDerWaalsContact O-N 3.14Å; A181-P187 HydrophobicContact CB-CB 4.16Å; A181-P187 WeakPolarHBondContact O-CA 3.44Å; A181-P187 WeakPolarHBondContact O-CB 3.46Å; A181-A190 HydrophobicContact CB-CB 3.71Å
182	S	92.1	Very high	91.3	Very high	75 Å²	75	59.9 Å²	59.9	52%	0.524	34%	0.337	S	S	.	.	H	α-helix	trans	-68	-16.9	-174.6	70.9	0	0	0	0	115.2	V178 L179 L184	V178-S182 VanDerWaalsContact O-CB 3.3Å; V178-S182 WeakPolarHBondContact O-CB 3.41Å; V178-S182 PolarHBondContact O-N 3.21Å; V178-S182 PolarHBondContact O-OG 3Å; L179-S182 WeakPolarHBondContact CA-OG 3.34Å; L179-S182 PolarHBondContact O-N 3.42Å; L179-S182 VanDerWaalsContact O-N 3.12Å; L179-S182 PolarHBondContact O-OG 3.23Å; S182-L184 VanDerWaalsContact C-N 3.34Å
183	R	89.6	Confident	91.4	Very high	63 Å²	63	59.1 Å²	59.1	24%	0.238	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-23.4	174.2	93.8	-175.4	-166.9	104.6	5.1	113	E43 W46 L179 A181 Y194	E43-R183 IonicContact OE1-CZ 2.66Å; E43-R183 IonicContact OE1-NH2 2.62Å; E43-R183 PolarHBondContact OE1-NH2 2.75Å; E43-R183 IonicContact OE2-CZ 2.82Å; E43-R183 IonicContact OE2-NH2 3.59Å; E43-R183 PolarHBondContact OE2-NH2 2.74Å; W46-R183 VanDerWaalsContact CG-NE 3.28Å; L179-R183 PolarHBondContact O-N 2.79Å; A181-R183 PolarHBondContact O-N 3Å; R183-Y194 PolarHBondContact NE-OH 3.27Å
184	L	86.6	Confident	91.6	Very high	30 Å²	30	57.8 Å²	57.8	16%	0.157	32%	0.323	C	S	.	.	S	Bend	trans	-80	138.6	-177.8	-58.4	-176.9	0	0	0	109.8	A181 S182 N186 P187 A190 H193 Y194	A181-L184 PolarHBondContact O-N 3.08Å; A181-L184 VanDerWaalsContact O-N 3.14Å; S182-L184 VanDerWaalsContact C-N 3.34Å; L184-N186 PolarHBondContact O-N 3.01Å; L184-P187 WeakPolarHBondContact O-CD 3.48Å; L184-A190 HydrophobicContact CD1-CB 3.85Å; L184-H193 HydrophobicContact CD1-CB 4.41Å; L184-Y194 HydrophobicContact CD1-CE2 3.94Å; L184-Y194 HydrophobicContact CG-CE2 4.43Å
185	A	87.5	Confident	91.8	Very high	117 Å²	117	53 Å²	53	97%	0.967	31%	0.309	S	S	*	.	S	Bend	trans	-57.3	-23.7	179.2	0	0	0	0	0	113.7
186	N	86.5	Confident	91.6	Very high	76 Å²	76	49.7 Å²	49.7	41%	0.406	30%	0.295	S	S	.	.	S	Bend	trans	-130	106.7	160.4	179.4	7.4	0	0	0	110.1	L184 S188 L189	L184-N186 PolarHBondContact O-N 3.01Å; N186-S188 PolarHBondContact ND2-OG 3.06Å; N186-S188 PolarHBondContact O-N 3.17Å; N186-S188 VanDerWaalsContact O-N 3.11Å; N186-S188 WeakPolarHBondContact OD1-CB 3.29Å; N186-S188 PolarHBondContact OD1-N 2.96Å; N186-S188 PolarHBondContact OD1-OG 2.98Å; N186-L189 HydrophobicContact CB-CD1 4.2Å; N186-L189 HydrophobicContact CB-CG 4.29Å; N186-L189 PolarHBondContact O-N 3.11Å
187	P	91.8	Very high	91.5	Very high	66 Å²	66	49.8 Å²	49.8	43%	0.429	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-60.3	-18.8	178.6	-27.4	36.8	0	0	0	115.1	A181 L184 L189 A190	A181-P187 HydrophobicContact CB-CB 4.16Å; A181-P187 WeakPolarHBondContact O-CA 3.44Å; A181-P187 WeakPolarHBondContact O-CB 3.46Å; L184-P187 WeakPolarHBondContact O-CD 3.48Å; P187-L189 PolarHBondContact O-N 3.37Å; P187-A190 WeakPolarHBondContact O-CB 3.26Å; P187-A190 PolarHBondContact O-N 3.14Å
188	S	91.2	Very high	91.6	Very high	81 Å²	81	49.2 Å²	49.2	57%	0.566	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-69	-21.9	178.4	82.7	0	0	0	0	113.3	N186 A190 P191	N186-S188 PolarHBondContact ND2-OG 3.06Å; N186-S188 PolarHBondContact O-N 3.17Å; N186-S188 VanDerWaalsContact O-N 3.11Å; N186-S188 WeakPolarHBondContact OD1-CB 3.29Å; N186-S188 PolarHBondContact OD1-N 2.96Å; N186-S188 PolarHBondContact OD1-OG 2.98Å; S188-A190 VanDerWaalsContact C-N 3.33Å; S188-P191 WeakPolarHBondContact O-CD 3.46Å
189	L	90.7	Very high	91.5	Very high	76 Å²	76	48.3 Å²	48.3	40%	0.398	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-84	-7.8	-179.9	-59.4	178.6	0	0	0	113	N186 P187 E192 H193	N186-L189 HydrophobicContact CB-CD1 4.2Å; N186-L189 HydrophobicContact CB-CG 4.29Å; N186-L189 PolarHBondContact O-N 3.11Å; P187-L189 PolarHBondContact O-N 3.37Å; L189-E192 PolarHBondContact O-N 2.94Å; L189-H193 VanDerWaalsContact O-CB 3.24Å; L189-H193 WeakPolarHBondContact O-CB 3.43Å; L189-H193 PolarHBondContact O-N 3.11Å
190	A	91.4	Very high	91.3	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-53.4	-40.8	-176.9	0	0	0	0	0	115.1	Y50 A181 L184 P187 S188 Y194	Y50-A190 HydrophobicContact CD2-CB 4.34Å; Y50-A190 HydrophobicContact CE2-CB 3.62Å; A181-A190 HydrophobicContact CB-CB 3.71Å; L184-A190 HydrophobicContact CD1-CB 3.85Å; P187-A190 WeakPolarHBondContact O-CB 3.26Å; P187-A190 PolarHBondContact O-N 3.14Å; S188-A190 VanDerWaalsContact C-N 3.33Å; A190-Y194 HydrophobicContact CB-CD2 4.01Å; A190-Y194 HydrophobicContact CB-CE2 3.99Å; A190-Y194 WeakPolarHBondContact O-CB 3.41Å; A190-Y194 WeakPolarHBondContact O-CD2 3.21Å; A190-Y194 PolarHBondContact O-N 3.38Å
191	P	92.8	Very high	91.1	Very high	59 Å²	59	46.3 Å²	46.3	38%	0.383	27%	0.27	S	S	.	.	H	α-helix	trans	-62.3	-50.2	177.8	-15.9	27.6	0	0	0	112.3	Y50 S188 Q195	Y50-P191 WeakPolarHBondContact OH-CG 3.43Å; S188-P191 WeakPolarHBondContact O-CD 3.46Å; P191-Q195 WeakPolarHBondContact O-CB 3.22Å; P191-Q195 PolarHBondContact O-N 3.13Å; P191-Q195 VanDerWaalsContact O-N 3.07Å
192	E	91.4	Very high	91.1	Very high	139 Å²	139	45.7 Å²	45.7	65%	0.65	26%	0.264	S	S	*	.	H	α-helix	trans	-69	-43.5	-176.2	-61.6	179.3	169.2	0	0	111.3	L189 A196	L189-E192 PolarHBondContact O-N 2.94Å; E192-A196 VanDerWaalsContact O-CB 3.3Å; E192-A196 WeakPolarHBondContact O-CB 3.29Å; E192-A196 PolarHBondContact O-N 3.11Å
193	H	89.9	Confident	91	Very high	20 Å²	20	43.6 Å²	43.6	9%	0.093	25%	0.248	C	C	.	.	H	α-helix	trans	-62.9	-54.3	179.4	178.4	71.7	0	0	0	112.1	E43 L184 L189 Q195 A196 V197	E43-H193 IonicContact OE1-CD2 3.89Å; E43-H193 IonicContact OE1-CE1 2.62Å; E43-H193 IonicContact OE1-NE2 2.68Å; E43-H193 PolarHBondContact OE1-NE2 3.17Å; L184-H193 HydrophobicContact CD1-CB 4.41Å; L189-H193 VanDerWaalsContact O-CB 3.24Å; L189-H193 WeakPolarHBondContact O-CB 3.43Å; L189-H193 PolarHBondContact O-N 3.11Å; H193-Q195 VanDerWaalsContact C-N 3.33Å; H193-Q195 PolarHBondContact O-N 2.88Å; H193-A196 WeakPolarHBondContact O-CB 3.33Å; H193-A196 PolarHBondContact O-N 2.73Å; H193-A196 VanDerWaalsContact O-N 3.08Å; H193-V197 WeakPolarHBondContact O-CG2 3.14Å; H193-V197 PolarHBondContact O-N 3.45Å
194	Y	94.7	Very high	90.9	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-71.4	-28	-177.9	-65.9	-50.1	0	0	0	112.6	W46 A47 Y50 C180 R183 L184 A190 C198	W46-Y194 HydrophobicContact CB-CE1 3.79Å; A47-Y194 VanDerWaalsContact CA-CD1 3.43Å; A47-Y194 HydrophobicContact CB-CD1 3.69Å; A47-Y194 HydrophobicContact CB-CG 4.28Å; Y50-Y194 AromaticContact CD1-CD2 3.72Å; Y50-Y194 HydrophobicContact CD1-CD2 3.72Å; Y50-Y194 HydrophobicContact CD1-CG 4.18Å; Y50-Y194 AromaticContact CD2-CD2 3.48Å; Y50-Y194 HydrophobicContact CD2-CD2 3.48Å; Y50-Y194 VanDerWaalsContact CD2-CD2 3.48Å; Y50-Y194 AromaticContact CD2-CE2 3.77Å; Y50-Y194 HydrophobicContact CD2-CE2 3.77Å; Y50-Y194 HydrophobicContact CE1-CD2 4.32Å; Y50-Y194 HydrophobicContact CE2-CD2 4.09Å; Y50-Y194 HydrophobicContact CE2-CE2 4.44Å; Y50-Y194 AromaticContact CG-CD2 3.27Å; Y50-Y194 HydrophobicContact CG-CD2 3.27Å; Y50-Y194 AromaticContact CG-CE2 3.96Å; Y50-Y194 HydrophobicContact CG-CE2 3.96Å; Y50-Y194 AromaticContact CG-CG 3.97Å; Y50-Y194 HydrophobicContact CG-CG 3.97Å; C180-Y194 HydrophobicContact CB-CE2 4.2Å; C180-Y194 WeakPolarHBondContact O-CE2 3.4Å; C180-Y194 PolarHBondContact O-OH 3.22Å; R183-Y194 PolarHBondContact NE-OH 3.27Å; L184-Y194 HydrophobicContact CD1-CE2 3.94Å; L184-Y194 HydrophobicContact CG-CE2 4.43Å; A190-Y194 HydrophobicContact CB-CD2 4.01Å; A190-Y194 HydrophobicContact CB-CE2 3.99Å; A190-Y194 WeakPolarHBondContact O-CB 3.41Å; A190-Y194 WeakPolarHBondContact O-CD2 3.21Å; A190-Y194 PolarHBondContact O-N 3.38Å; Y194-C198 PolarHBondContact O-N 2.85Å; Y194-C198 VanDerWaalsContact O-N 3.1Å
195	Q	94.5	Very high	91.1	Very high	71 Å²	71	39.9 Å²	39.9	33%	0.332	23%	0.233	S	C	.	.	H	α-helix	trans	-66.2	-38.2	167.3	-172.7	175.9	7.4	0	0	112.2	D80 P191 H193 R199	D80-Q195 VanDerWaalsContact O-CG 3.23Å; D80-Q195 WeakPolarHBondContact O-CG 3.43Å; D80-Q195 PolarHBondContact O-NE2 2.93Å; P191-Q195 WeakPolarHBondContact O-CB 3.22Å; P191-Q195 PolarHBondContact O-N 3.13Å; P191-Q195 VanDerWaalsContact O-N 3.07Å; H193-Q195 VanDerWaalsContact C-N 3.33Å; H193-Q195 PolarHBondContact O-N 2.88Å; Q195-R199 VanDerWaalsContact O-CB 3.27Å; Q195-R199 WeakPolarHBondContact O-CB 3.47Å; Q195-R199 PolarHBondContact O-N 3.39Å
196	A	89.6	Confident	91.2	Very high	11 Å²	11	35.5 Å²	35.5	9%	0.091	19%	0.193	C	C	.	.	H	α-helix	trans	-64.1	-48.2	175.1	0	0	0	0	0	111.9	E192 H193 C198 R199 A200 F279	E192-A196 VanDerWaalsContact O-CB 3.3Å; E192-A196 WeakPolarHBondContact O-CB 3.29Å; E192-A196 PolarHBondContact O-N 3.11Å; H193-A196 WeakPolarHBondContact O-CB 3.33Å; H193-A196 PolarHBondContact O-N 2.73Å; H193-A196 VanDerWaalsContact O-N 3.08Å; A196-C198 PolarHBondContact O-N 3.4Å; A196-R199 PolarHBondContact O-N 2.81Å; A196-A200 WeakPolarHBondContact O-CB 3.26Å; A196-A200 PolarHBondContact O-N 3.31Å; A196-F279 HydrophobicContact CB-CB 4.16Å; A196-F279 WeakPolarHBondContact CB-O 3.44Å
197	V	91.3	Very high	91.2	Very high	1 Å²	1	34 Å²	34	1%	0.006	18%	0.183	C	C	.	.	H	α-helix	trans	-58	-48	176.7	176.7	0	0	0	0	111.7	E43 Q44 A47 H193 A200 L201 F279	E43-V197 HydrophobicContact CG-CG1 4.34Å; E43-V197 HydrophobicContact CG-CG2 3.95Å; Q44-V197 HydrophobicContact CG-CG1 4.1Å; A47-V197 HydrophobicContact CB-CB 3.7Å; A47-V197 HydrophobicContact CB-CG1 3.54Å; H193-V197 WeakPolarHBondContact O-CG2 3.14Å; H193-V197 PolarHBondContact O-N 3.45Å; V197-A200 PolarHBondContact O-N 3.4Å; V197-L201 WeakPolarHBondContact O-CB 3.35Å; V197-L201 PolarHBondContact O-N 2.98Å; V197-F279 HydrophobicContact CB-CG 4.44Å; V197-F279 HydrophobicContact CG2-CB 4.1Å; V197-F279 HydrophobicContact CG2-CD1 4.29Å; V197-F279 HydrophobicContact CG2-CD2 3.66Å; V197-F279 HydrophobicContact CG2-CE2 4.18Å; V197-F279 HydrophobicContact CG2-CG 3.73Å
198	C	95.2	Very high	91	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-67	-35.6	178.2	-74.7	0	0	0	0	113.1	G81 V83 Y194 A196 F202	G81-C198 VanDerWaalsContact O-CB 3.29Å; G81-C198 WeakPolarHBondContact O-CB 3.33Å; V83-C198 HydrophobicContact CG2-CB 4.2Å; Y194-C198 PolarHBondContact O-N 2.85Å; Y194-C198 VanDerWaalsContact O-N 3.1Å; A196-C198 PolarHBondContact O-N 3.4Å; C198-F202 WeakPolarHBondContact O-CB 3.37Å; C198-F202 PolarHBondContact O-N 3.26Å; C198-F202 VanDerWaalsContact O-N 3.08Å
199	R	93.1	Very high	90.8	Very high	65 Å²	65	29.4 Å²	29.4	25%	0.245	15%	0.147	C	C	.	.	H	α-helix	trans	-65.8	-47.2	174.6	179.9	178.5	67.5	-98.1	-0.5	111.6	Q195 A196 F202 V203 S280	Q195-R199 VanDerWaalsContact O-CB 3.27Å; Q195-R199 WeakPolarHBondContact O-CB 3.47Å; Q195-R199 PolarHBondContact O-N 3.39Å; A196-R199 PolarHBondContact O-N 2.81Å; R199-F202 PolarHBondContact O-N 2.98Å; R199-V203 HydrophobicContact CG-CG2 4.43Å; R199-V203 WeakPolarHBondContact O-CG2 3.17Å; R199-V203 PolarHBondContact O-N 3Å; R199-S280 PolarHBondContact NH2-O 3.1Å
200	A	89	Confident	90.6	Very high	5 Å²	5	28.9 Å²	28.9	4%	0.041	15%	0.148	C	C	.	.	H	α-helix	trans	-58.7	-49.2	178.4	0	0	0	0	0	110.6	A196 V197 F202 V203 E204 F279	A196-A200 WeakPolarHBondContact O-CB 3.26Å; A196-A200 PolarHBondContact O-N 3.31Å; V197-A200 PolarHBondContact O-N 3.4Å; A200-F202 VanDerWaalsContact C-N 3.33Å; A200-F202 PolarHBondContact O-N 2.89Å; A200-V203 PolarHBondContact O-N 3.1Å; A200-E204 WeakPolarHBondContact O-CB 3.25Å; A200-E204 VanDerWaalsContact O-CG 3.3Å; A200-E204 WeakPolarHBondContact O-CG 3.3Å; A200-E204 PolarHBondContact O-N 3.42Å; A200-F279 HydrophobicContact CB-CB 4.25Å; A200-F279 HydrophobicContact CB-CD1 4.26Å
201	L	91	Very high	90.3	Very high	4 Å²	4	31.4 Å²	31.4	2%	0.021	16%	0.158	C	C	.	.	H	α-helix	trans	-56.6	-43.5	176.4	-177.7	56.5	0	0	0	112.7	V32 Q44 L77 V197 T205	V32-L201 HydrophobicContact CG1-CD1 3.67Å; V32-L201 HydrophobicContact CG1-CD2 4.38Å; V32-L201 HydrophobicContact CG1-CG 4.12Å; Q44-L201 HydrophobicContact CB-CD2 4.21Å; Q44-L201 HydrophobicContact CG-CD2 4.03Å; L77-L201 HydrophobicContact CD2-CB 4.47Å; L77-L201 HydrophobicContact CD2-CD2 3.84Å; L77-L201 HydrophobicContact CD2-CG 4.15Å; V197-L201 WeakPolarHBondContact O-CB 3.35Å; V197-L201 PolarHBondContact O-N 2.98Å; L201-T205 WeakPolarHBondContact O-CB 3.3Å; L201-T205 PolarHBondContact O-N 3.03Å; L201-T205 VanDerWaalsContact O-N 3.13Å; L201-T205 PolarHBondContact O-OG1 2.83Å
202	F	93.8	Very high	89.8	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-62	-51.3	176.8	177.7	-84.5	0	0	0	112.4	L27 L77 R79 C198 R199 A200 T205 L206	L27-F202 HydrophobicContact CB-CD2 4.06Å; L27-F202 HydrophobicContact CB-CE2 4Å; L27-F202 HydrophobicContact CD1-CD2 3.98Å; L27-F202 HydrophobicContact CD1-CE2 4.08Å; L27-F202 HydrophobicContact CD1-CG 4.49Å; L27-F202 HydrophobicContact CG-CD2 4.09Å; L27-F202 HydrophobicContact CG-CE2 3.78Å; L27-F202 HydrophobicContact CG-CZ 4.47Å; L77-F202 HydrophobicContact CB-CD2 4.12Å; L77-F202 WeakPolarHBondContact O-CD2 3.13Å; L77-F202 WeakPolarHBondContact O-CE2 3.42Å; R79-F202 VanDerWaalsContact CA-CE1 3.49Å; R79-F202 HydrophobicContact CB-CD1 4.15Å; R79-F202 HydrophobicContact CB-CE1 3.58Å; R79-F202 HydrophobicContact CB-CZ 3.97Å; R79-F202 HydrophobicContact CG-CD1 4.34Å; R79-F202 HydrophobicContact CG-CE1 3.85Å; C198-F202 WeakPolarHBondContact O-CB 3.37Å; C198-F202 PolarHBondContact O-N 3.26Å; C198-F202 VanDerWaalsContact O-N 3.08Å; R199-F202 PolarHBondContact O-N 2.98Å; A200-F202 VanDerWaalsContact C-N 3.33Å; A200-F202 PolarHBondContact O-N 2.89Å; F202-T205 PolarHBondContact O-N 2.68Å; F202-L206 HydrophobicContact CD1-CD1 4.12Å; F202-L206 HydrophobicContact CE1-CD1 3.39Å; F202-L206 HydrophobicContact CE1-CG 4.2Å; F202-L206 HydrophobicContact CZ-CD1 3.8Å; F202-L206 HydrophobicContact CZ-CG 4.49Å; F202-L206 PolarHBondContact O-N 2.85Å
203	V	90.1	Very high	89.4	Confident	31 Å²	31	25.8 Å²	25.8	19%	0.188	13%	0.131	C	C	.	.	H	α-helix	trans	-70.6	-42	-174.8	-177	0	0	0	0	111.2	R199 A200 T205 L206 E207 T282	R199-V203 HydrophobicContact CG-CG2 4.43Å; R199-V203 WeakPolarHBondContact O-CG2 3.17Å; R199-V203 PolarHBondContact O-N 3Å; A200-V203 PolarHBondContact O-N 3.1Å; V203-T205 VanDerWaalsContact C-N 3.28Å; V203-T205 PolarHBondContact O-N 3.29Å; V203-L206 PolarHBondContact O-N 3.38Å; V203-L206 VanDerWaalsContact O-N 3.09Å; V203-E207 HydrophobicContact CG1-CG 4.4Å; V203-E207 WeakPolarHBondContact O-CG 3.38Å; V203-E207 PolarHBondContact O-N 2.98Å; V203-T282 HydrophobicContact CB-CG2 3.87Å; V203-T282 HydrophobicContact CG1-CG2 3.64Å
204	E	87.6	Confident	89.2	Confident	16 Å²	16	31.4 Å²	31.4	8%	0.075	16%	0.156	C	C	.	.	H	α-helix	trans	-64.5	-32.8	177.8	-67.9	178	-172.5	0	0	112.1	Y36 A200 E207 L208 R259	Y36-E204 WeakPolarHBondContact OH-CB 3.5Å; Y36-E204 PolarHBondContact OH-O 3.03Å; A200-E204 WeakPolarHBondContact O-CB 3.25Å; A200-E204 VanDerWaalsContact O-CG 3.3Å; A200-E204 WeakPolarHBondContact O-CG 3.3Å; A200-E204 PolarHBondContact O-N 3.42Å; E204-E207 PolarHBondContact O-N 2.85Å; E204-L208 WeakPolarHBondContact O-CB 3.5Å; E204-L208 PolarHBondContact O-N 3.14Å; E204-R259 IonicContact OE1-CZ 2.7Å; E204-R259 IonicContact OE1-NE 2.71Å; E204-R259 IonicContact OE1-NH2 2.69Å; E204-R259 PolarHBondContact OE1-NH2 2.68Å; E204-R259 IonicContact OE2-NH2 2.83Å; E204-R259 PolarHBondContact OE2-NH2 2.85Å
205	T	90.6	Very high	88.6	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-64.1	-44.1	170.7	-56.3	0	0	0	0	111.5	L27 V32 L201 F202 V203 L208 Q209	L27-T205 HydrophobicContact CD1-CG2 3.79Å; V32-T205 HydrophobicContact CG2-CG2 4.15Å; L201-T205 WeakPolarHBondContact O-CB 3.3Å; L201-T205 PolarHBondContact O-N 3.03Å; L201-T205 VanDerWaalsContact O-N 3.13Å; L201-T205 PolarHBondContact O-OG1 2.83Å; F202-T205 PolarHBondContact O-N 2.68Å; V203-T205 VanDerWaalsContact C-N 3.28Å; V203-T205 PolarHBondContact O-N 3.29Å; T205-L208 PolarHBondContact O-N 3Å; T205-Q209 HydrophobicContact CG2-CG 4.4Å; T205-Q209 WeakPolarHBondContact O-CB 3.48Å; T205-Q209 VanDerWaalsContact O-CG 3.32Å; T205-Q209 WeakPolarHBondContact O-CG 3.43Å; T205-Q209 PolarHBondContact O-N 3.06Å
206	L	90	Very high	87.9	Confident	24 Å²	24	35.3 Å²	35.3	13%	0.126	17%	0.169	C	C	.	.	H	α-helix	trans	-66.2	-38.1	176.9	-71.8	-176.1	0	0	0	112.8	P24 L27 F202 V203 T210	P24-L206 HydrophobicContact CB-CD2 4.13Å; P24-L206 HydrophobicContact CG-CD2 3.72Å; L27-L206 HydrophobicContact CD1-CD2 3.79Å; L27-L206 HydrophobicContact CD1-CG 3.92Å; L27-L206 HydrophobicContact CD2-CD2 4.07Å; L27-L206 HydrophobicContact CG-CD2 4.14Å; F202-L206 HydrophobicContact CD1-CD1 4.12Å; F202-L206 HydrophobicContact CE1-CD1 3.39Å; F202-L206 HydrophobicContact CE1-CG 4.2Å; F202-L206 HydrophobicContact CZ-CD1 3.8Å; F202-L206 HydrophobicContact CZ-CG 4.49Å; F202-L206 PolarHBondContact O-N 2.85Å; V203-L206 PolarHBondContact O-N 3.38Å; V203-L206 VanDerWaalsContact O-N 3.09Å; L206-T210 VanDerWaalsContact O-CB 3.23Å; L206-T210 WeakPolarHBondContact O-CB 3.42Å; L206-T210 PolarHBondContact O-N 3.36Å; L206-T210 PolarHBondContact O-OG1 3.4Å
207	E	86.5	Confident	87.4	Confident	45 Å²	45	38.1 Å²	38.1	21%	0.21	18%	0.183	C	C	.	.	H	α-helix	trans	-64.4	-44.4	174.2	-68.1	-178.5	177.9	0	0	110.9	V203 E204 T210 F211 W251	V203-E207 HydrophobicContact CG1-CG 4.4Å; V203-E207 WeakPolarHBondContact O-CG 3.38Å; V203-E207 PolarHBondContact O-N 2.98Å; E204-E207 PolarHBondContact O-N 2.85Å; E207-T210 PolarHBondContact O-N 2.62Å; E207-F211 WeakPolarHBondContact O-CB 3.12Å; E207-F211 PolarHBondContact O-N 2.8Å; E207-W251 HydrophobicContact CB-CH2 4.11Å; E207-W251 HydrophobicContact CB-CZ2 3.54Å
208	L	86.4	Confident	86.9	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-62	-48.6	174.7	175.2	57	0	0	0	112.5	S35 Y36 E204 T205 T210 F211 L212 A248 W251	S35-L208 WeakPolarHBondContact O-CD2 3.41Å; Y36-L208 HydrophobicContact CD1-CD2 3.63Å; Y36-L208 HydrophobicContact CD2-CD2 3.89Å; Y36-L208 HydrophobicContact CE1-CD2 3.58Å; Y36-L208 HydrophobicContact CE2-CD2 3.83Å; Y36-L208 HydrophobicContact CG-CD2 3.79Å; E204-L208 WeakPolarHBondContact O-CB 3.5Å; E204-L208 PolarHBondContact O-N 3.14Å; T205-L208 PolarHBondContact O-N 3Å; L208-T210 VanDerWaalsContact C-N 3.28Å; L208-T210 PolarHBondContact O-N 2.96Å; L208-F211 HydrophobicContact CD1-CD1 4.29Å; L208-F211 WeakPolarHBondContact O-CB 3.39Å; L208-F211 PolarHBondContact O-N 3.45Å; L208-F211 VanDerWaalsContact O-N 3.12Å; L208-L212 HydrophobicContact CD1-CD1 3.91Å; L208-L212 HydrophobicContact CD1-CD2 4.39Å; L208-L212 HydrophobicContact CD1-CG 3.87Å; L208-L212 HydrophobicContact CG-CD1 4.04Å; L208-L212 HydrophobicContact CG-CG 4.42Å; L208-L212 WeakPolarHBondContact O-CG 3.46Å; L208-L212 PolarHBondContact O-N 2.8Å; L208-A248 HydrophobicContact CD1-CB 4.45Å; L208-A248 HydrophobicContact CD2-CB 4.3Å; L208-W251 HydrophobicContact CB-CG 4.44Å; L208-W251 HydrophobicContact CD1-CB 3.86Å; L208-W251 HydrophobicContact CD1-CD2 4.41Å; L208-W251 HydrophobicContact CD1-CG 3.75Å
209	Q	87.3	Confident	86.1	Confident	50 Å²	50	42.4 Å²	42.4	23%	0.234	21%	0.21	C	C	.	.	H	α-helix	trans	-58.3	-42.6	176	-74.8	177.5	2.1	0	0	111.2	S35 T205 F211 L212 V213	S35-Q209 WeakPolarHBondContact OG-CG 3.31Å; S35-Q209 PolarHBondContact OG-NE2 2.97Å; T205-Q209 HydrophobicContact CG2-CG 4.4Å; T205-Q209 WeakPolarHBondContact O-CB 3.48Å; T205-Q209 VanDerWaalsContact O-CG 3.32Å; T205-Q209 WeakPolarHBondContact O-CG 3.43Å; T205-Q209 PolarHBondContact O-N 3.06Å; Q209-F211 VanDerWaalsContact C-N 3.33Å; Q209-F211 PolarHBondContact O-N 3.28Å; Q209-L212 PolarHBondContact O-N 3.28Å; Q209-V213 WeakPolarHBondContact O-CB 3.46Å; Q209-V213 VanDerWaalsContact O-CG2 3.32Å; Q209-V213 WeakPolarHBondContact O-CG2 3.31Å; Q209-V213 PolarHBondContact O-N 2.96Å
210	T	86.1	Confident	85.4	Confident	66 Å²	66	43.4 Å²	43.4	41%	0.405	22%	0.218	S	C	.	.	H	α-helix	trans	-65.1	-36.6	176.6	-60.9	0	0	0	0	112	L206 E207 L208 K214	L206-T210 VanDerWaalsContact O-CB 3.23Å; L206-T210 WeakPolarHBondContact O-CB 3.42Å; L206-T210 PolarHBondContact O-N 3.36Å; L206-T210 PolarHBondContact O-OG1 3.4Å; E207-T210 PolarHBondContact O-N 2.62Å; L208-T210 VanDerWaalsContact C-N 3.28Å; L208-T210 PolarHBondContact O-N 2.96Å; T210-K214 HydrophobicContact CG2-CD 4.22Å; T210-K214 WeakPolarHBondContact O-CB 3.4Å; T210-K214 WeakPolarHBondContact O-CD 3.21Å; T210-K214 VanDerWaalsContact O-CG 3.24Å; T210-K214 WeakPolarHBondContact O-CG 3.43Å; T210-K214 PolarHBondContact O-N 3.17Å; T210-K214 VanDerWaalsContact O-N 3.09Å
211	F	85.1	Confident	84.8	Confident	52 Å²	52	48.1 Å²	48.1	23%	0.228	24%	0.24	C	C	.	.	H	α-helix	trans	-68.3	-47.9	176	173.9	-112.1	0	0	0	111.8	E207 L208 Q209 V213 K214 I215 W247 W251	E207-F211 WeakPolarHBondContact O-CB 3.12Å; E207-F211 PolarHBondContact O-N 2.8Å; L208-F211 HydrophobicContact CD1-CD1 4.29Å; L208-F211 WeakPolarHBondContact O-CB 3.39Å; L208-F211 PolarHBondContact O-N 3.45Å; L208-F211 VanDerWaalsContact O-N 3.12Å; Q209-F211 VanDerWaalsContact C-N 3.33Å; Q209-F211 PolarHBondContact O-N 3.28Å; F211-V213 PolarHBondContact O-N 2.88Å; F211-K214 PolarHBondContact O-N 3.03Å; F211-I215 HydrophobicContact CD1-CD1 3.74Å; F211-I215 HydrophobicContact CD2-CD1 4.06Å; F211-I215 HydrophobicContact CE1-CD1 3.44Å; F211-I215 VanDerWaalsContact CE1-CD1 3.44Å; F211-I215 HydrophobicContact CE2-CD1 3.78Å; F211-I215 HydrophobicContact CE2-CG1 4.48Å; F211-I215 HydrophobicContact CG-CD1 4.06Å; F211-I215 HydrophobicContact CZ-CD1 3.47Å; F211-I215 VanDerWaalsContact CZ-CD1 3.47Å; F211-I215 WeakPolarHBondContact O-CG1 3.31Å; F211-I215 PolarHBondContact O-N 3.3Å; F211-W247 HydrophobicContact CE1-CE3 4.05Å; F211-W247 AromaticContact CZ-CE3 3.96Å; F211-W247 HydrophobicContact CZ-CE3 3.96Å; F211-W247 HydrophobicContact CZ-CZ3 4.29Å; F211-W251 HydrophobicContact CB-CE3 3.98Å; F211-W251 HydrophobicContact CB-CZ3 3.91Å; F211-W251 HydrophobicContact CD1-CB 4.36Å; F211-W251 HydrophobicContact CD1-CD2 4.12Å; F211-W251 AromaticContact CD1-CE3 3.51Å; F211-W251 HydrophobicContact CD1-CE3 3.51Å; F211-W251 HydrophobicContact CD1-CG 4.48Å; F211-W251 HydrophobicContact CD1-CZ3 4.21Å; F211-W251 AromaticContact CD2-CE3 3.88Å; F211-W251 HydrophobicContact CD2-CE3 3.88Å; F211-W251 AromaticContact CD2-CZ3 3.81Å; F211-W251 HydrophobicContact CD2-CZ3 3.81Å; F211-W251 HydrophobicContact CE1-CB 4.19Å; F211-W251 HydrophobicContact CE1-CD2 4.5Å; F211-W251 AromaticContact CE1-CE3 3.79Å; F211-W251 HydrophobicContact CE1-CE3 3.79Å; F211-W251 HydrophobicContact CE2-CE3 4.14Å; F211-W251 HydrophobicContact CE2-CZ3 4.3Å; F211-W251 HydrophobicContact CG-CD2 4.41Å; F211-W251 AromaticContact CG-CE3 3.54Å; F211-W251 HydrophobicContact CG-CE3 3.54Å; F211-W251 AromaticContact CG-CZ3 3.74Å; F211-W251 HydrophobicContact CG-CZ3 3.74Å; F211-W251 HydrophobicContact CZ-CE3 4.09Å
212	L	82.8	Confident	83.9	Confident	26 Å²	26	53.3 Å²	53.3	14%	0.136	27%	0.267	C	S	.	.	H	α-helix	trans	-61.5	-41.7	176.5	-67.8	173.2	0	0	0	112	L208 Q209 I215 R216 W247	L208-L212 HydrophobicContact CD1-CD1 3.91Å; L208-L212 HydrophobicContact CD1-CD2 4.39Å; L208-L212 HydrophobicContact CD1-CG 3.87Å; L208-L212 HydrophobicContact CG-CD1 4.04Å; L208-L212 HydrophobicContact CG-CG 4.42Å; L208-L212 WeakPolarHBondContact O-CG 3.46Å; L208-L212 PolarHBondContact O-N 2.8Å; Q209-L212 PolarHBondContact O-N 3.28Å; L212-I215 PolarHBondContact O-N 3.29Å; L212-R216 WeakPolarHBondContact O-CB 3.5Å; L212-R216 PolarHBondContact O-N 3.33Å; L212-W247 HydrophobicContact CD2-CB 3.59Å; L212-W247 HydrophobicContact CD2-CG 4.45Å
213	V	83.6	Confident	83	Confident	54 Å²	54	58.5 Å²	58.5	33%	0.327	29%	0.29	S	S	.	.	H	α-helix	trans	-59.5	-48.3	172.7	163.9	0	0	0	0	111.1	Q209 F211 I215 R216 D217	Q209-V213 WeakPolarHBondContact O-CB 3.46Å; Q209-V213 VanDerWaalsContact O-CG2 3.32Å; Q209-V213 WeakPolarHBondContact O-CG2 3.31Å; Q209-V213 PolarHBondContact O-N 2.96Å; F211-V213 PolarHBondContact O-N 2.88Å; V213-I215 VanDerWaalsContact C-N 3.32Å; V213-I215 PolarHBondContact O-N 2.9Å; V213-R216 PolarHBondContact O-N 2.89Å; V213-D217 WeakPolarHBondContact O-CB 3.27Å; V213-D217 PolarHBondContact O-N 3.12Å
214	K	84.4	Confident	82.4	Confident	139 Å²	139	63.1 Å²	63.1	60%	0.604	31%	0.308	S	S	*	.	H	α-helix	trans	-60.3	-39.2	177	-75	165.6	-178	169.8	0	112.5	T210 F211 A218	T210-K214 HydrophobicContact CG2-CD 4.22Å; T210-K214 WeakPolarHBondContact O-CB 3.4Å; T210-K214 WeakPolarHBondContact O-CD 3.21Å; T210-K214 VanDerWaalsContact O-CG 3.24Å; T210-K214 WeakPolarHBondContact O-CG 3.43Å; T210-K214 PolarHBondContact O-N 3.17Å; T210-K214 VanDerWaalsContact O-N 3.09Å; F211-K214 PolarHBondContact O-N 3.03Å; K214-A218 WeakPolarHBondContact O-CB 3.11Å; K214-A218 PolarHBondContact O-N 3.48Å
215	I	82.1	Confident	81.5	Confident	30 Å²	30	65.7 Å²	65.7	15%	0.154	32%	0.321	C	S	.	.	H	α-helix	trans	-65.7	-47.6	176.2	-72.4	159.8	0	0	0	111.1	F211 L212 V213 D217 A218 K219 W247	F211-I215 HydrophobicContact CD1-CD1 3.74Å; F211-I215 HydrophobicContact CD2-CD1 4.06Å; F211-I215 HydrophobicContact CE1-CD1 3.44Å; F211-I215 VanDerWaalsContact CE1-CD1 3.44Å; F211-I215 HydrophobicContact CE2-CD1 3.78Å; F211-I215 HydrophobicContact CE2-CG1 4.48Å; F211-I215 HydrophobicContact CG-CD1 4.06Å; F211-I215 HydrophobicContact CZ-CD1 3.47Å; F211-I215 VanDerWaalsContact CZ-CD1 3.47Å; F211-I215 WeakPolarHBondContact O-CG1 3.31Å; F211-I215 PolarHBondContact O-N 3.3Å; L212-I215 PolarHBondContact O-N 3.29Å; V213-I215 VanDerWaalsContact C-N 3.32Å; V213-I215 PolarHBondContact O-N 2.9Å; I215-D217 PolarHBondContact O-N 3.22Å; I215-A218 PolarHBondContact O-N 3.02Å; I215-K219 HydrophobicContact CG2-CD 4.13Å; I215-K219 HydrophobicContact CG2-CG 4.42Å; I215-K219 WeakPolarHBondContact O-CB 3.41Å; I215-K219 WeakPolarHBondContact O-CG 3.3Å; I215-K219 PolarHBondContact O-N 3.38Å; I215-W247 HydrophobicContact CD1-CB 4.48Å; I215-W247 HydrophobicContact CD1-CD2 3.65Å; I215-W247 HydrophobicContact CD1-CE3 3.44Å; I215-W247 VanDerWaalsContact CD1-CE3 3.44Å; I215-W247 HydrophobicContact CD1-CG 4.11Å; I215-W247 HydrophobicContact CD1-CZ3 3.91Å; I215-W247 HydrophobicContact CG2-CD2 4.47Å; I215-W247 HydrophobicContact CG2-CZ2 4.38Å
216	R	80.7	Confident	80.1	Confident	123 Å²	123	69 Å²	69	46%	0.464	34%	0.344	S	S	.	.	H	α-helix	trans	-57.5	-50.1	176.4	-179.4	-161.4	65.8	-156.9	-2.7	110.9	L212 V213 A218 K219 E220	L212-R216 WeakPolarHBondContact O-CB 3.5Å; L212-R216 PolarHBondContact O-N 3.33Å; V213-R216 PolarHBondContact O-N 2.89Å; R216-A218 VanDerWaalsContact C-N 3.32Å; R216-A218 PolarHBondContact O-N 3.13Å; R216-K219 PolarHBondContact O-N 3.09Å; R216-E220 PolarHBondContact O-N 3.46Å
217	D	79.4	Confident	78.3	Confident	70 Å²	70	72.3 Å²	72.3	37%	0.374	37%	0.369	S	S	.	.	H	α-helix	trans	-67.7	-34.5	-175.8	-63.6	-4.5	0	0	0	111.3	V213 I215 M221	V213-D217 WeakPolarHBondContact O-CB 3.27Å; V213-D217 PolarHBondContact O-N 3.12Å; I215-D217 PolarHBondContact O-N 3.22Å; D217-M221 WeakPolarHBondContact O-CB 3.27Å; D217-M221 PolarHBondContact O-N 2.81Å
218	A	79.8	Confident	76.7	Confident	49 Å²	49	78.5 Å²	78.5	41%	0.405	40%	0.395	S	S	.	.	H	α-helix	trans	-67.6	-46.2	170.5	0	0	0	0	0	112.4	K214 I215 R216 E220 M221 L222	K214-A218 WeakPolarHBondContact O-CB 3.11Å; K214-A218 PolarHBondContact O-N 3.48Å; I215-A218 PolarHBondContact O-N 3.02Å; R216-A218 VanDerWaalsContact C-N 3.32Å; R216-A218 PolarHBondContact O-N 3.13Å; A218-E220 VanDerWaalsContact C-N 3.3Å; A218-E220 PolarHBondContact O-N 2.93Å; A218-M221 PolarHBondContact O-N 3.38Å; A218-M221 VanDerWaalsContact O-N 3.17Å; A218-L222 WeakPolarHBondContact O-CB 3.33Å; A218-L222 VanDerWaalsContact O-CG 3.31Å; A218-L222 WeakPolarHBondContact O-CG 3.39Å; A218-L222 PolarHBondContact O-N 3.34Å
219	K	78.1	Confident	74.9	Confident	42 Å²	42	85 Å²	85	18%	0.183	43%	0.426	C	S	.	.	H	α-helix	trans	-57.8	-42	174.1	-79.4	-177.8	168.3	-167.6	0	111.2	I215 R216 K223 L239 D240 L242	I215-K219 HydrophobicContact CG2-CD 4.13Å; I215-K219 HydrophobicContact CG2-CG 4.42Å; I215-K219 WeakPolarHBondContact O-CB 3.41Å; I215-K219 WeakPolarHBondContact O-CG 3.3Å; I215-K219 PolarHBondContact O-N 3.38Å; R216-K219 PolarHBondContact O-N 3.09Å; K219-K223 WeakPolarHBondContact O-CB 3.44Å; K219-K223 VanDerWaalsContact O-CG 3.31Å; K219-K223 WeakPolarHBondContact O-CG 3.47Å; K219-K223 PolarHBondContact O-N 3.03Å; K219-L239 WeakPolarHBondContact CE-O 3.49Å; K219-L239 PolarHBondContact NZ-O 3.25Å; K219-D240 WeakPolarHBondContact CD-OD1 3.4Å; K219-D240 VanDerWaalsContact CE-OD1 3.25Å; K219-D240 WeakPolarHBondContact CE-OD1 3.18Å; K219-D240 PolarHBondContact NZ-O 3.01Å; K219-D240 VanDerWaalsContact NZ-O 3.13Å; K219-D240 IonicContact NZ-OD1 3.23Å; K219-L242 PolarHBondContact NZ-O 3.4Å
220	E	78.4	Confident	73.1	Confident	85 Å²	85	87.1 Å²	87.1	40%	0.397	45%	0.452	S	S	.	.	H	α-helix	trans	-63.7	-45.1	173.2	-85.9	-163.6	-139.4	0	0	113	R216 A218 L222 K223 K224	R216-E220 PolarHBondContact O-N 3.46Å; A218-E220 VanDerWaalsContact C-N 3.3Å; A218-E220 PolarHBondContact O-N 2.93Å; E220-L222 VanDerWaalsContact C-N 3.35Å; E220-K223 PolarHBondContact O-N 3.15Å; E220-K224 WeakPolarHBondContact O-CB 3.38Å; E220-K224 WeakPolarHBondContact O-CD 3.35Å; E220-K224 WeakPolarHBondContact O-CG 3.34Å; E220-K224 PolarHBondContact O-N 3.28Å; E220-K224 WeakPolarHBondContact OE2-CE 3.46Å; E220-K224 IonicContact OE2-NZ 3.9Å; E220-K224 PolarHBondContact OE2-NZ 3.31Å
221	M	78.1	Confident	71.5	Confident	105 Å²	105	90.8 Å²	90.8	52%	0.517	47%	0.468	S	S	.	.	H	α-helix	trans	-62.2	-43.5	177.6	-169.9	-176.2	-61.1	0	0	111.2	D217 A218 K224 I225	D217-M221 WeakPolarHBondContact O-CB 3.27Å; D217-M221 PolarHBondContact O-N 2.81Å; A218-M221 PolarHBondContact O-N 3.38Å; A218-M221 VanDerWaalsContact O-N 3.17Å; M221-K224 PolarHBondContact O-N 2.99Å; M221-I225 HydrophobicContact CG-CD1 4.06Å; M221-I225 VanDerWaalsContact O-CG1 3.31Å; M221-I225 WeakPolarHBondContact O-CG1 3.48Å; M221-I225 PolarHBondContact O-N 2.99Å
222	L	72.3	Confident	70.1	Confident	112 Å²	112	96.4 Å²	96.4	59%	0.586	50%	0.495	S	S	*	.	H	α-helix	trans	-62.4	-42.3	175.5	-71.7	170.9	0	0	0	111.6	A218 E220 I225 S226	A218-L222 WeakPolarHBondContact O-CB 3.33Å; A218-L222 VanDerWaalsContact O-CG 3.31Å; A218-L222 WeakPolarHBondContact O-CG 3.39Å; A218-L222 PolarHBondContact O-N 3.34Å; E220-L222 VanDerWaalsContact C-N 3.35Å; L222-I225 PolarHBondContact O-N 3.34Å; L222-S226 WeakPolarHBondContact O-CB 3.31Å; L222-S226 PolarHBondContact O-N 3.49Å
223	K	73.9	Confident	68.6	Low	109 Å²	109	99.6 Å²	99.6	47%	0.474	51%	0.513	S	S	.	.	H	α-helix	trans	-63	-42.7	174.2	-75.4	166.9	-177.3	170.2	0	112.1	K219 E220 I225 S226 S227 D240	K219-K223 WeakPolarHBondContact O-CB 3.44Å; K219-K223 VanDerWaalsContact O-CG 3.31Å; K219-K223 WeakPolarHBondContact O-CG 3.47Å; K219-K223 PolarHBondContact O-N 3.03Å; E220-K223 PolarHBondContact O-N 3.15Å; K223-I225 VanDerWaalsContact C-N 3.27Å; K223-I225 PolarHBondContact O-N 2.97Å; K223-S226 PolarHBondContact O-N 3.21Å; K223-S227 WeakPolarHBondContact O-CB 3.21Å; K223-S227 PolarHBondContact O-N 2.88Å; K223-D240 WeakPolarHBondContact CE-OD2 3.23Å; K223-D240 VanDerWaalsContact NZ-CG 3.29Å; K223-D240 IonicContact NZ-OD1 2.67Å; K223-D240 PolarHBondContact NZ-OD1 3.2Å; K223-D240 VanDerWaalsContact NZ-OD1 3.12Å; K223-D240 IonicContact NZ-OD2 3.85Å; K223-D240 PolarHBondContact NZ-OD2 3.41Å
224	K	77.5	Confident	67.1	Low	129 Å²	129	104.1 Å²	104.1	56%	0.561	53%	0.53	S	S	*	.	H	α-helix	trans	-62.3	-30.7	174.5	-69.2	160.3	-166.9	170	0	112.4	E220 M221 S227	E220-K224 WeakPolarHBondContact O-CB 3.38Å; E220-K224 WeakPolarHBondContact O-CD 3.35Å; E220-K224 WeakPolarHBondContact O-CG 3.34Å; E220-K224 PolarHBondContact O-N 3.28Å; E220-K224 WeakPolarHBondContact OE2-CE 3.46Å; E220-K224 IonicContact OE2-NZ 3.9Å; E220-K224 PolarHBondContact OE2-NZ 3.31Å; M221-K224 PolarHBondContact O-N 2.99Å; K224-S227 PolarHBondContact O-OG 3.36Å
225	I	68.4	Low	65.4	Low	69 Å²	69	100.5 Å²	100.5	35%	0.354	52%	0.523	S	S	.	.	H	α-helix	trans	-80.4	-51.8	174.3	-66.7	163.7	0	0	0	111.6	M221 L222 K223 S227 K228	M221-I225 HydrophobicContact CG-CD1 4.06Å; M221-I225 VanDerWaalsContact O-CG1 3.31Å; M221-I225 WeakPolarHBondContact O-CG1 3.48Å; M221-I225 PolarHBondContact O-N 2.99Å; L222-I225 PolarHBondContact O-N 3.34Å; K223-I225 VanDerWaalsContact C-N 3.27Å; K223-I225 PolarHBondContact O-N 2.97Å; I225-S227 VanDerWaalsContact C-N 3.26Å; I225-S227 PolarHBondContact O-N 2.97Å; I225-K228 PolarHBondContact O-N 3.05Å; I225-K228 VanDerWaalsContact O-N 3.07Å
226	S	60.8	Low	64	Low	70 Å²	70	103 Å²	103	49%	0.49	54%	0.539	S	S	.	.	H	α-helix	trans	-58.6	-33.4	-177.4	178	0	0	0	0	113	L222 K223 K228 E229	L222-S226 WeakPolarHBondContact O-CB 3.31Å; L222-S226 PolarHBondContact O-N 3.49Å; K223-S226 PolarHBondContact O-N 3.21Å; S226-K228 PolarHBondContact O-N 3.03Å; S226-E229 CarbonylContact O-C 3.57Å; S226-E229 PolarHBondContact O-N 3.13Å
227	S	53.8	Low	62.8	Low	93 Å²	93	99.8 Å²	99.8	65%	0.65	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-15.5	172.2	71.9	0	0	0	0	115.8	K223 K224 I225	K223-S227 WeakPolarHBondContact O-CB 3.21Å; K223-S227 PolarHBondContact O-N 2.88Å; K224-S227 PolarHBondContact O-OG 3.36Å; I225-S227 VanDerWaalsContact C-N 3.26Å; I225-S227 PolarHBondContact O-N 2.97Å
228	K	51.8	Low	61.7	Low	175 Å²	175	102.8 Å²	102.8	76%	0.761	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.3	-15.9	175.6	-71.6	172.8	178.8	165.7	0	114.2	I225 S226	I225-K228 PolarHBondContact O-N 3.05Å; I225-K228 VanDerWaalsContact O-N 3.07Å; S226-K228 PolarHBondContact O-N 3.03Å
229	E	48.7	Very low	60.7	Low	136 Å²	136	105 Å²	105	64%	0.636	56%	0.555	S	S	*	*	S	Bend	trans	-138.9	65.7	-172.6	-67.1	-174.5	175.3	0	0	110.6	S226 L231	S226-E229 CarbonylContact O-C 3.57Å; S226-E229 PolarHBondContact O-N 3.13Å; E229-L231 PolarHBondContact O-N 3.47Å
230	A	50.4	Low	59.9	Low	96 Å²	96	106.1 Å²	106.1	79%	0.793	56%	0.564	S	S	*	*			trans	-68.9	97.7	176.4	0	0	0	0	0	112.1
231	L	51.2	Low	59.1	Low	142 Å²	142	105.5 Å²	105.5	74%	0.743	57%	0.573	S	S	*	*			trans	-153.5	118.4	146.2	-159.4	75.1	0	0	0	110.5	E229	E229-L231 PolarHBondContact O-N 3.47Å
232	E	55.6	Low	58.4	Low	170 Å²	170	102.9 Å²	102.9	79%	0.794	56%	0.561	S	S	*	*			trans	13.3	111.8	154.3	-64.6	151.6	-171.7	0	0	118.4
233	D	52.3	Low	58.6	Low	94 Å²	94	104.8 Å²	104.8	50%	0.503	56%	0.564	S	S	.	*			trans	-131.1	104	152.9	-170.1	-28.5	0	0	0	109.3	S235 T236	D233-S235 PolarHBondContact O-N 3.3Å; D233-S235 WeakPolarHBondContact OD1-CB 3.48Å; D233-S235 PolarHBondContact OD1-N 2.85Å; D233-S235 VanDerWaalsContact OD1-N 3.1Å; D233-S235 PolarHBondContact OD1-OG 3.02Å; D233-T236 HydrophobicContact CB-CG2 3.99Å; D233-T236 PolarHBondContact O-N 2.74Å; D233-T236 VanDerWaalsContact O-N 3.12Å; D233-T236 PolarHBondContact O-OG1 3.12Å
234	Q	51.8	Low	58.5	Low	149 Å²	149	105.3 Å²	105.3	70%	0.696	57%	0.568	S	S	*	*	H	α-helix	trans	-57.3	-35.7	-174.9	-150.4	79.9	12.3	0	0	112.3	T236 A237	Q234-T236 PolarHBondContact O-N 2.95Å; Q234-A237 WeakPolarHBondContact O-CB 3.24Å; Q234-A237 PolarHBondContact O-N 2.91Å; Q234-A237 VanDerWaalsContact O-N 3.08Å
235	S	49.4	Very low	58.4	Low	63 Å²	63	105 Å²	105	44%	0.441	56%	0.563	S	S	.	*	H	α-helix	trans	-67.1	-27.5	-177.8	70.4	0	0	0	0	112.6	D233 A237	D233-S235 PolarHBondContact O-N 3.3Å; D233-S235 WeakPolarHBondContact OD1-CB 3.48Å; D233-S235 PolarHBondContact OD1-N 2.85Å; D233-S235 VanDerWaalsContact OD1-N 3.1Å; D233-S235 PolarHBondContact OD1-OG 3.02Å; S235-A237 VanDerWaalsContact C-N 3.35Å
236	T	52.5	Low	59	Low	82 Å²	82	103.1 Å²	103.1	50%	0.503	55%	0.554	S	S	.	*	H	α-helix	trans	-73	-29.7	175.1	67.3	0	0	0	0	112	D233 Q234 L239 D240	D233-T236 HydrophobicContact CB-CG2 3.99Å; D233-T236 PolarHBondContact O-N 2.74Å; D233-T236 VanDerWaalsContact O-N 3.12Å; D233-T236 PolarHBondContact O-OG1 3.12Å; Q234-T236 PolarHBondContact O-N 2.95Å; T236-L239 PolarHBondContact O-N 3.3Å; T236-D240 WeakPolarHBondContact O-CB 3.42Å; T236-D240 PolarHBondContact O-N 3.46Å
237	A	54.1	Low	60	Low	56 Å²	56	101.7 Å²	101.7	46%	0.463	54%	0.538	S	S	.	.	H	α-helix	trans	-69.1	-36.3	-179.2	0	0	0	0	0	112.5	Q234 S235 D240 A241	Q234-A237 WeakPolarHBondContact O-CB 3.24Å; Q234-A237 PolarHBondContact O-N 2.91Å; Q234-A237 VanDerWaalsContact O-N 3.08Å; S235-A237 VanDerWaalsContact C-N 3.35Å; A237-D240 PolarHBondContact O-N 2.95Å; A237-A241 WeakPolarHBondContact O-CB 3.45Å; A237-A241 PolarHBondContact O-N 2.63Å
238	E	57.5	Low	61.2	Low	132 Å²	132	97.2 Å²	97.2	62%	0.617	51%	0.507	S	S	*	.	H	α-helix	trans	-62.3	-51.4	174.4	-68.9	162	-168.5	0	0	110.9	D240 A241 L242	E238-D240 VanDerWaalsContact C-N 3.27Å; E238-D240 PolarHBondContact O-N 2.81Å; E238-A241 PolarHBondContact O-N 2.91Å; E238-L242 PolarHBondContact O-N 2.87Å
239	L	57.4	Low	62.5	Low	95 Å²	95	93.1 Å²	93.1	50%	0.497	49%	0.487	S	S	.	.	H	α-helix	trans	-64.7	-29.6	175.5	-67.3	177	0	0	0	113	K219 T236 L242 W247	K219-L239 WeakPolarHBondContact CE-O 3.49Å; K219-L239 PolarHBondContact NZ-O 3.25Å; T236-L239 PolarHBondContact O-N 3.3Å; L239-L242 HydrophobicContact CD2-CD1 3.93Å; L239-W247 HydrophobicContact CD2-CH2 4.14Å; L239-W247 HydrophobicContact CD2-CZ2 4.34Å
240	D	61.4	Low	64	Low	67 Å²	67	91.1 Å²	91.1	36%	0.358	48%	0.48	S	S	.	.	H	α-helix	trans	-74.8	-30.9	176.2	-132.3	16.2	0	0	0	112.4	K219 K223 T236 A237 E238	K219-D240 WeakPolarHBondContact CD-OD1 3.4Å; K219-D240 VanDerWaalsContact CE-OD1 3.25Å; K219-D240 WeakPolarHBondContact CE-OD1 3.18Å; K219-D240 PolarHBondContact NZ-O 3.01Å; K219-D240 VanDerWaalsContact NZ-O 3.13Å; K219-D240 IonicContact NZ-OD1 3.23Å; K223-D240 WeakPolarHBondContact CE-OD2 3.23Å; K223-D240 VanDerWaalsContact NZ-CG 3.29Å; K223-D240 IonicContact NZ-OD1 2.67Å; K223-D240 PolarHBondContact NZ-OD1 3.2Å; K223-D240 VanDerWaalsContact NZ-OD1 3.12Å; K223-D240 IonicContact NZ-OD2 3.85Å; K223-D240 PolarHBondContact NZ-OD2 3.41Å; T236-D240 WeakPolarHBondContact O-CB 3.42Å; T236-D240 PolarHBondContact O-N 3.46Å; A237-D240 PolarHBondContact O-N 2.95Å; E238-D240 VanDerWaalsContact C-N 3.27Å; E238-D240 PolarHBondContact O-N 2.81Å
241	A	61.3	Low	65.5	Low	72 Å²	72	87.9 Å²	87.9	60%	0.595	45%	0.447	S	S	*	.	H	α-helix	trans	-72.2	-27.2	176.4	0	0	0	0	0	114.3	A237 E238 K243	A237-A241 WeakPolarHBondContact O-CB 3.45Å; A237-A241 PolarHBondContact O-N 2.63Å; E238-A241 PolarHBondContact O-N 2.91Å; A241-K243 PolarHBondContact O-N 2.99Å
242	L	65.1	Low	66.7	Low	50 Å²	50	84 Å²	84	26%	0.262	43%	0.429	S	S	.	.			trans	-56.7	119.9	174.2	-67.2	177.5	0	0	0	111.6	K219 E238 L239 D246 W247 L250	K219-L242 PolarHBondContact NZ-O 3.4Å; E238-L242 PolarHBondContact O-N 2.87Å; L239-L242 HydrophobicContact CD2-CD1 3.93Å; L242-D246 HydrophobicContact CB-CB 4.29Å; L242-D246 HydrophobicContact CD2-CB 3.9Å; L242-W247 HydrophobicContact CB-CZ2 4.31Å; L242-W247 VanDerWaalsContact CB-NE1 3.35Å; L242-W247 HydrophobicContact CD1-CH2 4.22Å; L242-W247 HydrophobicContact CD1-CZ2 3.71Å; L242-W247 PolarHBondContact O-NE1 3.03Å; L242-L250 HydrophobicContact CD1-CD1 4.21Å
243	K	74.8	Confident	67.7	Low	152 Å²	152	78.9 Å²	78.9	66%	0.661	41%	0.405	S	S	*	.			trans	-82.7	169.9	179.6	-58.6	174.8	-177.2	172.5	0	110.9	A241 R245 D246 W247	A241-K243 PolarHBondContact O-N 2.99Å; K243-R245 VanDerWaalsContact C-N 3.35Å; K243-R245 PolarHBondContact O-N 3.43Å; K243-D246 WeakPolarHBondContact CB-OD2 3.4Å; K243-D246 PolarHBondContact N-OD2 3.01Å; K243-D246 WeakPolarHBondContact O-CB 3.32Å; K243-D246 PolarHBondContact O-N 2.78Å; K243-W247 VanDerWaalsContact O-CD1 3.27Å; K243-W247 PolarHBondContact O-N 3.03Å
244	H	72.6	Confident	69	Low	119 Å²	119	78.1 Å²	78.1	55%	0.551	40%	0.401	S	S	*	.	H	α-helix	trans	-55.7	-45.9	-179.6	-60.6	107.4	0	0	0	112.3	E37 D246 W247 A248	E37-H244 VanDerWaalsContact OE1-CB 3.25Å; E37-H244 WeakPolarHBondContact OE1-CB 3.42Å; H244-D246 PolarHBondContact O-N 2.66Å; H244-D246 VanDerWaalsContact O-N 3.17Å; H244-W247 PolarHBondContact O-N 2.81Å; H244-A248 PolarHBondContact O-N 2.93Å
245	R	75.9	Confident	70	Confident	122 Å²	122	71.6 Å²	71.6	46%	0.46	37%	0.371	S	S	.	.	H	α-helix	trans	-48.9	-36	169.4	-158.6	169.8	71.7	163.6	3	115.5	E37 K243 R249	E37-R245 HydrophobicContact CB-CB 4.19Å; E37-R245 HydrophobicContact CB-CG 3.93Å; E37-R245 PolarHBondContact OE1-N 2.84Å; E37-R245 WeakPolarHBondContact OE2-CB 3.18Å; K243-R245 VanDerWaalsContact C-N 3.35Å; K243-R245 PolarHBondContact O-N 3.43Å; R245-R249 WeakPolarHBondContact O-CG 3.42Å; R245-R249 PolarHBondContact O-N 3.35Å
246	D	80.6	Confident	71.1	Confident	30 Å²	30	70.1 Å²	70.1	16%	0.16	36%	0.356	C	S	.	.	H	α-helix	trans	-79	-40.3	-176	-48.9	-40.9	0	0	0	110.1	L242 K243 H244 R249 L250	L242-D246 HydrophobicContact CB-CB 4.29Å; L242-D246 HydrophobicContact CD2-CB 3.9Å; K243-D246 WeakPolarHBondContact CB-OD2 3.4Å; K243-D246 PolarHBondContact N-OD2 3.01Å; K243-D246 WeakPolarHBondContact O-CB 3.32Å; K243-D246 PolarHBondContact O-N 2.78Å; H244-D246 PolarHBondContact O-N 2.66Å; H244-D246 VanDerWaalsContact O-N 3.17Å; D246-R249 PolarHBondContact O-N 3.2Å; D246-R249 IonicContact OD1-CZ 3.71Å; D246-R249 IonicContact OD1-NE 3.34Å; D246-R249 IonicContact OD1-NH2 2.63Å; D246-R249 PolarHBondContact OD1-NH2 3.29Å; D246-L250 WeakPolarHBondContact O-CG 3.4Å; D246-L250 PolarHBondContact O-N 2.92Å
247	W	82.4	Confident	72.1	Confident	40 Å²	40	71.2 Å²	71.2	15%	0.152	36%	0.356	C	S	.	.	H	α-helix	trans	-64.8	-36.3	170	-70.7	104.1	0	0	0	113.1	F211 L212 I215 L239 L242 K243 H244 L250 W251	F211-W247 HydrophobicContact CE1-CE3 4.05Å; F211-W247 AromaticContact CZ-CE3 3.96Å; F211-W247 HydrophobicContact CZ-CE3 3.96Å; F211-W247 HydrophobicContact CZ-CZ3 4.29Å; L212-W247 HydrophobicContact CD2-CB 3.59Å; L212-W247 HydrophobicContact CD2-CG 4.45Å; I215-W247 HydrophobicContact CD1-CB 4.48Å; I215-W247 HydrophobicContact CD1-CD2 3.65Å; I215-W247 HydrophobicContact CD1-CE3 3.44Å; I215-W247 VanDerWaalsContact CD1-CE3 3.44Å; I215-W247 HydrophobicContact CD1-CG 4.11Å; I215-W247 HydrophobicContact CD1-CZ3 3.91Å; I215-W247 HydrophobicContact CG2-CD2 4.47Å; I215-W247 HydrophobicContact CG2-CZ2 4.38Å; L239-W247 HydrophobicContact CD2-CH2 4.14Å; L239-W247 HydrophobicContact CD2-CZ2 4.34Å; L242-W247 HydrophobicContact CB-CZ2 4.31Å; L242-W247 VanDerWaalsContact CB-NE1 3.35Å; L242-W247 HydrophobicContact CD1-CH2 4.22Å; L242-W247 HydrophobicContact CD1-CZ2 3.71Å; L242-W247 PolarHBondContact O-NE1 3.03Å; K243-W247 VanDerWaalsContact O-CD1 3.27Å; K243-W247 PolarHBondContact O-N 3.03Å; H244-W247 PolarHBondContact O-N 2.81Å; W247-L250 HydrophobicContact CE3-CD1 4.39Å; W247-W251 VanDerWaalsContact O-CB 3.29Å; W247-W251 WeakPolarHBondContact O-CB 3.41Å; W247-W251 PolarHBondContact O-N 3.26Å
248	A	78.1	Confident	72.9	Confident	0 Å²	0	72.6 Å²	72.6	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-64.9	-42.6	173.3	0	0	0	0	0	112	L208 H244 W251 V252	L208-A248 HydrophobicContact CD1-CB 4.45Å; L208-A248 HydrophobicContact CD2-CB 4.3Å; H244-A248 PolarHBondContact O-N 2.93Å; A248-W251 PolarHBondContact O-N 2.96Å; A248-V252 WeakPolarHBondContact O-CG2 3.31Å; A248-V252 PolarHBondContact O-N 3.46Å
249	R	80.3	Confident	73.4	Confident	88 Å²	88	69 Å²	69	33%	0.332	34%	0.335	S	S	.	.	H	α-helix	trans	-62.2	-48.5	174.4	-77.2	-174.3	-76.5	-177.2	5.8	112.4	R245 D246 W251 V252 Q253	R245-R249 WeakPolarHBondContact O-CG 3.42Å; R245-R249 PolarHBondContact O-N 3.35Å; D246-R249 PolarHBondContact O-N 3.2Å; D246-R249 IonicContact OD1-CZ 3.71Å; D246-R249 IonicContact OD1-NE 3.34Å; D246-R249 IonicContact OD1-NH2 2.63Å; D246-R249 PolarHBondContact OD1-NH2 3.29Å; R249-W251 VanDerWaalsContact C-N 3.28Å; R249-W251 PolarHBondContact O-N 3.03Å; R249-V252 PolarHBondContact O-N 3.07Å; R249-Q253 PolarHBondContact O-N 2.89Å
250	L	80.2	Confident	74	Confident	94 Å²	94	69.8 Å²	69.8	49%	0.492	34%	0.337	S	S	.	.	H	α-helix	trans	-60.3	-37	175.8	-70.7	171.6	0	0	0	112.3	L242 D246 W247 L254	L242-L250 HydrophobicContact CD1-CD1 4.21Å; D246-L250 WeakPolarHBondContact O-CG 3.4Å; D246-L250 PolarHBondContact O-N 2.92Å; W247-L250 HydrophobicContact CE3-CD1 4.39Å; L250-L254 WeakPolarHBondContact O-CB 3.45Å; L250-L254 PolarHBondContact O-N 2.79Å
251	W	81	Confident	74.1	Confident	28 Å²	28	68.4 Å²	68.4	11%	0.106	34%	0.339	C	S	.	.	H	α-helix	trans	-65	-47	174.6	179.5	-95.8	0	0	0	112.3	E207 L208 F211 W247 A248 R249 Q253 L254 M255	E207-W251 HydrophobicContact CB-CH2 4.11Å; E207-W251 HydrophobicContact CB-CZ2 3.54Å; L208-W251 HydrophobicContact CB-CG 4.44Å; L208-W251 HydrophobicContact CD1-CB 3.86Å; L208-W251 HydrophobicContact CD1-CD2 4.41Å; L208-W251 HydrophobicContact CD1-CG 3.75Å; F211-W251 HydrophobicContact CB-CE3 3.98Å; F211-W251 HydrophobicContact CB-CZ3 3.91Å; F211-W251 HydrophobicContact CD1-CB 4.36Å; F211-W251 HydrophobicContact CD1-CD2 4.12Å; F211-W251 AromaticContact CD1-CE3 3.51Å; F211-W251 HydrophobicContact CD1-CE3 3.51Å; F211-W251 HydrophobicContact CD1-CG 4.48Å; F211-W251 HydrophobicContact CD1-CZ3 4.21Å; F211-W251 AromaticContact CD2-CE3 3.88Å; F211-W251 HydrophobicContact CD2-CE3 3.88Å; F211-W251 AromaticContact CD2-CZ3 3.81Å; F211-W251 HydrophobicContact CD2-CZ3 3.81Å; F211-W251 HydrophobicContact CE1-CB 4.19Å; F211-W251 HydrophobicContact CE1-CD2 4.5Å; F211-W251 AromaticContact CE1-CE3 3.79Å; F211-W251 HydrophobicContact CE1-CE3 3.79Å; F211-W251 HydrophobicContact CE2-CE3 4.14Å; F211-W251 HydrophobicContact CE2-CZ3 4.3Å; F211-W251 HydrophobicContact CG-CD2 4.41Å; F211-W251 AromaticContact CG-CE3 3.54Å; F211-W251 HydrophobicContact CG-CE3 3.54Å; F211-W251 AromaticContact CG-CZ3 3.74Å; F211-W251 HydrophobicContact CG-CZ3 3.74Å; F211-W251 HydrophobicContact CZ-CE3 4.09Å; W247-W251 VanDerWaalsContact O-CB 3.29Å; W247-W251 WeakPolarHBondContact O-CB 3.41Å; W247-W251 PolarHBondContact O-N 3.26Å; A248-W251 PolarHBondContact O-N 2.96Å; R249-W251 VanDerWaalsContact C-N 3.28Å; R249-W251 PolarHBondContact O-N 3.03Å; W251-Q253 PolarHBondContact O-N 2.87Å; W251-L254 PolarHBondContact O-N 2.77Å; W251-M255 HydrophobicContact CD2-CE 4.12Å; W251-M255 HydrophobicContact CD2-CG 4.36Å; W251-M255 HydrophobicContact CE3-CE 4.11Å; W251-M255 HydrophobicContact CH2-CE 3.59Å; W251-M255 HydrophobicContact CH2-SD 4.22Å; W251-M255 HydrophobicContact CZ2-CE 3.59Å; W251-M255 HydrophobicContact CZ2-CG 4.08Å; W251-M255 HydrophobicContact CZ2-SD 3.68Å; W251-M255 HydrophobicContact CZ3-CE 3.87Å; W251-M255 WeakPolarHBondContact O-CG 3.35Å; W251-M255 PolarHBondContact O-N 2.99Å
252	V	76.2	Confident	73.9	Confident	61 Å²	61	71.1 Å²	71.1	37%	0.37	35%	0.348	S	S	.	.	H	α-helix	trans	-58.4	-46.8	176.7	169	0	0	0	0	111.2	Y36 A248 R249 L254 M255 K256	Y36-V252 HydrophobicContact CD1-CG2 3.78Å; Y36-V252 HydrophobicContact CE1-CG2 3.63Å; A248-V252 WeakPolarHBondContact O-CG2 3.31Å; A248-V252 PolarHBondContact O-N 3.46Å; R249-V252 PolarHBondContact O-N 3.07Å; V252-L254 PolarHBondContact O-N 2.95Å; V252-M255 PolarHBondContact O-N 3.05Å; V252-K256 WeakPolarHBondContact O-CB 3.2Å; V252-K256 PolarHBondContact O-N 2.84Å
253	Q	77.4	Confident	73.5	Confident	62 Å²	62	75.5 Å²	75.5	29%	0.29	36%	0.364	S	S	.	.	H	α-helix	trans	-61.5	-44	177.5	177.7	60.8	18.7	0	0	111.9	R249 W251 K256 E257	R249-Q253 PolarHBondContact O-N 2.89Å; W251-Q253 PolarHBondContact O-N 2.87Å; Q253-K256 WeakPolarHBondContact O-CB 3.43Å; Q253-K256 PolarHBondContact O-N 3.16Å; Q253-E257 PolarHBondContact NE2-OE1 3.03Å; Q253-E257 PolarHBondContact O-N 3.32Å
254	L	78.4	Confident	72.1	Confident	79 Å²	79	76 Å²	76	41%	0.414	37%	0.373	S	S	.	.	H	α-helix	trans	-62.8	-43.8	176.5	-179.5	64.1	0	0	0	112.2	L250 W251 V252 K256 E257 L258	L250-L254 WeakPolarHBondContact O-CB 3.45Å; L250-L254 PolarHBondContact O-N 2.79Å; W251-L254 PolarHBondContact O-N 2.77Å; V252-L254 PolarHBondContact O-N 2.95Å; L254-K256 PolarHBondContact O-N 2.62Å; L254-E257 PolarHBondContact O-N 3.08Å; L254-L258 HydrophobicContact CD1-CD1 4.38Å; L254-L258 HydrophobicContact CG-CD1 4.13Å; L254-L258 VanDerWaalsContact O-CG 3.28Å; L254-L258 WeakPolarHBondContact O-CG 3.48Å; L254-L258 PolarHBondContact O-N 3.42Å
255	M	73.5	Confident	71	Confident	12 Å²	12	78.7 Å²	78.7	6%	0.059	38%	0.383	C	S	.	.	H	α-helix	trans	-63.5	-41.6	177.8	-70	-51.5	105.8	0	0	111.5	W251 V252 L258 R259 P283	W251-M255 HydrophobicContact CD2-CE 4.12Å; W251-M255 HydrophobicContact CD2-CG 4.36Å; W251-M255 HydrophobicContact CE3-CE 4.11Å; W251-M255 HydrophobicContact CH2-CE 3.59Å; W251-M255 HydrophobicContact CH2-SD 4.22Å; W251-M255 HydrophobicContact CZ2-CE 3.59Å; W251-M255 HydrophobicContact CZ2-CG 4.08Å; W251-M255 HydrophobicContact CZ2-SD 3.68Å; W251-M255 HydrophobicContact CZ3-CE 3.87Å; W251-M255 WeakPolarHBondContact O-CG 3.35Å; W251-M255 PolarHBondContact O-N 2.99Å; V252-M255 PolarHBondContact O-N 3.05Å; M255-L258 HydrophobicContact CE-CD1 3.77Å; M255-L258 PolarHBondContact O-N 3.22Å; M255-L258 HydrophobicContact SD-CD1 4.38Å; M255-R259 WeakPolarHBondContact O-CG 3.5Å; M255-R259 PolarHBondContact O-N 2.9Å; M255-P283 HydrophobicContact CB-CG 4.12Å; M255-P283 HydrophobicContact CG-CG 4.49Å; M255-P283 HydrophobicContact SD-CB 4.32Å; M255-P283 HydrophobicContact SD-CG 3.87Å
256	K	73.1	Confident	69.6	Low	32 Å²	32	83.4 Å²	83.4	14%	0.139	41%	0.407	C	S	.	.	H	α-helix	trans	-58.7	-50	173.6	176.4	-157.1	170.8	-165.4	0	111.8	V252 Q253 L254 L258 R259 Q260 E418	V252-K256 WeakPolarHBondContact O-CB 3.2Å; V252-K256 PolarHBondContact O-N 2.84Å; Q253-K256 WeakPolarHBondContact O-CB 3.43Å; Q253-K256 PolarHBondContact O-N 3.16Å; L254-K256 PolarHBondContact O-N 2.62Å; K256-L258 VanDerWaalsContact C-N 3.25Å; K256-L258 PolarHBondContact O-N 3.16Å; K256-R259 PolarHBondContact O-N 2.83Å; K256-R259 VanDerWaalsContact O-N 3.14Å; K256-Q260 VanDerWaalsContact CE-NE2 3.32Å; K256-Q260 WeakPolarHBondContact O-CG 3.32Å; K256-Q260 PolarHBondContact O-N 3.09Å; K256-E418 HydrophobicContact CD-CG 4.4Å; K256-E418 WeakPolarHBondContact CE-OE1 3.28Å; K256-E418 WeakPolarHBondContact CE-OE2 3.42Å; K256-E418 IonicContact NZ-OE1 3.93Å; K256-E418 PolarHBondContact NZ-OE1 3.24Å; K256-E418 VanDerWaalsContact NZ-OE1 3.16Å; K256-E418 IonicContact NZ-OE2 3.06Å; K256-E418 PolarHBondContact NZ-OE2 3.43Å
257	E	73.1	Confident	67.8	Low	105 Å²	105	87.5 Å²	87.5	49%	0.491	43%	0.433	S	S	.	.	H	α-helix	trans	-60.1	-36	177.7	-76.3	-179.2	-154	0	0	112.3	Q253 L254 G261	Q253-E257 PolarHBondContact NE2-OE1 3.03Å; Q253-E257 PolarHBondContact O-N 3.32Å; L254-E257 PolarHBondContact O-N 3.08Å; E257-G261 PolarHBondContact O-N 3.37Å
258	L	69.9	Low	66	Low	85 Å²	85	94.6 Å²	94.6	45%	0.445	47%	0.468	S	S	.	.	H	α-helix	trans	-69.6	-36.1	174.8	-69.7	168.2	0	0	0	113	L254 M255 K256 P283	L254-L258 HydrophobicContact CD1-CD1 4.38Å; L254-L258 HydrophobicContact CG-CD1 4.13Å; L254-L258 VanDerWaalsContact O-CG 3.28Å; L254-L258 WeakPolarHBondContact O-CG 3.48Å; L254-L258 PolarHBondContact O-N 3.42Å; M255-L258 HydrophobicContact CE-CD1 3.77Å; M255-L258 PolarHBondContact O-N 3.22Å; M255-L258 HydrophobicContact SD-CD1 4.38Å; K256-L258 VanDerWaalsContact C-N 3.25Å; K256-L258 PolarHBondContact O-N 3.16Å; L258-P283 HydrophobicContact CB-CB 3.56Å; L258-P283 HydrophobicContact CB-CG 4.47Å; L258-P283 HydrophobicContact CD1-CB 4.37Å
259	R	69.6	Low	64.7	Low	55 Å²	55	101.5 Å²	101.5	21%	0.208	50%	0.5	C	S	.	.	H	α-helix	trans	-66.8	-42.2	171.8	-64.4	-164.3	-157.6	114.4	12	112.2	E204 M255 K256 E278 P283 M286	E204-R259 IonicContact OE1-CZ 2.7Å; E204-R259 IonicContact OE1-NE 2.71Å; E204-R259 IonicContact OE1-NH2 2.69Å; E204-R259 PolarHBondContact OE1-NH2 2.68Å; E204-R259 IonicContact OE2-NH2 2.83Å; E204-R259 PolarHBondContact OE2-NH2 2.85Å; M255-R259 WeakPolarHBondContact O-CG 3.5Å; M255-R259 PolarHBondContact O-N 2.9Å; K256-R259 PolarHBondContact O-N 2.83Å; K256-R259 VanDerWaalsContact O-N 3.14Å; R259-E278 IonicContact CZ-OE1 2.72Å; R259-E278 IonicContact NH1-OE1 3.06Å; R259-E278 PolarHBondContact NH1-OE1 3.2Å; R259-P283 HydrophobicContact CG-CB 4.41Å; R259-P283 HydrophobicContact CG-CG 3.78Å; R259-M286 HydrophobicContact CG-SD 4.4Å
260	Q	69.1	Low	62.8	Low	112 Å²	112	104.9 Å²	104.9	52%	0.523	52%	0.52	S	S	.	.	H	α-helix	trans	-74.9	-30.8	-178.2	-66.7	-173.3	3	0	0	112.8	K256	K256-Q260 VanDerWaalsContact CE-NE2 3.32Å; K256-Q260 WeakPolarHBondContact O-CG 3.32Å; K256-Q260 PolarHBondContact O-N 3.09Å
261	G	64.1	Low	60.9	Low	39 Å²	39	106.5 Å²	106.5	40%	0.402	54%	0.536	S	S	.	.			trans	74.1	156.2	176.3	0	0	0	0	0	114.6	E257 K263	E257-G261 PolarHBondContact O-N 3.37Å; G261-K263 PolarHBondContact O-N 2.98Å; G261-K263 VanDerWaalsContact O-N 3.08Å
262	V	56.4	Low	58.9	Low	129 Å²	129	113.4 Å²	113.4	78%	0.782	57%	0.567	S	S	*	*			trans	-75.9	101.4	178.9	-176.7	0	0	0	0	110	L264	V262-L264 VanDerWaalsContact C-N 3.33Å; V262-L264 HydrophobicContact CG1-CD2 3.97Å; V262-L264 HydrophobicContact CG1-CG 4.3Å; V262-L264 PolarHBondContact O-N 3.24Å
263	K	57	Low	57	Low	142 Å²	142	116.1 Å²	116.1	62%	0.617	58%	0.58	S	S	*	*			trans	-67.1	80.9	178.2	-65.6	179.9	-178.3	175.7	0	111.9	G261 K265 E269	G261-K263 PolarHBondContact O-N 2.98Å; G261-K263 VanDerWaalsContact O-N 3.08Å; K263-K265 PolarHBondContact O-N 2.96Å; K263-E269 IonicContact NZ-OE1 3.94Å; K263-E269 PolarHBondContact NZ-OE1 2.73Å
264	L	44.9	Very low	55.4	Low	162 Å²	162	116.9 Å²	116.9	85%	0.848	59%	0.59	S	S	*	*			trans	-64.5	3.8	-175.6	-71.8	175.8	0	0	0	116.2	V262	V262-L264 VanDerWaalsContact C-N 3.33Å; V262-L264 HydrophobicContact CG1-CD2 3.97Å; V262-L264 HydrophobicContact CG1-CG 4.3Å; V262-L264 PolarHBondContact O-N 3.24Å
265	K	49.8	Very low	53.7	Low	175 Å²	175	117.7 Å²	117.7	76%	0.761	59%	0.594	S	S	*	*	S	Bend	trans	-161.2	145.4	167.6	-129.9	176.8	-178.3	-177.3	0	110.2	K263 V267	K263-K265 PolarHBondContact O-N 2.96Å; K265-V267 VanDerWaalsContact C-N 3.35Å; K265-V267 HydrophobicContact CB-CG2 4.41Å; K265-V267 PolarHBondContact O-N 3.46Å
266	K	46.3	Very low	52.3	Low	221 Å²	221	121 Å²	121	96%	0.961	62%	0.616	S	S	*	*			trans	-68.7	93.8	161.6	-86.5	-168.9	172.5	-175	0	109.2
267	V	43.9	Very low	51.1	Low	116 Å²	116	123.5 Å²	123.5	70%	0.703	63%	0.634	S	S	*	*			trans	-98.5	142.8	158	-176.8	0	0	0	0	106.3	K265 E269	K265-V267 VanDerWaalsContact C-N 3.35Å; K265-V267 HydrophobicContact CB-CG2 4.41Å; K265-V267 PolarHBondContact O-N 3.46Å; V267-E269 PolarHBondContact O-N 2.63Å
268	Q	44.3	Very low	50.3	Low	190 Å²	190	121.4 Å²	121.4	89%	0.888	63%	0.625	S	S	*	*			trans	-63.2	137.2	175.5	-76.1	178.8	-19.3	0	0	110	Q270	Q268-Q270 PolarHBondContact O-N 3.18Å
269	E	49.6	Very low	49.8	Very low	145 Å²	145	118.8 Å²	118.8	68%	0.678	61%	0.61	S	S	*	*			trans	-78.1	115.7	-170.4	-59.3	-175.8	140.3	0	0	109.9	K263 V267	K263-E269 IonicContact NZ-OE1 3.94Å; K263-E269 PolarHBondContact NZ-OE1 2.73Å; V267-E269 PolarHBondContact O-N 2.63Å
270	Q	40.3	Very low	49.3	Very low	158 Å²	158	118 Å²	118	74%	0.738	61%	0.613	S	S	*	*			trans	-69.4	127.2	153.2	-81.8	-171	-27.3	0	0	107.1	Q268 F272	Q268-Q270 PolarHBondContact O-N 3.18Å; Q270-F272 PolarHBondContact O-N 3.12Å
271	P	41.9	Very low	49	Very low	128 Å²	128	114.9 Å²	114.9	83%	0.831	60%	0.599	S	S	*	*			trans	-70.1	95.8	178.5	28	-33.6	0	0	0	109.7	N273	P271-N273 PolarHBondContact O-N 2.86Å
272	F	37.2	Very low	49.2	Very low	173 Å²	173	113.1 Å²	113.1	76%	0.759	58%	0.581	S	S	*	*			trans	-66.4	128.7	164.9	-93.5	-98.5	0	0	0	108.8	Q270 P274	Q270-F272 PolarHBondContact O-N 3.12Å; F272-P274 WeakPolarHBondContact O-CD 3.46Å
273	N	36.1	Very low	49.7	Very low	119 Å²	119	107.2 Å²	107.2	64%	0.636	55%	0.545	S	S	*	.			trans	-75.5	110.7	-178.2	-162.6	-4.6	0	0	0	108.8	P271 L275	P271-N273 PolarHBondContact O-N 2.86Å; N273-L275 PolarHBondContact O-N 3.48Å
274	P	44.1	Very low	50.1	Low	78 Å²	78	106 Å²	106	51%	0.506	54%	0.54	S	S	.	.			trans	-73.1	-33.2	-159.2	26.5	-34.7	0	0	0	113.8	F272 P276 T277 E278	F272-P274 WeakPolarHBondContact O-CD 3.46Å; P274-P276 VanDerWaalsContact O-N 3.16Å; P274-T277 PolarHBondContact O-N 3.46Å; P274-E278 PolarHBondContact O-N 3.09Å
275	L	42.5	Very low	51.5	Low	95 Å²	95	101.8 Å²	101.8	50%	0.497	52%	0.516	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.4	-44.2	-161.5	-62.7	167.5	0	0	0	115.7	N273	N273-L275 PolarHBondContact O-N 3.48Å
276	P	44.3	Very low	52.5	Low	82 Å²	82	96 Å²	96	53%	0.532	49%	0.492	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-17.4	-177.1	-10.4	29.1	0	0	0	114.1	P274	P274-P276 VanDerWaalsContact O-N 3.16Å
277	T	48.7	Very low	53.6	Low	84 Å²	84	89.8 Å²	89.8	52%	0.515	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-38.7	-166.4	-45.8	0	0	0	0	112	P274 F279 S280	P274-T277 PolarHBondContact O-N 3.46Å; T277-F279 VanDerWaalsContact C-N 3.3Å; T277-F279 PolarHBondContact O-N 2.92Å; T277-S280 WeakPolarHBondContact O-CB 3.37Å; T277-S280 PolarHBondContact O-N 2.72Å; T277-S280 VanDerWaalsContact O-N 3.11Å; T277-S280 PolarHBondContact O-OG 3.43Å
278	E	56.4	Low	54.9	Low	61 Å²	61	87 Å²	87	29%	0.285	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-37.8	-171.1	-173.8	170.7	-175	0	0	113.6	R259 P274	R259-E278 IonicContact CZ-OE1 2.72Å; R259-E278 IonicContact NH1-OE1 3.06Å; R259-E278 PolarHBondContact NH1-OE1 3.2Å; P274-E278 PolarHBondContact O-N 3.09Å
279	F	58.7	Low	56.1	Low	30 Å²	30	82.3 Å²	82.3	13%	0.132	43%	0.427	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	3.2	-178.1	-50.2	-72.2	0	0	0	113.4	E43 A196 V197 A200 T277	E43-F279 HydrophobicContact CG-CE2 4.14Å; E43-F279 HydrophobicContact CG-CZ 4.31Å; A196-F279 HydrophobicContact CB-CB 4.16Å; A196-F279 WeakPolarHBondContact CB-O 3.44Å; V197-F279 HydrophobicContact CB-CG 4.44Å; V197-F279 HydrophobicContact CG2-CB 4.1Å; V197-F279 HydrophobicContact CG2-CD1 4.29Å; V197-F279 HydrophobicContact CG2-CD2 3.66Å; V197-F279 HydrophobicContact CG2-CE2 4.18Å; V197-F279 HydrophobicContact CG2-CG 3.73Å; A200-F279 HydrophobicContact CB-CB 4.25Å; A200-F279 HydrophobicContact CB-CD1 4.26Å; T277-F279 VanDerWaalsContact C-N 3.3Å; T277-F279 PolarHBondContact O-N 2.92Å
280	S	60.3	Low	57.1	Low	39 Å²	39	76.8 Å²	76.8	27%	0.273	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-35.4	-174.2	66.9	0	0	0	0	112.9	R199 T277	R199-S280 PolarHBondContact NH2-O 3.1Å; T277-S280 WeakPolarHBondContact O-CB 3.37Å; T277-S280 PolarHBondContact O-N 2.72Å; T277-S280 VanDerWaalsContact O-N 3.11Å; T277-S280 PolarHBondContact O-OG 3.43Å
281	L	63	Low	58.4	Low	46 Å²	46	73.8 Å²	73.8	24%	0.241	39%	0.39	C	S	.	.	S	Bend	trans	-146.5	145.9	-175	-65.2	175.3	0	0	0	108.7	E285 M286	L281-E285 WeakPolarHBondContact CA-OE2 3.28Å; L281-E285 HydrophobicContact CB-CB 3.94Å; L281-E285 HydrophobicContact CD2-CB 4.16Å; L281-M286 HydrophobicContact CB-CG 3.76Å; L281-M286 HydrophobicContact CD1-CG 4.33Å
282	T	67.1	Low	60	Low	3 Å²	3	76 Å²	76	2%	0.018	38%	0.382	C	S	.	.			trans	-67.5	162.2	169.4	82.1	0	0	0	0	111	V203 F284 E285 M286	V203-T282 HydrophobicContact CB-CG2 3.87Å; V203-T282 HydrophobicContact CG1-CG2 3.64Å; T282-F284 PolarHBondContact O-N 2.9Å; T282-F284 PolarHBondContact OG1-N 3.49Å; T282-E285 PolarHBondContact N-OE2 3.32Å; T282-E285 WeakPolarHBondContact O-CA 3.49Å; T282-E285 PolarHBondContact O-N 3.28Å; T282-E285 PolarHBondContact OG1-N 2.92Å; T282-M286 WeakPolarHBondContact O-CG 3.47Å; T282-M286 PolarHBondContact O-N 2.95Å
283	P	66.3	Low	61.7	Low	4 Å²	4	70.7 Å²	70.7	3%	0.026	37%	0.371	C	S	.	.	H	α-helix	trans	-60.5	-30.5	178.9	-19.1	30.9	0	0	0	112.7	M255 L258 R259 L287	M255-P283 HydrophobicContact CB-CG 4.12Å; M255-P283 HydrophobicContact CG-CG 4.49Å; M255-P283 HydrophobicContact SD-CB 4.32Å; M255-P283 HydrophobicContact SD-CG 3.87Å; L258-P283 HydrophobicContact CB-CB 3.56Å; L258-P283 HydrophobicContact CB-CG 4.47Å; L258-P283 HydrophobicContact CD1-CB 4.37Å; R259-P283 HydrophobicContact CG-CB 4.41Å; R259-P283 HydrophobicContact CG-CG 3.78Å; P283-L287 WeakPolarHBondContact O-CB 3.38Å; P283-L287 PolarHBondContact O-N 2.83Å; P283-L287 VanDerWaalsContact O-N 3.09Å
284	F	67.2	Low	63.3	Low	117 Å²	117	75.1 Å²	75.1	51%	0.513	38%	0.379	S	S	.	.	H	α-helix	trans	-68.4	-43.8	170.7	174.4	-105.1	0	0	0	112.2	T282 L287 M288	T282-F284 PolarHBondContact O-N 2.9Å; T282-F284 PolarHBondContact OG1-N 3.49Å; F284-L287 PolarHBondContact O-N 3.22Å; F284-M288 HydrophobicContact CD1-CG 4.31Å; F284-M288 HydrophobicContact CD2-CG 4.07Å; F284-M288 HydrophobicContact CE1-CG 3.89Å; F284-M288 HydrophobicContact CE2-CG 3.62Å; F284-M288 HydrophobicContact CE2-SD 4.04Å; F284-M288 HydrophobicContact CG-CG 4.4Å; F284-M288 HydrophobicContact CZ-CG 3.52Å; F284-M288 HydrophobicContact CZ-SD 4.08Å; F284-M288 WeakPolarHBondContact O-CB 3.39Å; F284-M288 VanDerWaalsContact O-CG 3.27Å; F284-M288 WeakPolarHBondContact O-CG 3.23Å; F284-M288 PolarHBondContact O-N 3.4Å
285	E	73.3	Confident	64.2	Low	73 Å²	73	77.4 Å²	77.4	34%	0.341	38%	0.38	S	S	.	.	H	α-helix	trans	-64.5	-40	176.4	-69.3	-177.7	136.2	0	0	112.5	L281 T282 M288 Q289	L281-E285 WeakPolarHBondContact CA-OE2 3.28Å; L281-E285 HydrophobicContact CB-CB 3.94Å; L281-E285 HydrophobicContact CD2-CB 4.16Å; T282-E285 PolarHBondContact N-OE2 3.32Å; T282-E285 WeakPolarHBondContact O-CA 3.49Å; T282-E285 PolarHBondContact O-N 3.28Å; T282-E285 PolarHBondContact OG1-N 2.92Å; E285-M288 PolarHBondContact O-N 3.37Å; E285-Q289 WeakPolarHBondContact O-CB 3.44Å; E285-Q289 PolarHBondContact O-N 3.39Å
286	M	70.5	Confident	65.1	Low	53 Å²	53	79.2 Å²	79.2	26%	0.261	39%	0.385	S	S	.	.	H	α-helix	trans	-56.9	-53.8	171.6	-68	171.3	63.4	0	0	110.8	R259 L281 T282 M288 Q289 D290	R259-M286 HydrophobicContact CG-SD 4.4Å; L281-M286 HydrophobicContact CB-CG 3.76Å; L281-M286 HydrophobicContact CD1-CG 4.33Å; T282-M286 WeakPolarHBondContact O-CG 3.47Å; T282-M286 PolarHBondContact O-N 2.95Å; M286-M288 VanDerWaalsContact C-N 3.34Å; M286-M288 PolarHBondContact O-N 3.17Å; M286-Q289 PolarHBondContact O-N 3.43Å; M286-D290 WeakPolarHBondContact O-CB 3.27Å; M286-D290 PolarHBondContact O-N 2.95Å
287	L	70.1	Confident	65.6	Low	92 Å²	92	84.7 Å²	84.7	48%	0.482	40%	0.403	S	S	.	.	H	α-helix	trans	-59.1	-44.3	178.4	177.3	60.4	0	0	0	111.9	P283 F284 D290 I291	P283-L287 WeakPolarHBondContact O-CB 3.38Å; P283-L287 PolarHBondContact O-N 2.83Å; P283-L287 VanDerWaalsContact O-N 3.09Å; F284-L287 PolarHBondContact O-N 3.22Å; L287-D290 PolarHBondContact O-N 2.96Å; L287-I291 HydrophobicContact CD1-CD1 4.03Å; L287-I291 HydrophobicContact CD1-CG1 4.38Å; L287-I291 HydrophobicContact CG-CD1 3.96Å; L287-I291 WeakPolarHBondContact O-CB 3.3Å; L287-I291 WeakPolarHBondContact O-CD1 3.48Å; L287-I291 VanDerWaalsContact O-CG1 3.25Å; L287-I291 WeakPolarHBondContact O-CG1 3.34Å; L287-I291 PolarHBondContact O-N 2.63Å
288	M	70.3	Confident	65.8	Low	56 Å²	56	87.6 Å²	87.6	28%	0.276	42%	0.415	S	S	.	.	H	α-helix	trans	-67.9	-34.1	178.1	-72.7	-61.8	-65.9	0	0	112.6	F284 E285 M286 I291 R292	F284-M288 HydrophobicContact CD1-CG 4.31Å; F284-M288 HydrophobicContact CD2-CG 4.07Å; F284-M288 HydrophobicContact CE1-CG 3.89Å; F284-M288 HydrophobicContact CE2-CG 3.62Å; F284-M288 HydrophobicContact CE2-SD 4.04Å; F284-M288 HydrophobicContact CG-CG 4.4Å; F284-M288 HydrophobicContact CZ-CG 3.52Å; F284-M288 HydrophobicContact CZ-SD 4.08Å; F284-M288 WeakPolarHBondContact O-CB 3.39Å; F284-M288 VanDerWaalsContact O-CG 3.27Å; F284-M288 WeakPolarHBondContact O-CG 3.23Å; F284-M288 PolarHBondContact O-N 3.4Å; E285-M288 PolarHBondContact O-N 3.37Å; M286-M288 VanDerWaalsContact C-N 3.34Å; M286-M288 PolarHBondContact O-N 3.17Å; M288-I291 HydrophobicContact SD-CD1 4.32Å; M288-R292 WeakPolarHBondContact O-CB 3.34Å; M288-R292 VanDerWaalsContact O-CD 3.3Å; M288-R292 WeakPolarHBondContact O-CD 3.4Å; M288-R292 WeakPolarHBondContact O-CG 3.46Å; M288-R292 PolarHBondContact O-N 2.86Å
289	Q	71.3	Confident	65.6	Low	92 Å²	92	96.1 Å²	96.1	43%	0.43	44%	0.444	S	S	.	.	H	α-helix	trans	-66.2	-43.4	171.9	-167.2	-172.5	52.5	0	0	110.8	E285 M286 I291 R292 A293	E285-Q289 WeakPolarHBondContact O-CB 3.44Å; E285-Q289 PolarHBondContact O-N 3.39Å; M286-Q289 PolarHBondContact O-N 3.43Å; Q289-I291 PolarHBondContact O-N 2.85Å; Q289-R292 PolarHBondContact O-N 3.32Å; Q289-A293 WeakPolarHBondContact O-CB 3.38Å; Q289-A293 PolarHBondContact O-N 3.24Å
290	D	70.6	Confident	65.3	Low	29 Å²	29	104 Å²	104	16%	0.155	48%	0.479	C	S	.	.	H	α-helix	trans	-67.2	-34.9	-179.5	-77.6	13.3	0	0	0	112.8	M286 L287 R294 K295 F296	M286-D290 WeakPolarHBondContact O-CB 3.27Å; M286-D290 PolarHBondContact O-N 2.95Å; L287-D290 PolarHBondContact O-N 2.96Å; D290-R294 WeakPolarHBondContact O-CA 3.33Å; D290-R294 PolarHBondContact O-N 2.97Å; D290-K295 HydrophobicContact CB-CB 4.45Å; D290-K295 HydrophobicContact CB-CD 4.4Å; D290-K295 PolarHBondContact O-N 2.86Å; D290-K295 VanDerWaalsContact OD1-CD 3.31Å; D290-K295 WeakPolarHBondContact OD1-CD 3.43Å; D290-K295 WeakPolarHBondContact OD1-CE 3.36Å; D290-K295 IonicContact OD1-NZ 3.75Å; D290-K295 PolarHBondContact OD1-NZ 2.9Å; D290-K295 IonicContact OD2-NZ 2.75Å; D290-F296 HydrophobicContact CB-CD2 4.24Å; D290-F296 HydrophobicContact CB-CE2 3.98Å; D290-F296 VanDerWaalsContact OD2-CE2 3.3Å; D290-F296 WeakPolarHBondContact OD2-CE2 3.36Å
291	I	67.5	Low	64.8	Low	95 Å²	95	108.5 Å²	108.5	49%	0.487	50%	0.504	S	S	.	.	H	α-helix	trans	-64.9	-51.2	169.8	-70.2	165.1	0	0	0	110.6	L287 M288 Q289 A293 R294	L287-I291 HydrophobicContact CD1-CD1 4.03Å; L287-I291 HydrophobicContact CD1-CG1 4.38Å; L287-I291 HydrophobicContact CG-CD1 3.96Å; L287-I291 WeakPolarHBondContact O-CB 3.3Å; L287-I291 WeakPolarHBondContact O-CD1 3.48Å; L287-I291 VanDerWaalsContact O-CG1 3.25Å; L287-I291 WeakPolarHBondContact O-CG1 3.34Å; L287-I291 PolarHBondContact O-N 2.63Å; M288-I291 HydrophobicContact SD-CD1 4.32Å; Q289-I291 PolarHBondContact O-N 2.85Å; I291-A293 PolarHBondContact O-N 2.75Å; I291-R294 PolarHBondContact O-N 3.19Å; I291-R294 VanDerWaalsContact O-N 3.09Å
292	R	75.3	Confident	64.2	Low	174 Å²	174	110.9 Å²	110.9	66%	0.657	52%	0.515	S	S	*	.	H	α-helix	trans	-59.7	-45	179	-71.8	163.2	-171.4	145.8	-1.5	111.9	M288 Q289 R294	M288-R292 WeakPolarHBondContact O-CB 3.34Å; M288-R292 VanDerWaalsContact O-CD 3.3Å; M288-R292 WeakPolarHBondContact O-CD 3.4Å; M288-R292 WeakPolarHBondContact O-CG 3.46Å; M288-R292 PolarHBondContact O-N 2.86Å; Q289-R292 PolarHBondContact O-N 3.32Å; R292-R294 PolarHBondContact O-N 3.08Å
293	A	72.3	Confident	63.7	Low	63 Å²	63	117 Å²	117	52%	0.521	55%	0.552	S	S	.	*	T	Hydrogen-bonded Turn	trans	-75.7	-7.2	178	0	0	0	0	0	113.5	Q289 I291 K295	Q289-A293 WeakPolarHBondContact O-CB 3.38Å; Q289-A293 PolarHBondContact O-N 3.24Å; I291-A293 PolarHBondContact O-N 2.75Å; A293-K295 HydrophobicContact CB-CG 4.15Å; A293-K295 PolarHBondContact O-N 2.69Å
294	R	69.8	Low	62.8	Low	212 Å²	212	124.1 Å²	124.1	80%	0.8	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	54.3	32.5	-178.1	-51.9	179.5	-177.8	-180	0.1	113.3	D290 I291 R292 F296	D290-R294 WeakPolarHBondContact O-CA 3.33Å; D290-R294 PolarHBondContact O-N 2.97Å; I291-R294 PolarHBondContact O-N 3.19Å; I291-R294 VanDerWaalsContact O-N 3.09Å; R292-R294 PolarHBondContact O-N 3.08Å; R294-F296 PolarHBondContact O-N 2.97Å; R294-F296 VanDerWaalsContact O-N 3.13Å
295	K	62.1	Low	62.1	Low	126 Å²	126	121.2 Å²	121.2	55%	0.548	59%	0.593	S	S	.	*			trans	-55.5	-33.4	-178	-72	-167.5	-164.7	156.2	0	112.2	D290 A293	D290-K295 HydrophobicContact CB-CB 4.45Å; D290-K295 HydrophobicContact CB-CD 4.4Å; D290-K295 PolarHBondContact O-N 2.86Å; D290-K295 VanDerWaalsContact OD1-CD 3.31Å; D290-K295 WeakPolarHBondContact OD1-CD 3.43Å; D290-K295 WeakPolarHBondContact OD1-CE 3.36Å; D290-K295 IonicContact OD1-NZ 3.75Å; D290-K295 PolarHBondContact OD1-NZ 2.9Å; D290-K295 IonicContact OD2-NZ 2.75Å; A293-K295 HydrophobicContact CB-CG 4.15Å; A293-K295 PolarHBondContact O-N 2.69Å
296	F	61.3	Low	61.1	Low	133 Å²	133	123.3 Å²	123.3	58%	0.583	61%	0.606	S	S	*	*	S	Bend	trans	-107.2	122.2	177.6	-55.6	-67.9	0	0	0	111.5	D290 R294 L298	D290-F296 HydrophobicContact CB-CD2 4.24Å; D290-F296 HydrophobicContact CB-CE2 3.98Å; D290-F296 VanDerWaalsContact OD2-CE2 3.3Å; D290-F296 WeakPolarHBondContact OD2-CE2 3.36Å; R294-F296 PolarHBondContact O-N 2.97Å; R294-F296 VanDerWaalsContact O-N 3.13Å; F296-L298 VanDerWaalsContact C-N 3.26Å; F296-L298 PolarHBondContact O-N 3.11Å
297	Q	55.8	Low	60	Low	196 Å²	196	125 Å²	125	92%	0.916	62%	0.615	S	S	*	*			trans	-72.4	85.3	162.3	-71	-171.2	0.8	0	0	109.3	R299	Q297-R299 PolarHBondContact O-N 3.14Å
298	L	52.9	Low	59	Low	146 Å²	146	123.7 Å²	123.7	76%	0.764	61%	0.613	S	S	*	*			trans	-54.6	133	167.7	-62.6	178.7	0	0	0	109	F296 K300	F296-L298 VanDerWaalsContact C-N 3.26Å; F296-L298 PolarHBondContact O-N 3.11Å; L298-K300 PolarHBondContact O-N 3.25Å; L298-K300 VanDerWaalsContact O-N 3.11Å
299	R	52.7	Low	58.2	Low	239 Å²	239	126.5 Å²	126.5	90%	0.902	63%	0.633	S	S	*	*			trans	-59.8	118.8	174.3	-75.8	-177.2	-78	-149.6	-4.3	108	Q297 V301	Q297-R299 PolarHBondContact O-N 3.14Å; R299-V301 PolarHBondContact O-N 2.98Å
300	K	50.7	Low	57.2	Low	197 Å²	197	132.7 Å²	132.7	86%	0.857	65%	0.652	S	S	*	*			trans	-53.1	109	178	-74.1	-169	174.7	-169.6	0	109.7	L298 M302	L298-K300 PolarHBondContact O-N 3.25Å; L298-K300 VanDerWaalsContact O-N 3.11Å; K300-M302 PolarHBondContact O-N 3.29Å
301	V	51.2	Low	56.2	Low	132 Å²	132	136.1 Å²	136.1	80%	0.8	67%	0.674	S	S	*	*			trans	-65.1	123.4	160.4	-178.6	0	0	0	0	105.7	R299 V303	R299-V301 PolarHBondContact O-N 2.98Å; V301-V303 PolarHBondContact O-N 3.33Å; V301-V303 VanDerWaalsContact O-N 3.1Å
302	M	51	Low	55.4	Low	96 Å²	96	137.9 Å²	137.9	47%	0.473	68%	0.679	S	S	.	*			trans	-83.4	93.8	-171.3	-67.7	-176.5	63.4	0	0	109.6	K300 D304 G305 D306 P308	K300-M302 PolarHBondContact O-N 3.29Å; M302-D304 PolarHBondContact O-N 3.02Å; M302-G305 PolarHBondContact O-N 2.81Å; M302-G305 VanDerWaalsContact O-N 3.17Å; M302-D306 HydrophobicContact CE-CB 4.38Å; M302-D306 WeakPolarHBondContact CE-O 3.32Å; M302-P308 HydrophobicContact SD-CG 3.58Å; M302-P308 VanDerWaalsContact SD-CG 3.58Å
303	V	54.8	Low	54.5	Low	133 Å²	133	136.2 Å²	136.2	81%	0.806	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.9	-36.4	-176.7	-174.8	0	0	0	0	111.4	V301 G305	V301-V303 PolarHBondContact O-N 3.33Å; V301-V303 VanDerWaalsContact O-N 3.1Å; V303-G305 PolarHBondContact O-N 2.72Å
304	D	47.6	Very low	53.7	Low	153 Å²	153	135.8 Å²	135.8	82%	0.818	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.7	14	-179.1	-45.6	-74.2	0	0	0	114.6	M302 D306	M302-D304 PolarHBondContact O-N 3.02Å; D304-D306 PolarHBondContact O-N 3.33Å
305	G	52.9	Low	53.1	Low	55 Å²	55	129 Å²	129	57%	0.567	66%	0.655	S	S	*	*			trans	73	-4.7	167.5	0	0	0	0	0	117.4	M302 V303 I307	M302-G305 PolarHBondContact O-N 2.81Å; M302-G305 VanDerWaalsContact O-N 3.17Å; V303-G305 PolarHBondContact O-N 2.72Å; G305-I307 VanDerWaalsContact C-N 3.28Å; G305-I307 PolarHBondContact O-N 2.91Å
306	D	52.8	Low	52.8	Low	118 Å²	118	129.2 Å²	129.2	63%	0.631	66%	0.657	S	S	*	*			trans	-80.4	69.9	-173.3	-143.3	-2.5	0	0	0	113	M302 D304	M302-D306 HydrophobicContact CE-CB 4.38Å; M302-D306 WeakPolarHBondContact CE-O 3.32Å; D304-D306 PolarHBondContact O-N 3.33Å
307	I	47.5	Very low	53.3	Low	87 Å²	87	127.2 Å²	127.2	45%	0.446	65%	0.65	S	S	.	*			trans	-50.2	122.2	-176.7	-62.6	171.5	0	0	0	110.4	G305 T309 V311 K312	G305-I307 VanDerWaalsContact C-N 3.28Å; G305-I307 PolarHBondContact O-N 2.91Å; I307-T309 PolarHBondContact O-N 3.5Å; I307-V311 HydrophobicContact CG2-CB 3.75Å; I307-V311 HydrophobicContact CG2-CG1 3.93Å; I307-K312 HydrophobicContact CB-CG 4.41Å; I307-K312 HydrophobicContact CG2-CG 3.94Å; I307-K312 WeakPolarHBondContact O-CE 3.43Å
308	P	49.7	Very low	54.2	Low	66 Å²	66	122 Å²	122	43%	0.429	63%	0.628	S	S	.	*			trans	-57.4	139.7	179.1	-26.1	35.3	0	0	0	111.2	M302 R310 V311 K312	M302-P308 HydrophobicContact SD-CG 3.58Å; M302-P308 VanDerWaalsContact SD-CG 3.58Å; P308-R310 PolarHBondContact O-N 2.82Å; P308-V311 WeakPolarHBondContact O-CB 3.45Å; P308-V311 PolarHBondContact O-N 2.9Å; P308-K312 PolarHBondContact O-N 3Å
309	T	53	Low	55.1	Low	115 Å²	115	119.8 Å²	119.8	71%	0.706	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.5	-25.9	-172.4	52.4	0	0	0	0	114.3	I307 V311 K312	I307-T309 PolarHBondContact O-N 3.5Å; T309-V311 VanDerWaalsContact C-N 3.28Å; T309-V311 PolarHBondContact O-N 3.27Å; T309-K312 PolarHBondContact O-N 2.91Å
310	R	49.2	Very low	56	Low	221 Å²	221	110.8 Å²	110.8	83%	0.834	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.1	-21.7	173.9	-59	-176.4	74.7	177.3	4.4	114.2	P308	P308-R310 PolarHBondContact O-N 2.82Å
311	V	49.8	Very low	57.1	Low	102 Å²	102	104.1 Å²	104.1	62%	0.618	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.7	-12.8	179.7	-175.1	0	0	0	0	111.6	I307 P308 T309 R313	I307-V311 HydrophobicContact CG2-CB 3.75Å; I307-V311 HydrophobicContact CG2-CG1 3.93Å; P308-V311 WeakPolarHBondContact O-CB 3.45Å; P308-V311 PolarHBondContact O-N 2.9Å; T309-V311 VanDerWaalsContact C-N 3.28Å; T309-V311 PolarHBondContact O-N 3.27Å; V311-R313 VanDerWaalsContact C-N 3.25Å; V311-R313 PolarHBondContact O-N 3.27Å
312	K	51.7	Low	58.1	Low	132 Å²	132	103.5 Å²	103.5	57%	0.574	55%	0.546	S	S	*	.	S	Bend	trans	-71	-15.1	175.5	-67.1	-172.5	176.8	169.4	0	113.9	I307 P308 T309	I307-K312 HydrophobicContact CB-CG 4.41Å; I307-K312 HydrophobicContact CG2-CG 3.94Å; I307-K312 WeakPolarHBondContact O-CE 3.43Å; P308-K312 PolarHBondContact O-N 3Å; T309-K312 PolarHBondContact O-N 2.91Å
313	R	55.8	Low	59.1	Low	139 Å²	139	103.9 Å²	103.9	53%	0.525	55%	0.549	S	S	.	.	S	Bend	trans	-84	129.4	165.7	-68.5	-167.6	-175.2	-164.1	4.7	109.1	V311 L318 D321	V311-R313 VanDerWaalsContact C-N 3.25Å; V311-R313 PolarHBondContact O-N 3.27Å; R313-L318 HydrophobicContact CB-CD2 3.91Å; R313-L318 HydrophobicContact CB-CG 3.98Å; R313-L318 HydrophobicContact CG-CD2 4.48Å; R313-D321 IonicContact CZ-OD2 2.71Å; R313-D321 IonicContact NH1-OD2 3.62Å; R313-D321 PolarHBondContact NH1-OD2 3.5Å
314	S	56.2	Low	60.1	Low	53 Å²	53	105.3 Å²	105.3	37%	0.371	54%	0.539	S	S	.	.			trans	-62.2	149.2	175.6	62.1	0	0	0	0	110.8	H316 E317 L318	S314-H316 PolarHBondContact O-N 3.48Å; S314-H316 VanDerWaalsContact O-N 3.17Å; S314-E317 PolarHBondContact N-OE2 2.93Å; S314-E317 PolarHBondContact O-N 2.91Å; S314-E317 WeakPolarHBondContact OG-CB 3.25Å; S314-E317 VanDerWaalsContact OG-CG 3.27Å; S314-E317 WeakPolarHBondContact OG-CG 3.44Å; S314-E317 PolarHBondContact OG-N 2.66Å; S314-E317 VanDerWaalsContact OG-N 3.12Å; S314-E317 PolarHBondContact OG-OE2 3.17Å; S314-L318 PolarHBondContact O-N 3.09Å
315	A	57.3	Low	61.1	Low	71 Å²	71	102.2 Å²	102.2	59%	0.587	53%	0.53	S	S	*	.	H	α-helix	trans	-55.1	-36.1	174.7	0	0	0	0	0	111.5	L318 I319	A315-L318 PolarHBondContact O-N 3.36Å; A315-I319 WeakPolarHBondContact O-CB 3.33Å; A315-I319 WeakPolarHBondContact O-CD1 3.19Å; A315-I319 WeakPolarHBondContact O-CG1 3.36Å; A315-I319 PolarHBondContact O-N 3.47Å
316	H	54.1	Low	61.8	Low	130 Å²	130	106 Å²	106	60%	0.602	53%	0.527	S	S	*	.	H	α-helix	trans	-59.4	-43.2	172.4	177.9	-104.6	0	0	0	113.3	S314 L320	S314-H316 PolarHBondContact O-N 3.48Å; S314-H316 VanDerWaalsContact O-N 3.17Å; H316-L320 WeakPolarHBondContact CE1-CD1 3.25Å; H316-L320 WeakPolarHBondContact O-CB 3.39Å; H316-L320 VanDerWaalsContact O-CG 3.26Å; H316-L320 WeakPolarHBondContact O-CG 3.34Å; H316-L320 PolarHBondContact O-N 3.43Å
317	E	73.6	Confident	62.1	Low	91 Å²	91	105.4 Å²	105.4	43%	0.425	53%	0.53	S	S	.	.	H	α-helix	trans	-68.8	-39.5	173.8	-77.4	167	141.2	0	0	112.9	S314 I319 L320 D321	S314-E317 PolarHBondContact N-OE2 2.93Å; S314-E317 PolarHBondContact O-N 2.91Å; S314-E317 WeakPolarHBondContact OG-CB 3.25Å; S314-E317 VanDerWaalsContact OG-CG 3.27Å; S314-E317 WeakPolarHBondContact OG-CG 3.44Å; S314-E317 PolarHBondContact OG-N 2.66Å; S314-E317 VanDerWaalsContact OG-N 3.12Å; S314-E317 PolarHBondContact OG-OE2 3.17Å; E317-I319 VanDerWaalsContact C-N 3.32Å; E317-I319 PolarHBondContact O-N 2.88Å; E317-L320 PolarHBondContact O-N 3.11Å; E317-D321 WeakPolarHBondContact O-CB 3.2Å; E317-D321 PolarHBondContact O-N 2.97Å
318	L	73.3	Confident	62.8	Low	86 Å²	86	107.4 Å²	107.4	45%	0.45	55%	0.548	S	S	.	.	H	α-helix	trans	-63.5	-39.5	176.1	-66.2	174.4	0	0	0	111.5	R313 S314 A315 F322	R313-L318 HydrophobicContact CB-CD2 3.91Å; R313-L318 HydrophobicContact CB-CG 3.98Å; R313-L318 HydrophobicContact CG-CD2 4.48Å; S314-L318 PolarHBondContact O-N 3.09Å; A315-L318 PolarHBondContact O-N 3.36Å; L318-F322 VanDerWaalsContact O-CB 3.29Å; L318-F322 WeakPolarHBondContact O-CB 3.49Å; L318-F322 PolarHBondContact O-N 3.47Å
319	I	72.3	Confident	63	Low	100 Å²	100	110.1 Å²	110.1	51%	0.513	56%	0.558	S	S	.	*	H	α-helix	trans	-66.3	-44.6	173.3	-70.4	163.5	0	0	0	110.7	A315 E317 F322 I323	A315-I319 WeakPolarHBondContact O-CB 3.33Å; A315-I319 WeakPolarHBondContact O-CD1 3.19Å; A315-I319 WeakPolarHBondContact O-CG1 3.36Å; A315-I319 PolarHBondContact O-N 3.47Å; E317-I319 VanDerWaalsContact C-N 3.32Å; E317-I319 PolarHBondContact O-N 2.88Å; I319-F322 PolarHBondContact O-N 3.36Å; I319-I323 HydrophobicContact CG2-CD1 3.8Å; I319-I323 VanDerWaalsContact O-CG1 3.27Å; I319-I323 WeakPolarHBondContact O-CG1 2.84Å; I319-I323 PolarHBondContact O-N 3.33Å
320	L	70.7	Confident	63.4	Low	50 Å²	50	110.8 Å²	110.8	26%	0.262	55%	0.551	S	S	.	*	H	α-helix	trans	-66.2	-40.3	178.4	-76.8	173.3	0	0	0	112.7	H316 E317 F322 I323 R324	H316-L320 WeakPolarHBondContact CE1-CD1 3.25Å; H316-L320 WeakPolarHBondContact O-CB 3.39Å; H316-L320 VanDerWaalsContact O-CG 3.26Å; H316-L320 WeakPolarHBondContact O-CG 3.34Å; H316-L320 PolarHBondContact O-N 3.43Å; E317-L320 PolarHBondContact O-N 3.11Å; L320-F322 VanDerWaalsContact C-N 3.34Å; L320-I323 PolarHBondContact O-N 3.38Å; L320-R324 WeakPolarHBondContact O-CB 3.43Å; L320-R324 WeakPolarHBondContact O-CD 3.41Å; L320-R324 WeakPolarHBondContact O-CG 3.48Å; L320-R324 PolarHBondContact O-N 3.32Å
321	D	74.7	Confident	64.3	Low	56 Å²	56	103.4 Å²	103.4	30%	0.299	53%	0.532	S	S	.	.	H	α-helix	trans	-64.2	-39.9	173.6	-77	-4.5	0	0	0	111	R313 E317 I323 R324 S325	R313-D321 IonicContact CZ-OD2 2.71Å; R313-D321 IonicContact NH1-OD2 3.62Å; R313-D321 PolarHBondContact NH1-OD2 3.5Å; E317-D321 WeakPolarHBondContact O-CB 3.2Å; E317-D321 PolarHBondContact O-N 2.97Å; D321-I323 VanDerWaalsContact C-N 3.33Å; D321-I323 PolarHBondContact O-N 2.86Å; D321-R324 PolarHBondContact O-N 3.13Å; D321-R324 IonicContact OD1-CZ 2.76Å; D321-R324 IonicContact OD1-NH1 3.7Å; D321-R324 PolarHBondContact OD1-NH1 2.86Å; D321-S325 VanDerWaalsContact O-CB 3.22Å; D321-S325 WeakPolarHBondContact O-CB 3.14Å; D321-S325 PolarHBondContact O-N 3.34Å; D321-S325 PolarHBondContact O-OG 3.33Å
322	F	72.8	Confident	64.4	Low	120 Å²	120	103.2 Å²	103.2	53%	0.526	53%	0.531	S	S	.	.	H	α-helix	trans	-65.9	-30.9	174.3	-176.1	-115.5	0	0	0	113.7	L318 I319 L320 S325 R326	L318-F322 VanDerWaalsContact O-CB 3.29Å; L318-F322 WeakPolarHBondContact O-CB 3.49Å; L318-F322 PolarHBondContact O-N 3.47Å; I319-F322 PolarHBondContact O-N 3.36Å; L320-F322 VanDerWaalsContact C-N 3.34Å; F322-S325 PolarHBondContact O-OG 2.91Å; F322-R326 VanDerWaalsContact CE1-NH2 3.26Å; F322-R326 WeakPolarHBondContact O-CG 3.43Å
323	I	71.8	Confident	65.1	Low	104 Å²	104	102.5 Å²	102.5	53%	0.533	54%	0.543	S	S	.	.	H	α-helix	trans	-72.4	-44.8	172.1	-70.3	163.7	0	0	0	110.2	I319 L320 D321	I319-I323 HydrophobicContact CG2-CD1 3.8Å; I319-I323 VanDerWaalsContact O-CG1 3.27Å; I319-I323 WeakPolarHBondContact O-CG1 2.84Å; I319-I323 PolarHBondContact O-N 3.33Å; L320-I323 PolarHBondContact O-N 3.38Å; D321-I323 VanDerWaalsContact C-N 3.33Å; D321-I323 PolarHBondContact O-N 2.86Å
324	R	75.5	Confident	65.8	Low	162 Å²	162	100.8 Å²	100.8	61%	0.611	54%	0.541	S	S	*	.	H	α-helix	trans	-68.1	-31.5	178.8	-68	160.1	-173.4	151.1	-1.7	113.5	L320 D321 R326	L320-R324 WeakPolarHBondContact O-CB 3.43Å; L320-R324 WeakPolarHBondContact O-CD 3.41Å; L320-R324 WeakPolarHBondContact O-CG 3.48Å; L320-R324 PolarHBondContact O-N 3.32Å; D321-R324 PolarHBondContact O-N 3.13Å; D321-R324 IonicContact OD1-CZ 2.76Å; D321-R324 IonicContact OD1-NH1 3.7Å; D321-R324 PolarHBondContact OD1-NH1 2.86Å; R324-R326 VanDerWaalsContact C-N 3.31Å
325	S	69.3	Low	66.5	Low	89 Å²	89	103.5 Å²	103.5	62%	0.622	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-7.1	-177.1	72.3	0	0	0	0	113.7	D321 F322	D321-S325 VanDerWaalsContact O-CB 3.22Å; D321-S325 WeakPolarHBondContact O-CB 3.14Å; D321-S325 PolarHBondContact O-N 3.34Å; D321-S325 PolarHBondContact O-OG 3.33Å; F322-S325 PolarHBondContact O-OG 2.91Å
326	R	66	Low	67.1	Low	135 Å²	135	106.2 Å²	106.2	51%	0.509	56%	0.558	S	S	.	*	S	Bend	trans	-81.2	137.4	172	-76	175	-179.9	-119.6	4.1	109.5	F322 R324	F322-R326 VanDerWaalsContact CE1-NH2 3.26Å; F322-R326 WeakPolarHBondContact O-CG 3.43Å; R324-R326 VanDerWaalsContact C-N 3.31Å
327	P	59.2	Low	67.2	Low	105 Å²	105	106.4 Å²	106.4	68%	0.682	56%	0.562	S	S	*	*	P	Polyproline II helix	trans	-53.5	147.3	165.8	-24	34	0	0	0	110.7	L329	P327-L329 PolarHBondContact O-N 2.79Å; P327-L329 VanDerWaalsContact O-N 3.12Å
328	P	62.1	Low	67	Low	128 Å²	128	107.1 Å²	107.1	83%	0.831	58%	0.575	S	S	*	*	P	Polyproline II helix	trans	-55.4	122.5	176.2	23.4	-33.2	0	0	0	109.5	K330	P328-K330 PolarHBondContact O-N 3.49Å
329	L	54.3	Low	66.8	Low	123 Å²	123	108.6 Å²	108.6	64%	0.644	59%	0.589	S	S	*	*	P	Polyproline II helix	trans	-66.6	120.2	-174.4	-61.4	176.1	0	0	0	109.6	P327	P327-L329 PolarHBondContact O-N 2.79Å; P327-L329 VanDerWaalsContact O-N 3.12Å
330	K	61.4	Low	66.3	Low	129 Å²	129	109.2 Å²	109.2	56%	0.561	60%	0.6	S	S	*	*	P	Polyproline II helix	trans	-46.4	144.1	171.7	-81.4	177.2	163.7	-94.7	0	111.4	P328 E334 R335	P328-K330 PolarHBondContact O-N 3.49Å; K330-E334 HydrophobicContact CB-CB 4.12Å; K330-E334 HydrophobicContact CD-CB 4.39Å; K330-E334 WeakPolarHBondContact CD-OE2 3.37Å; K330-E334 WeakPolarHBondContact CG-OE2 3.29Å; K330-E334 IonicContact NZ-OE2 3.68Å; K330-E334 PolarHBondContact NZ-OE2 2.97Å; K330-R335 VanDerWaalsContact O-CZ 3.23Å; K330-R335 PolarHBondContact O-NE 3.12Å; K330-R335 PolarHBondContact O-NH2 3.08Å
331	P	68.1	Low	66.2	Low	66 Å²	66	112.1 Å²	112.1	43%	0.429	62%	0.622	S	S	.	*			trans	-45	148.2	170.9	-29.5	35.4	0	0	0	112.6	S333 E334	P331-S333 WeakPolarHBondContact CB-OG 3.3Å; P331-S333 PolarHBondContact O-N 3.31Å; P331-E334 HydrophobicContact CB-CG 4.45Å; P331-E334 WeakPolarHBondContact CD-OE1 3.44Å; P331-E334 PolarHBondContact O-N 3.12Å
332	V	52.8	Low	66	Low	98 Å²	98	115.5 Å²	115.5	59%	0.594	65%	0.647	S	S	*	*	G	3₁₀ helix	trans	-61.1	-31.5	-179.6	175.5	0	0	0	0	111.5	E334 R335	V332-E334 PolarHBondContact O-N 3.24Å; V332-R335 PolarHBondContact O-N 3.13Å; V332-R335 VanDerWaalsContact O-N 3.08Å
333	S	66.9	Low	65.9	Low	117 Å²	117	121.2 Å²	121.2	82%	0.818	67%	0.665	S	S	*	*	G	3₁₀ helix	trans	-61.2	-23	171.8	44.6	0	0	0	0	114.8	P331	P331-S333 WeakPolarHBondContact CB-OG 3.3Å; P331-S333 PolarHBondContact O-N 3.31Å
334	E	69.2	Low	66.1	Low	103 Å²	103	123.7 Å²	123.7	48%	0.481	67%	0.674	S	S	.	*	G	3₁₀ helix	trans	-92.5	3.5	175.4	-70.3	-177.3	-135.7	0	0	113.1	K330 P331 V332	K330-E334 HydrophobicContact CB-CB 4.12Å; K330-E334 HydrophobicContact CD-CB 4.39Å; K330-E334 WeakPolarHBondContact CD-OE2 3.37Å; K330-E334 WeakPolarHBondContact CG-OE2 3.29Å; K330-E334 IonicContact NZ-OE2 3.68Å; K330-E334 PolarHBondContact NZ-OE2 2.97Å; P331-E334 HydrophobicContact CB-CG 4.45Å; P331-E334 WeakPolarHBondContact CD-OE1 3.44Å; P331-E334 PolarHBondContact O-N 3.12Å; V332-E334 PolarHBondContact O-N 3.24Å
335	R	71.4	Confident	66.2	Low	111 Å²	111	119.3 Å²	119.3	42%	0.419	67%	0.667	S	S	.	*			trans	-108	108.1	-179.1	-55.8	-179.2	-154.3	168.6	8.8	109.7	K330 V332 L337	K330-R335 VanDerWaalsContact O-CZ 3.23Å; K330-R335 PolarHBondContact O-NE 3.12Å; K330-R335 PolarHBondContact O-NH2 3.08Å; V332-R335 PolarHBondContact O-N 3.13Å; V332-R335 VanDerWaalsContact O-N 3.08Å; R335-L337 PolarHBondContact O-N 2.71Å
336	S	69.2	Low	66.8	Low	128 Å²	128	117.7 Å²	117.7	90%	0.895	66%	0.655	S	S	*	*			trans	-62.1	100	163.8	-56.5	0	0	0	0	109
337	L	56.8	Low	67.3	Low	133 Å²	133	117.7 Å²	117.7	70%	0.696	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-64.8	144.6	168.5	-63.4	177.2	0	0	0	108.8	R335	R335-L337 PolarHBondContact O-N 2.71Å
338	P	68.9	Low	68.5	Low	107 Å²	107	118.5 Å²	118.5	70%	0.695	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-53.4	144.6	162.5	-21.7	33.2	0	0	0	109.5
339	P	69.6	Low	69.6	Low	116 Å²	116	116.1 Å²	116.1	75%	0.753	64%	0.64	S	S	*	*	P	Polyproline II helix	trans	-56.3	141.3	172.1	25.9	-33.9	0	0	0	109.1
340	P	62.2	Low	71.1	Confident	114 Å²	114	115.9 Å²	115.9	74%	0.74	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-57.7	143.6	176.9	25.5	-34	0	0	0	109.4
341	P	68.3	Low	72.1	Confident	111 Å²	111	114.2 Å²	114.2	72%	0.721	63%	0.626	S	S	*	*	P	Polyproline II helix	trans	-55.8	142.2	177.6	24.7	-33.9	0	0	0	109.6	R343	P341-R343 PolarHBondContact O-N 3.29Å; P341-R343 VanDerWaalsContact O-N 3.09Å
342	P	70.9	Confident	72.9	Confident	126 Å²	126	114 Å²	114	82%	0.818	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-57.7	120.8	-178.3	24.3	-33.5	0	0	0	109	E344	P342-E344 PolarHBondContact O-N 3.08Å
343	R	69.7	Low	74.3	Confident	240 Å²	240	112 Å²	112	91%	0.906	62%	0.615	S	S	*	*	P	Polyproline II helix	trans	-61.8	123.9	175.8	-75.1	-177.6	171.3	-178.2	-4.5	108.4	P341	P341-R343 PolarHBondContact O-N 3.29Å; P341-R343 VanDerWaalsContact O-N 3.09Å
344	E	75.7	Confident	75	Confident	157 Å²	157	111 Å²	111	73%	0.734	60%	0.597	S	S	*	*	P	Polyproline II helix	trans	-60.1	136.9	167.5	-73.5	-161.9	-147	0	0	109.8	P342 S346 R350	P342-E344 PolarHBondContact O-N 3.08Å; E344-S346 PolarHBondContact O-N 2.95Å; E344-R350 IonicContact OE2-NH2 3.67Å; E344-R350 PolarHBondContact OE2-NH2 3.38Å
345	P	78.5	Confident	75.5	Confident	70 Å²	70	112 Å²	112	46%	0.455	61%	0.605	S	S	.	*	P	Polyproline II helix	trans	-63.8	132.1	175	26.2	-32.4	0	0	0	108.9	D349 R350	P345-D349 HydrophobicContact CB-CB 4.01Å; P345-R350 HydrophobicContact CB-CG 4.16Å; P345-R350 HydrophobicContact CG-CG 4.08Å; P345-R350 PolarHBondContact O-NE 3.44Å; P345-R350 PolarHBondContact O-NH2 2.81Å; P345-R350 VanDerWaalsContact O-NH2 3.16Å
346	S	81.2	Confident	75.9	Confident	54 Å²	54	114.6 Å²	114.6	38%	0.378	62%	0.619	S	S	.	*	P	Polyproline II helix	trans	-65	165.2	179.1	71.6	0	0	0	0	111	E344 H348 D349 R350	E344-S346 PolarHBondContact O-N 2.95Å; S346-H348 PolarHBondContact O-N 2.91Å; S346-D349 VanDerWaalsContact CB-OD2 3.29Å; S346-D349 WeakPolarHBondContact CB-OD2 3.44Å; S346-D349 PolarHBondContact N-OD2 3.04Å; S346-D349 PolarHBondContact O-N 3.33Å; S346-D349 PolarHBondContact OG-N 3.14Å; S346-D349 VanDerWaalsContact OG-N 3.17Å; S346-D349 PolarHBondContact OG-OD2 2.91Å; S346-R350 WeakPolarHBondContact O-CG 3.29Å; S346-R350 PolarHBondContact O-N 3.39Å
347	L	77.4	Confident	76.3	Confident	136 Å²	136	115.3 Å²	115.3	71%	0.712	61%	0.608	S	S	*	*	H	α-helix	trans	-55.4	-38.4	174.6	-64.8	177.4	0	0	0	111.6	R350 I351	L347-R350 PolarHBondContact O-N 3.49Å; L347-I351 WeakPolarHBondContact O-CB 3.36Å; L347-I351 WeakPolarHBondContact O-CD1 3.44Å; L347-I351 WeakPolarHBondContact O-CG1 3.48Å; L347-I351 PolarHBondContact O-N 2.97Å
348	H	83.6	Confident	76.7	Confident	122 Å²	122	117.9 Å²	117.9	57%	0.565	62%	0.617	S	S	*	*	H	α-helix	trans	-61.4	-44.1	173.4	173.4	-95.5	0	0	0	112.5	S346 I351 L352	S346-H348 PolarHBondContact O-N 2.91Å; H348-I351 PolarHBondContact O-N 3.37Å; H348-L352 WeakPolarHBondContact CE1-CD1 3.35Å; H348-L352 WeakPolarHBondContact O-CB 3.41Å; H348-L352 WeakPolarHBondContact O-CG 3.45Å; H348-L352 PolarHBondContact O-N 3.38Å
349	D	85.8	Confident	76.9	Confident	78 Å²	78	121 Å²	121	42%	0.417	62%	0.615	S	S	.	*	H	α-helix	trans	-68.7	-37.1	178.6	-54.6	-48.1	0	0	0	112.2	P345 S346 L352 A353	P345-D349 HydrophobicContact CB-CB 4.01Å; S346-D349 VanDerWaalsContact CB-OD2 3.29Å; S346-D349 WeakPolarHBondContact CB-OD2 3.44Å; S346-D349 PolarHBondContact N-OD2 3.04Å; S346-D349 PolarHBondContact O-N 3.33Å; S346-D349 PolarHBondContact OG-N 3.14Å; S346-D349 VanDerWaalsContact OG-N 3.17Å; S346-D349 PolarHBondContact OG-OD2 2.91Å; D349-L352 PolarHBondContact O-N 3.25Å; D349-A353 WeakPolarHBondContact O-CB 3.45Å; D349-A353 PolarHBondContact O-N 2.75Å
350	R	85.3	Confident	77	Confident	118 Å²	118	125.4 Å²	125.4	45%	0.445	62%	0.622	S	S	.	*	H	α-helix	trans	-63.6	-46.4	174.3	-65.2	177.8	-158.5	-153	1.1	110.7	E344 P345 S346 L347 A353 E354	E344-R350 IonicContact OE2-NH2 3.67Å; E344-R350 PolarHBondContact OE2-NH2 3.38Å; P345-R350 HydrophobicContact CB-CG 4.16Å; P345-R350 HydrophobicContact CG-CG 4.08Å; P345-R350 PolarHBondContact O-NE 3.44Å; P345-R350 PolarHBondContact O-NH2 2.81Å; P345-R350 VanDerWaalsContact O-NH2 3.16Å; S346-R350 WeakPolarHBondContact O-CG 3.29Å; S346-R350 PolarHBondContact O-N 3.39Å; L347-R350 PolarHBondContact O-N 3.49Å; R350-A353 PolarHBondContact O-N 2.66Å; R350-E354 WeakPolarHBondContact O-CB 3.39Å; R350-E354 PolarHBondContact O-N 3.03Å
351	I	83	Confident	77.3	Confident	93 Å²	93	127.5 Å²	127.5	48%	0.477	63%	0.626	S	S	.	*	H	α-helix	trans	-62.4	-44.8	175.8	-70.3	164.2	0	0	0	111	L347 H348 A353 E354 I355	L347-I351 WeakPolarHBondContact O-CB 3.36Å; L347-I351 WeakPolarHBondContact O-CD1 3.44Å; L347-I351 WeakPolarHBondContact O-CG1 3.48Å; L347-I351 PolarHBondContact O-N 2.97Å; H348-I351 PolarHBondContact O-N 3.37Å; I351-A353 VanDerWaalsContact C-N 3.33Å; I351-A353 PolarHBondContact O-N 3.07Å; I351-E354 PolarHBondContact O-N 2.91Å; I351-I355 HydrophobicContact CG2-CD1 3.68Å; I351-I355 HydrophobicContact CG2-CG1 4.43Å; I351-I355 WeakPolarHBondContact O-CB 3.3Å; I351-I355 VanDerWaalsContact O-CG1 3.27Å; I351-I355 WeakPolarHBondContact O-CG1 3.36Å; I351-I355 PolarHBondContact O-N 2.96Å
352	L	84.4	Confident	77.5	Confident	62 Å²	62	133.3 Å²	133.3	33%	0.325	63%	0.634	S	S	.	*	H	α-helix	trans	-66.7	-31.5	176.4	-75.1	-175.5	0	0	0	113.3	H348 D349 K356	H348-L352 WeakPolarHBondContact CE1-CD1 3.35Å; H348-L352 WeakPolarHBondContact O-CB 3.41Å; H348-L352 WeakPolarHBondContact O-CG 3.45Å; H348-L352 PolarHBondContact O-N 3.38Å; D349-L352 PolarHBondContact O-N 3.25Å; L352-K356 WeakPolarHBondContact O-CB 3.33Å; L352-K356 WeakPolarHBondContact O-CD 3.25Å; L352-K356 WeakPolarHBondContact O-CG 3.49Å; L352-K356 PolarHBondContact O-N 2.88Å; L352-K356 VanDerWaalsContact O-N 3.15Å
353	A	81.8	Confident	77.2	Confident	57 Å²	57	133.3 Å²	133.3	47%	0.471	63%	0.634	S	S	.	*	H	α-helix	trans	-68.3	-43.3	172.2	0	0	0	0	0	111.2	D349 R350 I351 K356 Q357	D349-A353 WeakPolarHBondContact O-CB 3.45Å; D349-A353 PolarHBondContact O-N 2.75Å; R350-A353 PolarHBondContact O-N 2.66Å; I351-A353 VanDerWaalsContact C-N 3.33Å; I351-A353 PolarHBondContact O-N 3.07Å; A353-K356 PolarHBondContact O-N 3.08Å; A353-Q357 PolarHBondContact O-N 3.45Å
354	E	82.5	Confident	77	Confident	95 Å²	95	128.4 Å²	128.4	44%	0.444	63%	0.63	S	S	.	*	H	α-helix	trans	-67.7	-34.5	178.5	-165.9	179.6	-168.8	0	0	112.8	R350 I351 Q357 R359	R350-E354 WeakPolarHBondContact O-CB 3.39Å; R350-E354 PolarHBondContact O-N 3.03Å; I351-E354 PolarHBondContact O-N 2.91Å; E354-Q357 PolarHBondContact O-N 2.84Å; E354-R359 IonicContact OE1-CZ 2.66Å; E354-R359 IonicContact OE1-NH2 3.67Å; E354-R359 PolarHBondContact OE1-NH2 3.42Å; E354-R359 IonicContact OE2-NH2 2.71Å
355	I	78.9	Confident	76.4	Confident	125 Å²	125	126.2 Å²	126.2	64%	0.641	63%	0.627	S	S	*	*	H	α-helix	trans	-68.8	-35.7	172.6	-69.9	166.4	0	0	0	111.4	I351 Q357	I351-I355 HydrophobicContact CG2-CD1 3.68Å; I351-I355 HydrophobicContact CG2-CG1 4.43Å; I351-I355 WeakPolarHBondContact O-CB 3.3Å; I351-I355 VanDerWaalsContact O-CG1 3.27Å; I351-I355 WeakPolarHBondContact O-CG1 3.36Å; I351-I355 PolarHBondContact O-N 2.96Å; I355-Q357 VanDerWaalsContact C-N 3.29Å
356	K	80.1	Confident	75.2	Confident	164 Å²	164	128.5 Å²	128.5	71%	0.713	64%	0.642	S	S	*	*	H	α-helix	trans	-74.9	-17.8	175.2	-73.1	167.9	-173.8	172.6	0	113.2	L352 A353 E358	L352-K356 WeakPolarHBondContact O-CB 3.33Å; L352-K356 WeakPolarHBondContact O-CD 3.25Å; L352-K356 WeakPolarHBondContact O-CG 3.49Å; L352-K356 PolarHBondContact O-N 2.88Å; L352-K356 VanDerWaalsContact O-N 3.15Å; A353-K356 PolarHBondContact O-N 3.08Å; K356-E358 PolarHBondContact O-N 3.24Å
357	Q	78.1	Confident	73.7	Confident	143 Å²	143	134.7 Å²	134.7	67%	0.668	66%	0.664	S	S	*	*	S	Bend	trans	-83.6	98.1	176.6	-169.1	170.1	21.3	0	0	109.3	A353 E354 I355 R359	A353-Q357 PolarHBondContact O-N 3.45Å; E354-Q357 PolarHBondContact O-N 2.84Å; I355-Q357 VanDerWaalsContact C-N 3.29Å; Q357-R359 PolarHBondContact O-N 3.46Å
358	E	65.5	Low	72.4	Confident	187 Å²	187	135 Å²	135	87%	0.874	67%	0.672	S	S	*	*			trans	-49.7	100.1	-173	-67.2	-172.6	161.1	0	0	113.5	K356 K360	K356-E358 PolarHBondContact O-N 3.24Å; E358-K360 PolarHBondContact O-N 2.96Å
359	R	73.4	Confident	70.9	Confident	174 Å²	174	133.8 Å²	133.8	66%	0.657	68%	0.684	S	S	*	*			trans	-72.5	109	175.4	-70.1	179.6	171.3	-176.8	-3.4	109.2	E354 Q357 L361	E354-R359 IonicContact OE1-CZ 2.66Å; E354-R359 IonicContact OE1-NH2 3.67Å; E354-R359 PolarHBondContact OE1-NH2 3.42Å; E354-R359 IonicContact OE2-NH2 2.71Å; Q357-R359 PolarHBondContact O-N 3.46Å; R359-L361 PolarHBondContact O-N 3.03Å
360	K	70.7	Confident	69.2	Low	208 Å²	208	141.8 Å²	141.8	90%	0.904	71%	0.708	S	S	*	*			trans	-60.8	102.3	174.2	-67.3	-175.4	179.6	-178.8	0	110.5	E358	E358-K360 PolarHBondContact O-N 2.96Å
361	L	69.5	Low	67.4	Low	158 Å²	158	141.4 Å²	141.4	83%	0.827	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-60.6	143.7	173.1	-60.1	178.6	0	0	0	110	R359	R359-L361 PolarHBondContact O-N 3.03Å
362	R	70.4	Confident	65.4	Low	233 Å²	233	147.3 Å²	147.3	88%	0.879	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-68.1	132.5	175.1	-67.7	-174.4	-179	-177.8	1.3	109.2	V364	R362-V364 PolarHBondContact O-N 3.49Å
363	P	65.4	Low	63.2	Low	126 Å²	126	148 Å²	148	82%	0.818	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-59.3	132.1	175.9	-24.3	34.2	0	0	0	111.6
364	V	65.4	Low	61.1	Low	136 Å²	136	150.8 Å²	150.8	82%	0.824	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-84.9	126.3	169.6	-179.7	0	0	0	0	108	R362 P366	R362-V364 PolarHBondContact O-N 3.49Å; V364-P366 WeakPolarHBondContact O-CD 3.27Å
365	V	64.1	Low	59.3	Low	112 Å²	112	154.4 Å²	154.4	68%	0.679	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-72.7	126.1	179.4	-178.6	0	0	0	0	109.5	H367	V365-H367 PolarHBondContact O-N 3.28Å
366	P	52.2	Low	57.5	Low	117 Å²	117	153.6 Å²	153.6	76%	0.76	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-69.5	120.1	175.7	-17.9	31.8	0	0	0	111	V364	V364-P366 WeakPolarHBondContact O-CD 3.27Å
367	H	49.3	Very low	55.4	Low	184 Å²	184	151.5 Å²	151.5	85%	0.852	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-73.6	133.6	171	-73.1	-88.6	0	0	0	110.6	V365	V365-H367 PolarHBondContact O-N 3.28Å
368	T	50.6	Low	53.4	Low	142 Å²	142	153.4 Å²	153.4	87%	0.871	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-69.3	127.8	178.5	49.1	0	0	0	0	111.7
369	A	52.8	Low	52	Low	98 Å²	98	148.3 Å²	148.3	81%	0.81	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-77.2	144.9	-176.9	0	0	0	0	0	114
370	R	49.2	Very low	50.2	Low	246 Å²	246	148.6 Å²	148.6	93%	0.928	82%	0.823	S	S	*	*			trans	-161.9	161.2	148.6	-104.5	176.2	-170.9	-147.8	-0.8	109
371	P	47.7	Very low	48.3	Very low	109 Å²	109	144.5 Å²	144.5	71%	0.708	82%	0.816	S	S	*	*				-126.3	166.7	-125.5	36.1	-19.1	0	0	0	116.8
372	F	41.5	Very low	46.4	Very low	217 Å²	217	142.7 Å²	142.7	95%	0.952	82%	0.815	S	S	*	*			trans	11.1	121.1	154.4	-73.8	-94.6	0	0	0	118.6
373	G	37.2	Very low	45	Very low	78 Å²	78	137 Å²	137	80%	0.804	81%	0.808	S	S	*	*			trans	-152.5	-30.2	178	0	0	0	0	0	118.3
374	S	38.4	Very low	43.6	Very low	114 Å²	114	136.8 Å²	136.8	80%	0.797	81%	0.808	S	S	*	*			trans	-173.5	149.8	171.8	43.9	0	0	0	0	113
375	L	45.5	Very low	42	Very low	172 Å²	172	137.9 Å²	137.9	90%	0.901	81%	0.809	S	S	*	*			trans	-133.1	129.4	164.5	-78.3	172.5	0	0	0	107.6
376	P	40.1	Very low	40.6	Very low	108 Å²	108	138.1 Å²	138.1	70%	0.701	81%	0.811	S	S	*	*				-129.5	158.4	119.6	36.6	-30.3	0	0	0	112.8	L378	P376-L378 PolarHBondContact O-N 3.02Å
377	C	35.3	Very low	39.5	Very low	120 Å²	120	141.4 Å²	141.4	81%	0.811	81%	0.813	S	S	*	*			trans	-21.6	109.8	175.7	41.3	0	0	0	0	117.8	A379	C377-A379 PolarHBondContact O-N 2.97Å
378	L	37.4	Very low	38.5	Very low	183 Å²	183	137.3 Å²	137.3	96%	0.958	81%	0.805	S	S	*	*			trans	-73.7	103.5	156.4	-72.3	179	0	0	0	109.4	P376	P376-L378 PolarHBondContact O-N 3.02Å
379	A	35.3	Very low	37.8	Very low	80 Å²	80	136.5 Å²	136.5	66%	0.661	80%	0.8	S	S	*	*			trans	-113.5	109	173.4	0	0	0	0	0	110.5	C377	C377-A379 PolarHBondContact O-N 2.97Å
380	Q	34.9	Very low	36.9	Very low	179 Å²	179	137.3 Å²	137.3	84%	0.836	80%	0.8	S	S	*	*			trans	172	105.4	141.2	-92.1	158.7	29.7	0	0	107.4
381	T	31.1	Very low	35.9	Very low	123 Å²	123	131.6 Å²	131.6	76%	0.755	80%	0.797	S	S	*	*				69.1	133.2	71.2	65.9	0	0	0	0	112.9
382	C	31.1	Very low	35.4	Very low	119 Å²	119	134.4 Å²	134.4	80%	0.804	80%	0.804	S	S	*	*			cis	-147.8	170.4	7.6	-116.8	0	0	0	0	112.3
383	P	40.5	Very low	34.7	Very low	115 Å²	115	131.3 Å²	131.3	75%	0.747	80%	0.797	S	S	*	*			trans	-108.2	177.4	-157.9	42.1	-37.5	0	0	0	115.6
384	C	35.3	Very low	34.8	Very low	120 Å²	120	135.3 Å²	135.3	81%	0.811	80%	0.799	S	S	*	*			trans	-70.4	151.8	163.1	56.2	0	0	0	0	113.4
385	N	31.8	Very low	34.6	Very low	159 Å²	159	135.3 Å²	135.3	85%	0.85	80%	0.799	S	S	*	*			trans	-155.5	171.6	138.9	-152.6	-0.7	0	0	0	111.8
386	V	35.7	Very low	33.9	Very low	118 Å²	118	133.7 Å²	133.7	72%	0.715	80%	0.796	S	S	*	*			trans	-120.4	156.1	-174.7	-168.5	0	0	0	0	110.1
387	K	28.2	Very low	33.5	Very low	186 Å²	186	134 Å²	134	81%	0.809	80%	0.801	S	S	*	*			trans	104.8	133	159.2	-61.3	-173.4	176.1	-177.8	0	118.7
388	S	28.8	Very low	33.4	Very low	98 Å²	98	137 Å²	137	69%	0.685	80%	0.803	S	S	*	*			trans	59.3	110.1	132.4	-60.4	0	0	0	0	121.3
389	T	36.1	Very low	33.6	Very low	125 Å²	125	133.2 Å²	133.2	77%	0.767	79%	0.789	S	S	*	*				42.1	140.5	124.4	60.6	0	0	0	0	122.2
390	S	34.4	Very low	33.3	Very low	114 Å²	114	140.9 Å²	140.9	80%	0.797	80%	0.801	S	S	*	*			trans	68.6	85.3	153	69.2	0	0	0	0	119.1
391	C	27.5	Very low	33.3	Very low	127 Å²	127	138.5 Å²	138.5	86%	0.858	80%	0.801	S	S	*	*				-156.1	139.1	111.6	53.9	0	0	0	0	111.1
392	I	36.6	Very low	33.3	Very low	168 Å²	168	137.9 Å²	137.9	86%	0.862	80%	0.802	S	S	*	*			trans	-132.9	120.6	160.3	-65.6	178.4	0	0	0	104.7
393	D	27.7	Very low	33.7	Very low	152 Å²	152	140.5 Å²	140.5	81%	0.813	81%	0.807	S	S	*	*			trans	-103.5	158.5	169.1	-161.7	3	0	0	0	109.3
394	L	40	Very low	33.7	Very low	161 Å²	161	144 Å²	144	84%	0.843	81%	0.805	S	S	*	*			trans	-94.2	123.5	-157.2	-70.4	163.3	0	0	0	113.9
395	S	32.6	Very low	33.9	Very low	114 Å²	114	144.1 Å²	144.1	80%	0.797	81%	0.805	S	S	*	*			trans	-149.2	88.9	161.4	46.5	0	0	0	0	113
396	V	32.3	Very low	34.5	Very low	139 Å²	139	143.4 Å²	143.4	84%	0.842	79%	0.79	S	S	*	*			trans	4.3	115.1	154.3	-167.1	0	0	0	0	115.3
397	S	30.4	Very low	35.2	Very low	114 Å²	114	142.8 Å²	142.8	80%	0.797	78%	0.781	S	S	*	*				-159.9	152.4	82.3	-61.2	0	0	0	0	113.9
398	E	34.7	Very low	36.1	Very low	182 Å²	182	139 Å²	139	85%	0.85	77%	0.769	S	S	*	*			trans	-95.3	176.3	-174.6	-84.4	-159.1	169.3	0	0	114.6
399	P	39.7	Very low	37.1	Very low	104 Å²	104	137.3 Å²	137.3	68%	0.675	75%	0.753	S	S	*	*			cis	-137.4	150.4	-39.6	35.4	-19.9	0	0	0	113.8
400	R	30.5	Very low	37.5	Very low	242 Å²	242	137.9 Å²	137.9	91%	0.913	75%	0.745	S	S	*	*			trans	-143.2	147.1	150.9	-74.5	-164.3	177.5	173.5	0.3	109.4
401	P	35.2	Very low	37.8	Very low	129 Å²	129	133.6 Å²	133.6	84%	0.838	72%	0.716	S	S	*	*			trans	-68.4	138	-168.1	26.3	-34.6	0	0	0	112.8
402	S	30.9	Very low	38.5	Very low	110 Å²	110	130.2 Å²	130.2	77%	0.769	69%	0.692	S	S	*	*			trans	-79.2	123.3	179.1	-179.7	0	0	0	0	111.4	R404	S402-R404 PolarHBondContact O-N 2.82Å
403	L	39.7	Very low	38.9	Very low	173 Å²	173	126 Å²	126	91%	0.906	68%	0.675	S	S	*	*			trans	-74.2	108.8	165	-72.9	167.7	0	0	0	108.7
404	R	38.7	Very low	39.7	Very low	188 Å²	188	124.3 Å²	124.3	71%	0.709	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-74.2	146.6	165	-67	-179.2	177.2	178.5	-0.6	109.1	S402 R406	S402-R404 PolarHBondContact O-N 2.82Å; R404-R406 PolarHBondContact O-N 3.47Å
405	P	40.5	Very low	40.1	Very low	123 Å²	123	119.1 Å²	119.1	80%	0.799	65%	0.645	S	S	*	*	P	Polyproline II helix	trans	-59.9	128.5	167.6	-18.4	31.4	0	0	0	109.2
406	R	43.7	Very low	40.8	Very low	145 Å²	145	117.8 Å²	117.8	55%	0.547	63%	0.626	S	S	.	*	P	Polyproline II helix	trans	-68.9	143.8	172.7	-72.4	175	170.6	173.2	-10.7	110.3	N124 E126 R404 L408	N124-R406 CarbonylContact O-C 3.55Å; N124-R406 WeakPolarHBondContact O-CA 3.34Å; E126-R406 IonicContact OE1-CZ 3.71Å; E126-R406 IonicContact OE1-NH1 3.72Å; E126-R406 PolarHBondContact OE1-NH1 3.17Å; E126-R406 WeakPolarHBondContact OE2-CD 3.33Å; E126-R406 IonicContact OE2-CZ 2.72Å; E126-R406 IonicContact OE2-NE 3.59Å; E126-R406 IonicContact OE2-NH1 3.74Å; E126-R406 PolarHBondContact OE2-NH1 3.08Å; R404-R406 PolarHBondContact O-N 3.47Å; R406-L408 PolarHBondContact O-N 3.34Å
407	I	51.9	Low	41.9	Very low	104 Å²	104	115.2 Å²	115.2	53%	0.533	61%	0.606	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-82.6	102	171.4	-60.1	177.8	0	0	0	106.5	N124 E125 E126 L409	N124-I407 PolarHBondContact O-N 3.1Å; E125-I407 WeakPolarHBondContact CA-O 3.33Å; E126-I407 PolarHBondContact N-O 3.05Å; I407-L409 HydrophobicContact CG2-CD2 3.92Å; I407-L409 HydrophobicContact CG2-CG 4.48Å; I407-L409 PolarHBondContact O-N 2.98Å
408	L	46.2	Very low	43	Very low	106 Å²	106	112 Å²	112	56%	0.555	58%	0.578	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-71.5	110.5	176.3	-174.8	63.1	0	0	0	108.8	E126 E128 R406	E126-L408 HydrophobicContact CB-CD1 4.45Å; E128-L408 HydrophobicContact CG-CD1 3.71Å; E128-L408 HydrophobicContact CG-CD2 3.95Å; E128-L408 HydrophobicContact CG-CG 3.58Å; R406-L408 PolarHBondContact O-N 3.34Å
409	L	50.9	Low	43.5	Very low	64 Å²	64	110 Å²	110	34%	0.335	57%	0.569	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-92.7	117.4	-179.9	-67.3	-179	0	0	0	109.5	L121 E125 E126 E128 I407 A411	L121-L409 HydrophobicContact CD2-CD1 3.99Å; E125-L409 HydrophobicContact CB-CD1 3.99Å; E125-L409 HydrophobicContact CB-CG 4.45Å; E125-L409 HydrophobicContact CG-CD1 4.17Å; E126-L409 PolarHBondContact O-N 2.99Å; E128-L409 PolarHBondContact N-O 3.24Å; I407-L409 HydrophobicContact CG2-CD2 3.92Å; I407-L409 HydrophobicContact CG2-CG 4.48Å; I407-L409 PolarHBondContact O-N 2.98Å; L409-A411 PolarHBondContact O-N 2.94Å
410	K	42.7	Very low	43.7	Very low	137 Å²	137	111.5 Å²	111.5	60%	0.596	57%	0.569	S	S	*	*	P	Polyproline II helix	trans	-58.8	123.1	173	-166.3	153.5	-139.2	65.9	0	109.1	E128 P412	E128-K410 IonicContact OE1-NZ 3.64Å; E128-K410 PolarHBondContact OE1-NZ 3.35Å; E128-K410 IonicContact OE2-NZ 2.63Å; E128-K410 PolarHBondContact OE2-NZ 3.36Å; K410-P412 WeakPolarHBondContact O-CD 3.24Å
411	A	41.8	Very low	44.6	Very low	24 Å²	24	104.2 Å²	104.2	20%	0.198	55%	0.548	C	S	.	.	P	Polyproline II helix	trans	-58.8	125.9	176	0	0	0	0	0	109	E128 L409 T413	E128-A411 WeakPolarHBondContact O-CB 3.48Å; L409-A411 PolarHBondContact O-N 2.94Å; A411-T413 PolarHBondContact O-N 2.98Å; A411-T413 VanDerWaalsContact O-N 3.15Å
412	P	41.9	Very low	44.7	Very low	56 Å²	56	104.3 Å²	104.3	36%	0.364	54%	0.54	S	S	.	.	P	Polyproline II helix	trans	-57.3	123.8	167.9	-22.3	33.5	0	0	0	108.2	K410 E416 M417 M420	K410-P412 WeakPolarHBondContact O-CD 3.24Å; P412-E416 HydrophobicContact CB-CB 4.09Å; P412-M417 HydrophobicContact CB-CB 3.9Å; P412-M417 HydrophobicContact CB-CG 4.48Å; P412-M420 HydrophobicContact CG-CE 4.3Å
413	T	44.6	Very low	44.8	Very low	79 Å²	79	103.6 Å²	103.6	49%	0.485	54%	0.535	S	S	.	.	P	Polyproline II helix	trans	-57.2	163.6	158.3	58	0	0	0	0	109.2	A411 A415 E416 M417	A411-T413 PolarHBondContact O-N 2.98Å; A411-T413 VanDerWaalsContact O-N 3.15Å; T413-A415 PolarHBondContact O-N 3.05Å; T413-A415 VanDerWaalsContact O-N 3.09Å; T413-E416 VanDerWaalsContact CB-OE2 3.23Å; T413-E416 WeakPolarHBondContact CB-OE2 3.37Å; T413-E416 VanDerWaalsContact CG2-OE2 3.24Å; T413-E416 WeakPolarHBondContact CG2-OE2 3.36Å; T413-E416 PolarHBondContact N-OE2 2.87Å; T413-E416 PolarHBondContact O-N 2.96Å; T413-E416 WeakPolarHBondContact OG1-CG 3.35Å; T413-E416 PolarHBondContact OG1-N 2.66Å; T413-E416 PolarHBondContact OG1-OE2 3.19Å; T413-M417 PolarHBondContact O-N 3.18Å
414	L	46	Very low	44.9	Very low	117 Å²	117	105.1 Å²	105.1	61%	0.613	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.6	-41	174.2	-165.4	104	0	0	0	110.8	E418	L414-E418 VanDerWaalsContact CD2-OE1 3.28Å; L414-E418 WeakPolarHBondContact CD2-OE1 3.45Å; L414-E418 WeakPolarHBondContact CG-OE1 3.28Å; L414-E418 WeakPolarHBondContact O-CG 3.31Å; L414-E418 PolarHBondContact O-N 3.34Å
415	A	47.1	Very low	44.9	Very low	51 Å²	51	105.1 Å²	105.1	42%	0.421	55%	0.545	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-44	176.6	0	0	0	0	0	114.4	T413 M417 E418 E419	T413-A415 PolarHBondContact O-N 3.05Å; T413-A415 VanDerWaalsContact O-N 3.09Å; A415-M417 VanDerWaalsContact C-N 3.29Å; A415-M417 PolarHBondContact O-N 3.17Å; A415-E418 WeakPolarHBondContact O-CA 3.02Å; A415-E418 VanDerWaalsContact O-CB 3.31Å; A415-E418 WeakPolarHBondContact O-CB 3.08Å; A415-E418 PolarHBondContact O-N 2.95Å; A415-E419 PolarHBondContact O-N 3.29Å
416	E	48	Very low	44.9	Very low	87 Å²	87	108.8 Å²	108.8	41%	0.407	55%	0.552	S	S	.	*	H	α-helix	trans	-68.1	-30.2	-179.9	-71.9	155.3	132.4	0	0	112.2	P412 T413 E418 M420	P412-E416 HydrophobicContact CB-CB 4.09Å; T413-E416 VanDerWaalsContact CB-OE2 3.23Å; T413-E416 WeakPolarHBondContact CB-OE2 3.37Å; T413-E416 VanDerWaalsContact CG2-OE2 3.24Å; T413-E416 WeakPolarHBondContact CG2-OE2 3.36Å; T413-E416 PolarHBondContact N-OE2 2.87Å; T413-E416 PolarHBondContact O-N 2.96Å; T413-E416 WeakPolarHBondContact OG1-CG 3.35Å; T413-E416 PolarHBondContact OG1-N 2.66Å; T413-E416 PolarHBondContact OG1-OE2 3.19Å; E416-E418 PolarHBondContact O-N 3.36Å; E416-M420 PolarHBondContact O-N 2.93Å
417	M	55.4	Low	44.5	Very low	85 Å²	85	110 Å²	110	42%	0.419	56%	0.564	S	S	.	*	H	α-helix	trans	-70	-18.6	171.2	-155.6	170	-175.4	0	0	112.4	Q38 P412 T413 A415 N421	Q38-M417 VanDerWaalsContact OE1-CE 3.22Å; P412-M417 HydrophobicContact CB-CB 3.9Å; P412-M417 HydrophobicContact CB-CG 4.48Å; T413-M417 PolarHBondContact O-N 3.18Å; A415-M417 VanDerWaalsContact C-N 3.29Å; A415-M417 PolarHBondContact O-N 3.17Å; M417-N421 PolarHBondContact O-ND2 2.9Å
418	E	53.7	Low	43.4	Very low	46 Å²	46	110.9 Å²	110.9	22%	0.215	58%	0.579	C	S	.	*	H	α-helix	trans	-87.9	-38.5	176.4	-64.6	159.7	-176.8	0	0	111.7	K256 L414 A415 E416 M420 N421 I422	K256-E418 HydrophobicContact CD-CG 4.4Å; K256-E418 WeakPolarHBondContact CE-OE1 3.28Å; K256-E418 WeakPolarHBondContact CE-OE2 3.42Å; K256-E418 IonicContact NZ-OE1 3.93Å; K256-E418 PolarHBondContact NZ-OE1 3.24Å; K256-E418 VanDerWaalsContact NZ-OE1 3.16Å; K256-E418 IonicContact NZ-OE2 3.06Å; K256-E418 PolarHBondContact NZ-OE2 3.43Å; L414-E418 VanDerWaalsContact CD2-OE1 3.28Å; L414-E418 WeakPolarHBondContact CD2-OE1 3.45Å; L414-E418 WeakPolarHBondContact CG-OE1 3.28Å; L414-E418 WeakPolarHBondContact O-CG 3.31Å; L414-E418 PolarHBondContact O-N 3.34Å; A415-E418 WeakPolarHBondContact O-CA 3.02Å; A415-E418 VanDerWaalsContact O-CB 3.31Å; A415-E418 WeakPolarHBondContact O-CB 3.08Å; A415-E418 PolarHBondContact O-N 2.95Å; E416-E418 PolarHBondContact O-N 3.36Å; E418-M420 PolarHBondContact O-N 3.09Å; E418-N421 PolarHBondContact O-N 2.83Å; E418-I422 VanDerWaalsContact O-CG1 3.28Å; E418-I422 WeakPolarHBondContact O-CG1 3.15Å
419	E	45.4	Very low	43.2	Very low	139 Å²	139	111.4 Å²	111.4	65%	0.65	59%	0.589	S	S	*	*	H	α-helix	trans	-66.9	-34.2	179.4	-69	-172	173	0	0	112.9	A415 N421 I422	A415-E419 PolarHBondContact O-N 3.29Å; E419-N421 PolarHBondContact O-N 3.19Å; E419-I422 PolarHBondContact O-N 3.4Å
420	M	43.8	Very low	42.3	Very low	136 Å²	136	116 Å²	116	67%	0.67	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.8	-0.9	174.3	-65.8	-165.9	-63.6	0	0	114.8	P412 E416 E418	P412-M420 HydrophobicContact CG-CE 4.3Å; E416-M420 PolarHBondContact O-N 2.93Å; E418-M420 PolarHBondContact O-N 3.09Å
421	N	48.1	Very low	41.9	Very low	90 Å²	90	114.6 Å²	114.6	48%	0.481	62%	0.621	S	S	.	*	T	Hydrogen-bonded Turn	trans	-97.5	6.6	174.8	-81.6	-79.1	0	0	0	113.5	M417 E418 E419	M417-N421 PolarHBondContact O-ND2 2.9Å; E418-N421 PolarHBondContact O-N 2.83Å; E419-N421 PolarHBondContact O-N 3.19Å
422	I	38.2	Very low	41.5	Very low	131 Å²	131	116.4 Å²	116.4	67%	0.672	64%	0.643	S	S	*	*	S	Bend	trans	-126.9	4.2	-168.2	-16.4	173.1	0	0	0	114.9	E418 E419	E418-I422 VanDerWaalsContact O-CG1 3.28Å; E418-I422 WeakPolarHBondContact O-CG1 3.15Å; E419-I422 PolarHBondContact O-N 3.4Å
423	S	33.5	Very low	41	Very low	94 Å²	94	121.9 Å²	121.9	66%	0.657	67%	0.669	S	S	*	*			trans	-137.3	46.9	-158.4	70.1	0	0	0	0	116.9
424	E	39.9	Very low	40.3	Very low	205 Å²	205	125 Å²	125	96%	0.958	68%	0.68	S	S	*	*	S	Bend	trans	-130.4	6.6	169	-68.9	-162.1	129.7	0	0	115
425	E	39.2	Very low	39.6	Very low	188 Å²	188	130.6 Å²	130.6	88%	0.879	69%	0.693	S	S	*	*	S	Bend	trans	-120.4	8.9	-171.9	62.5	-175.7	84.7	0	0	117.3
426	E	40.6	Very low	38.8	Very low	200 Å²	200	139.2 Å²	139.2	94%	0.935	71%	0.714	S	S	*	*	S	Bend	trans	-125.1	50.7	172.3	-93.8	-130.9	119	0	0	114.5
427	E	34.9	Very low	37.8	Very low	171 Å²	171	140.1 Å²	140.1	80%	0.799	73%	0.726	S	S	*	*			trans	-154.3	120.1	137.8	-159.6	156.9	-170.3	0	0	111.9
428	S	30.2	Very low	36.5	Very low	123 Å²	123	144.6 Å²	144.6	86%	0.86	75%	0.746	S	S	*	*			trans	-156.3	98.4	173.6	-81.9	0	0	0	0	112.2
429	P	40.8	Very low	35.2	Very low	117 Å²	117	147.7 Å²	147.7	76%	0.76	77%	0.772	S	S	*	*			trans	-87.3	133.5	162.6	8.5	10	0	0	0	110.5
430	D	32.4	Very low	34.3	Very low	159 Å²	159	146.6 Å²	146.6	85%	0.85	78%	0.78	S	S	*	*			trans	-78	155.7	178.6	179.4	37.4	0	0	0	113.3
431	S	34.1	Very low	33.9	Very low	108 Å²	108	146.7 Å²	146.7	76%	0.755	79%	0.791	S	S	*	*			trans	75.3	123.6	160	-160.6	0	0	0	0	120.4
432	G	33.5	Very low	32.8	Very low	63 Å²	63	147 Å²	147	65%	0.649	81%	0.806	S	S	*	*				109.9	83.8	113.7	0	0	0	0	0	120.2
433	D	31.8	Very low	32.9	Very low	170 Å²	170	146.5 Å²	146.5	91%	0.909	81%	0.811	S	S	*	*			trans	72	158.2	143.6	-95.5	-38.5	0	0	0	123.4
434	M	30.4	Very low	32.6	Very low	145 Å²	145	150.3 Å²	150.3	71%	0.714	82%	0.824	S	S	*	*			trans	-84.1	138	-166.1	-57	167.1	0.4	0	0	114.9
435	R	30.5	Very low	31.9	Very low	234 Å²	234	149 Å²	149	88%	0.883	82%	0.815	S	S	*	*				175.2	161.8	99.6	-92.2	-165.4	-170.9	-137.8	2.8	115.4
436	R	31	Very low	31.3	Very low	232 Å²	232	149.7 Å²	149.7	88%	0.875	81%	0.809	S	S	*	*			trans	-62.7	149	-176.9	-169.8	-164.3	-76.1	170	-8.2	115.1
437	T	26.1	Very low	30.8	Very low	107 Å²	107	146 Å²	146	66%	0.656	80%	0.796	S	S	*	*			trans	132.7	106.3	135.6	-60.2	0	0	0	0	116.5
438	E	27.8	Very low	30.4	Very low	179 Å²	179	148.4 Å²	148.4	84%	0.836	80%	0.797	S	S	*	*			trans	57.7	145.5	143.4	-62.6	-177.3	153.6	0	0	125.7
439	S	27.8	Very low	30.4	Very low	110 Å²	110	147.8 Å²	147.8	77%	0.769	79%	0.793	S	S	*	*			trans	94.9	108.6	147.7	74.2	0	0	0	0	121.7
440	S	26.1	Very low	29.7	Very low	116 Å²	116	150.9 Å²	150.9	81%	0.811	80%	0.795	S	S	*	*			trans	46.8	120.2	133.4	-54.2	0	0	0	0	122.1
441	P	34.7	Very low	30	Very low	138 Å²	138	147.1 Å²	147.1	90%	0.896	78%	0.782	S	S	*	*			trans	-87	139.4	172	34.6	-33.3	0	0	0	113.8
442	A	25.2	Very low	29.9	Very low	98 Å²	98	150.4 Å²	150.4	81%	0.81	79%	0.785	S	S	*	*			trans	-146.1	149.7	163.7	0	0	0	0	0	111
443	P	41.3	Very low	30	Very low	119 Å²	119	154.2 Å²	154.2	77%	0.773	79%	0.786	S	S	*	*			trans	-113	142.4	-155.1	38.4	-29.7	0	0	0	115.6
444	L	26.1	Very low	30.1	Very low	175 Å²	175	152.6 Å²	152.6	92%	0.916	78%	0.777	S	S	*	*			trans	-138.9	174.4	165.1	-83.3	-175.7	0	0	0	113.3
445	K	26.5	Very low	30.6	Very low	178 Å²	178	151.7 Å²	151.7	77%	0.774	77%	0.774	S	S	*	*			trans	-118.4	165.2	-153.1	-54.9	166.9	175	163.7	0	113.9
446	R	25.8	Very low	30.9	Very low	202 Å²	202	144.1 Å²	144.1	76%	0.762	76%	0.762	S	S	*	*			trans	90.4	124.7	142.8	-83.7	-164	151.6	95.5	5.7	121.7
447	D	29.1	Very low	31.1	Very low	121 Å²	121	142.4 Å²	142.4	65%	0.647	76%	0.761	S	S	*	*				51.8	115	127.1	-50.6	-22.4	0	0	0	120.3
448	R	28.3	Very low	31.5	Very low	222 Å²	222	144.9 Å²	144.9	84%	0.838	77%	0.77	S	S	*	*				-147.4	115.4	125	-126.5	175.3	-173.6	83.9	-1.7	112.6
449	S	29.6	Very low	32	Very low	111 Å²	111	146.9 Å²	146.9	78%	0.776	77%	0.77	S	S	*	*			trans	-85.2	155.6	164.1	47.2	0	0	0	0	110.6
450	F	25.5	Very low	32.4	Very low	181 Å²	181	145 Å²	145	79%	0.794	77%	0.767	S	S	*	*			trans	-129.3	155.9	162.2	-87	-85.1	0	0	0	109.2
451	S	38.3	Very low	32.7	Very low	81 Å²	81	146.3 Å²	146.3	57%	0.566	77%	0.765	S	S	*	*			trans	-114.1	168	-150.8	52.9	0	0	0	0	115.5	Q453	S451-Q453 PolarHBondContact O-N 2.9Å
452	E	32.3	Very low	32.4	Very low	177 Å²	177	147.1 Å²	147.1	83%	0.827	76%	0.759	S	S	*	*	G	3₁₀ helix	trans	-60.3	-13.1	-172.6	-92.6	176.8	103.9	0	0	116.9	D454 L455	E452-D454 VanDerWaalsContact C-N 3.31Å; E452-D454 PolarHBondContact O-N 2.92Å; E452-L455 PolarHBondContact O-N 2.79Å
453	Q	35.9	Very low	32.7	Very low	142 Å²	142	150.1 Å²	150.1	66%	0.664	76%	0.761	S	S	*	*	G	3₁₀ helix	trans	-57.8	-35.9	-174.7	-93.3	66.1	32.9	0	0	114.4	S451 L455 A456	S451-Q453 PolarHBondContact O-N 2.9Å; Q453-L455 PolarHBondContact O-N 2.83Å; Q453-L455 VanDerWaalsContact O-N 3.14Å; Q453-A456 WeakPolarHBondContact O-CB 3.37Å; Q453-A456 PolarHBondContact O-N 2.94Å
454	D	34.9	Very low	32.3	Very low	137 Å²	137	149.7 Å²	149.7	73%	0.733	76%	0.758	S	S	*	*	G	3₁₀ helix	trans	-68.9	-15.2	-172.5	-69.1	-20.4	0	0	0	113.9	E452	E452-D454 VanDerWaalsContact C-N 3.31Å; E452-D454 PolarHBondContact O-N 2.92Å
455	L	39.7	Very low	32.4	Very low	125 Å²	125	146.2 Å²	146.2	65%	0.654	75%	0.748	S	S	*	*	G	3₁₀ helix	trans	-86.4	-5	177.6	-70.8	175.4	0	0	0	114.2	E452 Q453	E452-L455 PolarHBondContact O-N 2.79Å; Q453-L455 PolarHBondContact O-N 2.83Å; Q453-L455 VanDerWaalsContact O-N 3.14Å
456	A	37	Very low	32.5	Very low	76 Å²	76	144.8 Å²	144.8	63%	0.628	75%	0.748	S	S	*	*	G	3₁₀ helix	trans	-71.2	-33.5	179.9	0	0	0	0	0	113.1	Q453 L458	Q453-A456 WeakPolarHBondContact O-CB 3.37Å; Q453-A456 PolarHBondContact O-N 2.94Å; A456-L458 PolarHBondContact O-N 2.61Å; A456-L458 VanDerWaalsContact O-N 3.16Å
457	F	35.8	Very low	32.6	Very low	196 Å²	196	141 Å²	141	86%	0.86	75%	0.753	S	S	*	*	G	3₁₀ helix	trans	-76.3	-2.5	-168.2	-143.6	-92.1	0	0	0	115.1
458	L	34.9	Very low	32.5	Very low	158 Å²	158	143.4 Å²	143.4	83%	0.827	76%	0.76	S	S	*	*	G	3₁₀ helix	trans	-111.4	7.1	-176.7	-67.2	177.8	0	0	0	114.6	A456	A456-L458 PolarHBondContact O-N 2.61Å; A456-L458 VanDerWaalsContact O-N 3.16Å
459	R	37	Very low	32.3	Very low	222 Å²	222	137.4 Å²	137.4	84%	0.838	75%	0.752	S	S	*	*	S	Bend	trans	-117	-2.6	-177.2	-139.5	-177	-61.9	-157	4.2	115.3
460	G	37.3	Very low	32.2	Very low	70 Å²	70	136.8 Å²	136.8	72%	0.722	75%	0.753	S	S	*	*			trans	-106.6	75.2	175.8	0	0	0	0	0	112.3
461	D	31.4	Very low	32.4	Very low	143 Å²	143	136.6 Å²	136.6	77%	0.765	76%	0.755	S	S	*	*			trans	-165.6	153.5	150.5	-124.5	-22.4	0	0	0	113.9
462	M	27.7	Very low	31.7	Very low	156 Å²	156	139.6 Å²	139.6	77%	0.768	76%	0.764	S	S	*	*			trans	63.5	80.3	168.3	-62.2	-66.2	143.1	0	0	119
463	L	31.9	Very low	31.4	Very low	161 Å²	161	137.8 Å²	137.8	84%	0.843	76%	0.755	S	S	*	*			trans	-120.5	136.9	135	-128.2	177.1	0	0	0	107.8
464	P	33.3	Very low	30.9	Very low	110 Å²	110	139 Å²	139	71%	0.714	76%	0.761	S	S	*	*			trans	-125.8	153.8	135.6	0.5	20.7	0	0	0	113.6
465	S	28.2	Very low	30.3	Very low	102 Å²	102	135.7 Å²	135.7	71%	0.713	76%	0.76	S	S	*	*			trans	-78	-178.2	167.3	50.5	0	0	0	0	110.9
466	L	28.3	Very low	29.5	Very low	148 Å²	148	136.9 Å²	136.9	78%	0.775	77%	0.772	S	S	*	*			cis	-136.1	173.6	15.2	-80.6	164.6	0	0	0	111.3
467	S	28.3	Very low	29	Very low	122 Å²	122	139.1 Å²	139.1	85%	0.853	78%	0.777	S	S	*	*			trans	-129	126.7	161.5	-66.1	0	0	0	0	109.7
468	E	26.3	Very low	28.4	Very low	172 Å²	172	138.7 Å²	138.7	80%	0.804	78%	0.778	S	S	*	*			trans	-152.5	147.6	175.4	-110.4	-159	100	0	0	108.2
469	S	25.8	Very low	28	Very low	95 Å²	95	139.2 Å²	139.2	66%	0.664	78%	0.777	S	S	*	*			cis	-141.1	166.2	-1.8	-38.4	0	0	0	0	109.3
470	A	27.3	Very low	27.6	Very low	98 Å²	98	134.3 Å²	134.3	81%	0.81	77%	0.773	S	S	*	*			trans	-146.1	122.4	167.1	0	0	0	0	0	110.6
471	Q	27.9	Very low	26.9	Very low	178 Å²	178	139 Å²	139	83%	0.832	78%	0.776	S	S	*	*			trans	-145.2	140.1	171.1	-74.6	-165.4	-21.2	0	0	110.6
472	L	25.7	Very low	26.6	Very low	143 Å²	143	136.2 Å²	136.2	75%	0.749	77%	0.774	S	S	*	*			trans	32.2	144	134.5	-71.4	72	0	0	0	119.5
473	E	24.3	Very low	26.5	Very low	139 Å²	139	141 Å²	141	65%	0.65	78%	0.783	S	S	*	*			cis	-161.2	172.8	9.1	-131.3	-174.6	127.7	0	0	113.4
474	Q	25.7	Very low	26.2	Very low	167 Å²	167	143.3 Å²	143.3	78%	0.78	79%	0.786	S	S	*	*			trans	54	135.5	151.6	-66.7	170.5	26.5	0	0	121.8
475	G	23.1	Very low	25.8	Very low	69 Å²	69	141.8 Å²	141.8	71%	0.711	79%	0.791	S	S	*	*				135.7	101.1	125.2	0	0	0	0	0	120.6
476	V	23.3	Very low	25.7	Very low	150 Å²	150	143 Å²	143	91%	0.909	80%	0.799	S	S	*	*			trans	75.3	146.3	137.5	-173.7	0	0	0	0	120.2
477	V	25.1	Very low	25.6	Very low	122 Å²	122	141.7 Å²	141.7	74%	0.739	80%	0.803	S	S	*	*			trans	-88.5	143.7	-176.5	176.1	0	0	0	0	111.6
478	Q	24.9	Very low	25.5	Very low	187 Å²	187	142 Å²	142	87%	0.874	81%	0.805	S	S	*	*				-177.7	150.1	129.7	-101.8	166.4	41.8	0	0	115.7
479	Q	24.6	Very low	25.5	Very low	170 Å²	170	136.3 Å²	136.3	79%	0.794	79%	0.792	S	S	*	*			trans	-97.8	149.1	159.4	-144	-179.4	21.9	0	0	107.4
480	P	29.8	Very low	25.4	Very low	118 Å²	118	140.9 Å²	140.9	77%	0.766	80%	0.8	S	S	*	*				-136	158.7	94.9	16.7	5.4	0	0	0	111.8
481	E	22.4	Very low	25.3	Very low	168 Å²	168	143.4 Å²	143.4	79%	0.785	80%	0.799	S	S	*	*			cis	95.5	113.8	37.7	-150.3	-164.9	-175.7	0	0	114.8
482	A	25.7	Very low	25.1	Very low	86 Å²	86	141 Å²	141	71%	0.711	80%	0.796	S	S	*	*			trans	36.5	135.3	154.5	0	0	0	0	0	123.2
483	R	25	Very low	25.1	Very low	255 Å²	255	138.8 Å²	138.8	96%	0.962	79%	0.793	S	S	*	*				-150.2	158.3	125.2	-113.2	164.9	-164.5	-170.6	3.5	113.1
484	K	26.2	Very low	25.3	Very low	210 Å²	210	137.9 Å²	137.9	91%	0.913	80%	0.802	S	S	*	*			trans	-94.8	154.7	-169.6	-61.1	174.1	179.7	175.4	0	112.3
485	G	24.8	Very low	25.3	Very low	79 Å²	79	132.9 Å²	132.9	81%	0.814	80%	0.795	S	S	*	*			trans	-141.2	141.6	156.8	0	0	0	0	0	108.8
486	S	25.4	Very low	25.5	Very low	127 Å²	127	134.8 Å²	134.8	89%	0.888	80%	0.798	S	S	*	*			trans	-152.9	142.8	-172.7	-177.6	0	0	0	0	112
487	S	26.2	Very low	25.7	Very low	121 Å²	121	137.1 Å²	137.1	85%	0.846	80%	0.798	S	S	*	*			trans	-151.7	156	162.7	53.3	0	0	0	0	110.9
488	S	26.6	Very low	25.7	Very low	129 Å²	129	134.6 Å²	134.6	90%	0.902	80%	0.797	S	S	*	*			trans	-135.7	160.8	-179	-169.6	0	0	0	0	106.8
489	G	25	Very low	25.6	Very low	51 Å²	51	135.6 Å²	135.6	53%	0.526	80%	0.799	S	S	.	*			cis	-178.7	-129.6	9.2	0	0	0	0	0	111.6
490	F	24.9	Very low	25.6	Very low	192 Å²	192	132.2 Å²	132.2	84%	0.842	79%	0.793	S	S	*	*			trans	75.1	124.4	-167.4	-63	-91.2	0	0	0	113.5
491	L	24.7	Very low	25.3	Very low	150 Å²	150	136 Å²	136	79%	0.785	80%	0.798	S	S	*	*			cis	73.5	137.6	41.4	-55	171.4	0	0	0	111.7
492	V	24.1	Very low	25.3	Very low	127 Å²	127	133.2 Å²	133.2	77%	0.77	79%	0.792	S	S	*	*			cis	-167.1	155.6	5.5	111	0	0	0	0	107.6
493	S	26.6	Very low	25.1	Very low	97 Å²	97	135.6 Å²	135.6	68%	0.678	79%	0.793	S	S	*	*			cis	-165.8	175.6	-11.7	-155	0	0	0	0	111.1
494	S	27.5	Very low	25	Very low	121 Å²	121	128 Å²	128	85%	0.846	78%	0.775	S	S	*	*			trans	67.9	147.5	158.9	-57.9	0	0	0	0	119.4
495	G	25.2	Very low	24.9	Very low	61 Å²	61	127 Å²	127	63%	0.629	77%	0.771	S	S	*	*			cis	-144.7	147.4	-0.9	0	0	0	0	0	111.4
496	S	27.7	Very low	24.8	Very low	110 Å²	110	129.6 Å²	129.6	77%	0.769	77%	0.765	S	S	*	*				70.2	127.2	77.6	70.7	0	0	0	0	113.5
497	Q	28.2	Very low	24.7	Very low	198 Å²	198	129.7 Å²	129.7	93%	0.925	75%	0.752	S	S	*	*			cis	-156.4	169.7	-0.5	-98.3	161.6	14.1	0	0	106.8
498	G	24.5	Very low	24.5	Very low	69 Å²	69	133.5 Å²	133.5	71%	0.711	75%	0.748	S	S	*	*			cis	-170.3	176.8	3.4	0	0	0	0	0	110.6
499	F	23.1	Very low	24.3	Very low	209 Å²	209	134.7 Å²	134.7	92%	0.917	74%	0.737	S	S	*	*			trans	-96.9	160	-167	-93.8	-103.1	0	0	0	116.4
500	C	24.6	Very low	24.3	Very low	98 Å²	98	138.8 Å²	138.8	66%	0.662	74%	0.742	S	S	*	*			trans	-41.7	156.2	163.9	-40.7	0	0	0	0	117.3
501	F	22.1	Very low	24.1	Very low	198 Å²	198	135 Å²	135	87%	0.868	73%	0.731	S	S	*	*			trans	-160.7	136.9	132.6	-94.4	-81.7	0	0	0	106.1
502	V	22.9	Very low	23.9	Very low	110 Å²	110	135.8 Å²	135.8	67%	0.667	73%	0.73	S	S	*	*			cis	81.4	138.5	34.2	176.5	0	0	0	0	113.9
503	N	22.3	Very low	23.8	Very low	135 Å²	135	135.9 Å²	135.9	72%	0.722	74%	0.735	S	S	*	*			trans	78.9	145	172.5	-79.8	-9.8	0	0	0	118.8
504	T	22.5	Very low	23.6	Very low	96 Å²	96	138.5 Å²	138.5	59%	0.589	74%	0.741	S	S	*	*			cis	-171.8	168.9	-26.1	16.2	0	0	0	0	110.8
505	K	23.8	Very low	23.6	Very low	190 Å²	190	138.2 Å²	138.2	83%	0.826	74%	0.736	S	S	*	*			trans	73.7	155.3	151.7	-73.2	153	-178.4	178.8	0	118
506	N	22.8	Very low	23.5	Very low	132 Å²	132	143.5 Å²	143.5	71%	0.706	74%	0.744	S	S	*	*			cis	-170.7	176.3	-27.2	-166.8	21.5	0	0	0	109.9
507	E	23	Very low	23.2	Very low	129 Å²	129	145.9 Å²	145.9	60%	0.603	75%	0.745	S	S	*	*			trans	79.6	117.1	162.5	-53.9	-145.8	92.1	0	0	115.7
508	R	22.7	Very low	23	Very low	201 Å²	201	142.1 Å²	142.1	76%	0.758	74%	0.741	S	S	*	*				77.4	140.8	72.5	-72.4	163	161.3	-176.4	-4.4	112
509	K	23	Very low	23	Very low	154 Å²	154	144.9 Å²	144.9	67%	0.67	74%	0.743	S	S	*	*			cis	-169.9	159.3	5.2	-127.2	173.2	147.2	-140.3	0	110.6
510	Q	23.3	Very low	23	Very low	138 Å²	138	141.4 Å²	141.4	65%	0.645	74%	0.74	S	S	*	*			trans	66.2	158.3	154.2	-63.3	171.9	-105.5	0	0	116.5
511	N	21.9	Very low	23	Very low	112 Å²	112	144.2 Å²	144.2	60%	0.599	75%	0.748	S	S	*	*			cis	-156.6	159.5	-17.6	-115.5	20.8	0	0	0	111.4
512	E	21.1	Very low	23	Very low	166 Å²	166	138.1 Å²	138.1	78%	0.776	74%	0.741	S	S	*	*			trans	61.9	129.3	141.9	-68.2	168	120.5	0	0	125
513	C	21.1	Very low	23.2	Very low	129 Å²	129	141.8 Å²	141.8	87%	0.872	75%	0.751	S	S	*	*			trans	90.4	134.2	138	-136.1	0	0	0	0	123.2
514	L	21.8	Very low	23.3	Very low	153 Å²	153	140.8 Å²	140.8	80%	0.801	76%	0.755	S	S	*	*			trans	-81.8	146	164.9	-78.1	151.9	0	0	0	110.3
515	P	29	Very low	23.4	Very low	114 Å²	114	143.4 Å²	143.4	74%	0.74	77%	0.765	S	S	*	*				-134.9	173.3	99.4	13.4	9.1	0	0	0	112.5
516	Q	21.6	Very low	23.7	Very low	172 Å²	172	138.6 Å²	138.6	80%	0.804	76%	0.761	S	S	*	*			cis	-163.2	176.3	-19.6	174.2	163.3	-13.3	0	0	108.3
517	M	22.2	Very low	23.9	Very low	161 Å²	161	141.1 Å²	141.1	79%	0.793	77%	0.768	S	S	*	*			trans	-41.4	141	177.3	-63.9	165.4	56.6	0	0	117.8
518	S	22.8	Very low	24.2	Very low	119 Å²	119	139.5 Å²	139.5	83%	0.832	78%	0.777	S	S	*	*				-148.9	157.1	129.9	62.7	0	0	0	0	110
519	V	26.2	Very low	24.4	Very low	126 Å²	126	136.7 Å²	136.7	76%	0.764	77%	0.773	S	S	*	*			trans	-128.1	125.6	-177.1	175.5	0	0	0	0	109.4
520	T	23.3	Very low	24.8	Very low	136 Å²	136	134.4 Å²	134.4	83%	0.834	77%	0.773	S	S	*	*			trans	-170.7	160.9	153.3	28.9	0	0	0	0	110.8
521	D	23.8	Very low	25.3	Very low	158 Å²	158	132.5 Å²	132.5	85%	0.845	76%	0.764	S	S	*	*			trans	-76.4	150.8	-160.4	-53.8	-87.3	0	0	0	117.9
522	G	22.7	Very low	25.9	Very low	69 Å²	69	135 Å²	135	71%	0.711	77%	0.772	S	S	*	*				73.4	110.4	120.8	0	0	0	0	0	120.9
523	Q	25.8	Very low	26.3	Very low	187 Å²	187	134.3 Å²	134.3	87%	0.874	77%	0.773	S	S	*	*				164.7	131.1	106.1	-88.4	-177.8	26.3	0	0	113.1
524	S	25.2	Very low	26.9	Very low	115 Å²	115	133.7 Å²	133.7	80%	0.804	75%	0.753	S	S	*	*			trans	63.3	161.8	165.9	80.5	0	0	0	0	116.3
525	N	24.5	Very low	27.2	Very low	150 Å²	150	132.8 Å²	132.8	80%	0.802	74%	0.742	S	S	*	*			cis	-142.7	179.1	10.3	-153.5	-12	0	0	0	111.8
526	A	30	Very low	27.3	Very low	90 Å²	90	134.5 Å²	134.5	74%	0.744	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-54.8	138.2	-166.2	0	0	0	0	0	116.9
527	Q	26.9	Very low	27.7	Very low	184 Å²	184	134.3 Å²	134.3	86%	0.86	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-98.9	144.1	153.7	-78.6	-91.3	-71.8	0	0	108.7
528	A	28.3	Very low	28.2	Very low	96 Å²	96	134.7 Å²	134.7	79%	0.793	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-85.6	132.6	174.2	0	0	0	0	0	110.6
529	E	28.3	Very low	28.7	Very low	142 Å²	142	131.6 Å²	131.6	66%	0.664	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-62.2	126.2	-176.7	-79.1	-68.7	115.3	0	0	113	H531	E529-H531 HydrophobicContact CB-CB 4.25Å; E529-H531 PolarHBondContact O-N 2.75Å; E529-H531 IonicContact OE2-CD2 2.75Å; E529-H531 PolarHBondContact OE2-CD2 2.97Å; E529-H531 IonicContact OE2-CG 3.4Å; E529-H531 IonicContact OE2-NE2 3.18Å
530	P	31.8	Very low	29.4	Very low	105 Å²	105	131.7 Å²	131.7	68%	0.682	71%	0.708	S	S	*	*			trans	-76.2	21.1	175.8	33.4	-36.2	0	0	0	113.1	H532	P530-H532 VanDerWaalsContact C-N 3.26Å; P530-H532 PolarHBondContact O-N 2.88Å; P530-H532 VanDerWaalsContact O-N 3.12Å
531	H	32	Very low	30.3	Very low	98 Å²	98	129.1 Å²	129.1	45%	0.454	69%	0.693	S	S	.	*	T	Hydrogen-bonded Turn	trans	-75.6	-2.5	-162.2	-116.7	-97.4	0	0	0	116.1	E529 Y534	E529-H531 HydrophobicContact CB-CB 4.25Å; E529-H531 PolarHBondContact O-N 2.75Å; E529-H531 IonicContact OE2-CD2 2.75Å; E529-H531 PolarHBondContact OE2-CD2 2.97Å; E529-H531 IonicContact OE2-CG 3.4Å; E529-H531 IonicContact OE2-NE2 3.18Å; H531-Y534 HydrophobicContact CB-CE1 4.32Å; H531-Y534 AromaticContact CE1-CE1 3.89Å; H531-Y534 AromaticContact CE1-CZ 3.92Å; H531-Y534 PolarHBondContact CE1-OH 3.49Å; H531-Y534 AromaticContact CG-CE1 3.86Å; H531-Y534 AromaticContact ND1-CE1 3.59Å; H531-Y534 AromaticContact ND1-CZ 3.75Å; H531-Y534 PolarHBondContact ND1-OH 2.76Å; H531-Y534 WeakPolarHBondContact O-CE1 3.45Å
532	H	34.8	Very low	31.5	Very low	166 Å²	166	123.3 Å²	123.3	77%	0.769	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.8	-31	-177.1	-81.5	-97.9	0	0	0	114	P530	P530-H532 VanDerWaalsContact C-N 3.26Å; P530-H532 PolarHBondContact O-N 2.88Å; P530-H532 VanDerWaalsContact O-N 3.12Å
533	L	29.7	Very low	32.7	Very low	151 Å²	151	126.8 Å²	126.8	79%	0.791	66%	0.661	S	S	*	*	G	3₁₀ helix	trans	-73.1	-35.1	-169.7	-159.6	73.3	0	0	0	113.2	K535	L533-K535 VanDerWaalsContact C-N 3.26Å; L533-K535 PolarHBondContact O-N 2.62Å
534	Y	33.3	Very low	33.9	Very low	115 Å²	115	122.6 Å²	122.6	45%	0.451	65%	0.652	S	S	.	*	G	3₁₀ helix	trans	-76	-10.6	-175.3	75.4	-102.1	0	0	0	114.1	H531	H531-Y534 HydrophobicContact CB-CE1 4.32Å; H531-Y534 AromaticContact CE1-CE1 3.89Å; H531-Y534 AromaticContact CE1-CZ 3.92Å; H531-Y534 PolarHBondContact CE1-OH 3.49Å; H531-Y534 AromaticContact CG-CE1 3.86Å; H531-Y534 AromaticContact ND1-CE1 3.59Å; H531-Y534 AromaticContact ND1-CZ 3.75Å; H531-Y534 PolarHBondContact ND1-OH 2.76Å; H531-Y534 WeakPolarHBondContact O-CE1 3.45Å
535	K	28.4	Very low	35.3	Very low	134 Å²	134	123 Å²	123	58%	0.583	65%	0.645	S	S	*	*	G	3₁₀ helix	trans	-77.3	-26.7	-173.9	-109.5	-177.7	177.1	179.2	0	113.7	L533	L533-K535 VanDerWaalsContact C-N 3.26Å; L533-K535 PolarHBondContact O-N 2.62Å
536	E	31.5	Very low	37.5	Very low	150 Å²	150	116.8 Å²	116.8	70%	0.701	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77	-33	-179.2	-69.1	-173.9	121.5	0	0	112.4	F538 S539	E536-F538 PolarHBondContact O-N 3.48Å; E536-S539 WeakPolarHBondContact CA-OG 3.33Å; E536-S539 WeakPolarHBondContact O-CB 3.22Å; E536-S539 PolarHBondContact O-N 3.14Å; E536-S539 PolarHBondContact O-OG 2.97Å
537	E	31.1	Very low	40.1	Very low	169 Å²	169	116.6 Å²	116.6	79%	0.79	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.4	-24.2	-176.2	-162.7	168.6	-156.9	0	0	113.5
538	F	32.6	Very low	43.1	Very low	169 Å²	169	108.4 Å²	108.4	74%	0.741	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.9	16.2	175.4	-72.6	-84	0	0	0	114.2	E536 H540	E536-F538 PolarHBondContact O-N 3.48Å; F538-H540 VanDerWaalsContact C-N 3.26Å; F538-H540 PolarHBondContact O-N 3.03Å
539	S	33.2	Very low	46	Very low	54 Å²	54	104.3 Å²	104.3	38%	0.378	53%	0.528	S	S	.	.	S	Bend	trans	-68.6	-17.7	-176	-60.7	0	0	0	0	115.1	E536 P541	E536-S539 WeakPolarHBondContact CA-OG 3.33Å; E536-S539 WeakPolarHBondContact O-CB 3.22Å; E536-S539 PolarHBondContact O-N 3.14Å; E536-S539 PolarHBondContact O-OG 2.97Å; S539-P541 WeakPolarHBondContact O-CD 3.41Å
540	H	40.4	Very low	48.9	Very low	128 Å²	128	102.1 Å²	102.1	59%	0.593	52%	0.521	S	S	*	.			trans	-124.6	55	-168.5	-56.9	-53.8	0	0	0	115	F538 V542 E543	F538-H540 VanDerWaalsContact C-N 3.26Å; F538-H540 PolarHBondContact O-N 3.03Å; H540-V542 PolarHBondContact O-N 3.26Å; H540-E543 HydrophobicContact CB-CG 4.38Å; H540-E543 PolarHBondContact O-N 3.35Å
541	P	42.7	Very low	51.7	Low	82 Å²	82	101.6 Å²	101.6	53%	0.532	51%	0.509	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-8.6	173.8	30.8	-37.2	0	0	0	113.6	S539 S544	S539-P541 WeakPolarHBondContact O-CD 3.41Å; P541-S544 PolarHBondContact O-OG 3.36Å
542	V	47.8	Very low	54.5	Low	36 Å²	36	97.2 Å²	97.2	22%	0.218	49%	0.489	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-39.5	176.4	173.6	0	0	0	0	112.1	H540 L545 L699	H540-V542 PolarHBondContact O-N 3.26Å; V542-L545 PolarHBondContact O-N 3.2Å; V542-L699 HydrophobicContact CG1-CD1 3.29Å
543	E	48.8	Very low	57.2	Low	141 Å²	141	89.5 Å²	89.5	66%	0.659	45%	0.453	S	S	*	.	G	3₁₀ helix	trans	-72.6	-32.9	-173.6	-61.1	-167.3	145.1	0	0	111.7	H540 L545 A546	H540-E543 HydrophobicContact CB-CG 4.38Å; H540-E543 PolarHBondContact O-N 3.35Å; E543-L545 PolarHBondContact O-N 3.11Å; E543-L545 VanDerWaalsContact O-N 3.17Å; E543-A546 PolarHBondContact O-N 2.92Å
544	S	50	Low	60.1	Low	99 Å²	99	86 Å²	86	69%	0.692	44%	0.436	S	S	*	.	G	3₁₀ helix	trans	-67.2	-7	174.9	39.7	0	0	0	0	115.5	P541	P541-S544 PolarHBondContact O-OG 3.36Å
545	L	55.9	Low	62.9	Low	124 Å²	124	84.3 Å²	84.3	65%	0.649	44%	0.437	S	S	*	.	G	3₁₀ helix	trans	-113.3	0.1	-179.7	-64.4	174.7	0	0	0	113.3	V542 E543 L547 L702	V542-L545 PolarHBondContact O-N 3.2Å; E543-L545 PolarHBondContact O-N 3.11Å; E543-L545 VanDerWaalsContact O-N 3.17Å; L545-L547 PolarHBondContact O-N 2.77Å; L545-L702 HydrophobicContact CD1-CD1 3.9Å
546	A	70.9	Confident	66	Low	19 Å²	19	78.7 Å²	78.7	16%	0.157	41%	0.412	C	S	.	.			trans	-93.3	102.3	-171.5	0	0	0	0	0	112.7	E543 T548 P625 Y627	E543-A546 PolarHBondContact O-N 2.92Å; A546-T548 PolarHBondContact O-N 2.68Å; A546-P625 HydrophobicContact CB-CB 4.16Å; A546-Y627 HydrophobicContact CB-CD1 4.34Å; A546-Y627 HydrophobicContact CB-CE1 3.76Å
547	L	84.1	Confident	68.8	Low	86 Å²	86	76.9 Å²	76.9	45%	0.45	40%	0.399	S	S	.	.			trans	-49	128.8	173.7	-73.1	176.2	0	0	0	111.9	L545 I552 V626	L545-L547 PolarHBondContact O-N 2.77Å; L547-I552 HydrophobicContact CB-CG2 4.25Å; L547-V626 HydrophobicContact CB-CG1 4.12Å; L547-V626 WeakPolarHBondContact O-CB 3.5Å; L547-V626 VanDerWaalsContact O-CG1 3.23Å; L547-V626 WeakPolarHBondContact O-CG1 3.2Å; L547-V626 PolarHBondContact O-N 3.2Å
548	T	88.8	Confident	71.7	Confident	13 Å²	13	73.8 Å²	73.8	8%	0.08	39%	0.391	C	S	.	.	B	Isolated β-bridge	trans	-89.3	159	-177.7	69.6	0	0	0	0	112.2	A546 D550 E551 I552 H623 I624	A546-T548 PolarHBondContact O-N 2.68Å; T548-D550 VanDerWaalsContact C-N 3.26Å; T548-D550 PolarHBondContact O-N 2.77Å; T548-E551 VanDerWaalsContact CB-OE2 3.26Å; T548-E551 WeakPolarHBondContact CB-OE2 3.46Å; T548-E551 VanDerWaalsContact CG2-OE2 3.3Å; T548-E551 WeakPolarHBondContact CG2-OE2 3.46Å; T548-E551 PolarHBondContact N-OE2 2.85Å; T548-E551 PolarHBondContact O-N 3.16Å; T548-E551 VanDerWaalsContact OG1-CD 3.27Å; T548-E551 WeakPolarHBondContact OG1-CG 3.25Å; T548-E551 PolarHBondContact OG1-N 3.47Å; T548-E551 PolarHBondContact OG1-OE2 2.84Å; T548-I552 PolarHBondContact O-N 3.05Å; T548-I552 VanDerWaalsContact O-N 3.14Å; T548-H623 HydrophobicContact CG2-CB 3.72Å; T548-I624 CarbonylContact C-O 3.38Å; T548-I624 WeakPolarHBondContact CA-O 3.38Å
549	L	89.5	Confident	74.5	Confident	9 Å²	9	69.3 Å²	69.3	5%	0.047	38%	0.375	C	S	.	.	H	α-helix	trans	-58.5	-36.1	178	179.5	56.7	0	0	0	112.5	I552 I553 L600 M614 I616 I624 V629	L549-I552 HydrophobicContact CD1-CD1 3.99Å; L549-I552 HydrophobicContact CD1-CG1 4.22Å; L549-I552 VanDerWaalsContact O-CG1 3.28Å; L549-I552 WeakPolarHBondContact O-CG1 3.37Å; L549-I553 HydrophobicContact CD1-CD1 4.07Å; L549-I553 HydrophobicContact CD1-CG1 4.31Å; L549-I553 HydrophobicContact CG-CD1 3.89Å; L549-I553 WeakPolarHBondContact O-CB 3.49Å; L549-I553 VanDerWaalsContact O-CD1 3.27Å; L549-I553 WeakPolarHBondContact O-CD1 3.46Å; L549-I553 WeakPolarHBondContact O-CG1 3.43Å; L549-I553 PolarHBondContact O-N 3.46Å; L549-L600 HydrophobicContact CD2-CD2 4.48Å; L549-M614 HydrophobicContact CD1-CE 3.84Å; L549-M614 HydrophobicContact CD2-CE 4.26Å; L549-I616 HydrophobicContact CD2-CD1 3.8Å; L549-I616 HydrophobicContact CD2-CG1 3.99Å; L549-I616 HydrophobicContact CD2-CG2 3.96Å; L549-I624 HydrophobicContact CB-CB 4.36Å; L549-I624 PolarHBondContact N-O 2.79Å; L549-V629 HydrophobicContact CD2-CG1 4.43Å
550	D	89.6	Confident	77.3	Confident	97 Å²	97	66.9 Å²	66.9	52%	0.519	36%	0.357	S	S	.	.	H	α-helix	trans	-75.9	-31.8	179	-79.4	-57.7	0	0	0	113.2	T548 I553 N554	T548-D550 VanDerWaalsContact C-N 3.26Å; T548-D550 PolarHBondContact O-N 2.77Å; D550-I553 PolarHBondContact O-N 2.89Å; D550-N554 VanDerWaalsContact O-CG 3.25Å; D550-N554 PolarHBondContact O-N 3.09Å; D550-N554 PolarHBondContact O-ND2 3.44Å; D550-N554 VanDerWaalsContact O-ND2 3.16Å
551	E	90.6	Very high	79.6	Confident	94 Å²	94	66.6 Å²	66.6	44%	0.439	35%	0.354	S	S	.	.	H	α-helix	trans	-64.4	-48.6	172.2	-72	163.2	131.7	0	0	111.4	T548 I553 N554 V555	T548-E551 VanDerWaalsContact CB-OE2 3.26Å; T548-E551 WeakPolarHBondContact CB-OE2 3.46Å; T548-E551 VanDerWaalsContact CG2-OE2 3.3Å; T548-E551 WeakPolarHBondContact CG2-OE2 3.46Å; T548-E551 PolarHBondContact N-OE2 2.85Å; T548-E551 PolarHBondContact O-N 3.16Å; T548-E551 VanDerWaalsContact OG1-CD 3.27Å; T548-E551 WeakPolarHBondContact OG1-CG 3.25Å; T548-E551 PolarHBondContact OG1-N 3.47Å; T548-E551 PolarHBondContact OG1-OE2 2.84Å; E551-I553 VanDerWaalsContact C-N 3.27Å; E551-I553 PolarHBondContact O-N 2.7Å; E551-N554 PolarHBondContact O-N 3.17Å; E551-V555 WeakPolarHBondContact O-CG2 3.26Å; E551-V555 PolarHBondContact O-N 3.38Å
552	I	91.3	Very high	81.8	Confident	5 Å²	5	65.4 Å²	65.4	3%	0.026	35%	0.352	C	S	.	.	H	α-helix	trans	-67.3	-29.3	178.1	74.2	179	0	0	0	112.2	L547 T548 L549 R556 V626 F687 V688 V691	L547-I552 HydrophobicContact CB-CG2 4.25Å; T548-I552 PolarHBondContact O-N 3.05Å; T548-I552 VanDerWaalsContact O-N 3.14Å; L549-I552 HydrophobicContact CD1-CD1 3.99Å; L549-I552 HydrophobicContact CD1-CG1 4.22Å; L549-I552 VanDerWaalsContact O-CG1 3.28Å; L549-I552 WeakPolarHBondContact O-CG1 3.37Å; I552-R556 VanDerWaalsContact O-CB 3.25Å; I552-R556 WeakPolarHBondContact O-CB 3.49Å; I552-R556 PolarHBondContact O-N 3.26Å; I552-V626 HydrophobicContact CD1-CB 4.05Å; I552-V626 HydrophobicContact CD1-CG2 3.41Å; I552-V626 VanDerWaalsContact CD1-CG2 3.41Å; I552-F687 HydrophobicContact CB-CE1 4.16Å; I552-V688 HydrophobicContact CD1-CG2 4.18Å; I552-V691 HydrophobicContact CG2-CG1 4.32Å
553	I	92.1	Very high	83.8	Confident	4 Å²	4	66.9 Å²	66.9	2%	0.021	36%	0.356	C	S	.	.	H	α-helix	trans	-62.9	-42.4	170	-76.8	166	0	0	0	110.2	L549 D550 E551 R557 L600 L601	L549-I553 HydrophobicContact CD1-CD1 4.07Å; L549-I553 HydrophobicContact CD1-CG1 4.31Å; L549-I553 HydrophobicContact CG-CD1 3.89Å; L549-I553 WeakPolarHBondContact O-CB 3.49Å; L549-I553 VanDerWaalsContact O-CD1 3.27Å; L549-I553 WeakPolarHBondContact O-CD1 3.46Å; L549-I553 WeakPolarHBondContact O-CG1 3.43Å; L549-I553 PolarHBondContact O-N 3.46Å; D550-I553 PolarHBondContact O-N 2.89Å; E551-I553 VanDerWaalsContact C-N 3.27Å; E551-I553 PolarHBondContact O-N 2.7Å; I553-R557 VanDerWaalsContact O-CB 3.31Å; I553-R557 WeakPolarHBondContact O-CB 3.32Å; I553-R557 PolarHBondContact O-N 3.22Å; I553-R557 VanDerWaalsContact O-N 3.08Å; I553-L600 HydrophobicContact CD1-CD1 4.45Å; I553-L600 HydrophobicContact CD1-CD2 4.26Å; I553-L600 HydrophobicContact CD1-CG 3.98Å; I553-L601 HydrophobicContact CG1-CB 4.43Å; I553-L601 HydrophobicContact CG1-CD1 4.03Å; I553-L601 HydrophobicContact CG1-CG 3.79Å
554	N	89.6	Confident	85.5	Confident	79 Å²	79	60.6 Å²	60.6	42%	0.422	33%	0.327	S	S	.	.	H	α-helix	trans	-70.6	-47.6	178.6	-70	-31	0	0	0	111.8	D550 E551 R556 R557 V558	D550-N554 VanDerWaalsContact O-CG 3.25Å; D550-N554 PolarHBondContact O-N 3.09Å; D550-N554 PolarHBondContact O-ND2 3.44Å; D550-N554 VanDerWaalsContact O-ND2 3.16Å; E551-N554 PolarHBondContact O-N 3.17Å; N554-R556 PolarHBondContact O-N 3.4Å; N554-R557 WeakPolarHBondContact O-CB 3.25Å; N554-R557 PolarHBondContact O-N 3.06Å; N554-R557 VanDerWaalsContact O-N 3.13Å; N554-R557 PolarHBondContact OD1-NH2 2.89Å; N554-V558 PolarHBondContact O-N 3.02Å; N554-V558 VanDerWaalsContact O-N 3.11Å
555	V	91.4	Very high	87.3	Confident	78 Å²	78	59.5 Å²	59.5	47%	0.473	31%	0.311	S	S	.	.	H	α-helix	trans	-54.6	-52.3	174.1	171.3	0	0	0	0	110.8	E551 R557 V558 L559 F687	E551-V555 WeakPolarHBondContact O-CG2 3.26Å; E551-V555 PolarHBondContact O-N 3.38Å; V555-R557 VanDerWaalsContact C-N 3.25Å; V555-R557 PolarHBondContact O-N 3.01Å; V555-V558 PolarHBondContact O-N 2.83Å; V555-V558 VanDerWaalsContact O-N 3.14Å; V555-L559 HydrophobicContact CG1-CD1 4.01Å; V555-L559 HydrophobicContact CG1-CG 4.44Å; V555-L559 WeakPolarHBondContact O-CG 3.36Å; V555-L559 PolarHBondContact O-N 3.28Å; V555-F687 HydrophobicContact CG1-CZ 4.32Å
556	R	93.3	Very high	88.9	Confident	17 Å²	17	59.5 Å²	59.5	6%	0.064	31%	0.305	C	S	.	.	H	α-helix	trans	-67	-25.3	-179.1	-169.2	64.4	-165.4	144.2	10.9	112.9	I552 N554 V560 E563 L601 C684 F687	I552-R556 VanDerWaalsContact O-CB 3.25Å; I552-R556 WeakPolarHBondContact O-CB 3.49Å; I552-R556 PolarHBondContact O-N 3.26Å; N554-R556 PolarHBondContact O-N 3.4Å; R556-V560 HydrophobicContact CG-CG2 4.35Å; R556-V560 VanDerWaalsContact CZ-CG2 3.48Å; R556-V560 VanDerWaalsContact NH2-CG2 3.32Å; R556-V560 WeakPolarHBondContact O-CB 3.49Å; R556-V560 VanDerWaalsContact O-CG2 3.32Å; R556-V560 WeakPolarHBondContact O-CG2 3.26Å; R556-V560 PolarHBondContact O-N 3.02Å; R556-E563 IonicContact CZ-OE1 3.97Å; R556-E563 VanDerWaalsContact CZ-OE1 3.23Å; R556-E563 IonicContact CZ-OE2 2.71Å; R556-E563 IonicContact NH1-OE1 3.92Å; R556-E563 PolarHBondContact NH1-OE1 3.3Å; R556-E563 IonicContact NH1-OE2 3.87Å; R556-E563 VanDerWaalsContact NH2-CD 3.26Å; R556-E563 IonicContact NH2-OE1 2.94Å; R556-E563 PolarHBondContact NH2-OE1 2.98Å; R556-E563 IonicContact NH2-OE2 3.95Å; R556-E563 PolarHBondContact NH2-OE2 3.19Å; R556-L601 HydrophobicContact CB-CB 4.16Å; R556-L601 HydrophobicContact CB-CD2 4.02Å; R556-L601 HydrophobicContact CG-CB 4.09Å; R556-L601 HydrophobicContact CG-CD2 4.1Å; R556-C684 VanDerWaalsContact CG-SG 3.59Å; R556-F687 HydrophobicContact CB-CD1 4.15Å; R556-F687 HydrophobicContact CB-CE1 3.75Å; R556-F687 HydrophobicContact CB-CZ 4.23Å; R556-F687 HydrophobicContact CG-CD1 4.06Å; R556-F687 HydrophobicContact CG-CE1 4.18Å
557	R	91.8	Very high	89.6	Confident	111 Å²	111	60.9 Å²	60.9	42%	0.419	31%	0.307	S	S	.	.	H	α-helix	trans	-69.4	-38.9	173	-166.5	-172.7	-50.4	156.3	16.2	112.1	I553 N554 V555 K561	I553-R557 VanDerWaalsContact O-CB 3.31Å; I553-R557 WeakPolarHBondContact O-CB 3.32Å; I553-R557 PolarHBondContact O-N 3.22Å; I553-R557 VanDerWaalsContact O-N 3.08Å; N554-R557 WeakPolarHBondContact O-CB 3.25Å; N554-R557 PolarHBondContact O-N 3.06Å; N554-R557 VanDerWaalsContact O-N 3.13Å; N554-R557 PolarHBondContact OD1-NH2 2.89Å; V555-R557 VanDerWaalsContact C-N 3.25Å; V555-R557 PolarHBondContact O-N 3.01Å; R557-K561 PolarHBondContact O-N 3.31Å
558	V	92	Very high	89.6	Confident	104 Å²	104	61.2 Å²	61.2	63%	0.63	31%	0.309	S	S	*	.	H	α-helix	trans	-66.7	-49.9	173.6	177.6	0	0	0	0	110.2	N554 V555 V560 K561 A562	N554-V558 PolarHBondContact O-N 3.02Å; N554-V558 VanDerWaalsContact O-N 3.11Å; V555-V558 PolarHBondContact O-N 2.83Å; V555-V558 VanDerWaalsContact O-N 3.14Å; V558-V560 PolarHBondContact O-N 2.89Å; V558-K561 WeakPolarHBondContact O-CA 3.41Å; V558-K561 VanDerWaalsContact O-CB 3.3Å; V558-K561 WeakPolarHBondContact O-CB 3.19Å; V558-K561 PolarHBondContact O-N 3.09Å; V558-A562 PolarHBondContact O-N 3.37Å; V558-A562 VanDerWaalsContact O-N 3.15Å
559	L	91.6	Very high	89.4	Confident	76 Å²	76	69.8 Å²	69.8	40%	0.398	35%	0.348	S	S	.	.	H	α-helix	trans	-56.4	-46.4	177.8	-65.9	174.7	0	0	0	112.2	V555 K561 A562 E563 F687	V555-L559 HydrophobicContact CG1-CD1 4.01Å; V555-L559 HydrophobicContact CG1-CG 4.44Å; V555-L559 WeakPolarHBondContact O-CG 3.36Å; V555-L559 PolarHBondContact O-N 3.28Å; L559-K561 PolarHBondContact O-N 3.05Å; L559-A562 PolarHBondContact O-N 3.17Å; L559-E563 WeakPolarHBondContact O-CB 3.33Å; L559-E563 VanDerWaalsContact O-CG 3.31Å; L559-E563 WeakPolarHBondContact O-CG 3.39Å; L559-E563 PolarHBondContact O-N 2.92Å; L559-F687 HydrophobicContact CD1-CE2 4.33Å
560	V	91	Very high	89.4	Confident	2 Å²	2	72.1 Å²	72.1	1%	0.012	37%	0.365	C	S	.	.	H	α-helix	trans	-70	-19	178.1	174.7	0	0	0	0	113	R556 V558 M564 C602 R604	R556-V560 HydrophobicContact CG-CG2 4.35Å; R556-V560 VanDerWaalsContact CZ-CG2 3.48Å; R556-V560 VanDerWaalsContact NH2-CG2 3.32Å; R556-V560 WeakPolarHBondContact O-CB 3.49Å; R556-V560 VanDerWaalsContact O-CG2 3.32Å; R556-V560 WeakPolarHBondContact O-CG2 3.26Å; R556-V560 PolarHBondContact O-N 3.02Å; V558-V560 PolarHBondContact O-N 2.89Å; V560-M564 WeakPolarHBondContact O-CG 3.15Å; V560-M564 PolarHBondContact O-N 3.18Å; V560-C602 HydrophobicContact CB-CB 3.83Å; V560-C602 HydrophobicContact CG1-CB 3.84Å; V560-C602 HydrophobicContact CG2-CB 3.64Å; V560-R604 HydrophobicContact CG1-CG 4.13Å
561	K	89.2	Confident	89.3	Confident	122 Å²	122	75.9 Å²	75.9	53%	0.53	38%	0.377	S	S	.	.	H	α-helix	trans	-70.2	-52.6	169.8	-169.2	-162.3	169	-140.7	0	110.2	R557 V558 L559 E563 M564 E565	R557-K561 PolarHBondContact O-N 3.31Å; V558-K561 WeakPolarHBondContact O-CA 3.41Å; V558-K561 VanDerWaalsContact O-CB 3.3Å; V558-K561 WeakPolarHBondContact O-CB 3.19Å; V558-K561 PolarHBondContact O-N 3.09Å; L559-K561 PolarHBondContact O-N 3.05Å; K561-E563 PolarHBondContact O-N 3.24Å; K561-M564 WeakPolarHBondContact O-CB 3.43Å; K561-M564 PolarHBondContact O-N 3.25Å; K561-E565 WeakPolarHBondContact CE-OE1 3.47Å; K561-E565 IonicContact NZ-OE1 3.07Å; K561-E565 PolarHBondContact NZ-OE1 3.04Å; K561-E565 PolarHBondContact O-N 2.9Å
562	A	89	Confident	89.4	Confident	58 Å²	58	77 Å²	77	48%	0.479	38%	0.382	S	S	.	.	H	α-helix	trans	-61.3	-43.4	176.7	0	0	0	0	0	112.1	V558 L559 M564 E565	V558-A562 PolarHBondContact O-N 3.37Å; V558-A562 VanDerWaalsContact O-N 3.15Å; L559-A562 PolarHBondContact O-N 3.17Å; A562-M564 PolarHBondContact O-N 3.35Å; A562-E565 PolarHBondContact O-N 2.69Å
563	E	88.6	Confident	89.2	Confident	67 Å²	67	79.1 Å²	79.1	31%	0.313	39%	0.393	S	S	.	.	H	α-helix	trans	-58.6	-18.7	174.1	-75.3	173.8	-170.4	0	0	113.8	R556 L559 K561 K566	R556-E563 IonicContact CZ-OE1 3.97Å; R556-E563 VanDerWaalsContact CZ-OE1 3.23Å; R556-E563 IonicContact CZ-OE2 2.71Å; R556-E563 IonicContact NH1-OE1 3.92Å; R556-E563 PolarHBondContact NH1-OE1 3.3Å; R556-E563 IonicContact NH1-OE2 3.87Å; R556-E563 VanDerWaalsContact NH2-CD 3.26Å; R556-E563 IonicContact NH2-OE1 2.94Å; R556-E563 PolarHBondContact NH2-OE1 2.98Å; R556-E563 IonicContact NH2-OE2 3.95Å; R556-E563 PolarHBondContact NH2-OE2 3.19Å; L559-E563 WeakPolarHBondContact O-CB 3.33Å; L559-E563 VanDerWaalsContact O-CG 3.31Å; L559-E563 WeakPolarHBondContact O-CG 3.39Å; L559-E563 PolarHBondContact O-N 2.92Å; K561-E563 PolarHBondContact O-N 3.24Å; E563-K566 WeakPolarHBondContact O-CD 3.44Å; E563-K566 WeakPolarHBondContact O-CE 3.34Å; E563-K566 WeakPolarHBondContact O-CG 3.49Å; E563-K566 PolarHBondContact O-NZ 3.43Å
564	M	85.9	Confident	89.2	Confident	8 Å²	8	81.5 Å²	81.5	4%	0.039	40%	0.402	C	S	.	.	H	α-helix	trans	-94.4	-18.4	175.2	-82.5	-170.3	54.4	0	0	114	V560 K561 A562 K566 Y567 Y574 L577 R604	V560-M564 WeakPolarHBondContact O-CG 3.15Å; V560-M564 PolarHBondContact O-N 3.18Å; K561-M564 WeakPolarHBondContact O-CB 3.43Å; K561-M564 PolarHBondContact O-N 3.25Å; A562-M564 PolarHBondContact O-N 3.35Å; M564-K566 PolarHBondContact O-N 3.35Å; M564-Y567 WeakPolarHBondContact O-CB 3.42Å; M564-Y567 PolarHBondContact O-N 3.5Å; M564-Y574 HydrophobicContact CB-CD2 4.41Å; M564-Y574 HydrophobicContact CB-CE2 4.17Å; M564-Y574 HydrophobicContact CE-CD2 3.85Å; M564-Y574 HydrophobicContact CE-CE2 3.93Å; M564-Y574 WeakPolarHBondContact O-CD2 3.42Å; M564-L577 HydrophobicContact CE-CB 3.38Å; M564-L577 HydrophobicContact CE-CD1 4.12Å; M564-L577 HydrophobicContact CE-CG 4.37Å; M564-L577 HydrophobicContact CG-CD1 4.5Å; M564-L577 HydrophobicContact SD-CB 4.14Å; M564-R604 PolarHBondContact SD-NH1 3.15Å; M564-R604 PolarHBondContact SD-NH2 3.08Å; M564-R604 VanDerWaalsContact SD-NH2 3.38Å
565	E	88.1	Confident	89.3	Confident	76 Å²	76	80.1 Å²	80.1	36%	0.355	40%	0.398	S	S	.	.	H	α-helix	trans	-69	-25.1	-177.2	-74.6	161.3	-178.1	0	0	111.5	K561 A562 Y567 L568	K561-E565 WeakPolarHBondContact CE-OE1 3.47Å; K561-E565 IonicContact NZ-OE1 3.07Å; K561-E565 PolarHBondContact NZ-OE1 3.04Å; K561-E565 PolarHBondContact O-N 2.9Å; A562-E565 PolarHBondContact O-N 2.69Å; E565-Y567 PolarHBondContact O-N 2.71Å; E565-L568 HydrophobicContact CB-CD1 4.01Å; E565-L568 HydrophobicContact CG-CD1 4.22Å; E565-L568 WeakPolarHBondContact O-CB 3.43Å; E565-L568 WeakPolarHBondContact O-CD1 3.42Å; E565-L568 WeakPolarHBondContact O-CG 3.49Å; E565-L568 PolarHBondContact O-N 3.22Å
566	K	88.2	Confident	89.3	Confident	124 Å²	124	76.9 Å²	76.9	54%	0.539	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-12.9	165.9	75.4	-168.8	-179.4	-119.6	0	115.2	E563 M564	E563-K566 WeakPolarHBondContact O-CD 3.44Å; E563-K566 WeakPolarHBondContact O-CE 3.34Å; E563-K566 WeakPolarHBondContact O-CG 3.49Å; E563-K566 PolarHBondContact O-NZ 3.43Å; M564-K566 PolarHBondContact O-N 3.35Å
567	Y	85.7	Confident	89.2	Confident	48 Å²	48	76.6 Å²	76.6	19%	0.188	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	3.4	175.2	-59	-54.7	0	0	0	113.9	M564 E565 Q569 S570 L573 L577 R587	M564-Y567 WeakPolarHBondContact O-CB 3.42Å; M564-Y567 PolarHBondContact O-N 3.5Å; E565-Y567 PolarHBondContact O-N 2.71Å; Y567-Q569 PolarHBondContact O-N 3.19Å; Y567-S570 CarbonylContact O-C 3.57Å; Y567-S570 VanDerWaalsContact O-C 3.26Å; Y567-S570 WeakPolarHBondContact O-CA 3.33Å; Y567-S570 PolarHBondContact O-N 3.03Å; Y567-S570 VanDerWaalsContact O-O 3.11Å; Y567-L573 HydrophobicContact CD1-CD2 3.67Å; Y567-L573 HydrophobicContact CD2-CD2 3.95Å; Y567-L573 HydrophobicContact CE1-CD2 4.21Å; Y567-L573 HydrophobicContact CE2-CD2 4.45Å; Y567-L573 HydrophobicContact CG-CD2 3.54Å; Y567-L577 HydrophobicContact CD2-CD1 3.81Å; Y567-L577 HydrophobicContact CE2-CD1 4.15Å; Y567-R587 PolarHBondContact OH-NE 3.32Å; Y567-R587 VanDerWaalsContact OH-NE 3.1Å; Y567-R587 PolarHBondContact OH-NH2 3.42Å
568	L	84.8	Confident	89.1	Confident	93 Å²	93	78.2 Å²	78.2	49%	0.487	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-30.5	178.1	-72.1	167.1	0	0	0	113.2	E565 S570 Y574	E565-L568 HydrophobicContact CB-CD1 4.01Å; E565-L568 HydrophobicContact CG-CD1 4.22Å; E565-L568 WeakPolarHBondContact O-CB 3.43Å; E565-L568 WeakPolarHBondContact O-CD1 3.42Å; E565-L568 WeakPolarHBondContact O-CG 3.49Å; E565-L568 PolarHBondContact O-N 3.22Å; L568-S570 VanDerWaalsContact C-N 3.27Å; L568-S570 PolarHBondContact O-N 3.14Å; L568-Y574 HydrophobicContact CD2-CD1 4.19Å; L568-Y574 HydrophobicContact CD2-CD2 4.34Å; L568-Y574 HydrophobicContact CD2-CE1 3.95Å; L568-Y574 HydrophobicContact CD2-CE2 4.1Å; L568-Y574 HydrophobicContact CD2-CG 4.38Å
569	Q	84.6	Confident	89	Confident	194 Å²	194	81.5 Å²	81.5	91%	0.907	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-33.8	171.7	-64.4	176.6	-5.5	0	0	112.2	Y567 K571	Y567-Q569 PolarHBondContact O-N 3.19Å; Q569-K571 PolarHBondContact O-N 2.67Å
570	S	89.3	Confident	89	Confident	58 Å²	58	78.7 Å²	78.7	41%	0.406	38%	0.378	S	S	.	.	S	Bend	trans	-100.4	75.8	175.5	-169.7	0	0	0	0	110.6	Y567 L568 E572 L573 Y574	Y567-S570 CarbonylContact O-C 3.57Å; Y567-S570 VanDerWaalsContact O-C 3.26Å; Y567-S570 WeakPolarHBondContact O-CA 3.33Å; Y567-S570 PolarHBondContact O-N 3.03Å; Y567-S570 VanDerWaalsContact O-O 3.11Å; L568-S570 VanDerWaalsContact C-N 3.27Å; L568-S570 PolarHBondContact O-N 3.14Å; S570-E572 PolarHBondContact O-N 3.03Å; S570-E572 VanDerWaalsContact O-N 3.13Å; S570-L573 PolarHBondContact O-N 3.39Å; S570-L573 WeakPolarHBondContact OG-CB 3.31Å; S570-Y574 PolarHBondContact O-N 3.05Å
571	K	87.9	Confident	89	Confident	175 Å²	175	82.6 Å²	82.6	76%	0.761	40%	0.395	S	S	*	.	H	α-helix	trans	-49.5	-39.8	-176.2	-68	-179.7	179.5	175.5	0	113.5	Q569 S575	Q569-K571 PolarHBondContact O-N 2.67Å; K571-S575 WeakPolarHBondContact O-CB 3.46Å; K571-S575 PolarHBondContact O-N 3.24Å
572	E	91.3	Very high	89.2	Confident	119 Å²	119	77.4 Å²	77.4	56%	0.556	37%	0.374	S	S	*	.	H	α-helix	trans	-68.4	-45.5	177.7	-156.1	-138.3	149.3	0	0	112.1	S570 S575 N576 R589	S570-E572 PolarHBondContact O-N 3.03Å; S570-E572 VanDerWaalsContact O-N 3.13Å; E572-S575 PolarHBondContact O-N 3.09Å; E572-N576 VanDerWaalsContact CD-ND2 3.32Å; E572-N576 WeakPolarHBondContact O-CB 3.31Å; E572-N576 VanDerWaalsContact O-CG 3.28Å; E572-N576 PolarHBondContact O-N 3.42Å; E572-N576 PolarHBondContact O-ND2 3.01Å; E572-N576 VanDerWaalsContact O-ND2 3.11Å; E572-N576 PolarHBondContact OE1-ND2 3.19Å; E572-R589 IonicContact OE1-CZ 2.8Å; E572-R589 IonicContact OE1-NH1 3.29Å; E572-R589 PolarHBondContact OE1-NH1 3.12Å
573	L	88.9	Confident	89.4	Confident	48 Å²	48	74.6 Å²	74.6	25%	0.251	35%	0.351	S	S	.	.	H	α-helix	trans	-66.7	-42	-179	-174.6	145.6	0	0	0	111.5	Y567 S570 N576 L577	Y567-L573 HydrophobicContact CD1-CD2 3.67Å; Y567-L573 HydrophobicContact CD2-CD2 3.95Å; Y567-L573 HydrophobicContact CE1-CD2 4.21Å; Y567-L573 HydrophobicContact CE2-CD2 4.45Å; Y567-L573 HydrophobicContact CG-CD2 3.54Å; S570-L573 PolarHBondContact O-N 3.39Å; S570-L573 WeakPolarHBondContact OG-CB 3.31Å; L573-N576 PolarHBondContact O-N 3.48Å; L573-L577 HydrophobicContact CD2-CD1 3.62Å; L573-L577 HydrophobicContact CD2-CG 4.43Å; L573-L577 WeakPolarHBondContact O-CB 3.29Å; L573-L577 WeakPolarHBondContact O-CG 3.35Å; L573-L577 PolarHBondContact O-N 3.38Å
574	Y	91.7	Very high	89.5	Confident	55 Å²	55	72.2 Å²	72.2	22%	0.216	34%	0.341	C	S	.	.	H	α-helix	trans	-62.3	-44	172.8	179.9	-98.4	0	0	0	112	M564 L568 S570 L577 K578	M564-Y574 HydrophobicContact CB-CD2 4.41Å; M564-Y574 HydrophobicContact CB-CE2 4.17Å; M564-Y574 HydrophobicContact CE-CD2 3.85Å; M564-Y574 HydrophobicContact CE-CE2 3.93Å; M564-Y574 WeakPolarHBondContact O-CD2 3.42Å; L568-Y574 HydrophobicContact CD2-CD1 4.19Å; L568-Y574 HydrophobicContact CD2-CD2 4.34Å; L568-Y574 HydrophobicContact CD2-CE1 3.95Å; L568-Y574 HydrophobicContact CD2-CE2 4.1Å; L568-Y574 HydrophobicContact CD2-CG 4.38Å; S570-Y574 PolarHBondContact O-N 3.05Å; Y574-L577 PolarHBondContact O-N 2.97Å; Y574-K578 HydrophobicContact CE1-CD 4.39Å; Y574-K578 WeakPolarHBondContact O-CB 3.46Å; Y574-K578 PolarHBondContact O-N 3.38Å
575	S	91.2	Very high	89.7	Confident	49 Å²	49	72.6 Å²	72.6	34%	0.343	34%	0.344	S	S	.	.	H	α-helix	trans	-62	-44.2	175.4	-175.1	0	0	0	0	111.9	K571 E572 K578 R579	K571-S575 WeakPolarHBondContact O-CB 3.46Å; K571-S575 PolarHBondContact O-N 3.24Å; E572-S575 PolarHBondContact O-N 3.09Å; S575-K578 PolarHBondContact O-N 3.17Å; S575-R579 WeakPolarHBondContact O-CB 3.31Å; S575-R579 VanDerWaalsContact O-CG 3.3Å; S575-R579 WeakPolarHBondContact O-CG 3.48Å; S575-R579 PolarHBondContact O-N 2.99Å
576	N	91.5	Very high	89.9	Confident	10 Å²	10	71.3 Å²	71.3	5%	0.053	34%	0.343	C	S	.	.	H	α-helix	trans	-64.7	-40.4	177.1	-75.2	-39.4	0	0	0	112.4	E572 L573 R579 G580 K581 V582 R589	E572-N576 VanDerWaalsContact CD-ND2 3.32Å; E572-N576 WeakPolarHBondContact O-CB 3.31Å; E572-N576 VanDerWaalsContact O-CG 3.28Å; E572-N576 PolarHBondContact O-N 3.42Å; E572-N576 PolarHBondContact O-ND2 3.01Å; E572-N576 VanDerWaalsContact O-ND2 3.11Å; E572-N576 PolarHBondContact OE1-ND2 3.19Å; L573-N576 PolarHBondContact O-N 3.48Å; N576-R579 PolarHBondContact O-N 3.38Å; N576-G580 PolarHBondContact O-N 2.71Å; N576-G580 VanDerWaalsContact O-N 3.09Å; N576-K581 HydrophobicContact CB-CB 4.15Å; N576-K581 PolarHBondContact O-N 3.43Å; N576-K581 VanDerWaalsContact OD1-CD 3.32Å; N576-K581 WeakPolarHBondContact OD1-CD 3.25Å; N576-V582 HydrophobicContact CB-CG1 4.04Å; N576-V582 HydrophobicContact CB-CG2 3.92Å; N576-R589 PolarHBondContact ND2-NH1 3.47Å
577	L	90.7	Very high	90	Very high	11 Å²	11	70.3 Å²	70.3	6%	0.058	34%	0.336	C	S	.	.	H	α-helix	trans	-66.2	-38.8	172.9	-78.9	168.4	0	0	0	112.3	M564 Y567 L573 Y574 G580 V582	M564-L577 HydrophobicContact CE-CB 3.38Å; M564-L577 HydrophobicContact CE-CD1 4.12Å; M564-L577 HydrophobicContact CE-CG 4.37Å; M564-L577 HydrophobicContact CG-CD1 4.5Å; M564-L577 HydrophobicContact SD-CB 4.14Å; Y567-L577 HydrophobicContact CD2-CD1 3.81Å; Y567-L577 HydrophobicContact CE2-CD1 4.15Å; L573-L577 HydrophobicContact CD2-CD1 3.62Å; L573-L577 HydrophobicContact CD2-CG 4.43Å; L573-L577 WeakPolarHBondContact O-CB 3.29Å; L573-L577 WeakPolarHBondContact O-CG 3.35Å; L573-L577 PolarHBondContact O-N 3.38Å; Y574-L577 PolarHBondContact O-N 2.97Å; L577-G580 PolarHBondContact O-N 3Å; L577-V582 HydrophobicContact CB-CG2 4.34Å; L577-V582 HydrophobicContact CD2-CG2 3.69Å; L577-V582 HydrophobicContact CG-CG2 3.67Å
578	K	89.9	Confident	90.1	Very high	146 Å²	146	72.5 Å²	72.5	64%	0.635	35%	0.354	S	S	*	.	H	α-helix	trans	-68.7	-35.5	176.9	-172.8	177.5	178	-178.1	0	112	Y574 S575	Y574-K578 HydrophobicContact CE1-CD 4.39Å; Y574-K578 WeakPolarHBondContact O-CB 3.46Å; Y574-K578 PolarHBondContact O-N 3.38Å; S575-K578 PolarHBondContact O-N 3.17Å
579	R	90.4	Very high	90.4	Very high	173 Å²	173	74.9 Å²	74.9	65%	0.653	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	5.1	177.2	-64.8	179.6	73.2	165.3	6.4	114	S575 N576 K581	S575-R579 WeakPolarHBondContact O-CB 3.31Å; S575-R579 VanDerWaalsContact O-CG 3.3Å; S575-R579 WeakPolarHBondContact O-CG 3.48Å; S575-R579 PolarHBondContact O-N 2.99Å; N576-R579 PolarHBondContact O-N 3.38Å; R579-K581 VanDerWaalsContact C-N 3.26Å; R579-K581 HydrophobicContact CB-CG 4.24Å; R579-K581 PolarHBondContact O-N 3.4Å
580	G	91.3	Very high	90.7	Very high	16 Å²	16	67.2 Å²	67.2	17%	0.165	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.3	19.3	178.4	0	0	0	0	0	115.5	N576 L577 F590 S605	N576-G580 PolarHBondContact O-N 2.71Å; N576-G580 VanDerWaalsContact O-N 3.09Å; L577-G580 PolarHBondContact O-N 3Å; G580-F590 WeakPolarHBondContact O-CD2 3.5Å; G580-F590 WeakPolarHBondContact O-CE2 3.27Å; G580-S605 VanDerWaalsContact CA-OG 3.23Å; G580-S605 WeakPolarHBondContact CA-OG 3.47Å
581	K	91.3	Very high	90.5	Very high	85 Å²	85	68.8 Å²	68.8	37%	0.37	33%	0.33	S	S	.	.			trans	-81.9	-16	-177.7	-70.1	-175.9	169.4	-169.6	0	114.3	N576 R579 R589 F590	N576-K581 HydrophobicContact CB-CB 4.15Å; N576-K581 PolarHBondContact O-N 3.43Å; N576-K581 VanDerWaalsContact OD1-CD 3.32Å; N576-K581 WeakPolarHBondContact OD1-CD 3.25Å; R579-K581 VanDerWaalsContact C-N 3.26Å; R579-K581 HydrophobicContact CB-CG 4.24Å; R579-K581 PolarHBondContact O-N 3.4Å; K581-R589 WeakPolarHBondContact O-CA 3.42Å; K581-F590 VanDerWaalsContact C-CD2 3.44Å; K581-F590 WeakPolarHBondContact O-CD2 3.24Å; K581-F590 PolarHBondContact O-N 3.15Å
582	V	92.1	Very high	90	Very high	12 Å²	12	68.6 Å²	68.6	7%	0.073	34%	0.336	C	S	.	.	B	Isolated β-bridge	trans	-131.1	149.5	177.2	-65.4	0	0	0	0	110	N576 L577 V588 R589 F590	N576-V582 HydrophobicContact CB-CG1 4.04Å; N576-V582 HydrophobicContact CB-CG2 3.92Å; L577-V582 HydrophobicContact CB-CG2 4.34Å; L577-V582 HydrophobicContact CD2-CG2 3.69Å; L577-V582 HydrophobicContact CG-CG2 3.67Å; V582-V588 CarbonylContact C-O 3.55Å; V582-V588 WeakPolarHBondContact CA-O 3.27Å; V582-R589 HydrophobicContact CG1-CB 3.98Å; V582-R589 HydrophobicContact CG1-CG 4.09Å; V582-F590 WeakPolarHBondContact O-CE2 3.32Å
583	C	93.1	Very high	89.4	Confident	0 Å²	0	72.2 Å²	72.2	0%	0	35%	0.35	C	S	.	.			trans	-66.9	130.8	178.1	176.7	0	0	0	0	111.7	C585 C586 R587 V588 F590 C607	C583-C585 VanDerWaalsContact C-N 3.3Å; C583-C585 PolarHBondContact O-N 3.5Å; C583-C586 WeakPolarHBondContact CB-SG 3.42Å; C583-C586 PolarHBondContact SG-SG 3.03Å; C583-R587 WeakPolarHBondContact O-CA 3.13Å; C583-R587 PolarHBondContact O-N 2.93Å; C583-V588 PolarHBondContact N-O 2.72Å; C583-F590 VanDerWaalsContact CA-CZ 3.47Å; C583-F590 HydrophobicContact CB-CE1 4.03Å; C583-F590 HydrophobicContact CB-CZ 3.77Å; C583-C607 HydrophobicContact CB-CB 4.35Å; C583-C607 PolarHBondContact SG-N 3.13Å; C583-C607 VanDerWaalsContact SG-N 3.41Å
584	C	92.1	Very high	88.8	Confident	16 Å²	16	72.2 Å²	72.2	11%	0.108	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-41.5	-178	-165.1	0	0	0	0	113.8	R604 S605	C584-R604 HydrophobicContact CB-CB 3.83Å; C584-S605 PolarHBondContact N-O 3.03Å
585	C	90.6	Very high	88.3	Confident	16 Å²	16	81.6 Å²	81.6	11%	0.108	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-49.7	-174	-53.7	0	0	0	0	113	C583 R587 C610 C681 E683	C583-C585 VanDerWaalsContact C-N 3.3Å; C583-C585 PolarHBondContact O-N 3.5Å; C585-R587 PolarHBondContact O-NH1 3.08Å; C585-C610 HydrophobicContact CB-CB 4.34Å; C585-C681 VanDerWaalsContact SG-CB 3.56Å; C585-C681 VanDerWaalsContact SG-SG 3.68Å; C585-E683 PolarHBondContact SG-OE2 2.85Å
586	C	90.9	Very high	88.2	Confident	50 Å²	50	81.4 Å²	81.4	34%	0.338	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-5.4	-174.3	69.4	0	0	0	0	114.8	C583 V588	C583-C586 WeakPolarHBondContact CB-SG 3.42Å; C583-C586 PolarHBondContact SG-SG 3.03Å; C586-V588 HydrophobicContact CB-CG2 4.36Å; C586-V588 PolarHBondContact O-N 2.94Å
587	R	90.3	Very high	88.1	Confident	103 Å²	103	82.5 Å²	82.5	39%	0.389	40%	0.395	S	S	.	.			trans	61.3	2.3	178.2	-58.8	166	-163.6	68.7	11.2	115.9	Y567 C583 C585	Y567-R587 PolarHBondContact OH-NE 3.32Å; Y567-R587 VanDerWaalsContact OH-NE 3.1Å; Y567-R587 PolarHBondContact OH-NH2 3.42Å; C583-R587 WeakPolarHBondContact O-CA 3.13Å; C583-R587 PolarHBondContact O-N 2.93Å; C585-R587 PolarHBondContact O-NH1 3.08Å
588	V	89.2	Confident	88.3	Confident	94 Å²	94	85.8 Å²	85.8	57%	0.57	42%	0.416	S	S	*	.	P	Polyproline II helix	trans	-62	134.3	172.8	179.7	0	0	0	0	110.3	V582 C583 C586	V582-V588 CarbonylContact C-O 3.55Å; V582-V588 WeakPolarHBondContact CA-O 3.27Å; C583-V588 PolarHBondContact N-O 2.72Å; C586-V588 HydrophobicContact CB-CG2 4.36Å; C586-V588 PolarHBondContact O-N 2.94Å
589	R	90.2	Very high	88.6	Confident	143 Å²	143	78.9 Å²	78.9	54%	0.54	39%	0.386	S	S	.	.	B	Isolated β-bridge	trans	-73.8	137	177.8	-159.6	171.7	-176.8	124.3	-12.9	110.4	E572 N576 K581 V582	E572-R589 IonicContact OE1-CZ 2.8Å; E572-R589 IonicContact OE1-NH1 3.29Å; E572-R589 PolarHBondContact OE1-NH1 3.12Å; N576-R589 PolarHBondContact ND2-NH1 3.47Å; K581-R589 WeakPolarHBondContact O-CA 3.42Å; V582-R589 HydrophobicContact CG1-CB 3.98Å; V582-R589 HydrophobicContact CG1-CG 4.09Å
590	F	90.6	Very high	88.8	Confident	32 Å²	32	71.9 Å²	71.9	14%	0.14	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-75.1	133.2	-179.7	-62.8	-63.3	0	0	0	111.1	G580 K581 V582 C583 P596 C607	G580-F590 WeakPolarHBondContact O-CD2 3.5Å; G580-F590 WeakPolarHBondContact O-CE2 3.27Å; K581-F590 VanDerWaalsContact C-CD2 3.44Å; K581-F590 WeakPolarHBondContact O-CD2 3.24Å; K581-F590 PolarHBondContact O-N 3.15Å; V582-F590 WeakPolarHBondContact O-CE2 3.32Å; C583-F590 VanDerWaalsContact CA-CZ 3.47Å; C583-F590 HydrophobicContact CB-CE1 4.03Å; C583-F590 HydrophobicContact CB-CZ 3.77Å; F590-P596 HydrophobicContact CD1-CB 3.92Å; F590-P596 HydrophobicContact CD2-CB 3.99Å; F590-P596 HydrophobicContact CD2-CG 4.14Å; F590-P596 HydrophobicContact CE1-CB 3.6Å; F590-P596 HydrophobicContact CE2-CB 3.69Å; F590-P596 HydrophobicContact CE2-CG 4.14Å; F590-P596 HydrophobicContact CG-CB 4.11Å; F590-P596 HydrophobicContact CG-CG 4.44Å; F590-P596 HydrophobicContact CZ-CB 3.48Å; F590-P596 VanDerWaalsContact CZ-CB 3.48Å; F590-P596 HydrophobicContact CZ-CG 4.41Å; F590-C607 HydrophobicContact CE1-CB 3.91Å
591	P	86.3	Confident	89	Confident	92 Å²	92	71.1 Å²	71.1	60%	0.597	35%	0.353	S	S	*	.	P	Polyproline II helix	trans	-54.9	144.6	165.1	-26.8	34.5	0	0	0	112.1	F593 S594	P591-F593 PolarHBondContact O-N 2.94Å; P591-F593 VanDerWaalsContact O-N 3.08Å; P591-S594 VanDerWaalsContact CD-OG 3.32Å; P591-S594 WeakPolarHBondContact CD-OG 3.12Å; P591-S594 PolarHBondContact O-N 3.49Å; P591-S594 PolarHBondContact O-OG 2.92Å
592	L	76.2	Confident	89.1	Confident	170 Å²	170	67.1 Å²	67.1	89%	0.89	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-26.3	-175.2	-64.6	174.4	0	0	0	114.1
593	F	79.3	Confident	89.2	Confident	196 Å²	196	71.3 Å²	71.3	86%	0.86	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.1	12.8	179.6	-56.1	-73.7	0	0	0	113.6	P591	P591-F593 PolarHBondContact O-N 2.94Å; P591-F593 VanDerWaalsContact O-N 3.08Å
594	S	75.7	Confident	89.2	Confident	47 Å²	47	73.8 Å²	73.8	33%	0.329	36%	0.363	S	S	.	.			trans	-104.3	132.8	178.9	70.3	0	0	0	0	111.8	P591 P596	P591-S594 VanDerWaalsContact CD-OG 3.32Å; P591-S594 WeakPolarHBondContact CD-OG 3.12Å; P591-S594 PolarHBondContact O-N 3.49Å; P591-S594 PolarHBondContact O-OG 2.92Å; S594-P596 VanDerWaalsContact O-CD 3.31Å; S594-P596 WeakPolarHBondContact O-CD 3.35Å
595	W	81.6	Confident	89.4	Confident	252 Å²	252	74 Å²	74	96%	0.955	37%	0.365	S	S	*	.			trans	-92.8	107.9	175.3	-65.7	89.1	0	0	0	109.4
596	P	88.2	Confident	89.6	Confident	45 Å²	45	73.3 Å²	73.3	29%	0.292	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-76.6	137.1	-178.7	31.2	-35.4	0	0	0	111.6	F590 S594	F590-P596 HydrophobicContact CD1-CB 3.92Å; F590-P596 HydrophobicContact CD2-CB 3.99Å; F590-P596 HydrophobicContact CD2-CG 4.14Å; F590-P596 HydrophobicContact CE1-CB 3.6Å; F590-P596 HydrophobicContact CE2-CB 3.69Å; F590-P596 HydrophobicContact CE2-CG 4.14Å; F590-P596 HydrophobicContact CG-CB 4.11Å; F590-P596 HydrophobicContact CG-CG 4.44Å; F590-P596 HydrophobicContact CZ-CB 3.48Å; F590-P596 VanDerWaalsContact CZ-CB 3.48Å; F590-P596 HydrophobicContact CZ-CG 4.41Å; S594-P596 VanDerWaalsContact O-CD 3.31Å; S594-P596 WeakPolarHBondContact O-CD 3.35Å
597	S	91.3	Very high	89.6	Confident	34 Å²	34	72.1 Å²	72.1	24%	0.238	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	137.5	173.6	-63.6	0	0	0	0	110.7	S605 V606 D679	S597-S605 CarbonylContact O-C 3.51Å; S597-V606 PolarHBondContact N-O 3.48Å; S597-V606 WeakPolarHBondContact O-CB 3.35Å; S597-V606 PolarHBondContact O-N 3.31Å; S597-D679 PolarHBondContact OG-OD1 2.8Å
598	T	94.6	Very high	89.5	Confident	80 Å²	80	70.2 Å²	70.2	49%	0.491	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	122.1	175.2	-62.9	0	0	0	0	110.5	L600	T598-L600 PolarHBondContact O-N 2.85Å
599	C	95.4	Very high	89.4	Confident	0 Å²	0	71.1 Å²	71.1	0%	0	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-64.1	128.3	177.7	178	0	0	0	0	111.8	L601 C602 K603 R604 V606 D679 C681	C599-L601 VanDerWaalsContact C-N 3.3Å; C599-L601 PolarHBondContact O-N 3.14Å; C599-C602 VanDerWaalsContact CB-SG 3.54Å; C599-K603 WeakPolarHBondContact O-CA 3.47Å; C599-K603 PolarHBondContact O-N 3.37Å; C599-R604 PolarHBondContact N-O 3.05Å; C599-V606 HydrophobicContact CB-CG2 3.93Å; C599-D679 CarbonylContact C-O 3.57Å; C599-D679 WeakPolarHBondContact CA-O 3.2Å; C599-C681 HydrophobicContact CB-CB 4.22Å; C599-C681 PolarHBondContact SG-N 3.39Å
600	L	95	Very high	89.5	Confident	26 Å²	26	65.3 Å²	65.3	14%	0.136	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-40.7	-179.6	-178.1	68.6	0	0	0	113.3	L549 I553 T598 K603 M614 I616 R678 D679 I680	L549-L600 HydrophobicContact CD2-CD2 4.48Å; I553-L600 HydrophobicContact CD1-CD1 4.45Å; I553-L600 HydrophobicContact CD1-CD2 4.26Å; I553-L600 HydrophobicContact CD1-CG 3.98Å; T598-L600 PolarHBondContact O-N 2.85Å; L600-K603 WeakPolarHBondContact O-CD 3.3Å; L600-K603 WeakPolarHBondContact O-CE 3.24Å; L600-K603 PolarHBondContact O-NZ 3.34Å; L600-M614 HydrophobicContact CD2-CE 4.23Å; L600-I616 HydrophobicContact CD2-CD1 3.59Å; L600-R678 HydrophobicContact CB-CB 4.32Å; L600-R678 HydrophobicContact CD1-CB 4.48Å; L600-R678 HydrophobicContact CD1-CG 4.31Å; L600-R678 HydrophobicContact CD2-CB 3.96Å; L600-R678 HydrophobicContact CD2-CG 4.16Å; L600-R678 HydrophobicContact CG-CB 4.49Å; L600-D679 PolarHBondContact N-O 3.29Å; L600-I680 HydrophobicContact CB-CG1 4.14Å
601	L	94.8	Very high	89.5	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-69.9	-176.7	-81.3	68.9	0	0	0	111.6	I553 R556 C599 K603 I680 C684 F687 V688	I553-L601 HydrophobicContact CG1-CB 4.43Å; I553-L601 HydrophobicContact CG1-CD1 4.03Å; I553-L601 HydrophobicContact CG1-CG 3.79Å; R556-L601 HydrophobicContact CB-CB 4.16Å; R556-L601 HydrophobicContact CB-CD2 4.02Å; R556-L601 HydrophobicContact CG-CB 4.09Å; R556-L601 HydrophobicContact CG-CD2 4.1Å; C599-L601 VanDerWaalsContact C-N 3.3Å; C599-L601 PolarHBondContact O-N 3.14Å; L601-K603 VanDerWaalsContact C-N 3.25Å; L601-K603 PolarHBondContact O-N 3.02Å; L601-I680 HydrophobicContact CD1-CD1 3.78Å; L601-I680 HydrophobicContact CD1-CG1 4.34Å; L601-C684 HydrophobicContact CB-CB 4.34Å; L601-C684 HydrophobicContact CD2-CB 4.33Å; L601-F687 HydrophobicContact CD2-CD1 3.8Å; L601-F687 HydrophobicContact CD2-CE1 3.96Å; L601-V688 HydrophobicContact CD1-CG2 4.22Å; L601-V688 HydrophobicContact CD2-CG2 3.42Å; L601-V688 VanDerWaalsContact CD2-CG2 3.42Å; L601-V688 HydrophobicContact CG-CG2 4.47Å
602	C	94	Very high	89.7	Confident	2 Å²	2	62.4 Å²	62.4	1%	0.014	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-5.3	-172	68	0	0	0	0	114.9	V560 C599 R604	V560-C602 HydrophobicContact CB-CB 3.83Å; V560-C602 HydrophobicContact CG1-CB 3.84Å; V560-C602 HydrophobicContact CG2-CB 3.64Å; C599-C602 VanDerWaalsContact CB-SG 3.54Å; C602-R604 HydrophobicContact CB-CG 4.3Å; C602-R604 WeakPolarHBondContact O-CG 3.45Å; C602-R604 PolarHBondContact O-N 3.38Å
603	K	94.1	Very high	90.4	Very high	99 Å²	99	58.5 Å²	58.5	43%	0.43	32%	0.32	S	S	.	.			trans	54.2	28.4	-177.5	-49.2	-58.4	-172.4	-167.2	0	114	C599 L600 L601	C599-K603 WeakPolarHBondContact O-CA 3.47Å; C599-K603 PolarHBondContact O-N 3.37Å; L600-K603 WeakPolarHBondContact O-CD 3.3Å; L600-K603 WeakPolarHBondContact O-CE 3.24Å; L600-K603 PolarHBondContact O-NZ 3.34Å; L601-K603 VanDerWaalsContact C-N 3.25Å; L601-K603 PolarHBondContact O-N 3.02Å
604	R	93.9	Very high	91	Very high	52 Å²	52	49.1 Å²	49.1	20%	0.196	28%	0.279	C	S	.	.			trans	-103.7	155	177.3	-54.5	-49.7	-179.6	126	8.2	112.4	V560 M564 C584 C599 C602 V606	V560-R604 HydrophobicContact CG1-CG 4.13Å; M564-R604 PolarHBondContact SD-NH1 3.15Å; M564-R604 PolarHBondContact SD-NH2 3.08Å; M564-R604 VanDerWaalsContact SD-NH2 3.38Å; C584-R604 HydrophobicContact CB-CB 3.83Å; C599-R604 PolarHBondContact N-O 3.05Å; C602-R604 HydrophobicContact CB-CG 4.3Å; C602-R604 WeakPolarHBondContact O-CG 3.45Å; C602-R604 PolarHBondContact O-N 3.38Å; R604-V606 WeakPolarHBondContact O-CG2 3.23Å
605	S	94.8	Very high	91.7	Very high	21 Å²	21	48.2 Å²	48.2	15%	0.147	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	138.7	177.4	-51	0	0	0	0	112.2	G580 C584 S597	G580-S605 VanDerWaalsContact CA-OG 3.23Å; G580-S605 WeakPolarHBondContact CA-OG 3.47Å; C584-S605 PolarHBondContact N-O 3.03Å; S597-S605 CarbonylContact O-C 3.51Å
606	V	94.4	Very high	92.1	Very high	2 Å²	2	36.8 Å²	36.8	1%	0.012	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	141.8	-172.1	-161.7	0	0	0	0	109.6	S597 C599 R604 C610 C681	S597-V606 PolarHBondContact N-O 3.48Å; S597-V606 WeakPolarHBondContact O-CB 3.35Å; S597-V606 PolarHBondContact O-N 3.31Å; C599-V606 HydrophobicContact CB-CG2 3.93Å; R604-V606 WeakPolarHBondContact O-CG2 3.23Å; V606-C610 VanDerWaalsContact CG1-C 3.44Å; V606-C610 HydrophobicContact CG1-CB 3.54Å; V606-C610 WeakPolarHBondContact CG1-O 3.28Å; V606-C681 HydrophobicContact CG1-CB 3.95Å; V606-C681 HydrophobicContact CG2-CB 3.7Å
607	C	92.1	Very high	92.2	Very high	24 Å²	24	34.9 Å²	34.9	16%	0.162	21%	0.214	C	C	.	.			trans	-79.5	156.3	170.1	60.1	0	0	0	0	111.3	C583 F590 S609 C610 S611	C583-C607 HydrophobicContact CB-CB 4.35Å; C583-C607 PolarHBondContact SG-N 3.13Å; C583-C607 VanDerWaalsContact SG-N 3.41Å; F590-C607 HydrophobicContact CE1-CB 3.91Å; C607-S609 PolarHBondContact O-N 2.57Å; C607-S609 PolarHBondContact SG-OG 2.62Å; C607-S609 VanDerWaalsContact SG-OG 3.34Å; C607-C610 PolarHBondContact O-N 2.79Å; C607-C610 VanDerWaalsContact SG-SG 3.67Å; C607-S611 PolarHBondContact O-N 3.4Å; C607-S611 VanDerWaalsContact O-N 3.15Å; C607-S611 PolarHBondContact O-OG 3.06Å
608	G	87.4	Confident	91.7	Very high	64 Å²	64	35.6 Å²	35.6	66%	0.66	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-24.7	-178.6	0	0	0	0	0	115.3	S611	G608-S611 WeakPolarHBondContact CA-OG 3.5Å; G608-S611 PolarHBondContact O-OG 2.93Å
609	S	87.7	Confident	91	Very high	112 Å²	112	36.9 Å²	36.9	78%	0.783	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-9.8	175.4	52.7	0	0	0	0	114.6	C607	C607-S609 PolarHBondContact O-N 2.57Å; C607-S609 PolarHBondContact SG-OG 2.62Å; C607-S609 VanDerWaalsContact SG-OG 3.34Å
610	C	91.9	Very high	89.4	Confident	21 Å²	21	46.9 Å²	46.9	14%	0.142	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.3	0.3	174.5	-67.5	0	0	0	0	113.2	C585 V606 C607 C681 A682	C585-C610 HydrophobicContact CB-CB 4.34Å; V606-C610 VanDerWaalsContact CG1-C 3.44Å; V606-C610 HydrophobicContact CG1-CB 3.54Å; V606-C610 WeakPolarHBondContact CG1-O 3.28Å; C607-C610 PolarHBondContact O-N 2.79Å; C607-C610 VanDerWaalsContact SG-SG 3.67Å; C610-C681 CarbonylContact O-C 3.56Å; C610-C681 VanDerWaalsContact O-CA 3.31Å; C610-C681 WeakPolarHBondContact O-CA 3.46Å; C610-A682 PolarHBondContact O-N 2.9Å
611	S	90.5	Very high	87.8	Confident	30 Å²	30	49.1 Å²	49.1	21%	0.21	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	133.5	175.1	55.5	0	0	0	0	112.3	C607 G608 I680	C607-S611 PolarHBondContact O-N 3.4Å; C607-S611 VanDerWaalsContact O-N 3.15Å; C607-S611 PolarHBondContact O-OG 3.06Å; G608-S611 WeakPolarHBondContact CA-OG 3.5Å; G608-S611 PolarHBondContact O-OG 2.93Å; S611-I680 CarbonylContact C-O 3.56Å; S611-I680 WeakPolarHBondContact CA-O 3.33Å
612	A	91.3	Very high	86.1	Confident	33 Å²	33	53.3 Å²	53.3	27%	0.273	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	157.4	166.4	0	0	0	0	0	110.4	D679 I680 T685	A612-D679 CarbonylContact O-C 3.26Å; A612-D679 WeakPolarHBondContact O-CA 3.17Å; A612-I680 PolarHBondContact N-O 2.91Å; A612-I680 PolarHBondContact O-N 3.01Å; A612-T685 HydrophobicContact CB-CG2 4.27Å
613	K	90.7	Very high	85.3	Confident	88 Å²	88	59.3 Å²	59.3	38%	0.383	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	124.4	175.5	-63.6	-63.6	-168.6	-176.5	0	110.6	H632 L677 R678 D679	K613-H632 HydrophobicContact CB-CB 4.04Å; K613-H632 PolarHBondContact O-N 3.24Å; K613-L677 HydrophobicContact CD-CB 4.48Å; K613-R678 WeakPolarHBondContact CA-O 3.5Å; K613-D679 WeakPolarHBondContact CE-OD1 3.44Å; K613-D679 IonicContact NZ-OD1 2.8Å; K613-D679 PolarHBondContact NZ-OD1 3.09Å; K613-D679 IonicContact NZ-OD2 2.7Å; K613-D679 PolarHBondContact NZ-OD2 2.77Å
614	M	91.4	Very high	84.9	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	136.2	172.4	-164.7	179.1	83.1	0	0	110.3	L549 L600 I616 V629 G630 F631 L677 R678 I680 V688	L549-M614 HydrophobicContact CD1-CE 3.84Å; L549-M614 HydrophobicContact CD2-CE 4.26Å; L600-M614 HydrophobicContact CD2-CE 4.23Å; M614-I616 HydrophobicContact CE-CD1 3.77Å; M614-I616 HydrophobicContact CE-CG1 3.54Å; M614-V629 HydrophobicContact CE-CB 3.92Å; M614-V629 HydrophobicContact CE-CG1 4.17Å; M614-V629 HydrophobicContact CE-CG2 3.72Å; M614-V629 HydrophobicContact CG-CB 4.41Å; M614-V629 HydrophobicContact CG-CG2 4.18Å; M614-V629 HydrophobicContact SD-CB 4.12Å; M614-V629 HydrophobicContact SD-CG2 3.45Å; M614-V629 WeakPolarHBondContact SD-CG2 3.49Å; M614-G630 CarbonylContact C-O 3.49Å; M614-G630 WeakPolarHBondContact CA-O 3.14Å; M614-G630 WeakPolarHBondContact CG-O 3.42Å; M614-F631 HydrophobicContact CB-CD1 4.16Å; M614-F631 HydrophobicContact CB-CE1 4.14Å; M614-F631 HydrophobicContact CG-CD1 4.09Å; M614-F631 HydrophobicContact CG-CE1 3.92Å; M614-F631 HydrophobicContact SD-CE1 4.19Å; M614-F631 HydrophobicContact SD-CZ 4.4Å; M614-L677 WeakPolarHBondContact O-CA 3.44Å; M614-R678 PolarHBondContact N-O 3.42Å; M614-R678 PolarHBondContact O-N 3.03Å; M614-I680 HydrophobicContact CB-CD1 3.51Å; M614-I680 HydrophobicContact CB-CG1 4.16Å; M614-I680 HydrophobicContact CE-CD1 3.81Å; M614-I680 HydrophobicContact CG-CD1 3.98Å; M614-I680 HydrophobicContact SD-CD1 3.27Å; M614-I680 WeakPolarHBondContact SD-CD1 3.11Å; M614-V688 HydrophobicContact SD-CG1 3.86Å
615	K	91	Very high	84.7	Confident	28 Å²	28	54.5 Å²	54.5	12%	0.122	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	126.2	173.5	-62.9	178.3	173.4	-165.4	0	109.8	G630 S662 V663 E664 Y671 C675 L677	K615-G630 PolarHBondContact N-O 2.76Å; K615-G630 PolarHBondContact O-N 3.46Å; K615-S662 PolarHBondContact NZ-OG 3Å; K615-V663 HydrophobicContact CB-CG2 4.34Å; K615-V663 HydrophobicContact CD-CG2 4.03Å; K615-E664 WeakPolarHBondContact CD-OE1 3.39Å; K615-E664 WeakPolarHBondContact CD-OE2 3.29Å; K615-E664 VanDerWaalsContact CE-OE1 3.32Å; K615-E664 WeakPolarHBondContact CE-OE1 3.35Å; K615-E664 IonicContact NZ-OE1 3.12Å; K615-E664 PolarHBondContact NZ-OE1 3.39Å; K615-E664 IonicContact NZ-OE2 2.66Å; K615-E664 PolarHBondContact NZ-OE2 3.23Å; K615-Y671 PolarHBondContact O-OH 2.87Å; K615-Y671 VanDerWaalsContact O-OH 3.13Å; K615-C675 HydrophobicContact CB-CB 4.41Å; K615-L677 HydrophobicContact CB-CD2 4.43Å; K615-L677 HydrophobicContact CG-CD2 3.73Å
616	I	90.5	Very high	84.4	Confident	11 Å²	11	53.5 Å²	53.5	6%	0.056	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	141.3	175.8	-58.7	161.1	0	0	0	107.9	L549 L600 M614 S618 I624 C675 T676 R678	L549-I616 HydrophobicContact CD2-CD1 3.8Å; L549-I616 HydrophobicContact CD2-CG1 3.99Å; L549-I616 HydrophobicContact CD2-CG2 3.96Å; L600-I616 HydrophobicContact CD2-CD1 3.59Å; M614-I616 HydrophobicContact CE-CD1 3.77Å; M614-I616 HydrophobicContact CE-CG1 3.54Å; I616-S618 PolarHBondContact O-N 3.38Å; I616-I624 HydrophobicContact CG2-CD1 3.7Å; I616-C675 CarbonylContact O-C 3.57Å; I616-C675 VanDerWaalsContact O-CA 3.23Å; I616-C675 WeakPolarHBondContact O-CA 3.33Å; I616-C675 WeakPolarHBondContact O-CB 3.45Å; I616-T676 PolarHBondContact N-O 3.22Å; I616-T676 PolarHBondContact O-N 2.93Å; I616-R678 HydrophobicContact CD1-CB 4.04Å; I616-R678 HydrophobicContact CD1-CG 3.53Å
617	P	88.9	Confident	84	Confident	5 Å²	5	55 Å²	55	3%	0.032	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-51.6	138.8	174	-28.2	36.9	0	0	0	112.6	K619 I624 L670 Y671	P617-K619 VanDerWaalsContact C-N 3.35Å; P617-I624 HydrophobicContact CG-CG2 4.43Å; P617-L670 HydrophobicContact CG-CB 4.24Å; P617-Y671 HydrophobicContact CB-CD1 4.46Å; P617-Y671 HydrophobicContact CB-CE1 4.35Å; P617-Y671 HydrophobicContact CG-CD1 4.29Å; P617-Y671 HydrophobicContact CG-CE1 3.86Å; P617-Y671 HydrophobicContact CG-CE2 4.09Å
618	S	82.3	Confident	83.9	Confident	49 Å²	49	53.8 Å²	53.8	34%	0.343	31%	0.309	S	S	.	.	S	Bend	trans	-76.7	-20.2	179.2	-69.4	0	0	0	0	113.8	I616 K620 H673 G674 C675 T676	I616-S618 PolarHBondContact O-N 3.38Å; S618-K620 PolarHBondContact O-N 2.6Å; S618-H673 VanDerWaalsContact CB-O 3.29Å; S618-H673 WeakPolarHBondContact CB-O 3.44Å; S618-G674 WeakPolarHBondContact CB-O 3.3Å; S618-G674 PolarHBondContact N-O 3.23Å; S618-G674 VanDerWaalsContact OG-C 3.28Å; S618-G674 PolarHBondContact OG-O 3.12Å; S618-C675 WeakPolarHBondContact OG-CA 3.15Å; S618-C675 PolarHBondContact OG-N 2.94Å; S618-C675 PolarHBondContact OG-O 3.22Å; S618-T676 PolarHBondContact OG-N 2.89Å
619	K	78	Confident	84	Confident	107 Å²	107	50.8 Å²	50.8	47%	0.465	28%	0.277	S	S	.	.	S	Bend	trans	-67.9	128.9	177.7	-167.3	178.7	-167.1	163.1	0	109.7	P617 M621	P617-K619 VanDerWaalsContact C-N 3.35Å; K619-M621 VanDerWaalsContact C-N 3.31Å; K619-M621 HydrophobicContact CB-CG 4.47Å; K619-M621 HydrophobicContact CD-CG 4.33Å; K619-M621 HydrophobicContact CG-CG 4.32Å; K619-M621 PolarHBondContact O-N 3.4Å
620	K	62.4	Low	83.9	Confident	211 Å²	211	45.8 Å²	45.8	92%	0.917	24%	0.244	S	C	*	.			trans	-69.2	89.6	169.1	-69	-176	-177.9	177.7	0	109.4	S618	S618-K620 PolarHBondContact O-N 2.6Å
621	M	61	Low	83.7	Confident	73 Å²	73	46.4 Å²	46.4	36%	0.36	24%	0.244	S	C	.	.			trans	-89.7	145.2	164.6	-62.2	174.3	66.4	0	0	108.2	K619 H623 I624 L670	K619-M621 VanDerWaalsContact C-N 3.31Å; K619-M621 HydrophobicContact CB-CG 4.47Å; K619-M621 HydrophobicContact CD-CG 4.33Å; K619-M621 HydrophobicContact CG-CG 4.32Å; K619-M621 PolarHBondContact O-N 3.4Å; M621-H623 PolarHBondContact O-N 2.83Å; M621-I624 HydrophobicContact CB-CG1 4.2Å; M621-L670 HydrophobicContact CE-CD2 3.94Å; M621-L670 HydrophobicContact SD-CD2 3.92Å
622	A	60.2	Low	83.1	Confident	88 Å²	88	48.7 Å²	48.7	73%	0.727	25%	0.251	S	S	*	.	S	Bend	trans	-61.3	-33.2	177.6	0	0	0	0	0	111.9
623	H	76.2	Confident	81.8	Confident	127 Å²	127	50.6 Å²	50.6	59%	0.588	26%	0.263	S	S	*	.			trans	-136.9	123.6	179.7	-61.9	-72.2	0	0	0	108.7	T548 M621	T548-H623 HydrophobicContact CG2-CB 3.72Å; M621-H623 PolarHBondContact O-N 2.83Å
624	I	87.1	Confident	79.9	Confident	26 Å²	26	50.5 Å²	50.5	13%	0.133	27%	0.269	C	S	.	.			trans	-106.1	113.8	173.5	-62.6	177.8	0	0	0	107.3	T548 L549 I616 P617 M621 V629	T548-I624 CarbonylContact C-O 3.38Å; T548-I624 WeakPolarHBondContact CA-O 3.38Å; L549-I624 HydrophobicContact CB-CB 4.36Å; L549-I624 PolarHBondContact N-O 2.79Å; I616-I624 HydrophobicContact CG2-CD1 3.7Å; P617-I624 HydrophobicContact CG-CG2 4.43Å; M621-I624 HydrophobicContact CB-CG1 4.2Å; I624-V629 HydrophobicContact CG2-CG1 4.23Å
625	P	88.3	Confident	77.5	Confident	24 Å²	24	56.6 Å²	56.6	16%	0.156	31%	0.309	C	S	.	.	B	Isolated β-bridge	trans	-66.9	136.1	-179.2	-21.4	33.1	0	0	0	112.1	A546 Y627 T628	A546-P625 HydrophobicContact CB-CB 4.16Å; P625-Y627 VanDerWaalsContact C-N 3.29Å; P625-Y627 HydrophobicContact CB-CD1 3.83Å; P625-Y627 HydrophobicContact CB-CE1 3.41Å; P625-Y627 VanDerWaalsContact CB-CE1 3.41Å; P625-Y627 HydrophobicContact CG-CE1 4.28Å; P625-Y627 PolarHBondContact O-N 3.15Å; P625-T628 HydrophobicContact CB-CG2 4.14Å; P625-T628 HydrophobicContact CG-CG2 4.42Å; P625-T628 WeakPolarHBondContact O-CB 3.35Å; P625-T628 PolarHBondContact O-N 2.9Å; P625-T628 VanDerWaalsContact O-N 3.14Å; P625-T628 PolarHBondContact O-OG1 3.48Å
626	V	89.4	Confident	75	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-57.3	-39	-174.2	63.3	0	0	0	0	113.1	L547 I552 T628 V629 V691 I692 S695	L547-V626 HydrophobicContact CB-CG1 4.12Å; L547-V626 WeakPolarHBondContact O-CB 3.5Å; L547-V626 VanDerWaalsContact O-CG1 3.23Å; L547-V626 WeakPolarHBondContact O-CG1 3.2Å; L547-V626 PolarHBondContact O-N 3.2Å; I552-V626 HydrophobicContact CD1-CB 4.05Å; I552-V626 HydrophobicContact CD1-CG2 3.41Å; I552-V626 VanDerWaalsContact CD1-CG2 3.41Å; V626-T628 PolarHBondContact O-N 3.28Å; V626-V629 WeakPolarHBondContact O-CG2 3.36Å; V626-V629 PolarHBondContact O-N 2.6Å; V626-V629 VanDerWaalsContact O-N 3.13Å; V626-V691 HydrophobicContact CB-CG1 4.43Å; V626-V691 HydrophobicContact CG1-CG1 3.84Å; V626-V691 HydrophobicContact CG2-CG1 3.88Å; V626-I692 HydrophobicContact CG2-CG1 3.94Å; V626-S695 WeakPolarHBondContact CG1-OG 3.38Å
627	Y	86.7	Confident	72.4	Confident	33 Å²	33	66.6 Å²	66.6	13%	0.129	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-62.7	-17.1	-176.3	64.6	-100.1	0	0	0	114	A546 P625 F667 R696 L699	A546-Y627 HydrophobicContact CB-CD1 4.34Å; A546-Y627 HydrophobicContact CB-CE1 3.76Å; P625-Y627 VanDerWaalsContact C-N 3.29Å; P625-Y627 HydrophobicContact CB-CD1 3.83Å; P625-Y627 HydrophobicContact CB-CE1 3.41Å; P625-Y627 VanDerWaalsContact CB-CE1 3.41Å; P625-Y627 HydrophobicContact CG-CE1 4.28Å; P625-Y627 PolarHBondContact O-N 3.15Å; Y627-F667 HydrophobicContact CD2-CE1 4.05Å; Y627-F667 AromaticContact CD2-CZ 3.73Å; Y627-F667 HydrophobicContact CD2-CZ 3.73Å; Y627-F667 AromaticContact CE2-CE1 3.83Å; Y627-F667 HydrophobicContact CE2-CE1 3.83Å; Y627-F667 HydrophobicContact CE2-CZ 4.02Å; Y627-R696 PolarHBondContact O-NE 2.93Å; Y627-R696 PolarHBondContact O-NH2 3.36Å; Y627-L699 HydrophobicContact CD2-CD2 4.32Å; Y627-L699 HydrophobicContact CE2-CD2 4.22Å
628	T	88.1	Confident	69.7	Low	0 Å²	0	75.7 Å²	75.7	0%	0	41%	0.411	C	S	.	.	G	3₁₀ helix	trans	-83.4	-18.2	-179.9	69.2	0	0	0	0	113.7	P625 V626 F667 L670 Y671	P625-T628 HydrophobicContact CB-CG2 4.14Å; P625-T628 HydrophobicContact CG-CG2 4.42Å; P625-T628 WeakPolarHBondContact O-CB 3.35Å; P625-T628 PolarHBondContact O-N 2.9Å; P625-T628 VanDerWaalsContact O-N 3.14Å; P625-T628 PolarHBondContact O-OG1 3.48Å; V626-T628 PolarHBondContact O-N 3.28Å; T628-F667 HydrophobicContact CG2-CD1 4.35Å; T628-F667 HydrophobicContact CG2-CD2 4.43Å; T628-F667 HydrophobicContact CG2-CE1 4.43Å; T628-F667 HydrophobicContact CG2-CG 4.36Å; T628-L670 HydrophobicContact CG2-CD1 3.47Å; T628-L670 VanDerWaalsContact CG2-CD1 3.47Å; T628-Y671 WeakPolarHBondContact O-CE2 3.34Å; T628-Y671 PolarHBondContact O-OH 3.08Å; T628-Y671 VanDerWaalsContact O-OH 3.06Å
629	V	89.5	Confident	67.8	Low	1 Å²	1	81.5 Å²	81.5	1%	0.006	43%	0.433	C	S	.	.			trans	-82.1	144.1	-176.5	-45.2	0	0	0	0	111.2	L549 M614 I624 V626 V688 I692	L549-V629 HydrophobicContact CD2-CG1 4.43Å; M614-V629 HydrophobicContact CE-CB 3.92Å; M614-V629 HydrophobicContact CE-CG1 4.17Å; M614-V629 HydrophobicContact CE-CG2 3.72Å; M614-V629 HydrophobicContact CG-CB 4.41Å; M614-V629 HydrophobicContact CG-CG2 4.18Å; M614-V629 HydrophobicContact SD-CB 4.12Å; M614-V629 HydrophobicContact SD-CG2 3.45Å; M614-V629 WeakPolarHBondContact SD-CG2 3.49Å; I624-V629 HydrophobicContact CG2-CG1 4.23Å; V626-V629 WeakPolarHBondContact O-CG2 3.36Å; V626-V629 PolarHBondContact O-N 2.6Å; V626-V629 VanDerWaalsContact O-N 3.13Å; V629-V688 HydrophobicContact CG2-CG1 4.11Å; V629-I692 HydrophobicContact CG2-CD1 3.85Å; V629-I692 HydrophobicContact CG2-CG1 4.44Å; V629-I692 WeakPolarHBondContact O-CD1 3.22Å
630	G	87.2	Confident	65.7	Low	7 Å²	7	84.4 Å²	84.4	7%	0.072	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	171.9	-176.1	0	0	0	0	0	113.6	M614 K615	M614-G630 CarbonylContact C-O 3.49Å; M614-G630 WeakPolarHBondContact CA-O 3.14Å; M614-G630 WeakPolarHBondContact CG-O 3.42Å; K615-G630 PolarHBondContact N-O 2.76Å; K615-G630 PolarHBondContact O-N 3.46Å
631	F	86.9	Confident	64.4	Low	34 Å²	34	84 Å²	84	15%	0.149	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	142.4	176.3	-66.6	-76.2	0	0	0	111.8	M614 S633 L655 T685 V688 A689 I692	M614-F631 HydrophobicContact CB-CD1 4.16Å; M614-F631 HydrophobicContact CB-CE1 4.14Å; M614-F631 HydrophobicContact CG-CD1 4.09Å; M614-F631 HydrophobicContact CG-CE1 3.92Å; M614-F631 HydrophobicContact SD-CE1 4.19Å; M614-F631 HydrophobicContact SD-CZ 4.4Å; F631-S633 PolarHBondContact O-N 3Å; F631-S633 VanDerWaalsContact O-N 3.11Å; F631-L655 HydrophobicContact CB-CD2 4.37Å; F631-L655 HydrophobicContact CD1-CD2 4.42Å; F631-L655 HydrophobicContact CD2-CD2 3.42Å; F631-L655 VanDerWaalsContact CD2-CD2 3.42Å; F631-L655 HydrophobicContact CE2-CD2 3.7Å; F631-L655 HydrophobicContact CG-CD2 3.81Å; F631-L655 HydrophobicContact CZ-CD2 4.31Å; F631-T685 HydrophobicContact CD1-CG2 4.2Å; F631-T685 HydrophobicContact CE1-CG2 3.75Å; F631-T685 HydrophobicContact CZ-CG2 4.09Å; F631-V688 HydrophobicContact CE2-CG1 4.31Å; F631-V688 HydrophobicContact CZ-CB 4.02Å; F631-V688 HydrophobicContact CZ-CG1 3.73Å; F631-A689 HydrophobicContact CE2-CB 4.17Å; F631-I692 HydrophobicContact CE2-CD1 4.06Å
632	H	79	Confident	63.7	Low	77 Å²	77	92.7 Å²	92.7	36%	0.356	47%	0.474	S	S	.	.			trans	-81.9	91.4	179.6	-173.5	-63.3	0	0	0	111.3	K613 T634 L677	K613-H632 HydrophobicContact CB-CB 4.04Å; K613-H632 PolarHBondContact O-N 3.24Å; H632-T634 WeakPolarHBondContact ND1-CG2 3.44Å; H632-T634 PolarHBondContact O-N 3.32Å; H632-L677 HydrophobicContact CB-CD2 4.12Å
633	S	63.9	Low	62.2	Low	74 Å²	74	94.1 Å²	94.1	52%	0.517	48%	0.479	S	S	.	.			trans	-63.9	95	168.2	-70.7	0	0	0	0	110.8	F631 P635 S659	F631-S633 PolarHBondContact O-N 3Å; F631-S633 VanDerWaalsContact O-N 3.11Å; S633-P635 VanDerWaalsContact O-CD 3.31Å; S633-P635 WeakPolarHBondContact O-CD 3.49Å; S633-S659 PolarHBondContact OG-OG 3.43Å
634	T	49.8	Very low	60.3	Low	86 Å²	86	93.5 Å²	93.5	53%	0.528	49%	0.486	S	S	.	.			trans	-71	119.6	170.7	55.8	0	0	0	0	110	H632 K636	H632-T634 WeakPolarHBondContact ND1-CG2 3.44Å; H632-T634 PolarHBondContact O-N 3.32Å; T634-K636 VanDerWaalsContact C-N 3.32Å; T634-K636 PolarHBondContact O-N 2.77Å
635	P	40.2	Very low	57.9	Low	128 Å²	128	104.2 Å²	104.2	83%	0.831	53%	0.525	S	S	*	.			trans	-72.6	87.9	170.6	30.4	-33.4	0	0	0	109.2	S633 G637	S633-P635 VanDerWaalsContact O-CD 3.31Å; S633-P635 WeakPolarHBondContact O-CD 3.49Å; P635-G637 VanDerWaalsContact C-N 3.35Å; P635-G637 PolarHBondContact O-N 3.12Å
636	K	40.1	Very low	55.4	Low	188 Å²	188	109.6 Å²	109.6	82%	0.817	56%	0.557	S	S	*	*			trans	-76.2	88.4	173.9	-75.4	-160.4	172.5	-166.6	0	110.4	T634	T634-K636 VanDerWaalsContact C-N 3.32Å; T634-K636 PolarHBondContact O-N 2.77Å
637	G	35.4	Very low	52.8	Low	60 Å²	60	119 Å²	119	62%	0.619	60%	0.598	S	S	*	*			trans	-62.6	169.4	154.3	0	0	0	0	0	111.7	P635	P635-G637 VanDerWaalsContact C-N 3.35Å; P635-G637 PolarHBondContact O-N 3.12Å
638	H	32.8	Very low	50.4	Low	196 Å²	196	128.5 Å²	128.5	91%	0.907	63%	0.634	S	S	*	*			trans	62	111.2	-173.3	-74.1	-81.6	0	0	0	116.8
639	E	41.3	Very low	48.4	Very low	172 Å²	172	132.1 Å²	132.1	80%	0.804	66%	0.659	S	S	*	*			trans	-63	145.9	152.7	-52.9	-174.4	101	0	0	110.4
640	H	34.4	Very low	46.3	Very low	168 Å²	168	143 Å²	143	78%	0.778	70%	0.7	S	S	*	*				-173.7	149.4	118.2	-100.8	-15.8	0	0	0	114.6
641	K	35.4	Very low	44.3	Very low	201 Å²	201	144.6 Å²	144.6	87%	0.874	71%	0.71	S	S	*	*			trans	64.2	149.6	164	-66.3	179.9	-179.7	178.4	0	117.9
642	R	45.3	Very low	42.6	Very low	256 Å²	256	148.4 Å²	148.4	97%	0.966	73%	0.728	S	S	*	*			trans	-97.7	145.5	-163.5	-63.7	172.7	175.4	164.6	-2.8	111.7
643	S	28.9	Very low	41.2	Very low	118 Å²	118	152.6 Å²	152.6	83%	0.825	75%	0.745	S	S	*	*			trans	-147.6	145.4	160.4	-167.4	0	0	0	0	108.5
644	P	36.1	Very low	40.6	Very low	114 Å²	114	150.4 Å²	150.4	74%	0.74	73%	0.73	S	S	*	*			trans	-85.9	141.9	-151.9	31	-35.4	0	0	0	116.6	V646	P644-V646 PolarHBondContact O-N 2.66Å
645	R	37.7	Very low	40.8	Very low	251 Å²	251	148.6 Å²	148.6	95%	0.947	72%	0.717	S	S	*	*			trans	32.5	65.3	151.9	-68.2	-174.9	172	177.8	-1.8	118.3
646	V	35.2	Very low	41.5	Very low	137 Å²	137	151.8 Å²	151.8	83%	0.83	71%	0.713	S	S	*	*			trans	-86.3	129.3	140.3	179.6	0	0	0	0	107.7	P644 R648	P644-V646 PolarHBondContact O-N 2.66Å; V646-R648 PolarHBondContact O-N 2.93Å; V646-R648 VanDerWaalsContact O-N 3.08Å
647	K	34.2	Very low	42.2	Very low	199 Å²	199	147.6 Å²	147.6	87%	0.865	70%	0.703	S	S	*	*			trans	-60.2	112.3	-178.3	-68.4	-178.6	179.5	179.1	0	110.1	S649	K647-S649 PolarHBondContact O-N 3.37Å
648	R	37.9	Very low	43.3	Very low	232 Å²	232	146.1 Å²	146.1	88%	0.875	68%	0.681	S	S	*	*			trans	-59.1	105.9	167.7	-83	-179.6	168.5	153.3	-4.8	108.1	V646	V646-R648 PolarHBondContact O-N 2.93Å; V646-R648 VanDerWaalsContact O-N 3.08Å
649	S	45.7	Very low	44.3	Very low	75 Å²	75	139.4 Å²	139.4	52%	0.524	66%	0.655	S	S	.	*			trans	-95.7	171	-166.3	65.8	0	0	0	0	113.3	K647 S651 Q652	K647-S649 PolarHBondContact O-N 3.37Å; S649-S651 PolarHBondContact O-N 2.95Å; S649-S651 PolarHBondContact OG-OG 3.48Å; S649-S651 VanDerWaalsContact OG-OG 3.12Å; S649-Q652 PolarHBondContact O-N 2.96Å
650	R	44.3	Very low	44.9	Very low	229 Å²	229	141.5 Å²	141.5	86%	0.864	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.6	-18.4	-177.1	-153	169.8	177.7	177.2	-3.5	113.6	Q652 K653	R650-Q652 PolarHBondContact O-N 3.09Å; R650-K653 PolarHBondContact O-N 3.15Å; R650-K653 VanDerWaalsContact O-N 3.15Å
651	S	46.4	Very low	46.3	Very low	42 Å²	42	139.9 Å²	139.9	29%	0.294	65%	0.649	S	S	.	*	H	α-helix	trans	-58.9	-38.4	-179.3	56.6	0	0	0	0	114.6	S649 K653 S654 L655	S649-S651 PolarHBondContact O-N 2.95Å; S649-S651 PolarHBondContact OG-OG 3.48Å; S649-S651 VanDerWaalsContact OG-OG 3.12Å; S651-K653 PolarHBondContact O-N 3.07Å; S651-K653 VanDerWaalsContact O-N 3.16Å; S651-S654 PolarHBondContact O-N 3.23Å; S651-L655 PolarHBondContact O-N 2.97Å; S651-L655 VanDerWaalsContact O-N 3.14Å
652	Q	50.2	Low	48.3	Very low	113 Å²	113	132.1 Å²	132.1	53%	0.528	62%	0.619	S	S	.	*	H	α-helix	trans	-67.9	-11.5	178.4	-87.8	-168	-42	0	0	113.7	S649 R650 R656	S649-Q652 PolarHBondContact O-N 2.96Å; R650-Q652 PolarHBondContact O-N 3.09Å; Q652-R656 WeakPolarHBondContact O-CD 3.17Å; Q652-R656 VanDerWaalsContact O-CG 3.27Å; Q652-R656 WeakPolarHBondContact O-CG 3.4Å
653	K	50	Low	50.1	Low	165 Å²	165	120.2 Å²	120.2	72%	0.717	58%	0.575	S	S	*	*	H	α-helix	trans	-83.4	-48.8	170.6	-66.5	-168.7	175.7	-171.7	0	111.6	R650 S651 L655 R656 T657	R650-K653 PolarHBondContact O-N 3.15Å; R650-K653 VanDerWaalsContact O-N 3.15Å; S651-K653 PolarHBondContact O-N 3.07Å; S651-K653 VanDerWaalsContact O-N 3.16Å; K653-L655 PolarHBondContact O-N 3.41Å; K653-R656 WeakPolarHBondContact O-CB 3.37Å; K653-R656 PolarHBondContact O-N 3.06Å; K653-T657 PolarHBondContact O-N 3.3Å; K653-T657 PolarHBondContact O-OG1 2.98Å
654	S	50.3	Low	52.7	Low	28 Å²	28	117.3 Å²	117.3	20%	0.196	55%	0.549	C	S	.	.	H	α-helix	trans	-60.6	-41.4	178.7	178.9	0	0	0	0	112.6	S651 R656 T657 L658	S651-S654 PolarHBondContact O-N 3.23Å; S654-R656 VanDerWaalsContact C-N 3.29Å; S654-R656 PolarHBondContact O-N 3.13Å; S654-T657 WeakPolarHBondContact CA-OG1 3.38Å; S654-T657 PolarHBondContact O-N 3.2Å; S654-T657 PolarHBondContact O-OG1 3.17Å; S654-L658 PolarHBondContact O-N 3.4Å
655	L	54.6	Low	55	Low	48 Å²	48	118.4 Å²	118.4	25%	0.251	54%	0.544	S	S	.	.	H	α-helix	trans	-67	-25.9	174.5	-68.3	174.2	0	0	0	113.6	F631 S651 K653 S659 T685 A689	F631-L655 HydrophobicContact CB-CD2 4.37Å; F631-L655 HydrophobicContact CD1-CD2 4.42Å; F631-L655 HydrophobicContact CD2-CD2 3.42Å; F631-L655 VanDerWaalsContact CD2-CD2 3.42Å; F631-L655 HydrophobicContact CE2-CD2 3.7Å; F631-L655 HydrophobicContact CG-CD2 3.81Å; F631-L655 HydrophobicContact CZ-CD2 4.31Å; S651-L655 PolarHBondContact O-N 2.97Å; S651-L655 VanDerWaalsContact O-N 3.14Å; K653-L655 PolarHBondContact O-N 3.41Å; L655-S659 WeakPolarHBondContact O-CB 3.29Å; L655-S659 PolarHBondContact O-N 2.91Å; L655-T685 HydrophobicContact CD1-CG2 4.01Å; L655-T685 HydrophobicContact CD2-CG2 4.05Å; L655-A689 HydrophobicContact CD2-CB 4.13Å
656	R	55.2	Low	57.1	Low	196 Å²	196	110 Å²	110	74%	0.74	52%	0.515	S	S	*	.	H	α-helix	trans	-75.3	-33.2	175.7	-83	178.6	175.7	-153.4	-2.2	112.5	Q652 K653 S654 S659	Q652-R656 WeakPolarHBondContact O-CD 3.17Å; Q652-R656 VanDerWaalsContact O-CG 3.27Å; Q652-R656 WeakPolarHBondContact O-CG 3.4Å; K653-R656 WeakPolarHBondContact O-CB 3.37Å; K653-R656 PolarHBondContact O-N 3.06Å; S654-R656 VanDerWaalsContact C-N 3.29Å; S654-R656 PolarHBondContact O-N 3.13Å; R656-S659 PolarHBondContact O-N 3.2Å
657	T	55.1	Low	59.5	Low	100 Å²	100	105 Å²	105	61%	0.613	48%	0.483	S	S	*	.	H	α-helix	trans	-67.7	-35.1	173.6	30.7	0	0	0	0	112.5	K653 S654 S659	K653-T657 PolarHBondContact O-N 3.3Å; K653-T657 PolarHBondContact O-OG1 2.98Å; S654-T657 WeakPolarHBondContact CA-OG1 3.38Å; S654-T657 PolarHBondContact O-N 3.2Å; S654-T657 PolarHBondContact O-OG1 3.17Å; T657-S659 VanDerWaalsContact C-N 3.34Å
658	L	57.4	Low	61.9	Low	29 Å²	29	98.5 Å²	98.5	15%	0.152	46%	0.461	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-5.9	174.7	-63.2	179.7	0	0	0	114.6	S654 A689 I692	S654-L658 PolarHBondContact O-N 3.4Å; L658-A689 HydrophobicContact CD1-CB 3.72Å; L658-I692 HydrophobicContact CD1-CB 4.14Å; L658-I692 HydrophobicContact CD1-CD1 4.26Å; L658-I692 HydrophobicContact CD1-CG2 4.08Å; L658-I692 HydrophobicContact CD2-CB 4.47Å; L658-I692 HydrophobicContact CD2-CG2 3.68Å
659	S	54	Low	64	Low	54 Å²	54	94.9 Å²	94.9	38%	0.378	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.8	22.2	-177.2	-177.3	0	0	0	0	112.2	S633 L655 R656 T657	S633-S659 PolarHBondContact OG-OG 3.43Å; L655-S659 WeakPolarHBondContact O-CB 3.29Å; L655-S659 PolarHBondContact O-N 2.91Å; R656-S659 PolarHBondContact O-N 3.2Å; T657-S659 VanDerWaalsContact C-N 3.34Å
660	R	55	Low	65.7	Low	216 Å²	216	93.1 Å²	93.1	82%	0.815	44%	0.438	S	S	*	.	S	Bend	trans	-80.4	-37.1	-172.7	-137.1	176.5	-175.2	172.5	-1.2	113
661	H	62.4	Low	67.8	Low	135 Å²	135	82.9 Å²	82.9	63%	0.625	40%	0.399	S	S	*	.	S	Bend	trans	-122.2	162.6	160.6	-54.7	147.5	0	0	0	107.9
662	S	77.8	Confident	69.7	Low	37 Å²	37	84.4 Å²	84.4	26%	0.259	41%	0.414	S	S	.	.			trans	-79	143.8	173.8	-150.4	0	0	0	0	110	K615 E664 E665 E666	K615-S662 PolarHBondContact NZ-OG 3Å; S662-E664 PolarHBondContact O-N 2.99Å; S662-E664 PolarHBondContact OG-OE2 3.04Å; S662-E665 WeakPolarHBondContact CB-OE2 3.33Å; S662-E665 PolarHBondContact N-OE2 3.49Å; S662-E665 WeakPolarHBondContact O-CA 3.44Å; S662-E665 WeakPolarHBondContact O-CB 3.37Å; S662-E665 PolarHBondContact O-N 3.04Å; S662-E666 PolarHBondContact O-N 3.44Å
663	V	83.9	Confident	71.3	Confident	7 Å²	7	84.6 Å²	84.6	4%	0.042	42%	0.415	C	S	.	.	H	α-helix	trans	-66.1	-21.9	178.5	-68.3	0	0	0	0	112.9	K615 E665 F667 Y671	K615-V663 HydrophobicContact CB-CG2 4.34Å; K615-V663 HydrophobicContact CD-CG2 4.03Å; V663-E665 VanDerWaalsContact C-N 3.32Å; V663-F667 HydrophobicContact CB-CD2 4.48Å; V663-F667 PolarHBondContact O-N 3.44Å; V663-Y671 HydrophobicContact CB-CE2 3.81Å; V663-Y671 HydrophobicContact CG2-CD2 4.49Å; V663-Y671 HydrophobicContact CG2-CE1 4.43Å; V663-Y671 HydrophobicContact CG2-CE2 3.67Å; V663-Y671 WeakPolarHBondContact CG2-OH 3.46Å; V663-Y671 VanDerWaalsContact O-CD2 3.31Å; V663-Y671 WeakPolarHBondContact O-CD2 3.41Å
664	E	84	Confident	73.1	Confident	57 Å²	57	78.4 Å²	78.4	27%	0.266	40%	0.398	S	S	.	.	H	α-helix	trans	-71.1	-23.5	169.3	-60.5	97.8	136.9	0	0	113.7	K615 S662 P668 Y671	K615-E664 WeakPolarHBondContact CD-OE1 3.39Å; K615-E664 WeakPolarHBondContact CD-OE2 3.29Å; K615-E664 VanDerWaalsContact CE-OE1 3.32Å; K615-E664 WeakPolarHBondContact CE-OE1 3.35Å; K615-E664 IonicContact NZ-OE1 3.12Å; K615-E664 PolarHBondContact NZ-OE1 3.39Å; K615-E664 IonicContact NZ-OE2 2.66Å; K615-E664 PolarHBondContact NZ-OE2 3.23Å; S662-E664 PolarHBondContact O-N 2.99Å; S662-E664 PolarHBondContact OG-OE2 3.04Å; E664-P668 WeakPolarHBondContact O-CA 3.36Å; E664-Y671 HydrophobicContact CB-CG 4.37Å; E664-Y671 HydrophobicContact CG-CD1 3.93Å; E664-Y671 HydrophobicContact CG-CD2 4.3Å; E664-Y671 HydrophobicContact CG-CG 3.75Å
665	E	83.3	Confident	74.9	Confident	136 Å²	136	79.2 Å²	79.2	64%	0.636	40%	0.403	S	S	*	.	H	α-helix	trans	-86.9	-34	174.3	-61.1	161.6	168	0	0	110.9	S662 V663	S662-E665 WeakPolarHBondContact CB-OE2 3.33Å; S662-E665 PolarHBondContact N-OE2 3.49Å; S662-E665 WeakPolarHBondContact O-CA 3.44Å; S662-E665 WeakPolarHBondContact O-CB 3.37Å; S662-E665 PolarHBondContact O-N 3.04Å; V663-E665 VanDerWaalsContact C-N 3.32Å
666	E	81.9	Confident	76.6	Confident	74 Å²	74	79.4 Å²	79.4	35%	0.346	41%	0.406	S	S	.	.	H	α-helix	trans	-78.3	-33.5	179.6	-165.4	177.8	-163.6	0	0	112.8	S662 P668 R696	S662-E666 PolarHBondContact O-N 3.44Å; E666-P668 VanDerWaalsContact C-CD 3.5Å; E666-R696 IonicContact OE1-CZ 2.71Å; E666-R696 VanDerWaalsContact OE1-CZ 3.29Å; E666-R696 IonicContact OE1-NH1 3.12Å; E666-R696 PolarHBondContact OE1-NH1 2.88Å; E666-R696 IonicContact OE1-NH2 2.69Å; E666-R696 IonicContact OE2-CZ 3.77Å; E666-R696 IonicContact OE2-NH1 2.84Å; E666-R696 PolarHBondContact OE2-NH1 3.02Å; E666-R696 IonicContact OE2-NH2 2.81Å; E666-R696 PolarHBondContact OE2-NH2 2.69Å
667	F	86	Confident	78.4	Confident	34 Å²	34	73.7 Å²	73.7	15%	0.149	39%	0.39	C	S	.	.	S	Bend	trans	-131.5	57.4	-180	-52.2	-73	0	0	0	112.6	Y627 T628 V663 H669 L670 Y671	Y627-F667 HydrophobicContact CD2-CE1 4.05Å; Y627-F667 AromaticContact CD2-CZ 3.73Å; Y627-F667 HydrophobicContact CD2-CZ 3.73Å; Y627-F667 AromaticContact CE2-CE1 3.83Å; Y627-F667 HydrophobicContact CE2-CE1 3.83Å; Y627-F667 HydrophobicContact CE2-CZ 4.02Å; T628-F667 HydrophobicContact CG2-CD1 4.35Å; T628-F667 HydrophobicContact CG2-CD2 4.43Å; T628-F667 HydrophobicContact CG2-CE1 4.43Å; T628-F667 HydrophobicContact CG2-CG 4.36Å; V663-F667 HydrophobicContact CB-CD2 4.48Å; V663-F667 PolarHBondContact O-N 3.44Å; F667-H669 PolarHBondContact O-N 3.17Å; F667-H669 VanDerWaalsContact O-N 3.15Å; F667-L670 HydrophobicContact CB-CB 4.25Å; F667-L670 HydrophobicContact CB-CD1 3.96Å; F667-L670 HydrophobicContact CB-CG 4.17Å; F667-L670 HydrophobicContact CG-CD1 4.35Å; F667-L670 PolarHBondContact O-N 2.98Å; F667-Y671 HydrophobicContact CB-CD2 4.25Å; F667-Y671 PolarHBondContact O-N 2.81Å
668	P	84	Confident	80.2	Confident	62 Å²	62	75.1 Å²	75.1	40%	0.403	38%	0.384	S	S	.	.	H	α-helix	trans	-60	-32.8	-171.5	24	-33.9	0	0	0	112.8	E664 E666 L670 Y671 A672	E664-P668 WeakPolarHBondContact O-CA 3.36Å; E666-P668 VanDerWaalsContact C-CD 3.5Å; P668-L670 VanDerWaalsContact C-N 3.32Å; P668-L670 PolarHBondContact O-N 2.97Å; P668-Y671 CarbonylContact O-C 3.57Å; P668-Y671 PolarHBondContact O-N 3.16Å; P668-A672 WeakPolarHBondContact O-CA 3.16Å; P668-A672 WeakPolarHBondContact O-CB 3.27Å; P668-A672 PolarHBondContact O-N 3.38Å
669	H	82.4	Confident	81.9	Confident	155 Å²	155	75.3 Å²	75.3	72%	0.718	39%	0.385	S	S	*	.	H	α-helix	trans	-64.8	-32.8	177.8	-18.6	-73.7	0	0	0	113	F667	F667-H669 PolarHBondContact O-N 3.17Å; F667-H669 VanDerWaalsContact O-N 3.15Å
670	L	82.4	Confident	83.8	Confident	39 Å²	39	72.8 Å²	72.8	20%	0.204	37%	0.368	C	S	.	.	H	α-helix	trans	-79.7	-38.7	178.3	-57.9	-176.4	0	0	0	111	P617 M621 T628 F667 P668	P617-L670 HydrophobicContact CG-CB 4.24Å; M621-L670 HydrophobicContact CE-CD2 3.94Å; M621-L670 HydrophobicContact SD-CD2 3.92Å; T628-L670 HydrophobicContact CG2-CD1 3.47Å; T628-L670 VanDerWaalsContact CG2-CD1 3.47Å; F667-L670 HydrophobicContact CB-CB 4.25Å; F667-L670 HydrophobicContact CB-CD1 3.96Å; F667-L670 HydrophobicContact CB-CG 4.17Å; F667-L670 HydrophobicContact CG-CD1 4.35Å; F667-L670 PolarHBondContact O-N 2.98Å; P668-L670 VanDerWaalsContact C-N 3.32Å; P668-L670 PolarHBondContact O-N 2.97Å
671	Y	87.9	Confident	85.7	Confident	13 Å²	13	62.6 Å²	62.6	5%	0.051	33%	0.329	C	S	.	.	H	α-helix	trans	-89.8	2.8	-178.4	-74.7	-75.5	0	0	0	114.7	K615 P617 T628 V663 E664 F667 P668 H673 G674 C675	K615-Y671 PolarHBondContact O-OH 2.87Å; K615-Y671 VanDerWaalsContact O-OH 3.13Å; P617-Y671 HydrophobicContact CB-CD1 4.46Å; P617-Y671 HydrophobicContact CB-CE1 4.35Å; P617-Y671 HydrophobicContact CG-CD1 4.29Å; P617-Y671 HydrophobicContact CG-CE1 3.86Å; P617-Y671 HydrophobicContact CG-CE2 4.09Å; T628-Y671 WeakPolarHBondContact O-CE2 3.34Å; T628-Y671 PolarHBondContact O-OH 3.08Å; T628-Y671 VanDerWaalsContact O-OH 3.06Å; V663-Y671 HydrophobicContact CB-CE2 3.81Å; V663-Y671 HydrophobicContact CG2-CD2 4.49Å; V663-Y671 HydrophobicContact CG2-CE1 4.43Å; V663-Y671 HydrophobicContact CG2-CE2 3.67Å; V663-Y671 WeakPolarHBondContact CG2-OH 3.46Å; V663-Y671 VanDerWaalsContact O-CD2 3.31Å; V663-Y671 WeakPolarHBondContact O-CD2 3.41Å; E664-Y671 HydrophobicContact CB-CG 4.37Å; E664-Y671 HydrophobicContact CG-CD1 3.93Å; E664-Y671 HydrophobicContact CG-CD2 4.3Å; E664-Y671 HydrophobicContact CG-CG 3.75Å; F667-Y671 HydrophobicContact CB-CD2 4.25Å; F667-Y671 PolarHBondContact O-N 2.81Å; P668-Y671 CarbonylContact O-C 3.57Å; P668-Y671 PolarHBondContact O-N 3.16Å; Y671-H673 PolarHBondContact O-N 2.81Å; Y671-G674 WeakPolarHBondContact O-CA 3.39Å; Y671-G674 PolarHBondContact O-N 3.21Å; Y671-C675 HydrophobicContact CD1-CB 3.7Å; Y671-C675 HydrophobicContact CE1-CB 3.59Å
672	A	85.3	Confident	87	Confident	74 Å²	74	58.7 Å²	58.7	61%	0.612	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-23	177.8	0	0	0	0	0	114.5	P668	P668-A672 WeakPolarHBondContact O-CA 3.16Å; P668-A672 WeakPolarHBondContact O-CB 3.27Å; P668-A672 PolarHBondContact O-N 3.38Å
673	H	84.3	Confident	87.6	Confident	118 Å²	118	60.3 Å²	60.3	55%	0.546	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	17.8	174.6	-53.4	-73.5	0	0	0	113	S618 Y671	S618-H673 VanDerWaalsContact CB-O 3.29Å; S618-H673 WeakPolarHBondContact CB-O 3.44Å; Y671-H673 PolarHBondContact O-N 2.81Å
674	G	87.3	Confident	88.1	Confident	34 Å²	34	60 Å²	60	35%	0.351	32%	0.322	S	S	.	.			trans	80.7	-176.7	-174.8	0	0	0	0	0	114.2	S618 Y671	S618-G674 WeakPolarHBondContact CB-O 3.3Å; S618-G674 PolarHBondContact N-O 3.23Å; S618-G674 VanDerWaalsContact OG-C 3.28Å; S618-G674 PolarHBondContact OG-O 3.12Å; Y671-G674 WeakPolarHBondContact O-CA 3.39Å; Y671-G674 PolarHBondContact O-N 3.21Å
675	C	89.7	Confident	88.4	Confident	46 Å²	46	57.6 Å²	57.6	31%	0.311	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	156.4	174.9	70.5	0	0	0	0	112.7	K615 I616 S618 Y671	K615-C675 HydrophobicContact CB-CB 4.41Å; I616-C675 CarbonylContact O-C 3.57Å; I616-C675 VanDerWaalsContact O-CA 3.23Å; I616-C675 WeakPolarHBondContact O-CA 3.33Å; I616-C675 WeakPolarHBondContact O-CB 3.45Å; S618-C675 WeakPolarHBondContact OG-CA 3.15Å; S618-C675 PolarHBondContact OG-N 2.94Å; S618-C675 PolarHBondContact OG-O 3.22Å; Y671-C675 HydrophobicContact CD1-CB 3.7Å; Y671-C675 HydrophobicContact CE1-CB 3.59Å
676	T	90.3	Very high	88.6	Confident	52 Å²	52	56.7 Å²	56.7	32%	0.319	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	142.2	164.3	65.4	0	0	0	0	110.2	I616 S618	I616-T676 PolarHBondContact N-O 3.22Å; I616-T676 PolarHBondContact O-N 2.93Å; S618-T676 PolarHBondContact OG-N 2.89Å
677	L	91.4	Very high	89.1	Confident	76 Å²	76	55.2 Å²	55.2	40%	0.398	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	126.3	174.4	-64	-178.8	0	0	0	110.5	K613 M614 K615 H632	K613-L677 HydrophobicContact CD-CB 4.48Å; M614-L677 WeakPolarHBondContact O-CA 3.44Å; K615-L677 HydrophobicContact CB-CD2 4.43Å; K615-L677 HydrophobicContact CG-CD2 3.73Å; H632-L677 HydrophobicContact CB-CD2 4.12Å
678	R	92.8	Very high	89.3	Confident	130 Å²	130	53.6 Å²	53.6	49%	0.491	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	143.8	176.6	-62	-62.5	-168.9	147.1	6.2	111.7	L600 K613 M614 I616	L600-R678 HydrophobicContact CB-CB 4.32Å; L600-R678 HydrophobicContact CD1-CB 4.48Å; L600-R678 HydrophobicContact CD1-CG 4.31Å; L600-R678 HydrophobicContact CD2-CB 3.96Å; L600-R678 HydrophobicContact CD2-CG 4.16Å; L600-R678 HydrophobicContact CG-CB 4.49Å; K613-R678 WeakPolarHBondContact CA-O 3.5Å; M614-R678 PolarHBondContact N-O 3.42Å; M614-R678 PolarHBondContact O-N 3.03Å; I616-R678 HydrophobicContact CD1-CB 4.04Å; I616-R678 HydrophobicContact CD1-CG 3.53Å
679	D	93.7	Very high	89.5	Confident	33 Å²	33	50.7 Å²	50.7	18%	0.176	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	134.4	176.2	-64.7	-89.6	0	0	0	111.8	S597 C599 L600 A612 K613	S597-D679 PolarHBondContact OG-OD1 2.8Å; C599-D679 CarbonylContact C-O 3.57Å; C599-D679 WeakPolarHBondContact CA-O 3.2Å; L600-D679 PolarHBondContact N-O 3.29Å; A612-D679 CarbonylContact O-C 3.26Å; A612-D679 WeakPolarHBondContact O-CA 3.17Å; K613-D679 WeakPolarHBondContact CE-OD1 3.44Å; K613-D679 IonicContact NZ-OD1 2.8Å; K613-D679 PolarHBondContact NZ-OD1 3.09Å; K613-D679 IonicContact NZ-OD2 2.7Å; K613-D679 PolarHBondContact NZ-OD2 2.77Å
680	I	94.8	Very high	89.6	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.005	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	138.4	176	-58.7	-171.2	0	0	0	108.4	L600 L601 S611 A612 M614 C684	L600-I680 HydrophobicContact CB-CG1 4.14Å; L601-I680 HydrophobicContact CD1-CD1 3.78Å; L601-I680 HydrophobicContact CD1-CG1 4.34Å; S611-I680 CarbonylContact C-O 3.56Å; S611-I680 WeakPolarHBondContact CA-O 3.33Å; A612-I680 PolarHBondContact N-O 2.91Å; A612-I680 PolarHBondContact O-N 3.01Å; M614-I680 HydrophobicContact CB-CD1 3.51Å; M614-I680 HydrophobicContact CB-CG1 4.16Å; M614-I680 HydrophobicContact CE-CD1 3.81Å; M614-I680 HydrophobicContact CG-CD1 3.98Å; M614-I680 HydrophobicContact SD-CD1 3.27Å; M614-I680 WeakPolarHBondContact SD-CD1 3.11Å; I680-C684 HydrophobicContact CG2-CB 3.41Å; I680-C684 VanDerWaalsContact CG2-CB 3.41Å
681	C	94.1	Very high	89.9	Confident	1 Å²	1	45.5 Å²	45.5	1%	0.007	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	156.7	177.5	79.5	0	0	0	0	111.8	C585 C599 V606 C610 E683 C684 T685	C585-C681 VanDerWaalsContact SG-CB 3.56Å; C585-C681 VanDerWaalsContact SG-SG 3.68Å; C599-C681 HydrophobicContact CB-CB 4.22Å; C599-C681 PolarHBondContact SG-N 3.39Å; V606-C681 HydrophobicContact CG1-CB 3.95Å; V606-C681 HydrophobicContact CG2-CB 3.7Å; C610-C681 CarbonylContact O-C 3.56Å; C610-C681 VanDerWaalsContact O-CA 3.31Å; C610-C681 WeakPolarHBondContact O-CA 3.46Å; C681-E683 PolarHBondContact O-N 3.22Å; C681-E683 VanDerWaalsContact O-N 3.15Å; C681-C684 CarbonylContact O-C 3.58Å; C681-C684 PolarHBondContact O-N 2.81Å; C681-C684 PolarHBondContact SG-N 2.78Å; C681-C684 VanDerWaalsContact SG-N 3.42Å; C681-C684 PolarHBondContact SG-SG 3.49Å; C681-T685 WeakPolarHBondContact O-CB 3.27Å; C681-T685 PolarHBondContact O-N 2.61Å; C681-T685 PolarHBondContact O-OG1 3.35Å
682	A	89.8	Confident	89.9	Confident	53 Å²	53	45 Å²	45	44%	0.438	25%	0.248	S	C	.	.	H	α-helix	trans	-55.1	-35.2	-176.4	0	0	0	0	0	114.1	C610 T685 K686	C610-A682 PolarHBondContact O-N 2.9Å; A682-T685 WeakPolarHBondContact O-CB 3.46Å; A682-T685 PolarHBondContact O-N 3.23Å; A682-K686 PolarHBondContact O-N 3.27Å
683	E	90.1	Very high	89.8	Confident	71 Å²	71	43.1 Å²	43.1	33%	0.332	23%	0.231	S	C	.	.	H	α-helix	trans	-70.3	-46.2	175.9	-67.2	154.6	178	0	0	111.7	C585 C681 T685 K686 F687	C585-E683 PolarHBondContact SG-OE2 2.85Å; C681-E683 PolarHBondContact O-N 3.22Å; C681-E683 VanDerWaalsContact O-N 3.15Å; E683-T685 PolarHBondContact O-N 3.47Å; E683-K686 PolarHBondContact O-N 3.36Å; E683-F687 PolarHBondContact O-N 2.88Å
684	C	94	Very high	89.6	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-67.8	-26.4	175.5	-66.8	0	0	0	0	112	R556 L601 I680 C681 F687 V688	R556-C684 VanDerWaalsContact CG-SG 3.59Å; L601-C684 HydrophobicContact CB-CB 4.34Å; L601-C684 HydrophobicContact CD2-CB 4.33Å; I680-C684 HydrophobicContact CG2-CB 3.41Å; I680-C684 VanDerWaalsContact CG2-CB 3.41Å; C681-C684 CarbonylContact O-C 3.58Å; C681-C684 PolarHBondContact O-N 2.81Å; C681-C684 PolarHBondContact SG-N 2.78Å; C681-C684 VanDerWaalsContact SG-N 3.42Å; C681-C684 PolarHBondContact SG-SG 3.49Å; C684-F687 PolarHBondContact O-N 3.13Å; C684-V688 WeakPolarHBondContact O-CB 3.39Å; C684-V688 WeakPolarHBondContact O-CG2 3.29Å; C684-V688 PolarHBondContact O-N 2.85Å
685	T	91.6	Very high	89.4	Confident	7 Å²	7	40.1 Å²	40.1	4%	0.043	22%	0.218	C	C	.	.	H	α-helix	trans	-67	-42.4	173.6	-57.4	0	0	0	0	110.7	A612 F631 L655 C681 A682 E683 A689	A612-T685 HydrophobicContact CB-CG2 4.27Å; F631-T685 HydrophobicContact CD1-CG2 4.2Å; F631-T685 HydrophobicContact CE1-CG2 3.75Å; F631-T685 HydrophobicContact CZ-CG2 4.09Å; L655-T685 HydrophobicContact CD1-CG2 4.01Å; L655-T685 HydrophobicContact CD2-CG2 4.05Å; C681-T685 WeakPolarHBondContact O-CB 3.27Å; C681-T685 PolarHBondContact O-N 2.61Å; C681-T685 PolarHBondContact O-OG1 3.35Å; A682-T685 WeakPolarHBondContact O-CB 3.46Å; A682-T685 PolarHBondContact O-N 3.23Å; E683-T685 PolarHBondContact O-N 3.47Å; T685-A689 WeakPolarHBondContact O-CB 3.38Å; T685-A689 PolarHBondContact O-N 3.24Å
686	K	87.6	Confident	89	Confident	117 Å²	117	39.9 Å²	39.9	51%	0.509	21%	0.211	S	C	.	.	H	α-helix	trans	-61.6	-52.7	171.4	-173.9	-168.3	177.9	-67.5	0	110.5	A682 E683 V688 A689 D690	A682-K686 PolarHBondContact O-N 3.27Å; E683-K686 PolarHBondContact O-N 3.36Å; K686-V688 PolarHBondContact O-N 2.83Å; K686-A689 PolarHBondContact O-N 2.59Å; K686-A689 VanDerWaalsContact O-N 3.12Å; K686-D690 WeakPolarHBondContact CG-OD2 3.42Å; K686-D690 IonicContact NZ-OD2 2.77Å; K686-D690 PolarHBondContact NZ-OD2 2.99Å; K686-D690 PolarHBondContact O-N 3.33Å
687	F	91.6	Very high	88.4	Confident	43 Å²	43	42.7 Å²	42.7	19%	0.189	22%	0.215	C	C	.	.	H	α-helix	trans	-53	-48.4	179.2	170.7	-100.7	0	0	0	112.7	I552 V555 R556 L559 L601 E683 C684 D690 V691	I552-F687 HydrophobicContact CB-CE1 4.16Å; V555-F687 HydrophobicContact CG1-CZ 4.32Å; R556-F687 HydrophobicContact CB-CD1 4.15Å; R556-F687 HydrophobicContact CB-CE1 3.75Å; R556-F687 HydrophobicContact CB-CZ 4.23Å; R556-F687 HydrophobicContact CG-CD1 4.06Å; R556-F687 HydrophobicContact CG-CE1 4.18Å; L559-F687 HydrophobicContact CD1-CE2 4.33Å; L601-F687 HydrophobicContact CD2-CD1 3.8Å; L601-F687 HydrophobicContact CD2-CE1 3.96Å; E683-F687 PolarHBondContact O-N 2.88Å; C684-F687 PolarHBondContact O-N 3.13Å; F687-D690 PolarHBondContact O-N 3.04Å; F687-V691 HydrophobicContact CD2-CG2 4.4Å; F687-V691 HydrophobicContact CE1-CG2 4.46Å; F687-V691 HydrophobicContact CE2-CG2 4.11Å; F687-V691 HydrophobicContact CZ-CG2 4.14Å; F687-V691 VanDerWaalsContact O-CG2 3.29Å; F687-V691 WeakPolarHBondContact O-CG2 3.43Å; F687-V691 PolarHBondContact O-N 3.17Å
688	V	91.1	Very high	87.5	Confident	0 Å²	0	42 Å²	42	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-65.8	-41.7	177.6	171.6	0	0	0	0	111.7	I552 L601 M614 V629 F631 C684 K686 D690 V691 I692	I552-V688 HydrophobicContact CD1-CG2 4.18Å; L601-V688 HydrophobicContact CD1-CG2 4.22Å; L601-V688 HydrophobicContact CD2-CG2 3.42Å; L601-V688 VanDerWaalsContact CD2-CG2 3.42Å; L601-V688 HydrophobicContact CG-CG2 4.47Å; M614-V688 HydrophobicContact SD-CG1 3.86Å; V629-V688 HydrophobicContact CG2-CG1 4.11Å; F631-V688 HydrophobicContact CE2-CG1 4.31Å; F631-V688 HydrophobicContact CZ-CB 4.02Å; F631-V688 HydrophobicContact CZ-CG1 3.73Å; C684-V688 WeakPolarHBondContact O-CB 3.39Å; C684-V688 WeakPolarHBondContact O-CG2 3.29Å; C684-V688 PolarHBondContact O-N 2.85Å; K686-V688 PolarHBondContact O-N 2.83Å; V688-D690 VanDerWaalsContact C-N 3.34Å; V688-D690 PolarHBondContact O-N 2.91Å; V688-V691 PolarHBondContact O-N 3.01Å; V688-I692 HydrophobicContact CG1-CD1 3.61Å; V688-I692 HydrophobicContact CG1-CG1 4.14Å; V688-I692 WeakPolarHBondContact O-CB 3.23Å; V688-I692 WeakPolarHBondContact O-CG1 2.96Å; V688-I692 PolarHBondContact O-N 2.85Å
689	A	87.3	Confident	86.5	Confident	1 Å²	1	37.3 Å²	37.3	1%	0.008	20%	0.201	C	C	.	.	H	α-helix	trans	-62.4	-40.1	177.3	0	0	0	0	0	112.5	F631 L655 L658 T685 K686 S693	F631-A689 HydrophobicContact CE2-CB 4.17Å; L655-A689 HydrophobicContact CD2-CB 4.13Å; L658-A689 HydrophobicContact CD1-CB 3.72Å; T685-A689 WeakPolarHBondContact O-CB 3.38Å; T685-A689 PolarHBondContact O-N 3.24Å; K686-A689 PolarHBondContact O-N 2.59Å; K686-A689 VanDerWaalsContact O-N 3.12Å; A689-S693 WeakPolarHBondContact O-CB 3.49Å; A689-S693 PolarHBondContact O-N 3.32Å; A689-S693 PolarHBondContact O-OG 2.81Å
690	D	84.8	Confident	85.3	Confident	61 Å²	61	40 Å²	40	33%	0.326	22%	0.216	S	C	.	.	H	α-helix	trans	-68.2	-42.2	177.1	-57.5	-22	0	0	0	110.9	K686 F687 V688 S693 S694	K686-D690 WeakPolarHBondContact CG-OD2 3.42Å; K686-D690 IonicContact NZ-OD2 2.77Å; K686-D690 PolarHBondContact NZ-OD2 2.99Å; K686-D690 PolarHBondContact O-N 3.33Å; F687-D690 PolarHBondContact O-N 3.04Å; V688-D690 VanDerWaalsContact C-N 3.34Å; V688-D690 PolarHBondContact O-N 2.91Å; D690-S693 PolarHBondContact O-N 3.18Å; D690-S694 PolarHBondContact O-N 2.82Å
691	V	88.7	Confident	84.1	Confident	24 Å²	24	43.8 Å²	43.8	15%	0.145	24%	0.235	C	C	.	.	H	α-helix	trans	-63.7	-46.2	175	172.9	0	0	0	0	111.8	I552 V626 F687 V688 S693 S694 S695	I552-V691 HydrophobicContact CG2-CG1 4.32Å; V626-V691 HydrophobicContact CB-CG1 4.43Å; V626-V691 HydrophobicContact CG1-CG1 3.84Å; V626-V691 HydrophobicContact CG2-CG1 3.88Å; F687-V691 HydrophobicContact CD2-CG2 4.4Å; F687-V691 HydrophobicContact CE1-CG2 4.46Å; F687-V691 HydrophobicContact CE2-CG2 4.11Å; F687-V691 HydrophobicContact CZ-CG2 4.14Å; F687-V691 VanDerWaalsContact O-CG2 3.29Å; F687-V691 WeakPolarHBondContact O-CG2 3.43Å; F687-V691 PolarHBondContact O-N 3.17Å; V688-V691 PolarHBondContact O-N 3.01Å; V691-S693 VanDerWaalsContact C-N 3.29Å; V691-S693 PolarHBondContact O-N 2.59Å; V691-S694 PolarHBondContact O-N 3.06Å; V691-S695 PolarHBondContact O-N 3.32Å; V691-S695 PolarHBondContact O-OG 3.24Å
692	I	87.1	Confident	82.7	Confident	2 Å²	2	47.3 Å²	47.3	1%	0.01	25%	0.253	C	S	.	.	H	α-helix	trans	-55.9	-46.3	174.3	-68.5	162.9	0	0	0	110.4	V626 V629 F631 L658 V688 S694 S695 R696	V626-I692 HydrophobicContact CG2-CG1 3.94Å; V629-I692 HydrophobicContact CG2-CD1 3.85Å; V629-I692 HydrophobicContact CG2-CG1 4.44Å; V629-I692 WeakPolarHBondContact O-CD1 3.22Å; F631-I692 HydrophobicContact CE2-CD1 4.06Å; L658-I692 HydrophobicContact CD1-CB 4.14Å; L658-I692 HydrophobicContact CD1-CD1 4.26Å; L658-I692 HydrophobicContact CD1-CG2 4.08Å; L658-I692 HydrophobicContact CD2-CB 4.47Å; L658-I692 HydrophobicContact CD2-CG2 3.68Å; V688-I692 HydrophobicContact CG1-CD1 3.61Å; V688-I692 HydrophobicContact CG1-CG1 4.14Å; V688-I692 WeakPolarHBondContact O-CB 3.23Å; V688-I692 WeakPolarHBondContact O-CG1 2.96Å; V688-I692 PolarHBondContact O-N 2.85Å; I692-S694 VanDerWaalsContact C-N 3.28Å; I692-S694 PolarHBondContact O-N 3.22Å; I692-S695 PolarHBondContact O-N 2.75Å; I692-R696 HydrophobicContact CG2-CG 4.26Å; I692-R696 VanDerWaalsContact CG2-NE 3.33Å; I692-R696 WeakPolarHBondContact O-CB 3.22Å; I692-R696 VanDerWaalsContact O-CG 3.32Å; I692-R696 WeakPolarHBondContact O-CG 3.42Å; I692-R696 PolarHBondContact O-N 2.9Å
693	S	83.3	Confident	81.4	Confident	35 Å²	35	49 Å²	49	25%	0.245	26%	0.255	C	S	.	.	H	α-helix	trans	-64.2	-34.1	-178.7	-57.2	0	0	0	0	112.4	A689 D690 V691 R697	A689-S693 WeakPolarHBondContact O-CB 3.49Å; A689-S693 PolarHBondContact O-N 3.32Å; A689-S693 PolarHBondContact O-OG 2.81Å; D690-S693 PolarHBondContact O-N 3.18Å; V691-S693 VanDerWaalsContact C-N 3.29Å; V691-S693 PolarHBondContact O-N 2.59Å; S693-R697 WeakPolarHBondContact O-CB 3.41Å; S693-R697 PolarHBondContact O-N 3.44Å
694	S	81.9	Confident	80.1	Confident	69 Å²	69	51.8 Å²	51.8	48%	0.483	27%	0.272	S	S	.	.	H	α-helix	trans	-70.8	-53.8	173	-174.2	0	0	0	0	111.5	D690 V691 I692 R696 R697 S698	D690-S694 PolarHBondContact O-N 2.82Å; V691-S694 PolarHBondContact O-N 3.06Å; I692-S694 VanDerWaalsContact C-N 3.28Å; I692-S694 PolarHBondContact O-N 3.22Å; S694-R696 VanDerWaalsContact C-N 3.3Å; S694-R696 PolarHBondContact O-N 2.94Å; S694-R697 WeakPolarHBondContact O-CB 3.42Å; S694-R697 PolarHBondContact O-N 3.47Å; S694-S698 PolarHBondContact O-N 2.94Å; S694-S698 PolarHBondContact O-OG 3.42Å
695	S	81.9	Confident	78	Confident	21 Å²	21	55.4 Å²	55.4	15%	0.147	30%	0.295	C	S	.	.	H	α-helix	trans	-57.6	-39.9	-179.6	-61.3	0	0	0	0	113	V626 V691 I692 S698 L699	V626-S695 WeakPolarHBondContact CG1-OG 3.38Å; V691-S695 PolarHBondContact O-N 3.32Å; V691-S695 PolarHBondContact O-OG 3.24Å; I692-S695 PolarHBondContact O-N 2.75Å; S695-S698 PolarHBondContact O-N 2.8Å; S695-L699 WeakPolarHBondContact O-CB 3.33Å; S695-L699 PolarHBondContact O-N 2.86Å
696	R	81.3	Confident	75.7	Confident	40 Å²	40	61 Å²	61	15%	0.151	33%	0.331	C	S	.	.	H	α-helix	trans	-65.4	-44.4	174.5	-70.8	178.5	-178.6	-145.6	-2	111.9	Y627 E666 I692 S694 S698 L699 D700	Y627-R696 PolarHBondContact O-NE 2.93Å; Y627-R696 PolarHBondContact O-NH2 3.36Å; E666-R696 IonicContact OE1-CZ 2.71Å; E666-R696 VanDerWaalsContact OE1-CZ 3.29Å; E666-R696 IonicContact OE1-NH1 3.12Å; E666-R696 PolarHBondContact OE1-NH1 2.88Å; E666-R696 IonicContact OE1-NH2 2.69Å; E666-R696 IonicContact OE2-CZ 3.77Å; E666-R696 IonicContact OE2-NH1 2.84Å; E666-R696 PolarHBondContact OE2-NH1 3.02Å; E666-R696 IonicContact OE2-NH2 2.81Å; E666-R696 PolarHBondContact OE2-NH2 2.69Å; I692-R696 HydrophobicContact CG2-CG 4.26Å; I692-R696 VanDerWaalsContact CG2-NE 3.33Å; I692-R696 WeakPolarHBondContact O-CB 3.22Å; I692-R696 VanDerWaalsContact O-CG 3.32Å; I692-R696 WeakPolarHBondContact O-CG 3.42Å; I692-R696 PolarHBondContact O-N 2.9Å; S694-R696 VanDerWaalsContact C-N 3.3Å; S694-R696 PolarHBondContact O-N 2.94Å; R696-S698 VanDerWaalsContact C-N 3.33Å; R696-S698 PolarHBondContact O-N 3.27Å; R696-L699 WeakPolarHBondContact O-CB 3.29Å; R696-L699 PolarHBondContact O-N 3.42Å; R696-D700 PolarHBondContact O-N 3Å
697	R	78.1	Confident	73.7	Confident	112 Å²	112	63.5 Å²	63.5	42%	0.423	34%	0.342	S	S	.	.	H	α-helix	trans	-60.6	-41.2	176.4	-167.5	-170.7	-57.8	170.5	6.4	112	S693 S694 D700 I701	S693-R697 WeakPolarHBondContact O-CB 3.41Å; S693-R697 PolarHBondContact O-N 3.44Å; S694-R697 WeakPolarHBondContact O-CB 3.42Å; S694-R697 PolarHBondContact O-N 3.47Å; R697-D700 PolarHBondContact O-N 3.07Å; R697-I701 HydrophobicContact CG-CD1 4.24Å; R697-I701 WeakPolarHBondContact O-CD1 3.17Å; R697-I701 VanDerWaalsContact O-CG1 3.26Å; R697-I701 WeakPolarHBondContact O-CG1 3.44Å; R697-I701 PolarHBondContact O-N 2.82Å
698	S	71.9	Confident	71.1	Confident	60 Å²	60	71 Å²	71	42%	0.42	37%	0.369	S	S	.	.	H	α-helix	trans	-65.9	-40.8	175.8	-57.4	0	0	0	0	112.1	S694 S695 R696 I701 L702	S694-S698 PolarHBondContact O-N 2.94Å; S694-S698 PolarHBondContact O-OG 3.42Å; S695-S698 PolarHBondContact O-N 2.8Å; R696-S698 VanDerWaalsContact C-N 3.33Å; R696-S698 PolarHBondContact O-N 3.27Å; S698-I701 PolarHBondContact O-N 3.33Å; S698-L702 WeakPolarHBondContact O-CG 3.42Å; S698-L702 PolarHBondContact O-N 2.97Å
699	L	71.6	Confident	68.5	Low	33 Å²	33	78.8 Å²	78.8	17%	0.173	41%	0.405	C	S	.	.	H	α-helix	trans	-61.5	-43.8	173.6	177.8	63.5	0	0	0	111.7	V542 Y627 S695 R696 L702 N703	V542-L699 HydrophobicContact CG1-CD1 3.29Å; Y627-L699 HydrophobicContact CD2-CD2 4.32Å; Y627-L699 HydrophobicContact CE2-CD2 4.22Å; S695-L699 WeakPolarHBondContact O-CB 3.33Å; S695-L699 PolarHBondContact O-N 2.86Å; R696-L699 WeakPolarHBondContact O-CB 3.29Å; R696-L699 PolarHBondContact O-N 3.42Å; L699-L702 PolarHBondContact O-N 2.88Å; L699-N703 WeakPolarHBondContact CD1-ND2 3.32Å; L699-N703 WeakPolarHBondContact O-CB 3.27Å; L699-N703 VanDerWaalsContact O-CG 3.31Å; L699-N703 PolarHBondContact O-N 3Å; L699-N703 PolarHBondContact O-ND2 2.66Å
700	D	69.8	Low	66.2	Low	90 Å²	90	83 Å²	83	48%	0.481	44%	0.44	S	S	.	.	H	α-helix	trans	-62	-42.8	175.8	-66	-33.4	0	0	0	111.4	R696 R697 N703 N704	R696-D700 PolarHBondContact O-N 3Å; R697-D700 PolarHBondContact O-N 3.07Å; D700-N703 PolarHBondContact O-N 3.29Å; D700-N704 VanDerWaalsContact O-CB 3.3Å; D700-N704 WeakPolarHBondContact O-CB 3.48Å; D700-N704 PolarHBondContact O-N 2.9Å; D700-N704 PolarHBondContact O-ND2 3.27Å
701	I	69.8	Low	63.8	Low	80 Å²	80	89 Å²	89	41%	0.41	46%	0.463	S	S	.	.	H	α-helix	trans	-62.3	-42.7	176.5	-70.2	163	0	0	0	111.3	R697 S698 T705	R697-I701 HydrophobicContact CG-CD1 4.24Å; R697-I701 WeakPolarHBondContact O-CD1 3.17Å; R697-I701 VanDerWaalsContact O-CG1 3.26Å; R697-I701 WeakPolarHBondContact O-CG1 3.44Å; R697-I701 PolarHBondContact O-N 2.82Å; S698-I701 PolarHBondContact O-N 3.33Å; I701-T705 PolarHBondContact O-N 2.89Å; I701-T705 PolarHBondContact O-OG1 3.23Å
702	L	62.9	Low	61.1	Low	74 Å²	74	92.3 Å²	92.3	39%	0.387	49%	0.493	S	S	.	.	H	α-helix	trans	-71.2	-32.7	178.6	-70.4	170.2	0	0	0	113.6	L545 S698 L699 T705	L545-L702 HydrophobicContact CD1-CD1 3.9Å; S698-L702 WeakPolarHBondContact O-CG 3.42Å; S698-L702 PolarHBondContact O-N 2.97Å; L699-L702 PolarHBondContact O-N 2.88Å; L702-T705 WeakPolarHBondContact CA-OG1 3.47Å; L702-T705 PolarHBondContact O-OG1 3.37Å
703	N	63.8	Low	58.4	Low	89 Å²	89	97 Å²	97	48%	0.476	53%	0.532	S	S	.	.	H	α-helix	trans	-82	-29.5	178.5	-73.1	-25.7	0	0	0	113	L699 D700	L699-N703 WeakPolarHBondContact CD1-ND2 3.32Å; L699-N703 WeakPolarHBondContact O-CB 3.27Å; L699-N703 VanDerWaalsContact O-CG 3.31Å; L699-N703 PolarHBondContact O-N 3Å; L699-N703 PolarHBondContact O-ND2 2.66Å; D700-N703 PolarHBondContact O-N 3.29Å
704	N	62.3	Low	56	Low	129 Å²	129	104.2 Å²	104.2	69%	0.69	56%	0.561	S	S	*	*	H	α-helix	trans	-97.4	1.5	178.5	-65.5	-84.7	0	0	0	113.5	D700	D700-N704 VanDerWaalsContact O-CB 3.3Å; D700-N704 WeakPolarHBondContact O-CB 3.48Å; D700-N704 PolarHBondContact O-N 2.9Å; D700-N704 PolarHBondContact O-ND2 3.27Å
705	T	50.4	Low	53.4	Low	77 Å²	77	112 Å²	112	47%	0.472	58%	0.581	S	S	.	*	S	Bend	trans	-70.7	127.9	167.1	5.6	0	0	0	0	108.5	I701 L702 K707	I701-T705 PolarHBondContact O-N 2.89Å; I701-T705 PolarHBondContact O-OG1 3.23Å; L702-T705 WeakPolarHBondContact CA-OG1 3.47Å; L702-T705 PolarHBondContact O-OG1 3.37Å; T705-K707 PolarHBondContact O-N 3.15Å
706	P	42.4	Very low	51	Low	124 Å²	124	117 Å²	117	81%	0.805	61%	0.612	S	S	*	*			trans	-66.1	107	-175.9	25.4	-33.6	0	0	0	110.4	R708	P706-R708 PolarHBondContact O-N 2.9Å; P706-R708 VanDerWaalsContact O-N 3.14Å
707	K	45.8	Very low	48.4	Very low	169 Å²	169	124 Å²	124	74%	0.735	65%	0.647	S	S	*	*			trans	-60.6	116.4	171.9	-68.5	-176.6	179.5	-179.7	0	108.2	T705 E709	T705-K707 PolarHBondContact O-N 3.15Å; K707-E709 VanDerWaalsContact C-N 3.34Å; K707-E709 PolarHBondContact O-N 2.85Å
708	R	38.1	Very low	46	Very low	201 Å²	201	127 Å²	127	76%	0.758	67%	0.67	S	S	*	*			trans	-66.3	91.5	178	-165.9	-178	-159.5	177.9	10.4	109	D20 P706 A710	D20-R708 IonicContact OD1-NH2 2.79Å; P706-R708 PolarHBondContact O-N 2.9Å; P706-R708 VanDerWaalsContact O-N 3.14Å; R708-A710 PolarHBondContact O-N 3.41Å
709	E	36.5	Very low	44	Very low	164 Å²	164	132.9 Å²	132.9	77%	0.766	69%	0.691	S	S	*	*			trans	-55	122.7	176.3	-68.8	-169.7	148.8	0	0	109.8	K707 K711	K707-E709 VanDerWaalsContact C-N 3.34Å; K707-E709 PolarHBondContact O-N 2.85Å; E709-K711 PolarHBondContact O-N 3.33Å
710	A	38.2	Very low	41.9	Very low	88 Å²	88	143 Å²	143	73%	0.727	73%	0.727	S	S	*	*			trans	-72.9	80.3	175.4	0	0	0	0	0	109.2	R708 A712	R708-A710 PolarHBondContact O-N 3.41Å; A710-A712 PolarHBondContact O-N 2.85Å
711	K	33.5	Very low	40	Very low	188 Å²	188	147.5 Å²	147.5	82%	0.817	75%	0.745	S	S	*	*			trans	-51.4	113.6	176.4	-75.3	-175.6	176.5	177.5	0	109.5	E709 A713	E709-K711 PolarHBondContact O-N 3.33Å; K711-A713 PolarHBondContact O-N 3.19Å
712	A	33.1	Very low	38	Very low	94 Å²	94	148.8 Å²	148.8	78%	0.777	76%	0.761	S	S	*	*			trans	-59.3	126.4	173.7	0	0	0	0	0	109.1	A710 Q714	A710-A712 PolarHBondContact O-N 2.85Å; A712-Q714 PolarHBondContact O-N 2.94Å
713	A	30.1	Very low	36.3	Very low	99 Å²	99	152.6 Å²	152.6	82%	0.818	78%	0.782	S	S	*	*			trans	-65.8	109.6	-177.1	0	0	0	0	0	110.4	K711 R715	K711-A713 PolarHBondContact O-N 3.19Å; A713-R715 PolarHBondContact O-N 3.46Å
714	Q	31.8	Very low	34.5	Very low	187 Å²	187	156.3 Å²	156.3	87%	0.874	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-65.1	117.3	170.4	-71.1	-179.2	-17.5	0	0	108.8	A712	A712-Q714 PolarHBondContact O-N 2.94Å
715	R	27.5	Very low	32.8	Very low	234 Å²	234	158.3 Å²	158.3	88%	0.883	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-60.9	128.8	170	-87.7	178.6	162.5	169.4	-5.9	109.2	A713 Q717	A713-R715 PolarHBondContact O-N 3.46Å; R715-Q717 PolarHBondContact O-N 3.41Å
716	P	31.2	Very low	31.5	Very low	124 Å²	124	159.9 Å²	159.9	81%	0.805	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-59.7	130.7	167.9	-21.6	33.2	0	0	0	110.2
717	Q	27.3	Very low	30.6	Very low	189 Å²	189	159.1 Å²	159.1	88%	0.883	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-76	123.5	167.9	-73.1	-168.5	-8.8	0	0	109.3	R715 Q719	R715-Q717 PolarHBondContact O-N 3.41Å; Q717-Q719 PolarHBondContact O-N 2.87Å
718	L	28.6	Very low	29.9	Very low	174 Å²	174	157.1 Å²	157.1	91%	0.911	82%	0.822	S	S	*	*			trans	-76.5	106	170.6	-98.4	165.1	0	0	0	109.4	R720	L718-R720 PolarHBondContact O-N 3.4Å
719	Q	29.2	Very low	29.3	Very low	184 Å²	184	154.8 Å²	154.8	86%	0.86	82%	0.82	S	S	*	*			trans	-72.1	89.6	-176.7	-170.9	174.9	8.8	0	0	111	Q717 Q721	Q717-Q719 PolarHBondContact O-N 2.87Å; Q719-Q721 PolarHBondContact O-N 3.31Å
720	R	27.3	Very low	29.2	Very low	244 Å²	244	152.6 Å²	152.6	92%	0.921	82%	0.82	S	S	*	*			trans	-79.5	114.5	176.7	-165.1	173.6	-168.4	165.7	4.1	110.2	L718	L718-R720 PolarHBondContact O-N 3.4Å
721	Q	29.8	Very low	28.5	Very low	185 Å²	185	153.4 Å²	153.4	86%	0.864	81%	0.812	S	S	*	*			trans	-63.5	142.2	177.7	-70.4	174	-21.9	0	0	111.8	Q719	Q719-Q721 PolarHBondContact O-N 3.31Å
722	S	28.1	Very low	28.2	Very low	108 Å²	108	152.4 Å²	152.4	76%	0.755	81%	0.81	S	S	*	*			trans	-95	139.5	174.6	52.2	0	0	0	0	111.3
723	N	26.6	Very low	27.8	Very low	153 Å²	153	155 Å²	155	82%	0.818	81%	0.805	S	S	*	*			trans	-148.1	113.3	158.8	-99.4	-28.8	0	0	0	111.9
724	F	26.7	Very low	27.6	Very low	167 Å²	167	157.3 Å²	157.3	73%	0.732	80%	0.799	S	S	*	*			trans	47.4	116.3	145.1	-82.2	-93.7	0	0	0	123.2
725	E	26	Very low	27.2	Very low	172 Å²	172	156.5 Å²	156.5	80%	0.804	80%	0.795	S	S	*	*			trans	45	115.1	131	-62.7	-175.8	151	0	0	121.3
726	A	24.5	Very low	27.1	Very low	109 Å²	109	153.8 Å²	153.8	90%	0.901	79%	0.792	S	S	*	*				-165.3	155.7	98.6	0	0	0	0	0	111.2
727	S	23.8	Very low	27.7	Very low	109 Å²	109	153.1 Å²	153.1	76%	0.762	79%	0.788	S	S	*	*			trans	-129.6	153.8	168.8	-168	0	0	0	0	109
728	P	29.7	Very low	28.2	Very low	126 Å²	126	149.9 Å²	149.9	82%	0.818	78%	0.783	S	S	*	*				-142.7	164.7	104.1	38.1	-24.7	0	0	0	115.9
729	Q	26.3	Very low	28.1	Very low	153 Å²	153	146.5 Å²	146.5	72%	0.715	77%	0.774	S	S	*	*			trans	-79	173.4	167.7	-125.4	-175	10.5	0	0	110.9
730	P	33.5	Very low	28.1	Very low	118 Å²	118	143 Å²	143	77%	0.766	77%	0.77	S	S	*	*				-150.5	163.4	58	40	-18.3	0	0	0	120
731	N	24.3	Very low	28.2	Very low	104 Å²	104	139.1 Å²	139.1	56%	0.556	76%	0.762	S	S	*	*			trans	0.1	145.3	149.3	-54.6	-18.6	0	0	0	121.3
732	H	26.3	Very low	28.1	Very low	168 Å²	168	136.8 Å²	136.8	78%	0.778	76%	0.755	S	S	*	*				-167.5	166.9	93.3	-107.1	-83.2	0	0	0	114.7
733	H	25	Very low	28.2	Very low	147 Å²	147	139.4 Å²	139.4	68%	0.681	76%	0.755	S	S	*	*			trans	-74.4	171.4	-179.8	-51.2	-87.2	0	0	0	112.4
734	H	25.2	Very low	28.3	Very low	149 Å²	149	140.8 Å²	140.8	69%	0.69	75%	0.749	S	S	*	*				-177.5	163.4	54.2	-105.1	-63.8	0	0	0	114.3
735	H	25.3	Very low	28.4	Very low	169 Å²	169	137.4 Å²	137.4	78%	0.782	75%	0.746	S	S	*	*			trans	59.1	131.3	145.7	-71.6	-60.5	0	0	0	126.1
736	Q	24.9	Very low	28.5	Very low	177 Å²	177	135.9 Å²	135.9	83%	0.827	74%	0.739	S	S	*	*			trans	-85.4	178.2	154	-86.2	-179.1	-32	0	0	112.3
737	P	42.3	Very low	28.9	Very low	111 Å²	111	136.4 Å²	136.4	72%	0.721	73%	0.731	S	S	*	*			cis	-114.2	-96.7	-7.9	21.2	3.6	0	0	0	112.2
738	P	38.1	Very low	29.3	Very low	120 Å²	120	136.8 Å²	136.8	78%	0.779	73%	0.729	S	S	*	*			cis	-102.3	-122.7	-8.9	41	-29.7	0	0	0	113.6
739	S	27.8	Very low	29.4	Very low	103 Å²	103	141.5 Å²	141.5	72%	0.72	73%	0.73	S	S	*	*			trans	-163.3	-173.2	-173	67.4	0	0	0	0	113.4
740	S	27.8	Very low	29.7	Very low	112 Å²	112	139.2 Å²	139.2	78%	0.783	73%	0.731	S	S	*	*			trans	81.1	156.9	161.6	81.4	0	0	0	0	119.1
741	Q	29.5	Very low	29.8	Very low	161 Å²	161	139.7 Å²	139.7	75%	0.752	73%	0.732	S	S	*	*			cis	-171.1	166	-40.3	-145.3	-174.3	48.5	0	0	110.1
742	L	28.2	Very low	30.7	Very low	137 Å²	137	144 Å²	144	72%	0.717	75%	0.746	S	S	*	*			trans	65.7	168.7	166.5	-55.8	156.5	0	0	0	114.5
743	H	29.8	Very low	31.3	Very low	163 Å²	163	148.5 Å²	148.5	76%	0.755	77%	0.767	S	S	*	*			cis	-156.7	-178.1	-6	-132.5	1.1	0	0	0	107.5
744	R	28.8	Very low	31.6	Very low	181 Å²	181	148.6 Å²	148.6	68%	0.683	77%	0.771	S	S	*	*			cis	-156.1	136	-2.9	159.6	178.2	168.8	160.7	-6.1	108.9	E746	R744-E746 IonicContact CZ-OE1 3.26Å; R744-E746 VanDerWaalsContact CZ-OE1 3.26Å; R744-E746 IonicContact NE-OE1 3.03Å; R744-E746 PolarHBondContact NE-OE1 3.23Å; R744-E746 IonicContact NH2-OE1 2.67Å; R744-E746 PolarHBondContact NH2-OE1 3.34Å
745	S	28.4	Very low	32	Very low	97 Å²	97	148.6 Å²	148.6	68%	0.678	78%	0.776	S	S	*	*			trans	26.3	171.8	141.5	-44.3	0	0	0	0	126.1
746	E	30.1	Very low	32.3	Very low	139 Å²	139	147.4 Å²	147.4	65%	0.65	78%	0.775	S	S	*	*			trans	85.4	154.5	159.3	-65	169	-131.2	0	0	118.8	R744	R744-E746 IonicContact CZ-OE1 3.26Å; R744-E746 VanDerWaalsContact CZ-OE1 3.26Å; R744-E746 IonicContact NE-OE1 3.03Å; R744-E746 PolarHBondContact NE-OE1 3.23Å; R744-E746 IonicContact NH2-OE1 2.67Å; R744-E746 PolarHBondContact NH2-OE1 3.34Å
747	T	31.1	Very low	32.8	Very low	120 Å²	120	145.7 Å²	145.7	74%	0.736	77%	0.772	S	S	*	*				-161.7	167.2	-60.5	0.3	0	0	0	0	111.6
748	V	32.8	Very low	32.2	Very low	118 Å²	118	147.9 Å²	147.9	72%	0.715	78%	0.776	S	S	*	*			trans	81.9	110.5	146	161.3	0	0	0	0	121.7
749	R	33.2	Very low	31.8	Very low	225 Å²	225	149.7 Å²	149.7	85%	0.849	78%	0.775	S	S	*	*			trans	61.4	144.5	135.6	-66.9	-177.7	176.6	168.1	-2.2	124.4
750	S	31.5	Very low	32.1	Very low	105 Å²	105	153.1 Å²	153.1	73%	0.734	78%	0.779	S	S	*	*			trans	74.4	152.3	147.4	-66.5	0	0	0	0	117.3
751	T	35.3	Very low	32.4	Very low	127 Å²	127	156.2 Å²	156.2	78%	0.779	78%	0.779	S	S	*	*			cis	-141.5	174.7	8.1	-24.1	0	0	0	0	112
752	K	43.8	Very low	32.7	Very low	195 Å²	195	155.8 Å²	155.8	85%	0.848	78%	0.781	S	S	*	*			trans	-33.2	148.9	151.4	-64.5	174.7	-179.8	179.6	0	111.6
753	Q	39.1	Very low	33.1	Very low	263 Å²	263	157.5 Å²	157.5	100%	1.229	79%	0.787	S	S	*	*				-154.5	0	60.2	-167	166.4	-1.3	0	0	113.9

Retrieved 753 of 753 residues in 353.5 ms (Link to these results)

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