A0A096N425_PAPAN Loading...

MAGUK p55 subfamily member 4

May play a role in retinal photoreceptors development.

AlphaFold DB , UniProt , Accession A0A096N425, Species PAPAN (Papio anubis, Olive baboon), Gene MPP4, Length 636 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.1	Very low	29.4	Very low	249 Å²	249	150.3 Å²	150.3	100%	1.227	87%	0.866	S	S	*	*				0	115.9	0	-87.7	164.5	83.5	0	0	107.4
2	I	31.6	Very low	29.3	Very low	158 Å²	158	151 Å²	151	81%	0.81	86%	0.864	S	S	*	*			trans	-77.3	132.9	175.4	-65.1	163.9	0	0	0	107
3	Q	26.8	Very low	29.9	Very low	196 Å²	196	154.6 Å²	154.6	92%	0.916	86%	0.864	S	S	*	*			trans	-150.7	102.4	147.6	-113.7	172.9	10.3	0	0	110.2
4	S	27.8	Very low	30	Very low	98 Å²	98	157.4 Å²	157.4	69%	0.685	86%	0.862	S	S	*	*			trans	-72.4	139.1	156	47.9	0	0	0	0	110
5	D	27.4	Very low	30.1	Very low	168 Å²	168	156.2 Å²	156.2	90%	0.898	86%	0.855	S	S	*	*			trans	-139.2	142.7	147.6	-148.1	-3.8	0	0	0	111
6	K	30.7	Very low	29.9	Very low	195 Å²	195	158.5 Å²	158.5	85%	0.848	86%	0.861	S	S	*	*			trans	-95.4	147.7	-162.8	-76.5	177	169.1	-179.3	0	112.1
7	G	26.1	Very low	29.7	Very low	80 Å²	80	160.6 Å²	160.6	83%	0.825	86%	0.86	S	S	*	*				94.7	107.5	128.3	0	0	0	0	0	118
8	A	26.7	Very low	29.6	Very low	105 Å²	105	160.1 Å²	160.1	87%	0.868	86%	0.856	S	S	*	*			trans	-153.2	124.7	145.1	0	0	0	0	0	109.3
9	D	29.1	Very low	29.4	Very low	156 Å²	156	157.9 Å²	157.9	83%	0.834	86%	0.855	S	S	*	*	P	Polyproline II helix	trans	-61	156.5	177.7	-80.5	-46.2	0	0	0	113.2
10	P	30.4	Very low	29.6	Very low	116 Å²	116	155.9 Å²	155.9	75%	0.753	85%	0.848	S	S	*	*	P	Polyproline II helix	trans	-76.2	141.6	-179.2	31.4	-32.4	0	0	0	111.2
11	P	32.2	Very low	29.9	Very low	132 Å²	132	153 Å²	153	86%	0.857	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-79.7	152.9	177.5	22.5	-13.3	0	0	0	112.3
12	D	27.2	Very low	29.8	Very low	159 Å²	159	147.3 Å²	147.3	85%	0.85	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-47.7	137.8	-171.1	-87.4	-55.5	0	0	0	116.8	K14	D12-K14 PolarHBondContact O-N 3.03Å; D12-K14 VanDerWaalsContact O-N 3.15Å
13	K	37	Very low	29.9	Very low	198 Å²	198	146.6 Å²	146.6	86%	0.861	82%	0.822	S	S	*	*			trans	-62.7	102.6	154.1	-76.8	175.9	174.8	175	0	109.3
14	K	31.7	Very low	30.4	Very low	193 Å²	193	143.1 Å²	143.1	84%	0.839	82%	0.817	S	S	*	*			trans	-168.5	145.6	146.5	-104.6	156.5	-171.8	-177.9	0	109.9	D12	D12-K14 PolarHBondContact O-N 3.03Å; D12-K14 VanDerWaalsContact O-N 3.15Å
15	D	31	Very low	31.1	Very low	140 Å²	140	146.3 Å²	146.3	75%	0.749	82%	0.821	S	S	*	*			trans	87.5	63.3	175.8	-53.6	-32	0	0	0	118.3
16	M	27.7	Very low	32	Very low	193 Å²	193	143.4 Å²	143.4	95%	0.951	81%	0.805	S	S	*	*				-120	100.8	127.6	-83.6	-170.6	93.7	0	0	108.4	L18	M16-L18 PolarHBondContact O-N 3.34Å
17	K	25.6	Very low	33.2	Very low	194 Å²	194	136.3 Å²	136.3	84%	0.843	79%	0.788	S	S	*	*			trans	-59.9	118.7	168.1	-83.6	177.2	175.6	174.3	0	108.7	S19	K17-S19 PolarHBondContact O-N 2.72Å; K17-S19 VanDerWaalsContact O-N 3.13Å
18	L	28.7	Very low	34.7	Very low	152 Å²	152	137.4 Å²	137.4	80%	0.796	77%	0.774	S	S	*	*			trans	-57.4	104	166.5	-170.1	75.3	0	0	0	109.2	M16 T20	M16-L18 PolarHBondContact O-N 3.34Å; L18-T20 HydrophobicContact CD2-CG2 3.7Å; L18-T20 HydrophobicContact CG-CG2 3.96Å; L18-T20 PolarHBondContact O-N 3.4Å
19	S	25.7	Very low	36	Very low	118 Å²	118	135.8 Å²	135.8	83%	0.825	76%	0.757	S	S	*	*			trans	-79	92	160.3	54.1	0	0	0	0	107.9	K17 A21	K17-S19 PolarHBondContact O-N 2.72Å; K17-S19 VanDerWaalsContact O-N 3.13Å; S19-A21 PolarHBondContact O-N 3.32Å
20	T	33.3	Very low	37.4	Very low	117 Å²	117	133.8 Å²	133.8	72%	0.718	74%	0.742	S	S	*	*			trans	-64	119.5	167.6	43.8	0	0	0	0	110.4	L18	L18-T20 HydrophobicContact CD2-CG2 3.7Å; L18-T20 HydrophobicContact CG-CG2 3.96Å; L18-T20 PolarHBondContact O-N 3.4Å
21	A	35.8	Very low	38.9	Very low	96 Å²	96	131.6 Å²	131.6	79%	0.793	72%	0.723	S	S	*	*			trans	162.3	94.7	132.3	0	0	0	0	0	109.6	S19	S19-A21 PolarHBondContact O-N 3.32Å
22	T	33.4	Very low	40.1	Very low	129 Å²	129	129.8 Å²	129.8	79%	0.791	71%	0.706	S	S	*	*			trans	-125.8	120.2	161.5	44.4	0	0	0	0	108.7
23	N	33.7	Very low	41.8	Very low	143 Å²	143	131.2 Å²	131.2	77%	0.765	70%	0.7	S	S	*	*			trans	-41.8	131.9	172.1	-97.5	-29.2	0	0	0	111.7	Q25	N23-Q25 PolarHBondContact O-N 3.22Å; N23-Q25 VanDerWaalsContact O-N 3.14Å
24	P	37.2	Very low	43	Very low	124 Å²	124	126.3 Å²	126.3	81%	0.805	68%	0.682	S	S	*	*	G	3₁₀ helix	trans	-76.4	6.8	-178.5	30.1	-33.7	0	0	0	114.3	N26	P24-N26 PolarHBondContact O-N 3.16Å
25	Q	42	Very low	44.6	Very low	165 Å²	165	117.8 Å²	117.8	77%	0.771	65%	0.646	S	S	*	*	G	3₁₀ helix	trans	-80.7	-13.8	-166.1	-78.2	-166.9	-17	0	0	116.1	N23	N23-Q25 PolarHBondContact O-N 3.22Å; N23-Q25 VanDerWaalsContact O-N 3.14Å
26	N	47.5	Very low	46.2	Very low	106 Å²	106	117.1 Å²	117.1	57%	0.567	64%	0.642	S	S	*	*	G	3₁₀ helix	trans	-135	45.9	-170.9	-78.8	-19.9	0	0	0	114.7	P24 L28 Q30	P24-N26 PolarHBondContact O-N 3.16Å; N26-L28 PolarHBondContact O-N 3.24Å; N26-Q30 WeakPolarHBondContact O-CB 3.45Å; N26-Q30 PolarHBondContact O-N 3.48Å
27	G	56.1	Low	47.9	Very low	47 Å²	47	113.5 Å²	113.5	49%	0.485	62%	0.623	S	S	.	*	H	α-helix	trans	-55.8	-48.3	-180	0	0	0	0	0	114.2	I31	G27-I31 WeakPolarHBondContact O-CD1 3.3Å; G27-I31 WeakPolarHBondContact O-CG1 3.4Å; G27-I31 PolarHBondContact O-N 3.04Å
28	L	56.2	Low	49.8	Very low	103 Å²	103	108 Å²	108	54%	0.539	60%	0.6	S	S	.	*	H	α-helix	trans	-72	-42.4	-177.7	-83.4	164.6	0	0	0	113.5	N26 Q30 I31 L32 I68	N26-L28 PolarHBondContact O-N 3.24Å; L28-Q30 VanDerWaalsContact C-N 3.29Å; L28-Q30 PolarHBondContact O-N 2.97Å; L28-I31 PolarHBondContact O-N 3.48Å; L28-L32 WeakPolarHBondContact O-CG 3.46Å; L28-L32 PolarHBondContact O-N 3.1Å; L28-I68 HydrophobicContact CD2-CD1 4.17Å
29	S	54.8	Low	51.4	Low	71 Å²	71	103.8 Å²	103.8	50%	0.497	58%	0.578	S	S	.	*	H	α-helix	trans	-63.6	-38.6	176.8	176.9	0	0	0	0	111.3	L32 R33	S29-L32 PolarHBondContact O-N 3.32Å; S29-R33 WeakPolarHBondContact O-CB 3.32Å; S29-R33 PolarHBondContact O-N 2.96Å
30	Q	58.4	Low	53.1	Low	114 Å²	114	101.6 Å²	101.6	53%	0.533	56%	0.563	S	S	.	*	H	α-helix	trans	-69.7	-38.3	176.9	-166.5	133.8	6.9	0	0	112.2	N26 L28 R33 L34	N26-Q30 WeakPolarHBondContact O-CB 3.45Å; N26-Q30 PolarHBondContact O-N 3.48Å; L28-Q30 VanDerWaalsContact C-N 3.29Å; L28-Q30 PolarHBondContact O-N 2.97Å; Q30-R33 PolarHBondContact O-N 3.39Å; Q30-L34 HydrophobicContact CG-CD1 4.43Å; Q30-L34 WeakPolarHBondContact O-CB 3.41Å; Q30-L34 VanDerWaalsContact O-CG 3.25Å; Q30-L34 WeakPolarHBondContact O-CG 3.23Å; Q30-L34 PolarHBondContact O-N 3.04Å
31	I	61.2	Low	54.5	Low	69 Å²	69	101 Å²	101	35%	0.354	56%	0.555	S	S	.	*	H	α-helix	trans	-62	-51	172.2	-69.3	162.8	0	0	0	110.1	G27 L28 R33 L34 V35 L65	G27-I31 WeakPolarHBondContact O-CD1 3.3Å; G27-I31 WeakPolarHBondContact O-CG1 3.4Å; G27-I31 PolarHBondContact O-N 3.04Å; L28-I31 PolarHBondContact O-N 3.48Å; I31-R33 PolarHBondContact O-N 3.47Å; I31-L34 PolarHBondContact O-N 3.04Å; I31-L34 VanDerWaalsContact O-N 3.12Å; I31-V35 HydrophobicContact CG2-CG2 4.35Å; I31-V35 VanDerWaalsContact O-CG2 3.24Å; I31-V35 WeakPolarHBondContact O-CG2 3.4Å; I31-V35 PolarHBondContact O-N 3.5Å; I31-L65 HydrophobicContact CG2-CD1 4.48Å
32	L	58.9	Low	55.7	Low	95 Å²	95	99.6 Å²	99.6	50%	0.497	53%	0.531	S	S	.	.	H	α-helix	trans	-58.3	-36.4	178.5	-75.9	165.4	0	0	0	112.9	L28 S29 V35 L36 L65	L28-L32 WeakPolarHBondContact O-CG 3.46Å; L28-L32 PolarHBondContact O-N 3.1Å; S29-L32 PolarHBondContact O-N 3.32Å; L32-V35 WeakPolarHBondContact O-CB 3.24Å; L32-V35 PolarHBondContact O-N 3.07Å; L32-L36 PolarHBondContact O-N 2.98Å; L32-L65 HydrophobicContact CD2-CD1 4.11Å
33	R	62	Low	56.8	Low	189 Å²	189	103.9 Å²	103.9	71%	0.713	53%	0.534	S	S	*	.	H	α-helix	trans	-71.1	-39.7	177.2	-168.2	173	169.4	164.5	-1.2	112.4	S29 Q30 I31 V35 Q37	S29-R33 WeakPolarHBondContact O-CB 3.32Å; S29-R33 PolarHBondContact O-N 2.96Å; Q30-R33 PolarHBondContact O-N 3.39Å; I31-R33 PolarHBondContact O-N 3.47Å; R33-V35 VanDerWaalsContact C-N 3.32Å; R33-Q37 PolarHBondContact O-N 3.5Å
34	L	63.1	Low	58	Low	95 Å²	95	100.5 Å²	100.5	50%	0.497	52%	0.522	S	S	.	.	H	α-helix	trans	-64.9	-37.1	173.6	-72.2	168.8	0	0	0	111.5	Q30 I31 Q37 E38	Q30-L34 HydrophobicContact CG-CD1 4.43Å; Q30-L34 WeakPolarHBondContact O-CB 3.41Å; Q30-L34 VanDerWaalsContact O-CG 3.25Å; Q30-L34 WeakPolarHBondContact O-CG 3.23Å; Q30-L34 PolarHBondContact O-N 3.04Å; I31-L34 PolarHBondContact O-N 3.04Å; I31-L34 VanDerWaalsContact O-N 3.12Å; L34-Q37 WeakPolarHBondContact O-CB 3.39Å; L34-Q37 PolarHBondContact O-N 3.34Å; L34-E38 PolarHBondContact O-N 3.47Å
35	V	63.9	Low	58.9	Low	14 Å²	14	103.5 Å²	103.5	9%	0.085	52%	0.517	C	S	.	.	H	α-helix	trans	-60.5	-49.3	176.1	166.7	0	0	0	0	112.2	I31 L32 R33 Q37 E38 L39 W61	I31-V35 HydrophobicContact CG2-CG2 4.35Å; I31-V35 VanDerWaalsContact O-CG2 3.24Å; I31-V35 WeakPolarHBondContact O-CG2 3.4Å; I31-V35 PolarHBondContact O-N 3.5Å; L32-V35 WeakPolarHBondContact O-CB 3.24Å; L32-V35 PolarHBondContact O-N 3.07Å; R33-V35 VanDerWaalsContact C-N 3.32Å; V35-Q37 PolarHBondContact O-N 3.11Å; V35-E38 PolarHBondContact O-N 3.35Å; V35-L39 HydrophobicContact CG1-CD1 3.84Å; V35-L39 HydrophobicContact CG1-CG 4.45Å; V35-L39 WeakPolarHBondContact O-CB 3.13Å; V35-L39 VanDerWaalsContact O-CG 3.27Å; V35-L39 WeakPolarHBondContact O-CG 3.15Å; V35-L39 PolarHBondContact O-N 3.31Å; V35-W61 HydrophobicContact CB-CD2 4.49Å; V35-W61 HydrophobicContact CB-CE3 4.12Å; V35-W61 HydrophobicContact CB-CH2 4.42Å; V35-W61 HydrophobicContact CB-CZ3 4.09Å; V35-W61 HydrophobicContact CG1-CD2 4.46Å; V35-W61 HydrophobicContact CG1-CE3 3.87Å; V35-W61 HydrophobicContact CG1-CH2 3.45Å; V35-W61 VanDerWaalsContact CG1-CH2 3.45Å; V35-W61 HydrophobicContact CG1-CZ2 4.06Å; V35-W61 HydrophobicContact CG1-CZ3 3.32Å; V35-W61 HydrophobicContact CG2-CB 4.44Å; V35-W61 HydrophobicContact CG2-CD2 3.54Å; V35-W61 HydrophobicContact CG2-CE3 3.16Å; V35-W61 HydrophobicContact CG2-CG 4.1Å; V35-W61 HydrophobicContact CG2-CH2 4.29Å; V35-W61 HydrophobicContact CG2-CZ3 3.59Å
36	L	64.4	Low	59.3	Low	125 Å²	125	103.9 Å²	103.9	65%	0.654	52%	0.524	S	S	*	.	H	α-helix	trans	-61.1	-36.4	176.7	-72.5	169.6	0	0	0	111.9	L32 S40	L32-L36 PolarHBondContact O-N 2.98Å; L36-S40 WeakPolarHBondContact O-CB 3.45Å; L36-S40 PolarHBondContact O-N 3.4Å
37	Q	64.8	Low	59.6	Low	118 Å²	118	103.1 Å²	103.1	55%	0.551	52%	0.523	S	S	*	.	H	α-helix	trans	-69.8	-40	179.6	-152	171.1	8.2	0	0	111.8	R33 L34 V35 S40 L41	R33-Q37 PolarHBondContact O-N 3.5Å; L34-Q37 WeakPolarHBondContact O-CB 3.39Å; L34-Q37 PolarHBondContact O-N 3.34Å; V35-Q37 PolarHBondContact O-N 3.11Å; Q37-S40 PolarHBondContact O-N 2.99Å; Q37-S40 PolarHBondContact O-OG 2.67Å; Q37-L41 WeakPolarHBondContact O-CG 3.29Å; Q37-L41 PolarHBondContact O-N 2.93Å
38	E	64.1	Low	59.9	Low	79 Å²	79	107.2 Å²	107.2	37%	0.369	53%	0.534	S	S	.	.	H	α-helix	trans	-71.8	-42.7	177.6	-139.3	179.7	168.8	0	0	112.3	L34 V35 S40 L41 F42 W61	L34-E38 PolarHBondContact O-N 3.47Å; V35-E38 PolarHBondContact O-N 3.35Å; E38-S40 PolarHBondContact O-N 3.34Å; E38-L41 WeakPolarHBondContact O-CB 3.23Å; E38-L41 PolarHBondContact O-N 3.49Å; E38-F42 HydrophobicContact CG-CD2 4.28Å; E38-F42 HydrophobicContact CG-CE2 3.85Å; E38-F42 WeakPolarHBondContact O-CD2 3.21Å; E38-F42 PolarHBondContact O-N 3.23Å; E38-W61 PolarHBondContact OE2-NE1 3.39Å
39	L	63.2	Low	60.2	Low	62 Å²	62	104.6 Å²	104.6	33%	0.325	53%	0.532	S	S	.	.	H	α-helix	trans	-55.6	-38	173.3	-73.6	170	0	0	0	112.2	V35 L41 F42 Y43 L56 W61	V35-L39 HydrophobicContact CG1-CD1 3.84Å; V35-L39 HydrophobicContact CG1-CG 4.45Å; V35-L39 WeakPolarHBondContact O-CB 3.13Å; V35-L39 VanDerWaalsContact O-CG 3.27Å; V35-L39 WeakPolarHBondContact O-CG 3.15Å; V35-L39 PolarHBondContact O-N 3.31Å; L39-L41 VanDerWaalsContact C-N 3.32Å; L39-L41 PolarHBondContact O-N 2.92Å; L39-F42 PolarHBondContact O-N 3.2Å; L39-Y43 PolarHBondContact O-N 3.41Å; L39-L56 HydrophobicContact CD2-CD1 3.43Å; L39-L56 VanDerWaalsContact CD2-CD1 3.43Å; L39-W61 HydrophobicContact CD2-CZ2 4.42Å; L39-W61 HydrophobicContact CG-CZ2 4.46Å
40	S	61.9	Low	60.8	Low	72 Å²	72	106.7 Å²	106.7	50%	0.503	54%	0.542	S	S	.	.	H	α-helix	trans	-66.4	-33.4	176.9	82.3	0	0	0	0	112.9	L36 Q37 E38	L36-S40 WeakPolarHBondContact O-CB 3.45Å; L36-S40 PolarHBondContact O-N 3.4Å; Q37-S40 PolarHBondContact O-N 2.99Å; Q37-S40 PolarHBondContact O-OG 2.67Å; E38-S40 PolarHBondContact O-N 3.34Å
41	L	62.4	Low	61.1	Low	105 Å²	105	104.3 Å²	104.3	55%	0.55	54%	0.537	S	S	.	.	H	α-helix	trans	-75.3	-37.6	178.6	-70.7	168	0	0	0	111.3	Q37 E38 L39 S44	Q37-L41 WeakPolarHBondContact O-CG 3.29Å; Q37-L41 PolarHBondContact O-N 2.93Å; E38-L41 WeakPolarHBondContact O-CB 3.23Å; E38-L41 PolarHBondContact O-N 3.49Å; L39-L41 VanDerWaalsContact C-N 3.32Å; L39-L41 PolarHBondContact O-N 2.92Å; L41-S44 PolarHBondContact O-N 3.29Å; L41-S44 PolarHBondContact O-OG 2.93Å
42	F	60.6	Low	61.4	Low	67 Å²	67	103.7 Å²	103.7	29%	0.294	53%	0.534	S	S	.	.	H	α-helix	trans	-67.8	-35.8	177.6	-80.2	-73.3	0	0	0	113	E38 L39 S44 R45 L52	E38-F42 HydrophobicContact CG-CD2 4.28Å; E38-F42 HydrophobicContact CG-CE2 3.85Å; E38-F42 WeakPolarHBondContact O-CD2 3.21Å; E38-F42 PolarHBondContact O-N 3.23Å; L39-F42 PolarHBondContact O-N 3.2Å; F42-S44 PolarHBondContact O-N 3.11Å; F42-S44 VanDerWaalsContact O-N 3.16Å; F42-R45 PolarHBondContact O-N 3.41Å; F42-L52 HydrophobicContact CB-CD1 4.24Å
43	Y	57.1	Low	61.8	Low	218 Å²	218	104 Å²	104	86%	0.855	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-20.7	175.2	-123.1	-90.9	0	0	0	113.9	L39	L39-Y43 PolarHBondContact O-N 3.41Å
44	S	57.8	Low	62.5	Low	73 Å²	73	101.6 Å²	101.6	51%	0.51	53%	0.527	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-6.4	-176.2	74.7	0	0	0	0	114.7	L41 F42	L41-S44 PolarHBondContact O-N 3.29Å; L41-S44 PolarHBondContact O-OG 2.93Å; F42-S44 PolarHBondContact O-N 3.11Å; F42-S44 VanDerWaalsContact O-N 3.16Å
45	R	56.7	Low	62.9	Low	186 Å²	186	101.1 Å²	101.1	70%	0.702	53%	0.525	S	S	*	.	S	Bend	trans	-105.5	109.9	178.2	-69.3	-175.8	177.1	-177.1	-0.2	108.6	F42 V47	F42-R45 PolarHBondContact O-N 3.41Å; R45-V47 HydrophobicContact CB-CG2 4.23Å; R45-V47 PolarHBondContact O-N 3.42Å
46	D	51.1	Low	63.4	Low	173 Å²	173	102.6 Å²	102.6	93%	0.925	53%	0.533	S	S	*	.			trans	-65.1	88.4	177.2	-165.4	13.2	0	0	0	110.4
47	V	53.7	Low	63.9	Low	90 Å²	90	100.9 Å²	100.9	55%	0.545	52%	0.523	S	S	.	.			trans	-140.8	128.7	176.5	-155.6	0	0	0	0	109.2	R45 G49	R45-V47 HydrophobicContact CB-CG2 4.23Å; R45-V47 PolarHBondContact O-N 3.42Å; V47-G49 PolarHBondContact O-N 2.95Å
48	N	61.6	Low	64.6	Low	133 Å²	133	100.7 Å²	100.7	71%	0.711	52%	0.522	S	S	*	.			trans	-13.7	116	169.4	-108.8	-29.2	0	0	0	114	V50 C51 L52	N48-V50 PolarHBondContact O-N 3.33Å; N48-C51 PolarHBondContact O-N 3.29Å; N48-L52 PolarHBondContact O-N 3.15Å
49	G	62.8	Low	65.3	Low	49 Å²	49	97.4 Å²	97.4	51%	0.505	51%	0.508	S	S	.	.	H	α-helix	trans	-55.9	-20.8	-171.8	0	0	0	0	0	115.6	V47 L53	V47-G49 PolarHBondContact O-N 2.95Å; G49-L53 PolarHBondContact O-N 3.06Å; G49-L53 VanDerWaalsContact O-N 3.09Å
50	V	67.9	Low	65.9	Low	115 Å²	115	99.9 Å²	99.9	70%	0.697	53%	0.528	S	S	*	.	H	α-helix	trans	-72.1	-38.6	175.2	-176.6	0	0	0	0	112.3	N48 L53 Y54	N48-V50 PolarHBondContact O-N 3.33Å; V50-L53 PolarHBondContact O-N 2.95Å; V50-Y54 PolarHBondContact O-N 3.49Å
51	C	63.6	Low	66.4	Low	63 Å²	63	98.5 Å²	98.5	43%	0.426	51%	0.512	S	S	.	.	H	α-helix	trans	-68.7	-39.6	175.8	-66.6	0	0	0	0	110.7	N48 L53 Y54 D55	N48-C51 PolarHBondContact O-N 3.29Å; C51-L53 PolarHBondContact O-N 2.96Å; C51-Y54 WeakPolarHBondContact O-CB 3.28Å; C51-Y54 PolarHBondContact O-N 3.47Å; C51-D55 PolarHBondContact O-N 3.14Å
52	L	67.9	Low	67.1	Low	57 Å²	57	95 Å²	95	30%	0.298	49%	0.493	S	S	.	.	H	α-helix	trans	-61.4	-43.8	175.4	-174.1	136.6	0	0	0	112	F42 N48 D55 L56	F42-L52 HydrophobicContact CB-CD1 4.24Å; N48-L52 PolarHBondContact O-N 3.15Å; L52-D55 PolarHBondContact O-N 3.41Å; L52-L56 WeakPolarHBondContact O-CB 3.48Å; L52-L56 PolarHBondContact O-N 2.93Å
53	L	68.1	Low	68	Low	100 Å²	100	95.7 Å²	95.7	52%	0.524	50%	0.498	S	S	.	.	H	α-helix	trans	-62	-41.8	173.3	-93.4	155.3	0	0	0	112.5	G49 V50 C51 L57	G49-L53 PolarHBondContact O-N 3.06Å; G49-L53 VanDerWaalsContact O-N 3.09Å; V50-L53 PolarHBondContact O-N 2.95Å; C51-L53 PolarHBondContact O-N 2.96Å; L53-L57 WeakPolarHBondContact O-CB 3.46Å; L53-L57 VanDerWaalsContact O-CG 3.22Å; L53-L57 WeakPolarHBondContact O-CG 3.36Å; L53-L57 PolarHBondContact O-N 3.05Å
54	Y	75.4	Confident	69	Low	140 Å²	140	87.6 Å²	87.6	55%	0.549	48%	0.476	S	S	.	.	H	α-helix	trans	-62.8	-49.3	177.5	-175.8	-93.6	0	0	0	111.5	V50 C51 L56 L57 H58	V50-Y54 PolarHBondContact O-N 3.49Å; C51-Y54 WeakPolarHBondContact O-CB 3.28Å; C51-Y54 PolarHBondContact O-N 3.47Å; Y54-L56 VanDerWaalsContact C-N 3.35Å; Y54-L56 PolarHBondContact O-N 3.22Å; Y54-L57 PolarHBondContact O-N 2.92Å; Y54-H58 AromaticContact CD2-CE1 3.63Å; Y54-H58 AromaticContact CD2-ND1 3.87Å; Y54-H58 AromaticContact CE2-CE1 3.25Å; Y54-H58 WeakPolarHBondContact CE2-CE1 3.32Å; Y54-H58 AromaticContact CE2-ND1 3.79Å; Y54-H58 AromaticContact CE2-NE2 3.91Å; Y54-H58 AromaticContact CZ-CE1 3.56Å; Y54-H58 AromaticContact CZ-ND1 3.85Å; Y54-H58 AromaticContact CZ-NE2 3.92Å; Y54-H58 PolarHBondContact O-N 2.99Å; Y54-H58 VanDerWaalsContact O-N 3.09Å; Y54-H58 PolarHBondContact O-ND1 3.42Å
55	D	72.6	Confident	69.9	Low	85 Å²	85	86.8 Å²	86.8	46%	0.455	47%	0.465	S	S	.	.	H	α-helix	trans	-65.1	-38.5	180	-68.3	-20.8	0	0	0	111.8	C51 L52 H58 S59	C51-D55 PolarHBondContact O-N 3.14Å; L52-D55 PolarHBondContact O-N 3.41Å; D55-H58 PolarHBondContact O-N 2.92Å; D55-S59 PolarHBondContact O-N 3.29Å
56	L	73.5	Confident	71	Confident	45 Å²	45	81.5 Å²	81.5	24%	0.236	45%	0.45	C	S	.	.	H	α-helix	trans	-64.8	-47.4	177	-169.2	110.7	0	0	0	111.9	L39 L52 Y54 H58 S59 L62	L39-L56 HydrophobicContact CD2-CD1 3.43Å; L39-L56 VanDerWaalsContact CD2-CD1 3.43Å; L52-L56 WeakPolarHBondContact O-CB 3.48Å; L52-L56 PolarHBondContact O-N 2.93Å; Y54-L56 VanDerWaalsContact C-N 3.35Å; Y54-L56 PolarHBondContact O-N 3.22Å; L56-H58 PolarHBondContact O-N 3.2Å; L56-S59 VanDerWaalsContact O-CB 3.31Å; L56-S59 WeakPolarHBondContact O-CB 3.3Å; L56-S59 PolarHBondContact O-N 3.29Å; L56-S59 VanDerWaalsContact O-N 3.11Å; L56-S59 PolarHBondContact O-OG 2.84Å; L56-L62 HydrophobicContact CD2-CD2 4.02Å; L56-L62 HydrophobicContact CG-CD2 4.29Å; L56-L62 WeakPolarHBondContact O-CD2 3.47Å
57	L	75.8	Confident	72.4	Confident	88 Å²	88	80.1 Å²	80.1	46%	0.461	44%	0.436	S	S	.	.	H	α-helix	trans	-65.8	-27.2	179.2	-72.7	171	0	0	0	112.5	L53 Y54 L62 Q63	L53-L57 WeakPolarHBondContact O-CB 3.46Å; L53-L57 VanDerWaalsContact O-CG 3.22Å; L53-L57 WeakPolarHBondContact O-CG 3.36Å; L53-L57 PolarHBondContact O-N 3.05Å; Y54-L57 PolarHBondContact O-N 2.92Å; L57-L62 HydrophobicContact CD2-CD2 4.49Å; L57-Q63 PolarHBondContact O-NE2 2.71Å
58	H	79	Confident	73.7	Confident	114 Å²	114	79 Å²	79	53%	0.528	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	1.3	175.9	-68	79.2	0	0	0	113.4	Y54 D55 L56	Y54-H58 AromaticContact CD2-CE1 3.63Å; Y54-H58 AromaticContact CD2-ND1 3.87Å; Y54-H58 AromaticContact CE2-CE1 3.25Å; Y54-H58 WeakPolarHBondContact CE2-CE1 3.32Å; Y54-H58 AromaticContact CE2-ND1 3.79Å; Y54-H58 AromaticContact CE2-NE2 3.91Å; Y54-H58 AromaticContact CZ-CE1 3.56Å; Y54-H58 AromaticContact CZ-ND1 3.85Å; Y54-H58 AromaticContact CZ-NE2 3.92Å; Y54-H58 PolarHBondContact O-N 2.99Å; Y54-H58 VanDerWaalsContact O-N 3.09Å; Y54-H58 PolarHBondContact O-ND1 3.42Å; D55-H58 PolarHBondContact O-N 2.92Å; L56-H58 PolarHBondContact O-N 3.2Å
59	S	78.8	Confident	74.5	Confident	11 Å²	11	79 Å²	79	8%	0.077	42%	0.417	C	S	.	.			trans	-64.6	132.2	179.4	71.7	0	0	0	0	111	D55 L56 W61 L62 Q63	D55-S59 PolarHBondContact O-N 3.29Å; L56-S59 VanDerWaalsContact O-CB 3.31Å; L56-S59 WeakPolarHBondContact O-CB 3.3Å; L56-S59 PolarHBondContact O-N 3.29Å; L56-S59 VanDerWaalsContact O-N 3.11Å; L56-S59 PolarHBondContact O-OG 2.84Å; S59-W61 PolarHBondContact O-N 3.49Å; S59-W61 PolarHBondContact OG-NE1 3.02Å; S59-L62 PolarHBondContact O-N 3.28Å; S59-L62 WeakPolarHBondContact OG-CB 3.48Å; S59-L62 PolarHBondContact OG-N 3.04Å; S59-Q63 WeakPolarHBondContact O-CG 3.39Å; S59-Q63 PolarHBondContact O-N 3.36Å
60	P	74.8	Confident	75.3	Confident	114 Å²	114	81 Å²	81	74%	0.74	42%	0.416	S	S	*	.	H	α-helix	trans	-60.6	-31.2	-176.8	-24.6	32.9	0	0	0	113.5	A64	P60-A64 WeakPolarHBondContact O-CB 3.37Å; P60-A64 PolarHBondContact O-N 3.24Å
61	W	73.4	Confident	75.8	Confident	42 Å²	42	78.3 Å²	78.3	16%	0.159	40%	0.403	C	S	.	.	H	α-helix	trans	-74	-39.9	180	66.1	-104.3	0	0	0	112.1	V35 E38 L39 S59 Q63 A64 L65	V35-W61 HydrophobicContact CB-CD2 4.49Å; V35-W61 HydrophobicContact CB-CE3 4.12Å; V35-W61 HydrophobicContact CB-CH2 4.42Å; V35-W61 HydrophobicContact CB-CZ3 4.09Å; V35-W61 HydrophobicContact CG1-CD2 4.46Å; V35-W61 HydrophobicContact CG1-CE3 3.87Å; V35-W61 HydrophobicContact CG1-CH2 3.45Å; V35-W61 VanDerWaalsContact CG1-CH2 3.45Å; V35-W61 HydrophobicContact CG1-CZ2 4.06Å; V35-W61 HydrophobicContact CG1-CZ3 3.32Å; V35-W61 HydrophobicContact CG2-CB 4.44Å; V35-W61 HydrophobicContact CG2-CD2 3.54Å; V35-W61 HydrophobicContact CG2-CE3 3.16Å; V35-W61 HydrophobicContact CG2-CG 4.1Å; V35-W61 HydrophobicContact CG2-CH2 4.29Å; V35-W61 HydrophobicContact CG2-CZ3 3.59Å; E38-W61 PolarHBondContact OE2-NE1 3.39Å; L39-W61 HydrophobicContact CD2-CZ2 4.42Å; L39-W61 HydrophobicContact CG-CZ2 4.46Å; S59-W61 PolarHBondContact O-N 3.49Å; S59-W61 PolarHBondContact OG-NE1 3.02Å; W61-Q63 VanDerWaalsContact C-N 3.32Å; W61-A64 WeakPolarHBondContact O-CB 3.27Å; W61-A64 PolarHBondContact O-N 3.37Å; W61-L65 WeakPolarHBondContact O-CB 3.28Å; W61-L65 PolarHBondContact O-N 3.21Å
62	L	76.2	Confident	76.4	Confident	31 Å²	31	80.6 Å²	80.6	16%	0.162	41%	0.41	C	S	.	.	H	α-helix	trans	-68.8	-40	-179.2	-178.1	64.4	0	0	0	109.6	L56 L57 S59 A64 L65 L66	L56-L62 HydrophobicContact CD2-CD2 4.02Å; L56-L62 HydrophobicContact CG-CD2 4.29Å; L56-L62 WeakPolarHBondContact O-CD2 3.47Å; L57-L62 HydrophobicContact CD2-CD2 4.49Å; S59-L62 PolarHBondContact O-N 3.28Å; S59-L62 WeakPolarHBondContact OG-CB 3.48Å; S59-L62 PolarHBondContact OG-N 3.04Å; L62-A64 VanDerWaalsContact C-N 3.32Å; L62-A64 PolarHBondContact O-N 3.23Å; L62-L65 PolarHBondContact O-N 3.36Å; L62-L66 HydrophobicContact CG-CD1 4.17Å; L62-L66 WeakPolarHBondContact O-CB 3.35Å; L62-L66 WeakPolarHBondContact O-CG 3.17Å; L62-L66 PolarHBondContact O-N 3.07Å
63	Q	80.1	Confident	76.7	Confident	83 Å²	83	81.8 Å²	81.8	39%	0.388	41%	0.414	S	S	.	.	H	α-helix	trans	-62.2	-38.4	172.4	-68.6	-65.1	-31.4	0	0	112.2	L57 S59 W61 K67	L57-Q63 PolarHBondContact O-NE2 2.71Å; S59-Q63 WeakPolarHBondContact O-CG 3.39Å; S59-Q63 PolarHBondContact O-N 3.36Å; W61-Q63 VanDerWaalsContact C-N 3.32Å; Q63-K67 VanDerWaalsContact O-CG 3.28Å; Q63-K67 WeakPolarHBondContact O-CG 3.47Å; Q63-K67 PolarHBondContact O-N 3.13Å; Q63-K67 VanDerWaalsContact O-N 3.1Å
64	A	77.6	Confident	77	Confident	47 Å²	47	82.1 Å²	82.1	39%	0.388	41%	0.413	S	S	.	.	H	α-helix	trans	-67.4	-40	173.5	0	0	0	0	0	112	P60 W61 L62 K67 I68	P60-A64 WeakPolarHBondContact O-CB 3.37Å; P60-A64 PolarHBondContact O-N 3.24Å; W61-A64 WeakPolarHBondContact O-CB 3.27Å; W61-A64 PolarHBondContact O-N 3.37Å; L62-A64 VanDerWaalsContact C-N 3.32Å; L62-A64 PolarHBondContact O-N 3.23Å; A64-K67 PolarHBondContact O-N 3.03Å; A64-I68 VanDerWaalsContact O-CG1 3.27Å; A64-I68 WeakPolarHBondContact O-CG1 3.48Å; A64-I68 PolarHBondContact O-N 3.22Å
65	L	77.4	Confident	76.5	Confident	57 Å²	57	80.3 Å²	80.3	30%	0.298	41%	0.408	S	S	.	.	H	α-helix	trans	-70.3	-39.1	-178.9	-155.2	137.1	0	0	0	111.8	I31 L32 W61 L62 I68 Y69	I31-L65 HydrophobicContact CG2-CD1 4.48Å; L32-L65 HydrophobicContact CD2-CD1 4.11Å; W61-L65 WeakPolarHBondContact O-CB 3.28Å; W61-L65 PolarHBondContact O-N 3.21Å; L62-L65 PolarHBondContact O-N 3.36Å; L65-I68 PolarHBondContact O-N 3.16Å; L65-Y69 WeakPolarHBondContact O-CB 3.44Å; L65-Y69 PolarHBondContact O-N 2.98Å
66	L	80.4	Confident	76.2	Confident	74 Å²	74	84.5 Å²	84.5	39%	0.387	42%	0.422	S	S	.	.	H	α-helix	trans	-61.9	-44.5	170.8	-76.4	165.9	0	0	0	111.4	L62 I68 Y69 D70	L62-L66 HydrophobicContact CG-CD1 4.17Å; L62-L66 WeakPolarHBondContact O-CB 3.35Å; L62-L66 WeakPolarHBondContact O-CG 3.17Å; L62-L66 PolarHBondContact O-N 3.07Å; L66-I68 VanDerWaalsContact C-N 3.3Å; L66-I68 PolarHBondContact O-N 3.47Å; L66-Y69 WeakPolarHBondContact O-CB 3.48Å; L66-Y69 PolarHBondContact O-N 3.19Å; L66-Y69 VanDerWaalsContact O-N 3.16Å; L66-D70 WeakPolarHBondContact O-CB 3.28Å; L66-D70 PolarHBondContact O-N 3.1Å
67	K	80.7	Confident	75.8	Confident	145 Å²	145	90 Å²	90	63%	0.63	45%	0.447	S	S	*	.	H	α-helix	trans	-61.1	-37.7	174.2	-75.4	174.5	-178.8	179.7	0	113.1	Q63 A64 C71	Q63-K67 VanDerWaalsContact O-CG 3.28Å; Q63-K67 WeakPolarHBondContact O-CG 3.47Å; Q63-K67 PolarHBondContact O-N 3.13Å; Q63-K67 VanDerWaalsContact O-N 3.1Å; A64-K67 PolarHBondContact O-N 3.03Å; K67-C71 VanDerWaalsContact O-CB 3.28Å; K67-C71 WeakPolarHBondContact O-CB 3.27Å; K67-C71 PolarHBondContact O-N 2.81Å
68	I	79.6	Confident	75.3	Confident	65 Å²	65	91.4 Å²	91.4	33%	0.333	45%	0.449	S	S	.	.	H	α-helix	trans	-67.2	-43.8	175.3	-69.1	164.1	0	0	0	110	L28 A64 L65 L66 C71 L72	L28-I68 HydrophobicContact CD2-CD1 4.17Å; A64-I68 VanDerWaalsContact O-CG1 3.27Å; A64-I68 WeakPolarHBondContact O-CG1 3.48Å; A64-I68 PolarHBondContact O-N 3.22Å; L65-I68 PolarHBondContact O-N 3.16Å; L66-I68 VanDerWaalsContact C-N 3.3Å; L66-I68 PolarHBondContact O-N 3.47Å; I68-C71 PolarHBondContact O-N 2.88Å; I68-L72 HydrophobicContact CG2-CD1 3.86Å; I68-L72 HydrophobicContact CG2-CG 4.34Å; I68-L72 WeakPolarHBondContact O-CB 3.28Å; I68-L72 VanDerWaalsContact O-CG 3.28Å; I68-L72 WeakPolarHBondContact O-CG 3.42Å; I68-L72 PolarHBondContact O-N 3.39Å
69	Y	78.3	Confident	74.3	Confident	133 Å²	133	94.2 Å²	94.2	52%	0.522	46%	0.46	S	S	.	.	H	α-helix	trans	-60.3	-48.5	176.2	177.7	-95.7	0	0	0	111.7	L65 L66 C71 L72 Q73	L65-Y69 WeakPolarHBondContact O-CB 3.44Å; L65-Y69 PolarHBondContact O-N 2.98Å; L66-Y69 WeakPolarHBondContact O-CB 3.48Å; L66-Y69 PolarHBondContact O-N 3.19Å; L66-Y69 VanDerWaalsContact O-N 3.16Å; Y69-C71 VanDerWaalsContact C-N 3.32Å; Y69-C71 PolarHBondContact O-N 3.19Å; Y69-L72 PolarHBondContact O-N 3.41Å; Y69-Q73 WeakPolarHBondContact O-CB 3.32Å; Y69-Q73 PolarHBondContact O-N 3.36Å
70	D	81.4	Confident	73.6	Confident	91 Å²	91	100.1 Å²	100.1	49%	0.487	49%	0.49	S	S	.	.	H	α-helix	trans	-59.3	-44.3	177.7	-67.7	-20	0	0	0	111	L66 Q73 E74	L66-D70 WeakPolarHBondContact O-CB 3.28Å; L66-D70 PolarHBondContact O-N 3.1Å; D70-Q73 PolarHBondContact O-N 3.29Å; D70-E74 PolarHBondContact O-N 3.04Å
71	C	77.2	Confident	73.6	Confident	60 Å²	60	100.6 Å²	100.6	41%	0.405	49%	0.49	S	S	.	.	H	α-helix	trans	-60.9	-49	175.2	-175.3	0	0	0	0	111.4	K67 I68 Y69 Q73 E74 F75	K67-C71 VanDerWaalsContact O-CB 3.28Å; K67-C71 WeakPolarHBondContact O-CB 3.27Å; K67-C71 PolarHBondContact O-N 2.81Å; I68-C71 PolarHBondContact O-N 2.88Å; Y69-C71 VanDerWaalsContact C-N 3.32Å; Y69-C71 PolarHBondContact O-N 3.19Å; C71-Q73 VanDerWaalsContact C-N 3.29Å; C71-Q73 PolarHBondContact O-N 3.07Å; C71-E74 PolarHBondContact O-N 3.27Å; C71-F75 VanDerWaalsContact O-CD2 3.27Å; C71-F75 WeakPolarHBondContact O-CD2 3.41Å; C71-F75 PolarHBondContact O-N 3.38Å
72	L	75.5	Confident	73.8	Confident	111 Å²	111	101.1 Å²	101.1	58%	0.581	50%	0.499	S	S	*	.	H	α-helix	trans	-62.3	-36.9	178	-73.8	171.4	0	0	0	112.2	I68 Y69 F75 K76	I68-L72 HydrophobicContact CG2-CD1 3.86Å; I68-L72 HydrophobicContact CG2-CG 4.34Å; I68-L72 WeakPolarHBondContact O-CB 3.28Å; I68-L72 VanDerWaalsContact O-CG 3.28Å; I68-L72 WeakPolarHBondContact O-CG 3.42Å; I68-L72 PolarHBondContact O-N 3.39Å; Y69-L72 PolarHBondContact O-N 3.41Å; L72-F75 PolarHBondContact O-N 3.43Å; L72-K76 WeakPolarHBondContact O-CB 3.36Å; L72-K76 PolarHBondContact O-N 2.96Å
73	Q	75.8	Confident	74	Confident	81 Å²	81	105 Å²	105	38%	0.379	54%	0.535	S	S	.	.	H	α-helix	trans	-67.1	-42.2	177.7	-166.7	171.8	-0.1	0	0	111	Y69 D70 C71 F75 K76 E77	Y69-Q73 WeakPolarHBondContact O-CB 3.32Å; Y69-Q73 PolarHBondContact O-N 3.36Å; D70-Q73 PolarHBondContact O-N 3.29Å; C71-Q73 VanDerWaalsContact C-N 3.29Å; C71-Q73 PolarHBondContact O-N 3.07Å; Q73-F75 VanDerWaalsContact C-N 3.28Å; Q73-F75 PolarHBondContact O-N 3.37Å; Q73-K76 WeakPolarHBondContact O-CB 3.48Å; Q73-K76 PolarHBondContact O-N 3.33Å; Q73-K76 VanDerWaalsContact O-N 3.13Å; Q73-E77 PolarHBondContact O-N 3.14Å; Q73-E77 VanDerWaalsContact O-N 3.1Å
74	E	72.9	Confident	74.2	Confident	108 Å²	108	102.8 Å²	102.8	51%	0.505	53%	0.527	S	S	.	.	H	α-helix	trans	-60.7	-36.8	173.8	-154.7	-168.2	150.4	0	0	112	D70 C71 K78	D70-E74 PolarHBondContact O-N 3.04Å; C71-E74 PolarHBondContact O-N 3.27Å; E74-K78 WeakPolarHBondContact O-CG 3.4Å; E74-K78 PolarHBondContact O-N 2.91Å; E74-K78 IonicContact OE1-NZ 2.71Å; E74-K78 PolarHBondContact OE1-NZ 3.13Å
75	F	66.6	Low	74.6	Confident	101 Å²	101	103 Å²	103	44%	0.443	53%	0.525	S	S	.	.	H	α-helix	trans	-74.1	-31.5	174.4	-86.3	-78.5	0	0	0	113.5	C71 L72 Q73 E77 K78 L80	C71-F75 VanDerWaalsContact O-CD2 3.27Å; C71-F75 WeakPolarHBondContact O-CD2 3.41Å; C71-F75 PolarHBondContact O-N 3.38Å; L72-F75 PolarHBondContact O-N 3.43Å; Q73-F75 VanDerWaalsContact C-N 3.28Å; Q73-F75 PolarHBondContact O-N 3.37Å; F75-E77 VanDerWaalsContact C-N 3.34Å; F75-K78 PolarHBondContact O-N 3.33Å; F75-L80 HydrophobicContact CD1-CD1 3.81Å; F75-L80 HydrophobicContact CE1-CD1 4.04Å
76	K	64.8	Low	75.2	Confident	174 Å²	174	104.8 Å²	104.8	76%	0.757	53%	0.532	S	S	*	.	H	α-helix	trans	-68	-34.7	177.3	-156.3	175.2	-175.5	179.7	0	111.6	L72 Q73	L72-K76 WeakPolarHBondContact O-CB 3.36Å; L72-K76 PolarHBondContact O-N 2.96Å; Q73-K76 WeakPolarHBondContact O-CB 3.48Å; Q73-K76 PolarHBondContact O-N 3.33Å; Q73-K76 VanDerWaalsContact O-N 3.13Å
77	E	65.1	Low	75.7	Confident	161 Å²	161	102 Å²	102	75%	0.752	52%	0.519	S	S	*	.	H	α-helix	trans	-72.9	-32.8	174	-67.8	-160	165.5	0	0	113	Q73 F75 K79	Q73-E77 PolarHBondContact O-N 3.14Å; Q73-E77 VanDerWaalsContact O-N 3.1Å; F75-E77 VanDerWaalsContact C-N 3.34Å; E77-K79 PolarHBondContact O-N 3.36Å
78	K	66.6	Low	76.1	Confident	117 Å²	117	97.7 Å²	97.7	51%	0.509	50%	0.501	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-9.6	-179	-76.7	173.3	-172.7	165.8	0	115.1	E74 F75 L80	E74-K78 WeakPolarHBondContact O-CG 3.4Å; E74-K78 PolarHBondContact O-N 2.91Å; E74-K78 IonicContact OE1-NZ 2.71Å; E74-K78 PolarHBondContact OE1-NZ 3.13Å; F75-K78 PolarHBondContact O-N 3.33Å; K78-L80 PolarHBondContact O-N 3.1Å
79	K	57.6	Low	76.6	Confident	172 Å²	172	98 Å²	98	75%	0.748	51%	0.506	S	S	*	.			trans	30.6	72.5	-178.4	-76.1	-172.7	179.7	178.7	0	112.4	E77 V81	E77-K79 PolarHBondContact O-N 3.36Å; K79-V81 PolarHBondContact O-N 2.89Å
80	L	64	Low	77.2	Confident	136 Å²	136	95.4 Å²	95.4	71%	0.712	50%	0.501	S	S	*	.			trans	-65	105	176.7	-65.2	172.4	0	0	0	109.3	F75 K78	F75-L80 HydrophobicContact CD1-CD1 3.81Å; F75-L80 HydrophobicContact CE1-CD1 4.04Å; K78-L80 PolarHBondContact O-N 3.1Å
81	V	73.7	Confident	77.6	Confident	123 Å²	123	91.7 Å²	91.7	75%	0.745	48%	0.483	S	S	*	.			trans	-93.6	129.7	173.8	-174.4	0	0	0	0	107.8	K79 A83	K79-V81 PolarHBondContact O-N 2.89Å; V81-A83 PolarHBondContact O-N 3.35Å
82	P	78	Confident	78.2	Confident	54 Å²	54	94.1 Å²	94.1	35%	0.351	48%	0.484	S	S	.	.			trans	-62	138.5	175.2	26.5	-33.9	0	0	0	109.8	T84 A130	P82-T84 PolarHBondContact O-N 3.21Å; P82-A130 HydrophobicContact CB-CB 3.65Å; P82-A130 HydrophobicContact CG-CB 3.78Å
83	A	80	Confident	78.8	Confident	111 Å²	111	93.9 Å²	93.9	92%	0.917	48%	0.48	S	S	*	.	S	Bend	trans	-62.8	-29.8	179	0	0	0	0	0	112.2	V81	V81-A83 PolarHBondContact O-N 3.35Å
84	T	84.9	Confident	79.5	Confident	37 Å²	37	93 Å²	93	23%	0.227	48%	0.48	C	S	.	.			trans	-153.7	146.8	173.1	176	0	0	0	0	109.5	P82 H86 A87 L90 H126	P82-T84 PolarHBondContact O-N 3.21Å; T84-H86 VanDerWaalsContact C-N 3.34Å; T84-H86 PolarHBondContact OG1-N 2.8Å; T84-A87 HydrophobicContact CG2-CB 3.91Å; T84-L90 HydrophobicContact CG2-CD1 4.03Å; T84-H126 PolarHBondContact O-CE1 3.23Å
85	P	85.3	Confident	80.2	Confident	53 Å²	53	88.5 Å²	88.5	34%	0.344	46%	0.46	S	S	.	.	S	Bend	trans	-85.5	-2.3	171.3	20.9	-12.7	0	0	0	114.2	Q131	P85-Q131 HydrophobicContact CB-CG 3.98Å; P85-Q131 PolarHBondContact O-NE2 2.95Å
86	H	90.7	Very high	81.1	Confident	93 Å²	93	90 Å²	90	43%	0.431	47%	0.468	S	S	.	.			trans	-133.4	47.9	-172.1	-51.5	95.1	0	0	0	112.1	T84 Q88 T89 L90 D127	T84-H86 VanDerWaalsContact C-N 3.34Å; T84-H86 PolarHBondContact OG1-N 2.8Å; H86-Q88 PolarHBondContact O-N 2.85Å; H86-T89 PolarHBondContact O-N 3.22Å; H86-L90 WeakPolarHBondContact O-CG 3.25Å; H86-L90 PolarHBondContact O-N 3.5Å; H86-D127 VanDerWaalsContact C-OD2 3.3Å; H86-D127 WeakPolarHBondContact CA-OD2 3.32Å
87	A	90.8	Very high	82.2	Confident	15 Å²	15	87.2 Å²	87.2	12%	0.124	46%	0.461	C	S	.	.	H	α-helix	trans	-64.5	-29.9	-178.8	0	0	0	0	0	112.2	T84 S91 L123 D127	T84-A87 HydrophobicContact CG2-CB 3.91Å; A87-S91 PolarHBondContact O-N 3.41Å; A87-L123 HydrophobicContact CB-CD2 3.89Å; A87-D127 WeakPolarHBondContact CB-OD1 3.27Å; A87-D127 VanDerWaalsContact N-CG 3.33Å; A87-D127 PolarHBondContact N-OD1 3.19Å; A87-D127 PolarHBondContact N-OD2 3.43Å
88	Q	90	Very high	83.1	Confident	55 Å²	55	80.8 Å²	80.8	26%	0.257	43%	0.432	S	S	.	.	H	α-helix	trans	-67.4	-45.1	177.3	-169.6	-179.4	10.2	0	0	111.9	H86 S91 Y92 L123 D127	H86-Q88 PolarHBondContact O-N 2.85Å; Q88-S91 WeakPolarHBondContact O-CB 3.18Å; Q88-S91 PolarHBondContact O-N 3.19Å; Q88-Y92 HydrophobicContact CG-CD2 4.23Å; Q88-Y92 HydrophobicContact CG-CE2 3.74Å; Q88-Y92 WeakPolarHBondContact O-CD2 3.5Å; Q88-Y92 PolarHBondContact O-N 3.43Å; Q88-Y92 VanDerWaalsContact O-N 3.13Å; Q88-L123 HydrophobicContact CB-CB 4.1Å; Q88-L123 HydrophobicContact CG-CB 4.43Å; Q88-D127 WeakPolarHBondContact CB-OD2 3.47Å; Q88-D127 PolarHBondContact N-OD2 3.01Å
89	T	88.9	Confident	83.7	Confident	71 Å²	71	81.5 Å²	81.5	44%	0.436	44%	0.436	S	S	.	.	H	α-helix	trans	-61.8	-44.9	177.3	-51.6	0	0	0	0	111.1	H86 S91 Y92 E93	H86-T89 PolarHBondContact O-N 3.22Å; T89-S91 VanDerWaalsContact C-N 3.3Å; T89-S91 PolarHBondContact O-N 2.84Å; T89-Y92 WeakPolarHBondContact O-CB 3.38Å; T89-Y92 PolarHBondContact O-N 3.4Å; T89-E93 PolarHBondContact O-N 2.96Å
90	L	90.6	Very high	84.7	Confident	79 Å²	79	81.5 Å²	81.5	41%	0.414	44%	0.439	S	S	.	.	H	α-helix	trans	-61.1	-38.6	176	-70.4	168.7	0	0	0	112	T84 H86 Y92 E93 V94	T84-L90 HydrophobicContact CG2-CD1 4.03Å; H86-L90 WeakPolarHBondContact O-CG 3.25Å; H86-L90 PolarHBondContact O-N 3.5Å; L90-Y92 VanDerWaalsContact C-N 3.29Å; L90-Y92 PolarHBondContact O-N 3.24Å; L90-E93 PolarHBondContact O-N 2.98Å; L90-V94 VanDerWaalsContact O-CG2 3.28Å; L90-V94 WeakPolarHBondContact O-CG2 3.42Å; L90-V94 PolarHBondContact O-N 3.06Å
91	S	91.3	Very high	85.3	Confident	14 Å²	14	77.8 Å²	77.8	10%	0.098	42%	0.422	C	S	.	.	H	α-helix	trans	-64.3	-33.7	175	-178.6	0	0	0	0	112.6	A87 Q88 T89 V95 L123	A87-S91 PolarHBondContact O-N 3.41Å; Q88-S91 WeakPolarHBondContact O-CB 3.18Å; Q88-S91 PolarHBondContact O-N 3.19Å; T89-S91 VanDerWaalsContact C-N 3.3Å; T89-S91 PolarHBondContact O-N 2.84Å; S91-V95 WeakPolarHBondContact O-CG2 3.38Å; S91-V95 PolarHBondContact O-N 3.13Å; S91-V95 VanDerWaalsContact O-N 3.11Å; S91-L123 VanDerWaalsContact CB-CD1 3.4Å
92	Y	88.9	Confident	85.4	Confident	111 Å²	111	77.3 Å²	77.3	44%	0.435	42%	0.422	S	S	.	.	H	α-helix	trans	-69.2	-44.6	174.2	-74.9	-63.7	0	0	0	111.4	Q88 T89 L90 V94 V95 E96	Q88-Y92 HydrophobicContact CG-CD2 4.23Å; Q88-Y92 HydrophobicContact CG-CE2 3.74Å; Q88-Y92 WeakPolarHBondContact O-CD2 3.5Å; Q88-Y92 PolarHBondContact O-N 3.43Å; Q88-Y92 VanDerWaalsContact O-N 3.13Å; T89-Y92 WeakPolarHBondContact O-CB 3.38Å; T89-Y92 PolarHBondContact O-N 3.4Å; L90-Y92 VanDerWaalsContact C-N 3.29Å; L90-Y92 PolarHBondContact O-N 3.24Å; Y92-V94 VanDerWaalsContact C-N 3.33Å; Y92-V94 PolarHBondContact O-N 3.46Å; Y92-V95 PolarHBondContact O-N 3.09Å; Y92-V95 VanDerWaalsContact O-N 3.14Å; Y92-E96 WeakPolarHBondContact O-CG 3.25Å; Y92-E96 PolarHBondContact O-N 3.38Å
93	E	89.1	Confident	85.2	Confident	105 Å²	105	80.7 Å²	80.7	49%	0.491	44%	0.441	S	S	.	.	H	α-helix	trans	-59.2	-42.9	175.8	-69.1	174.5	-166.5	0	0	112	T89 L90 V95 E96 L97	T89-E93 PolarHBondContact O-N 2.96Å; L90-E93 PolarHBondContact O-N 2.98Å; E93-V95 VanDerWaalsContact C-N 3.34Å; E93-V95 PolarHBondContact O-N 2.77Å; E93-E96 PolarHBondContact O-N 3.48Å; E93-L97 VanDerWaalsContact O-CG 3.32Å; E93-L97 WeakPolarHBondContact O-CG 3.15Å; E93-L97 PolarHBondContact O-N 3.22Å
94	V	89.1	Confident	85.5	Confident	64 Å²	64	77.1 Å²	77.1	39%	0.388	41%	0.409	S	S	.	.	H	α-helix	trans	-63	-41	175.6	171	0	0	0	0	111.2	L90 Y92 E96 L97 L98 L114	L90-V94 VanDerWaalsContact O-CG2 3.28Å; L90-V94 WeakPolarHBondContact O-CG2 3.42Å; L90-V94 PolarHBondContact O-N 3.06Å; Y92-V94 VanDerWaalsContact C-N 3.33Å; Y92-V94 PolarHBondContact O-N 3.46Å; V94-E96 VanDerWaalsContact C-N 3.34Å; V94-E96 PolarHBondContact O-N 3.41Å; V94-L97 PolarHBondContact O-N 2.78Å; V94-L98 HydrophobicContact CG1-CD1 3.86Å; V94-L98 HydrophobicContact CG1-CG 4.3Å; V94-L98 WeakPolarHBondContact O-CB 3.31Å; V94-L98 WeakPolarHBondContact O-CG 3.37Å; V94-L98 PolarHBondContact O-N 3.11Å; V94-L114 HydrophobicContact CG1-CD1 3.85Å
95	V	87.7	Confident	85.5	Confident	13 Å²	13	79.6 Å²	79.6	8%	0.079	43%	0.427	C	S	.	.	H	α-helix	trans	-64.4	-38.5	177.1	166.8	0	0	0	0	111.9	S91 Y92 E93 L98 H99 L114 Q115	S91-V95 WeakPolarHBondContact O-CG2 3.38Å; S91-V95 PolarHBondContact O-N 3.13Å; S91-V95 VanDerWaalsContact O-N 3.11Å; Y92-V95 PolarHBondContact O-N 3.09Å; Y92-V95 VanDerWaalsContact O-N 3.14Å; E93-V95 VanDerWaalsContact C-N 3.34Å; E93-V95 PolarHBondContact O-N 2.77Å; V95-L98 PolarHBondContact O-N 3.04Å; V95-H99 PolarHBondContact O-N 3.47Å; V95-L114 HydrophobicContact CG2-CB 3.66Å; V95-L114 HydrophobicContact CG2-CD1 3.96Å; V95-L114 HydrophobicContact CG2-CG 4.49Å; V95-Q115 HydrophobicContact CG1-CG 4.06Å; V95-Q115 VanDerWaalsContact CG1-NE2 3.27Å; V95-Q115 HydrophobicContact CG2-CG 4.3Å
96	E	86.4	Confident	85.6	Confident	133 Å²	133	82.9 Å²	82.9	62%	0.621	44%	0.437	S	S	*	.	H	α-helix	trans	-65	-46.6	174.6	-71	-64.9	132.2	0	0	111.5	Y92 E93 V94 L98 H99	Y92-E96 WeakPolarHBondContact O-CG 3.25Å; Y92-E96 PolarHBondContact O-N 3.38Å; E93-E96 PolarHBondContact O-N 3.48Å; V94-E96 VanDerWaalsContact C-N 3.34Å; V94-E96 PolarHBondContact O-N 3.41Å; E96-L98 VanDerWaalsContact C-N 3.29Å; E96-L98 PolarHBondContact O-N 3.03Å; E96-H99 WeakPolarHBondContact O-CA 3.16Å; E96-H99 WeakPolarHBondContact O-CB 3.33Å; E96-H99 PolarHBondContact O-N 3.14Å
97	L	86.9	Confident	85.4	Confident	114 Å²	114	80.3 Å²	80.3	60%	0.597	43%	0.426	S	S	*	.	H	α-helix	trans	-62.3	-36.6	176.4	-70.1	170.4	0	0	0	112.5	E93 V94 H99 E100	E93-L97 VanDerWaalsContact O-CG 3.32Å; E93-L97 WeakPolarHBondContact O-CG 3.15Å; E93-L97 PolarHBondContact O-N 3.22Å; V94-L97 PolarHBondContact O-N 2.78Å; L97-H99 PolarHBondContact O-N 3.26Å; L97-E100 PolarHBondContact O-N 3.21Å
98	L	84.5	Confident	85	Confident	27 Å²	27	85 Å²	85	14%	0.141	45%	0.446	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-16.9	174.1	-69.8	170.6	0	0	0	112.2	V94 V95 E96 T101 I107 L110 R111 L114	V94-L98 HydrophobicContact CG1-CD1 3.86Å; V94-L98 HydrophobicContact CG1-CG 4.3Å; V94-L98 WeakPolarHBondContact O-CB 3.31Å; V94-L98 WeakPolarHBondContact O-CG 3.37Å; V94-L98 PolarHBondContact O-N 3.11Å; V95-L98 PolarHBondContact O-N 3.04Å; E96-L98 VanDerWaalsContact C-N 3.29Å; E96-L98 PolarHBondContact O-N 3.03Å; L98-T101 PolarHBondContact O-OG1 3.35Å; L98-T101 VanDerWaalsContact O-OG1 3.1Å; L98-I107 HydrophobicContact CB-CG2 4.44Å; L98-I107 HydrophobicContact CD2-CG2 4.16Å; L98-L110 HydrophobicContact CD1-CD2 3.83Å; L98-L110 HydrophobicContact CD1-CG 4.05Å; L98-R111 PolarHBondContact O-NH2 2.91Å; L98-L114 HydrophobicContact CD1-CD1 4.36Å
99	H	80.1	Confident	84.9	Confident	131 Å²	131	88.2 Å²	88.2	61%	0.606	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-30.8	175.9	-155.2	56.8	0	0	0	112.5	V95 E96 L97	V95-H99 PolarHBondContact O-N 3.47Å; E96-H99 WeakPolarHBondContact O-CA 3.16Å; E96-H99 WeakPolarHBondContact O-CB 3.33Å; E96-H99 PolarHBondContact O-N 3.14Å; L97-H99 PolarHBondContact O-N 3.26Å
100	E	77.6	Confident	84.9	Confident	173 Å²	173	88.7 Å²	88.7	81%	0.808	46%	0.46	S	S	*	.	S	Bend	trans	-85.2	-3.6	-177.5	-58.7	-168.9	155.2	0	0	114.1	L97	L97-E100 PolarHBondContact O-N 3.21Å
101	T	76.8	Confident	84.7	Confident	58 Å²	58	87.2 Å²	87.2	36%	0.356	45%	0.449	S	S	.	.	S	Bend	trans	-101.2	149.8	-176.2	41.4	0	0	0	0	113.2	L98 T103	L98-T101 PolarHBondContact O-OG1 3.35Å; L98-T101 VanDerWaalsContact O-OG1 3.1Å; T101-T103 PolarHBondContact O-N 2.78Å
102	P	75.3	Confident	84.5	Confident	113 Å²	113	92.6 Å²	92.6	73%	0.734	47%	0.473	S	S	*	.			trans	-62.5	135	-179.7	23.1	-31.4	0	0	0	111.7	S104 I107	P102-S104 PolarHBondContact O-N 3.22Å; P102-I107 WeakPolarHBondContact O-CD1 3.22Å
103	T	74.8	Confident	84.6	Confident	124 Å²	124	92.2 Å²	92.2	76%	0.761	48%	0.476	S	S	*	.			trans	-66.8	101.4	-171.5	49	0	0	0	0	112.8	T101	T101-T103 PolarHBondContact O-N 2.78Å
104	S	86.3	Confident	84.6	Confident	36 Å²	36	88.2 Å²	88.2	25%	0.252	46%	0.458	S	S	.	.			trans	-94.2	155.3	160.6	95.4	0	0	0	0	110	P102 E106 I107 Q108	P102-S104 PolarHBondContact O-N 3.22Å; S104-E106 VanDerWaalsContact CB-OE2 3.3Å; S104-E106 WeakPolarHBondContact CB-OE2 3.38Å; S104-E106 PolarHBondContact O-N 3.44Å; S104-E106 PolarHBondContact OG-N 3.28Å; S104-E106 PolarHBondContact OG-OE2 2.96Å; S104-I107 PolarHBondContact O-N 2.85Å; S104-I107 WeakPolarHBondContact OG-CG1 3.34Å; S104-I107 PolarHBondContact OG-N 2.86Å; S104-Q108 PolarHBondContact O-N 2.84Å; S104-Q108 VanDerWaalsContact O-N 3.16Å
105	P	85.3	Confident	84.6	Confident	90 Å²	90	89.4 Å²	89.4	58%	0.584	46%	0.459	S	S	*	.	H	α-helix	trans	-60.8	-33.1	178	23.4	-30.8	0	0	0	112.3	Q108 E109	P105-Q108 PolarHBondContact O-N 2.8Å; P105-E109 PolarHBondContact O-N 3.09Å
106	E	87.5	Confident	84.8	Confident	122 Å²	122	89.6 Å²	89.6	57%	0.57	46%	0.462	S	S	*	.	H	α-helix	trans	-69.1	-38.5	177.5	-55.3	76	-164.4	0	0	112	S104 Q108 E109 L110	S104-E106 VanDerWaalsContact CB-OE2 3.3Å; S104-E106 WeakPolarHBondContact CB-OE2 3.38Å; S104-E106 PolarHBondContact O-N 3.44Å; S104-E106 PolarHBondContact OG-N 3.28Å; S104-E106 PolarHBondContact OG-OE2 2.96Å; E106-Q108 VanDerWaalsContact C-N 3.29Å; E106-Q108 PolarHBondContact O-N 3.38Å; E106-E109 PolarHBondContact O-N 3.2Å; E106-L110 WeakPolarHBondContact O-CB 3.41Å; E106-L110 PolarHBondContact O-N 2.9Å
107	I	85.1	Confident	85	Confident	38 Å²	38	87.8 Å²	87.8	20%	0.195	46%	0.462	C	S	.	.	H	α-helix	trans	-64.9	-37.6	175.5	-70	167.8	0	0	0	110.5	L98 P102 S104 R111	L98-I107 HydrophobicContact CB-CG2 4.44Å; L98-I107 HydrophobicContact CD2-CG2 4.16Å; P102-I107 WeakPolarHBondContact O-CD1 3.22Å; S104-I107 PolarHBondContact O-N 2.85Å; S104-I107 WeakPolarHBondContact OG-CG1 3.34Å; S104-I107 PolarHBondContact OG-N 2.86Å; I107-R111 VanDerWaalsContact O-CB 3.32Å; I107-R111 WeakPolarHBondContact O-CB 3.41Å; I107-R111 PolarHBondContact O-N 3.3Å
108	Q	82.7	Confident	85.2	Confident	114 Å²	114	89.1 Å²	89.1	53%	0.533	47%	0.465	S	S	.	.	H	α-helix	trans	-69	-40.5	177.8	-169.4	172.7	3.2	0	0	111.9	S104 P105 E106 R111 Q112	S104-Q108 PolarHBondContact O-N 2.84Å; S104-Q108 VanDerWaalsContact O-N 3.16Å; P105-Q108 PolarHBondContact O-N 2.8Å; E106-Q108 VanDerWaalsContact C-N 3.29Å; E106-Q108 PolarHBondContact O-N 3.38Å; Q108-R111 PolarHBondContact O-N 2.85Å; Q108-Q112 WeakPolarHBondContact O-CG 3.37Å; Q108-Q112 PolarHBondContact O-N 3.44Å
109	E	88.6	Confident	85.5	Confident	123 Å²	123	91.3 Å²	91.3	58%	0.575	47%	0.473	S	S	*	.	H	α-helix	trans	-63.5	-49.1	175.2	-175.1	176.8	-169.8	0	0	111.6	P105 E106 R111 Q112 M113	P105-E109 PolarHBondContact O-N 3.09Å; E106-E109 PolarHBondContact O-N 3.2Å; E109-R111 VanDerWaalsContact C-N 3.29Å; E109-R111 PolarHBondContact O-N 3.49Å; E109-Q112 PolarHBondContact O-N 2.88Å; E109-Q112 VanDerWaalsContact O-N 3.11Å; E109-M113 PolarHBondContact O-N 3.12Å
110	L	88.8	Confident	85.9	Confident	80 Å²	80	88.2 Å²	88.2	42%	0.419	46%	0.458	S	S	.	.	H	α-helix	trans	-59.9	-40.9	178.1	-179.3	60	0	0	0	111.7	L98 E106 Q112 M113 L114	L98-L110 HydrophobicContact CD1-CD2 3.83Å; L98-L110 HydrophobicContact CD1-CG 4.05Å; E106-L110 WeakPolarHBondContact O-CB 3.41Å; E106-L110 PolarHBondContact O-N 2.9Å; L110-Q112 PolarHBondContact O-N 2.94Å; L110-M113 PolarHBondContact O-N 3.24Å; L110-L114 HydrophobicContact CD1-CD1 4.13Å; L110-L114 HydrophobicContact CD1-CG 4.13Å; L110-L114 HydrophobicContact CG-CD1 4.12Å; L110-L114 HydrophobicContact CG-CG 4.48Å; L110-L114 WeakPolarHBondContact O-CG 3.34Å; L110-L114 PolarHBondContact O-N 3.5Å
111	R	85.7	Confident	86.4	Confident	48 Å²	48	82.8 Å²	82.8	18%	0.181	44%	0.443	C	S	.	.	H	α-helix	trans	-61.8	-44.2	175.8	-169.9	-174.4	-62.1	173.3	3	111.4	L98 I107 Q108 E109 M113 Q115	L98-R111 PolarHBondContact O-NH2 2.91Å; I107-R111 VanDerWaalsContact O-CB 3.32Å; I107-R111 WeakPolarHBondContact O-CB 3.41Å; I107-R111 PolarHBondContact O-N 3.3Å; Q108-R111 PolarHBondContact O-N 2.85Å; E109-R111 VanDerWaalsContact C-N 3.29Å; E109-R111 PolarHBondContact O-N 3.49Å; R111-M113 VanDerWaalsContact C-N 3.35Å; R111-M113 PolarHBondContact O-N 2.98Å; R111-Q115 HydrophobicContact CG-CG 4.41Å; R111-Q115 VanDerWaalsContact O-CB 3.24Å; R111-Q115 WeakPolarHBondContact O-CB 3.15Å; R111-Q115 VanDerWaalsContact O-CG 3.23Å; R111-Q115 WeakPolarHBondContact O-CG 3.22Å; R111-Q115 PolarHBondContact O-N 3.02Å
112	Q	87.5	Confident	87.2	Confident	128 Å²	128	85.3 Å²	85.3	60%	0.598	45%	0.453	S	S	*	.	H	α-helix	trans	-62.9	-41	177.2	-76.2	-179	-1.4	0	0	112	Q108 E109 L110 A116	Q108-Q112 WeakPolarHBondContact O-CG 3.37Å; Q108-Q112 PolarHBondContact O-N 3.44Å; E109-Q112 PolarHBondContact O-N 2.88Å; E109-Q112 VanDerWaalsContact O-N 3.11Å; L110-Q112 PolarHBondContact O-N 2.94Å; Q112-A116 PolarHBondContact O-N 3.47Å
113	M	90.2	Very high	87.9	Confident	102 Å²	102	81.2 Å²	81.2	50%	0.502	43%	0.425	S	S	.	.	H	α-helix	trans	-64.9	-48.8	177.5	-71.9	-173.5	68.6	0	0	112.6	E109 L110 R111 Q115 A116 F119	E109-M113 PolarHBondContact O-N 3.12Å; L110-M113 PolarHBondContact O-N 3.24Å; R111-M113 VanDerWaalsContact C-N 3.35Å; R111-M113 PolarHBondContact O-N 2.98Å; M113-Q115 VanDerWaalsContact C-N 3.29Å; M113-Q115 PolarHBondContact O-N 3.43Å; M113-A116 VanDerWaalsContact O-CB 3.23Å; M113-A116 WeakPolarHBondContact O-CB 3.25Å; M113-A116 PolarHBondContact O-N 3.45Å; M113-F119 VanDerWaalsContact O-CB 3.29Å; M113-F119 WeakPolarHBondContact O-CB 3.48Å
114	L	89.8	Confident	88.6	Confident	21 Å²	21	77.6 Å²	77.6	11%	0.11	41%	0.405	C	S	.	.	H	α-helix	trans	-67.3	-30.8	180	-67.1	177.9	0	0	0	112.3	V94 V95 L98 L110 A116 F119	V94-L114 HydrophobicContact CG1-CD1 3.85Å; V95-L114 HydrophobicContact CG2-CB 3.66Å; V95-L114 HydrophobicContact CG2-CD1 3.96Å; V95-L114 HydrophobicContact CG2-CG 4.49Å; L98-L114 HydrophobicContact CD1-CD1 4.36Å; L110-L114 HydrophobicContact CD1-CD1 4.13Å; L110-L114 HydrophobicContact CD1-CG 4.13Å; L110-L114 HydrophobicContact CG-CD1 4.12Å; L110-L114 HydrophobicContact CG-CG 4.48Å; L110-L114 WeakPolarHBondContact O-CG 3.34Å; L110-L114 PolarHBondContact O-N 3.5Å; L114-A116 VanDerWaalsContact C-N 3.33Å; L114-F119 HydrophobicContact CD2-CD1 3.91Å; L114-F119 HydrophobicContact CD2-CE1 3.54Å; L114-F119 HydrophobicContact CD2-CZ 4.39Å
115	Q	88.5	Confident	88.7	Confident	90 Å²	90	78.1 Å²	78.1	42%	0.421	41%	0.412	S	S	.	.	H	α-helix	trans	-81.6	-12.6	176.9	-69.7	-178.3	-15.9	0	0	113.5	V95 R111 M113 K120	V95-Q115 HydrophobicContact CG1-CG 4.06Å; V95-Q115 VanDerWaalsContact CG1-NE2 3.27Å; V95-Q115 HydrophobicContact CG2-CG 4.3Å; R111-Q115 HydrophobicContact CG-CG 4.41Å; R111-Q115 VanDerWaalsContact O-CB 3.24Å; R111-Q115 WeakPolarHBondContact O-CB 3.15Å; R111-Q115 VanDerWaalsContact O-CG 3.23Å; R111-Q115 WeakPolarHBondContact O-CG 3.22Å; R111-Q115 PolarHBondContact O-N 3.02Å; M113-Q115 VanDerWaalsContact C-N 3.29Å; M113-Q115 PolarHBondContact O-N 3.43Å; Q115-K120 PolarHBondContact O-NZ 3.32Å
116	A	93.5	Very high	89	Confident	17 Å²	17	77.3 Å²	77.3	14%	0.14	40%	0.4	C	S	.	.	S	Bend	trans	-61.3	136.7	-178.8	0	0	0	0	0	111.2	Q112 M113 L114 H118 F119 K120	Q112-A116 PolarHBondContact O-N 3.47Å; M113-A116 VanDerWaalsContact O-CB 3.23Å; M113-A116 WeakPolarHBondContact O-CB 3.25Å; M113-A116 PolarHBondContact O-N 3.45Å; L114-A116 VanDerWaalsContact C-N 3.33Å; A116-H118 VanDerWaalsContact C-N 3.26Å; A116-H118 PolarHBondContact O-N 3.42Å; A116-F119 HydrophobicContact CB-CB 4.41Å; A116-F119 PolarHBondContact O-N 3.09Å; A116-K120 PolarHBondContact O-N 2.99Å
117	P	89.4	Confident	89.1	Confident	94 Å²	94	71.9 Å²	71.9	61%	0.61	38%	0.375	S	S	*	.	H	α-helix	trans	-62.4	-33.2	-172.6	22.7	-32.2	0	0	0	112.8	A121	P117-A121 VanDerWaalsContact O-CB 3.3Å; P117-A121 WeakPolarHBondContact O-CB 3.25Å; P117-A121 PolarHBondContact O-N 3Å
118	H	91.4	Very high	89.1	Confident	142 Å²	142	72.8 Å²	72.8	66%	0.657	38%	0.382	S	S	*	.	H	α-helix	trans	-67.8	-37.8	176.7	9.5	-77.7	0	0	0	111.9	A116 A121 L122	A116-H118 VanDerWaalsContact C-N 3.26Å; A116-H118 PolarHBondContact O-N 3.42Å; H118-A121 PolarHBondContact O-N 3.02Å; H118-L122 WeakPolarHBondContact O-CB 3.19Å; H118-L122 PolarHBondContact O-N 3.49Å
119	F	90.3	Very high	89.2	Confident	74 Å²	74	72.8 Å²	72.8	33%	0.325	39%	0.385	S	S	.	.	H	α-helix	trans	-71.5	-40.9	178.5	-150.4	-94.8	0	0	0	111	M113 L114 A116 L122 L123	M113-F119 VanDerWaalsContact O-CB 3.29Å; M113-F119 WeakPolarHBondContact O-CB 3.48Å; L114-F119 HydrophobicContact CD2-CD1 3.91Å; L114-F119 HydrophobicContact CD2-CE1 3.54Å; L114-F119 HydrophobicContact CD2-CZ 4.39Å; A116-F119 HydrophobicContact CB-CB 4.41Å; A116-F119 PolarHBondContact O-N 3.09Å; F119-L122 WeakPolarHBondContact O-CB 3.32Å; F119-L122 PolarHBondContact O-N 2.91Å; F119-L123 HydrophobicContact CD1-CD1 3.92Å; F119-L123 HydrophobicContact CD1-CG 4.26Å; F119-L123 HydrophobicContact CE1-CD1 4.04Å; F119-L123 HydrophobicContact CE1-CG 4.32Å; F119-L123 WeakPolarHBondContact O-CG 3.24Å; F119-L123 PolarHBondContact O-N 3.45Å
120	K	89.8	Confident	89	Confident	66 Å²	66	68 Å²	68	29%	0.287	37%	0.365	S	S	.	.	H	α-helix	trans	-61.3	-43.6	171.9	-73.1	176.7	171	163.7	0	112.7	Q115 A116 L122 L123 S124	Q115-K120 PolarHBondContact O-NZ 3.32Å; A116-K120 PolarHBondContact O-N 2.99Å; K120-L122 VanDerWaalsContact C-N 3.33Å; K120-L123 PolarHBondContact O-N 3.06Å; K120-S124 WeakPolarHBondContact O-CB 3.18Å; K120-S124 PolarHBondContact O-N 3.47Å
121	A	87.9	Confident	88.8	Confident	59 Å²	59	68.5 Å²	68.5	49%	0.488	37%	0.366	S	S	.	.	H	α-helix	trans	-64.1	-39.1	176.4	0	0	0	0	0	111.8	P117 H118 S124 A125	P117-A121 VanDerWaalsContact O-CB 3.3Å; P117-A121 WeakPolarHBondContact O-CB 3.25Å; P117-A121 PolarHBondContact O-N 3Å; H118-A121 PolarHBondContact O-N 3.02Å; A121-S124 PolarHBondContact O-N 2.63Å; A121-A125 WeakPolarHBondContact O-CB 3.43Å; A121-A125 PolarHBondContact O-N 3.33Å
122	L	92	Very high	88.3	Confident	111 Å²	111	74 Å²	74	58%	0.581	39%	0.391	S	S	*	.	H	α-helix	trans	-62.6	-46.6	175.6	-179.2	66.2	0	0	0	111.9	H118 F119 K120 A125 H126	H118-L122 WeakPolarHBondContact O-CB 3.19Å; H118-L122 PolarHBondContact O-N 3.49Å; F119-L122 WeakPolarHBondContact O-CB 3.32Å; F119-L122 PolarHBondContact O-N 2.91Å; K120-L122 VanDerWaalsContact C-N 3.33Å; L122-A125 PolarHBondContact O-N 3.15Å; L122-H126 WeakPolarHBondContact O-CB 3.49Å; L122-H126 PolarHBondContact O-N 3.36Å
123	L	91.8	Very high	87.5	Confident	27 Å²	27	72 Å²	72	14%	0.141	39%	0.385	C	S	.	.	H	α-helix	trans	-65.9	-38.3	177.6	-67.2	175.2	0	0	0	112.1	A87 Q88 S91 F119 K120 H126 D127	A87-L123 HydrophobicContact CB-CD2 3.89Å; Q88-L123 HydrophobicContact CB-CB 4.1Å; Q88-L123 HydrophobicContact CG-CB 4.43Å; S91-L123 VanDerWaalsContact CB-CD1 3.4Å; F119-L123 HydrophobicContact CD1-CD1 3.92Å; F119-L123 HydrophobicContact CD1-CG 4.26Å; F119-L123 HydrophobicContact CE1-CD1 4.04Å; F119-L123 HydrophobicContact CE1-CG 4.32Å; F119-L123 WeakPolarHBondContact O-CG 3.24Å; F119-L123 PolarHBondContact O-N 3.45Å; K120-L123 PolarHBondContact O-N 3.06Å; L123-H126 WeakPolarHBondContact O-CB 3.44Å; L123-H126 PolarHBondContact O-N 2.98Å; L123-D127 PolarHBondContact O-N 3.23Å
124	S	88.9	Confident	86.6	Confident	47 Å²	47	73.1 Å²	73.1	33%	0.329	39%	0.387	S	S	.	.	H	α-helix	trans	-62.7	-47.7	174.1	175.3	0	0	0	0	111.6	K120 A121 H126 D127 T128	K120-S124 WeakPolarHBondContact O-CB 3.18Å; K120-S124 PolarHBondContact O-N 3.47Å; A121-S124 PolarHBondContact O-N 2.63Å; S124-H126 VanDerWaalsContact C-N 3.32Å; S124-H126 PolarHBondContact O-N 3.25Å; S124-D127 PolarHBondContact O-N 3.18Å; S124-T128 PolarHBondContact O-N 3.36Å; S124-T128 PolarHBondContact O-OG1 3.48Å
125	A	88.3	Confident	85.3	Confident	48 Å²	48	79 Å²	79	40%	0.397	41%	0.414	S	S	.	.	H	α-helix	trans	-63.6	-38.2	177.2	0	0	0	0	0	112.2	A121 L122 I129	A121-A125 WeakPolarHBondContact O-CB 3.43Å; A121-A125 PolarHBondContact O-N 3.33Å; L122-A125 PolarHBondContact O-N 3.15Å; A125-I129 WeakPolarHBondContact O-CG1 3.45Å; A125-I129 PolarHBondContact O-N 2.9Å; A125-I129 VanDerWaalsContact O-N 3.14Å
126	H	90.7	Very high	83.7	Confident	72 Å²	72	80.3 Å²	80.3	33%	0.333	43%	0.43	S	S	.	.	H	α-helix	trans	-58.1	-50	172	168.1	-85.6	0	0	0	111.3	T84 L122 L123 S124 T128 I129 A130	T84-H126 PolarHBondContact O-CE1 3.23Å; L122-H126 WeakPolarHBondContact O-CB 3.49Å; L122-H126 PolarHBondContact O-N 3.36Å; L123-H126 WeakPolarHBondContact O-CB 3.44Å; L123-H126 PolarHBondContact O-N 2.98Å; S124-H126 VanDerWaalsContact C-N 3.32Å; S124-H126 PolarHBondContact O-N 3.25Å; H126-T128 PolarHBondContact O-N 3.3Å; H126-I129 PolarHBondContact O-N 2.92Å; H126-A130 VanDerWaalsContact O-CB 3.25Å; H126-A130 WeakPolarHBondContact O-CB 3.45Å; H126-A130 PolarHBondContact O-N 3.34Å
127	D	91.3	Very high	81.9	Confident	9 Å²	9	86.9 Å²	86.9	5%	0.048	46%	0.462	C	S	.	.	H	α-helix	trans	-65.8	-39.8	-177.5	-71.9	-0.4	0	0	0	111.5	H86 A87 Q88 L123 S124 I129 A130 Q131	H86-D127 VanDerWaalsContact C-OD2 3.3Å; H86-D127 WeakPolarHBondContact CA-OD2 3.32Å; A87-D127 WeakPolarHBondContact CB-OD1 3.27Å; A87-D127 VanDerWaalsContact N-CG 3.33Å; A87-D127 PolarHBondContact N-OD1 3.19Å; A87-D127 PolarHBondContact N-OD2 3.43Å; Q88-D127 WeakPolarHBondContact CB-OD2 3.47Å; Q88-D127 PolarHBondContact N-OD2 3.01Å; L123-D127 PolarHBondContact O-N 3.23Å; S124-D127 PolarHBondContact O-N 3.18Å; D127-I129 VanDerWaalsContact C-N 3.32Å; D127-I129 PolarHBondContact O-N 3.16Å; D127-A130 PolarHBondContact O-N 3.48Å; D127-Q131 VanDerWaalsContact O-CB 3.25Å; D127-Q131 WeakPolarHBondContact O-CB 3.2Å; D127-Q131 WeakPolarHBondContact O-CG 3.45Å; D127-Q131 PolarHBondContact O-N 2.98Å
128	T	84.4	Confident	80	Confident	56 Å²	56	89.8 Å²	89.8	34%	0.344	47%	0.471	S	S	.	.	H	α-helix	trans	-55.9	-45	172.2	-56.3	0	0	0	0	112.1	S124 H126 K132 D133	S124-T128 PolarHBondContact O-N 3.36Å; S124-T128 PolarHBondContact O-OG1 3.48Å; H126-T128 PolarHBondContact O-N 3.3Å; T128-K132 PolarHBondContact O-N 2.91Å; T128-D133 WeakPolarHBondContact CG2-O 3.47Å; T128-D133 PolarHBondContact O-N 3.31Å
129	I	84.4	Confident	78.6	Confident	115 Å²	115	88.1 Å²	88.1	59%	0.59	47%	0.473	S	S	*	.	H	α-helix	trans	-71.4	-43.8	178.4	-65.2	167.6	0	0	0	111	A125 H126 D127 Q131 K132	A125-I129 WeakPolarHBondContact O-CG1 3.45Å; A125-I129 PolarHBondContact O-N 2.9Å; A125-I129 VanDerWaalsContact O-N 3.14Å; H126-I129 PolarHBondContact O-N 2.92Å; D127-I129 VanDerWaalsContact C-N 3.32Å; D127-I129 PolarHBondContact O-N 3.16Å; I129-Q131 VanDerWaalsContact C-N 3.32Å; I129-Q131 PolarHBondContact O-N 3.3Å; I129-K132 PolarHBondContact O-N 2.72Å; I129-K132 VanDerWaalsContact O-N 3.09Å
130	A	85.4	Confident	76.9	Confident	21 Å²	21	90.5 Å²	90.5	17%	0.174	50%	0.496	C	S	.	.	H	α-helix	trans	-64.8	-35.7	-178	0	0	0	0	0	112.4	P82 H126 D127 K132	P82-A130 HydrophobicContact CB-CB 3.65Å; P82-A130 HydrophobicContact CG-CB 3.78Å; H126-A130 VanDerWaalsContact O-CB 3.25Å; H126-A130 WeakPolarHBondContact O-CB 3.45Å; H126-A130 PolarHBondContact O-N 3.34Å; D127-A130 PolarHBondContact O-N 3.48Å; A130-K132 VanDerWaalsContact C-N 3.27Å
131	Q	83.2	Confident	74.8	Confident	92 Å²	92	93.9 Å²	93.9	43%	0.43	52%	0.517	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-5.7	175.6	-65.9	175.2	17.7	0	0	113.1	P85 D127 I129 D133	P85-Q131 HydrophobicContact CB-CG 3.98Å; P85-Q131 PolarHBondContact O-NE2 2.95Å; D127-Q131 VanDerWaalsContact O-CB 3.25Å; D127-Q131 WeakPolarHBondContact O-CB 3.2Å; D127-Q131 WeakPolarHBondContact O-CG 3.45Å; D127-Q131 PolarHBondContact O-N 2.98Å; I129-Q131 VanDerWaalsContact C-N 3.32Å; I129-Q131 PolarHBondContact O-N 3.3Å; Q131-D133 HydrophobicContact CB-CB 4.42Å; Q131-D133 PolarHBondContact O-N 3Å
132	K	76.1	Confident	73.8	Confident	162 Å²	162	95.6 Å²	95.6	70%	0.704	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.1	27.1	-173.5	-53.5	-179.2	178.6	-179.8	0	114.2	T128 I129 A130 F134	T128-K132 PolarHBondContact O-N 2.91Å; I129-K132 PolarHBondContact O-N 2.72Å; I129-K132 VanDerWaalsContact O-N 3.09Å; A130-K132 VanDerWaalsContact C-N 3.27Å; K132-F134 VanDerWaalsContact CA-CE1 3.48Å; K132-F134 HydrophobicContact CB-CE1 3.88Å; K132-F134 HydrophobicContact CB-CZ 4.37Å; K132-F134 HydrophobicContact CG-CE1 4.24Å; K132-F134 PolarHBondContact O-N 3.22Å; K132-F134 VanDerWaalsContact O-N 3.15Å
133	D	70.8	Confident	72.2	Confident	88 Å²	88	98.3 Å²	98.3	47%	0.471	54%	0.538	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	49.6	-179.1	-168.8	28.6	0	0	0	111.2	T128 Q131	T128-D133 WeakPolarHBondContact CG2-O 3.47Å; T128-D133 PolarHBondContact O-N 3.31Å; Q131-D133 HydrophobicContact CB-CB 4.42Å; Q131-D133 PolarHBondContact O-N 3Å
134	F	69.8	Low	70.3	Confident	125 Å²	125	104.5 Å²	104.5	55%	0.548	57%	0.571	S	S	.	*	T	Hydrogen-bonded Turn	trans	-113.8	-2.4	-178.9	53.6	-104.2	0	0	0	113	K132	K132-F134 VanDerWaalsContact CA-CE1 3.48Å; K132-F134 HydrophobicContact CB-CE1 3.88Å; K132-F134 HydrophobicContact CB-CZ 4.37Å; K132-F134 HydrophobicContact CG-CE1 4.24Å; K132-F134 PolarHBondContact O-N 3.22Å; K132-F134 VanDerWaalsContact O-N 3.15Å
135	E	62.9	Low	68.7	Low	144 Å²	144	106.3 Å²	106.3	67%	0.673	58%	0.577	S	S	*	*	S	Bend	trans	-96.7	141.3	175.7	-69.3	-175.4	174.4	0	0	110.6	L137	E135-L137 PolarHBondContact O-N 3.17Å
136	P	56.3	Low	67.1	Low	117 Å²	117	107.9 Å²	107.9	76%	0.76	58%	0.582	S	S	*	*			trans	-64.2	119.9	178.4	25.5	-32	0	0	0	110.4	L138	P136-L138 PolarHBondContact O-N 3.11Å; P136-L138 VanDerWaalsContact O-N 3.11Å
137	L	55.6	Low	65.3	Low	155 Å²	155	114.5 Å²	114.5	81%	0.812	61%	0.614	S	S	*	*			trans	-65.2	109.8	175.6	-66.3	171.1	0	0	0	109.9	E135	E135-L137 PolarHBondContact O-N 3.17Å
138	L	48.8	Very low	63.5	Low	155 Å²	155	119 Å²	119	81%	0.812	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-74.4	145.2	171.2	-68.9	171.3	0	0	0	110.1	P136	P136-L138 PolarHBondContact O-N 3.11Å; P136-L138 VanDerWaalsContact O-N 3.11Å
139	P	61	Low	62.2	Low	107 Å²	107	122.3 Å²	122.3	70%	0.695	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-58.6	144.9	171	-15.6	27.8	0	0	0	110.5	L141	P139-L141 PolarHBondContact O-N 3.41Å
140	P	55.2	Low	61.2	Low	124 Å²	124	122.5 Å²	122.5	81%	0.805	66%	0.656	S	S	*	*	P	Polyproline II helix	trans	-61.1	134.4	174	25.4	-32.1	0	0	0	110
141	L	46.6	Very low	60.6	Low	137 Å²	137	125.6 Å²	125.6	72%	0.717	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-63.7	137.4	176.4	-71.1	161.7	0	0	0	109.5	P139 I145	P139-L141 PolarHBondContact O-N 3.41Å; L141-I145 HydrophobicContact CB-CD1 4.06Å; L141-I145 HydrophobicContact CD2-CD1 3.83Å; L141-I145 HydrophobicContact CG-CD1 4.41Å
142	P	66.4	Low	60.5	Low	96 Å²	96	124.6 Å²	124.6	62%	0.623	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-62.3	142.5	174.2	-0.4	5	0	0	0	111.5	N144 I145	P142-N144 PolarHBondContact O-N 3.23Å; P142-I145 WeakPolarHBondContact O-CG1 3.33Å
143	D	58	Low	61	Low	168 Å²	168	120.5 Å²	120.5	90%	0.898	66%	0.658	S	S	*	*	S	Bend	trans	-67	-0.9	-174.1	-64.9	-45.4	0	0	0	115.7
144	N	52.8	Low	61.8	Low	157 Å²	157	122 Å²	122	84%	0.84	66%	0.664	S	S	*	*			trans	-124.5	58.9	-176.6	-76.4	-34.4	0	0	0	111.7	P142	P142-N144 PolarHBondContact O-N 3.23Å
145	I	55.2	Low	62.7	Low	85 Å²	85	116 Å²	116	44%	0.436	64%	0.638	S	S	.	*			trans	-99.8	116.5	166.4	-47.6	172	0	0	0	106.8	L141 P142 E147	L141-I145 HydrophobicContact CB-CD1 4.06Å; L141-I145 HydrophobicContact CD2-CD1 3.83Å; L141-I145 HydrophobicContact CG-CD1 4.41Å; P142-I145 WeakPolarHBondContact O-CG1 3.33Å; I145-E147 PolarHBondContact O-N 3.33Å
146	P	55.2	Low	63.9	Low	80 Å²	80	112 Å²	112	52%	0.519	63%	0.626	S	S	.	*			trans	-58.6	132.3	171.3	23	-29.5	0	0	0	109.1	S148 E149	P146-S148 PolarHBondContact O-N 3.23Å; P146-E149 HydrophobicContact CG-CG 4.3Å; P146-E149 PolarHBondContact O-N 3.47Å
147	E	52.3	Low	65.3	Low	211 Å²	211	106.8 Å²	106.8	99%	0.986	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.7	8.1	-176.4	-71.7	-176.8	151.5	0	0	115	I145	I145-E147 PolarHBondContact O-N 3.33Å
148	S	52.5	Low	66.6	Low	105 Å²	105	104.2 Å²	104.2	73%	0.734	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.2	1.1	-173.2	-174	0	0	0	0	114.7	P146 E150	P146-S148 PolarHBondContact O-N 3.23Å; S148-E150 PolarHBondContact O-N 3.39Å
149	E	56.8	Low	68.1	Low	125 Å²	125	99.3 Å²	99.3	58%	0.584	55%	0.554	S	S	*	*			trans	-79	105.1	175.9	-80.1	-171.7	174	0	0	110.7	P146 A151 M152	P146-E149 HydrophobicContact CG-CG 4.3Å; P146-E149 PolarHBondContact O-N 3.47Å; E149-A151 PolarHBondContact O-N 3.48Å; E149-M152 HydrophobicContact CB-CE 4.31Å; E149-M152 HydrophobicContact CG-CE 4.12Å
150	E	63.8	Low	68.9	Low	118 Å²	118	97.7 Å²	97.7	55%	0.551	54%	0.539	S	S	*	.			trans	-49.5	137.4	167.6	-64.8	174.2	153	0	0	109.8	S148 M152 V232	S148-E150 PolarHBondContact O-N 3.39Å; E150-M152 WeakPolarHBondContact O-CG 3.49Å; E150-M152 PolarHBondContact O-N 3.24Å; E150-V232 HydrophobicContact CB-CG1 3.79Å; E150-V232 HydrophobicContact CB-CG2 4.26Å; E150-V232 HydrophobicContact CG-CG1 4.47Å; E150-V232 WeakPolarHBondContact OE2-CG1 3.39Å
151	A	72.8	Confident	69.7	Low	86 Å²	86	101.7 Å²	101.7	71%	0.711	55%	0.547	S	S	*	.			trans	-61	103.8	-175.8	0	0	0	0	0	111.1	E149 P233	E149-A151 PolarHBondContact O-N 3.48Å; A151-P233 WeakPolarHBondContact O-CD 3.47Å
152	M	82.1	Confident	71.1	Confident	71 Å²	71	100 Å²	100	35%	0.35	54%	0.535	S	S	.	.			trans	-85.4	139.5	-177	-48.5	-169.5	-153	0	0	111	E149 E150 K230 V231 V232	E149-M152 HydrophobicContact CB-CE 4.31Å; E149-M152 HydrophobicContact CG-CE 4.12Å; E150-M152 WeakPolarHBondContact O-CG 3.49Å; E150-M152 PolarHBondContact O-N 3.24Å; M152-K230 HydrophobicContact CB-CG 4.32Å; M152-K230 HydrophobicContact SD-CD 4.23Å; M152-K230 WeakPolarHBondContact SD-CE 3.48Å; M152-K230 HydrophobicContact SD-CG 4.27Å; M152-V231 CarbonylContact C-O 3.55Å; M152-V231 WeakPolarHBondContact CA-O 3.41Å; M152-V232 HydrophobicContact CG-CG2 4.26Å
153	R	86.9	Confident	71.9	Confident	77 Å²	77	99.9 Å²	99.9	29%	0.291	54%	0.535	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	134.7	175.1	-177.6	176.8	66.9	-156.6	-8	109.9	V155 L193 D198 V231	R153-V155 HydrophobicContact CG-CG2 4.03Å; R153-L193 VanDerWaalsContact CZ-O 3.24Å; R153-L193 PolarHBondContact NH2-O 2.84Å; R153-D198 IonicContact NH2-OD1 3.76Å; R153-D198 IonicContact NH2-OD2 3.71Å; R153-D198 PolarHBondContact NH2-OD2 3.05Å; R153-V231 HydrophobicContact CB-CG2 4.07Å; R153-V231 PolarHBondContact N-O 3.08Å; R153-V231 WeakPolarHBondContact O-CG2 3.5Å; R153-V231 PolarHBondContact O-N 2.95Å
154	I	87.6	Confident	73.3	Confident	118 Å²	118	92.9 Å²	92.9	61%	0.605	50%	0.498	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.8	123.7	169.6	-58.6	176.1	0	0	0	108.5	M228 F229	I154-M228 HydrophobicContact CG2-SD 4.49Å; I154-F229 CarbonylContact C-O 3.57Å; I154-F229 WeakPolarHBondContact CA-O 3.47Å
155	V	87.6	Confident	75	Confident	1 Å²	1	85.8 Å²	85.8	1%	0.006	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	124.5	-179.4	174.6	0	0	0	0	109.4	R153 L157 L193 L194 M228 F229 V231	R153-V155 HydrophobicContact CG-CG2 4.03Å; V155-L157 HydrophobicContact CG1-CD2 4.45Å; V155-L157 HydrophobicContact CG1-CG 4.28Å; V155-L193 HydrophobicContact CB-CB 4.37Å; V155-L193 HydrophobicContact CG1-CB 3.42Å; V155-L193 VanDerWaalsContact CG1-CB 3.42Å; V155-L193 HydrophobicContact CG1-CD1 4.02Å; V155-L193 HydrophobicContact CG1-CG 4.37Å; V155-L193 HydrophobicContact CG2-CB 4.15Å; V155-L193 VanDerWaalsContact CG2-O 3.31Å; V155-L193 WeakPolarHBondContact CG2-O 3.45Å; V155-L194 HydrophobicContact CB-CD2 4.35Å; V155-L194 HydrophobicContact CG1-CD2 4.09Å; V155-L194 HydrophobicContact CG1-CG 4.04Å; V155-L194 HydrophobicContact CG2-CD2 4.3Å; V155-M228 CarbonylContact O-C 3.6Å; V155-M228 WeakPolarHBondContact O-CA 3.47Å; V155-F229 HydrophobicContact CB-CB 4.24Å; V155-F229 PolarHBondContact N-O 3.2Å; V155-F229 PolarHBondContact O-N 3.38Å; V155-V231 HydrophobicContact CG2-CG2 3.83Å
156	C	87.4	Confident	76.7	Confident	60 Å²	60	83.5 Å²	83.5	41%	0.405	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	119.3	179.5	-62	0	0	0	0	110.2	T226 I227	C156-T226 HydrophobicContact CB-CG2 4.04Å; C156-I227 CarbonylContact C-O 3.52Å; C156-I227 WeakPolarHBondContact CA-O 3.09Å
157	L	85.7	Confident	78.4	Confident	7 Å²	7	81 Å²	81	4%	0.037	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	130.8	174.8	-64.8	-177.6	0	0	0	110.5	V155 K159 L164 A188 S191 L194 I227 F229	V155-L157 HydrophobicContact CG1-CD2 4.45Å; V155-L157 HydrophobicContact CG1-CG 4.28Å; L157-K159 PolarHBondContact O-N 3.45Å; L157-L164 HydrophobicContact CB-CD2 4.33Å; L157-L164 HydrophobicContact CD1-CD2 4.41Å; L157-A188 HydrophobicContact CD1-CB 4.41Å; L157-S191 WeakPolarHBondContact CD2-OG 3.44Å; L157-L194 HydrophobicContact CD1-CD1 3.63Å; L157-L194 HydrophobicContact CD1-CG 4.45Å; L157-I227 PolarHBondContact N-O 3.5Å; L157-I227 PolarHBondContact O-N 3.18Å; L157-F229 HydrophobicContact CB-CE2 4.26Å; L157-F229 HydrophobicContact CD1-CD2 4.38Å; L157-F229 HydrophobicContact CD1-CE2 3.85Å; L157-F229 HydrophobicContact CG-CD2 4.43Å; L157-F229 HydrophobicContact CG-CE2 4.17Å
158	V	84.6	Confident	80.3	Confident	101 Å²	101	72.7 Å²	72.7	61%	0.612	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.4	108	174.2	-176.8	0	0	0	0	108.6	N160	V158-N160 PolarHBondContact O-N 3.13Å
159	K	80	Confident	82.1	Confident	52 Å²	52	73.1 Å²	73.1	23%	0.226	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	121.2	177.6	-174.1	167.5	174.9	177.7	0	110.2	L157 L164 L220 G225 I227	L157-K159 PolarHBondContact O-N 3.45Å; K159-L164 HydrophobicContact CB-CD2 4.22Å; K159-L164 HydrophobicContact CG-CD2 4.29Å; K159-L220 PolarHBondContact NZ-O 3.29Å; K159-G225 WeakPolarHBondContact CB-O 3.49Å; K159-G225 PolarHBondContact N-O 2.91Å; K159-I227 HydrophobicContact CB-CD1 3.81Å; K159-I227 HydrophobicContact CB-CG1 4.1Å; K159-I227 HydrophobicContact CD-CD1 3.41Å; K159-I227 VanDerWaalsContact CD-CD1 3.41Å; K159-I227 HydrophobicContact CD-CG1 4.45Å; K159-I227 HydrophobicContact CG-CD1 4.2Å
160	N	78.3	Confident	83.7	Confident	73 Å²	73	72.6 Å²	72.6	39%	0.39	38%	0.382	S	S	.	.			trans	-99.9	-162.7	169.8	66.9	5.7	0	0	0	109.8	V158 Q162 L187	V158-N160 PolarHBondContact O-N 3.13Å; N160-Q162 PolarHBondContact O-N 3.07Å; N160-Q162 WeakPolarHBondContact OD1-CA 3.49Å; N160-Q162 WeakPolarHBondContact OD1-CB 3.22Å; N160-Q162 PolarHBondContact OD1-N 3.33Å; N160-Q162 PolarHBondContact OD1-O 3.15Å; N160-L187 WeakPolarHBondContact OD1-CD1 3.44Å
161	Q	72.3	Confident	84.7	Confident	208 Å²	208	70.3 Å²	70.3	97%	0.972	37%	0.371	S	S	*	.	S	Bend	trans	-72.7	-4	175.8	-65	-173	6.4	0	0	113.8
162	Q	75.3	Confident	85	Confident	100 Å²	100	75.5 Å²	75.5	47%	0.467	38%	0.38	S	S	.	.	S	Bend	trans	-94.8	155.6	177.2	-59.3	178.4	-24.9	0	0	110.5	N160	N160-Q162 PolarHBondContact O-N 3.07Å; N160-Q162 WeakPolarHBondContact OD1-CA 3.49Å; N160-Q162 WeakPolarHBondContact OD1-CB 3.22Å; N160-Q162 PolarHBondContact OD1-N 3.33Å; N160-Q162 PolarHBondContact OD1-O 3.15Å
163	P	82.3	Confident	84.9	Confident	94 Å²	94	79.4 Å²	79.4	61%	0.61	40%	0.401	S	S	*	.			trans	-60.3	155	169	26.8	-35	0	0	0	110.8	G165	P163-G165 PolarHBondContact O-N 3.44Å
164	L	86.9	Confident	84.7	Confident	22 Å²	22	79.6 Å²	79.6	12%	0.115	41%	0.411	C	S	.	.			trans	-63.8	-24.2	179	-64.7	176.3	0	0	0	112.1	L157 K159 L187 A188 L220 I227 F229	L157-L164 HydrophobicContact CB-CD2 4.33Å; L157-L164 HydrophobicContact CD1-CD2 4.41Å; K159-L164 HydrophobicContact CB-CD2 4.22Å; K159-L164 HydrophobicContact CG-CD2 4.29Å; L164-L187 HydrophobicContact CD2-CD1 4.14Å; L164-L187 CarbonylContact O-C 3.55Å; L164-L187 WeakPolarHBondContact O-CA 3.43Å; L164-L187 WeakPolarHBondContact O-CB 3.31Å; L164-L187 PolarHBondContact O-N 2.71Å; L164-A188 WeakPolarHBondContact O-CB 3.35Å; L164-A188 PolarHBondContact O-N 2.8Å; L164-L220 HydrophobicContact CD1-CD2 4.29Å; L164-I227 HydrophobicContact CD1-CD1 4.25Å; L164-F229 HydrophobicContact CD1-CE2 4.22Å; L164-F229 HydrophobicContact CD1-CZ 3.72Å
165	G	88.7	Confident	84.5	Confident	8 Å²	8	74.6 Å²	74.6	8%	0.082	39%	0.388	C	S	.	.	S	Bend	trans	77.1	40.8	-178.7	0	0	0	0	0	112.6	P163 I183	P163-G165 PolarHBondContact O-N 3.44Å; G165-I183 WeakPolarHBondContact O-CB 3.42Å; G165-I183 PolarHBondContact O-N 3.48Å
166	A	91.3	Very high	84.5	Confident	37 Å²	37	76 Å²	76	31%	0.306	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	145	168.4	0	0	0	0	0	108.7	V179 R181 A188	A166-V179 HydrophobicContact CB-CG1 4.42Å; A166-R181 CarbonylContact C-O 3.54Å; A166-R181 VanDerWaalsContact CA-O 3.25Å; A166-R181 WeakPolarHBondContact CA-O 3.48Å; A166-A188 HydrophobicContact CB-CB 3.98Å
167	T	91.4	Very high	84.7	Confident	26 Å²	26	73.3 Å²	73.3	16%	0.16	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	149	173.2	62.8	0	0	0	0	109.5	V179 A180 R181 C263 A266	T167-V179 CarbonylContact O-C 3.5Å; T167-A180 PolarHBondContact O-N 2.78Å; T167-R181 PolarHBondContact N-O 3.34Å; T167-R181 PolarHBondContact O-N 3.38Å; T167-R181 WeakPolarHBondContact OG1-CB 3.47Å; T167-R181 PolarHBondContact OG1-N 3.1Å; T167-C263 HydrophobicContact CG2-CB 4.15Å; T167-A266 HydrophobicContact CG2-CB 4.44Å
168	I	92.3	Very high	85	Confident	37 Å²	37	74.4 Å²	74.4	19%	0.19	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	151.4	179.8	58.9	171.5	0	0	0	109.7	I177 L178 L200 P213 V216 I217	I168-I177 HydrophobicContact CB-CG2 4.11Å; I168-I177 HydrophobicContact CD1-CG2 4.1Å; I168-I177 HydrophobicContact CG2-CG2 4.44Å; I168-L178 CarbonylContact C-O 3.49Å; I168-L178 VanDerWaalsContact CA-O 3.26Å; I168-L178 WeakPolarHBondContact CA-O 3.32Å; I168-L200 HydrophobicContact CG2-CD1 3.55Å; I168-P213 HydrophobicContact CD1-CB 4.23Å; I168-P213 HydrophobicContact CG1-CB 4.3Å; I168-V216 HydrophobicContact CD1-CB 3.83Å; I168-V216 HydrophobicContact CD1-CG1 3.8Å; I168-I217 HydrophobicContact CD1-CG1 4.24Å
169	K	90	Very high	85.4	Confident	115 Å²	115	69.8 Å²	69.8	50%	0.5	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	152.9	172.9	68.4	179.9	-178.4	171.9	0	110.1	L178 A180	K169-L178 HydrophobicContact CG-CB 4.41Å; K169-L178 PolarHBondContact N-O 3.15Å; K169-L178 PolarHBondContact O-N 2.87Å; K169-A180 HydrophobicContact CB-CB 3.95Å; K169-A180 HydrophobicContact CD-CB 3.89Å; K169-A180 HydrophobicContact CG-CB 3.78Å
170	R	89.8	Confident	85.8	Confident	114 Å²	114	69 Å²	69	43%	0.43	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	132.6	170.7	-169.3	170.7	177.8	-149.3	-11.2	109.5	D176 I177 D212 P213	R170-D176 CarbonylContact C-O 3.58Å; R170-D176 WeakPolarHBondContact CA-O 3.49Å; R170-I177 HydrophobicContact CB-CD1 4.09Å; R170-I177 HydrophobicContact CG-CD1 4.22Å; R170-D212 IonicContact CZ-OD1 3.59Å; R170-D212 IonicContact NH1-OD1 2.77Å; R170-D212 PolarHBondContact NH1-OD1 2.84Å; R170-P213 HydrophobicContact CB-CG 4Å
171	H	85	Confident	86.4	Confident	69 Å²	69	67.3 Å²	67.3	32%	0.319	35%	0.347	S	S	.	.			trans	-74.8	128.4	175.8	-171	-105	0	0	0	109.9	I173 T174 G175 D176 L178	H171-I173 VanDerWaalsContact C-N 3.32Å; H171-I173 PolarHBondContact O-N 3.3Å; H171-T174 PolarHBondContact ND1-N 3.46Å; H171-T174 PolarHBondContact ND1-OG1 3.28Å; H171-G175 VanDerWaalsContact O-CA 3.26Å; H171-G175 WeakPolarHBondContact O-CA 3.44Å; H171-G175 PolarHBondContact O-N 2.86Å; H171-D176 HydrophobicContact CB-CB 4.36Å; H171-D176 PolarHBondContact N-O 3.1Å; H171-L178 HydrophobicContact CB-CD1 3.96Å; H171-L178 HydrophobicContact CB-CG 4.38Å
172	E	80.2	Confident	87.3	Confident	195 Å²	195	58.4 Å²	58.4	91%	0.911	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-33.7	-168.7	-65.4	175.2	-175.2	0	0	113.6
173	I	79.1	Confident	88	Confident	153 Å²	153	54.1 Å²	54.1	79%	0.785	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	-47.3	-173.9	-56.2	173.4	0	0	0	111.5	H171	H171-I173 VanDerWaalsContact C-N 3.32Å; H171-I173 PolarHBondContact O-N 3.3Å
174	T	82.4	Confident	88.3	Confident	81 Å²	81	51.2 Å²	51.2	50%	0.497	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-18.8	-173.3	62.6	0	0	0	0	112.6	H171 D176	H171-T174 PolarHBondContact ND1-N 3.46Å; H171-T174 PolarHBondContact ND1-OG1 3.28Å; T174-D176 WeakPolarHBondContact CB-OD2 3.42Å; T174-D176 PolarHBondContact O-N 2.97Å; T174-D176 VanDerWaalsContact OG1-CG 3.3Å; T174-D176 PolarHBondContact OG1-N 3.23Å; T174-D176 PolarHBondContact OG1-OD2 3.26Å
175	G	83	Confident	88.3	Confident	13 Å²	13	51.6 Å²	51.6	13%	0.134	27%	0.274	C	S	.	.			trans	74.5	3.5	-174.5	0	0	0	0	0	114.4	H171	H171-G175 VanDerWaalsContact O-CA 3.26Å; H171-G175 WeakPolarHBondContact O-CA 3.44Å; H171-G175 PolarHBondContact O-N 2.86Å
176	D	88.3	Confident	88.2	Confident	32 Å²	32	51.3 Å²	51.3	17%	0.171	27%	0.272	C	S	.	.			trans	-67.3	148.1	-179.8	-68.2	-45.2	0	0	0	112.4	R170 H171 T174 L178 K199	R170-D176 CarbonylContact C-O 3.58Å; R170-D176 WeakPolarHBondContact CA-O 3.49Å; H171-D176 HydrophobicContact CB-CB 4.36Å; H171-D176 PolarHBondContact N-O 3.1Å; T174-D176 WeakPolarHBondContact CB-OD2 3.42Å; T174-D176 PolarHBondContact O-N 2.97Å; T174-D176 VanDerWaalsContact OG1-CG 3.3Å; T174-D176 PolarHBondContact OG1-N 3.23Å; T174-D176 PolarHBondContact OG1-OD2 3.26Å; D176-L178 HydrophobicContact CB-CD2 4.45Å; D176-K199 HydrophobicContact CB-CD 4.28Å; D176-K199 HydrophobicContact CB-CG 4.47Å; D176-K199 WeakPolarHBondContact OD1-CE 3.21Å; D176-K199 IonicContact OD1-NZ 2.85Å; D176-K199 PolarHBondContact OD1-NZ 2.8Å; D176-K199 IonicContact OD2-NZ 3.78Å; D176-K199 PolarHBondContact OD2-NZ 2.78Å
177	I	92.5	Very high	88	Confident	3 Å²	3	51 Å²	51	2%	0.015	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	119.7	172.8	-59.9	-61.3	0	0	0	109.6	I168 R170 L200 V208 L211 P213 V216	I168-I177 HydrophobicContact CB-CG2 4.11Å; I168-I177 HydrophobicContact CD1-CG2 4.1Å; I168-I177 HydrophobicContact CG2-CG2 4.44Å; R170-I177 HydrophobicContact CB-CD1 4.09Å; R170-I177 HydrophobicContact CG-CD1 4.22Å; I177-L200 HydrophobicContact CB-CB 4.41Å; I177-L200 HydrophobicContact CG2-CB 4.18Å; I177-L200 HydrophobicContact CG2-CD1 3.91Å; I177-L200 PolarHBondContact O-N 3.39Å; I177-V208 HydrophobicContact CB-CG2 4.22Å; I177-V208 HydrophobicContact CG1-CG2 4.41Å; I177-L211 WeakPolarHBondContact CD1-O 3.49Å; I177-P213 HydrophobicContact CD1-CG 4.21Å; I177-V216 HydrophobicContact CG1-CG2 4.32Å
178	L	92.1	Very high	87.9	Confident	29 Å²	29	49.7 Å²	49.7	15%	0.152	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	146.4	-178.7	-56.9	177.9	0	0	0	110.6	I168 K169 H171 D176 A180 D198 K199	I168-L178 CarbonylContact C-O 3.49Å; I168-L178 VanDerWaalsContact CA-O 3.26Å; I168-L178 WeakPolarHBondContact CA-O 3.32Å; K169-L178 HydrophobicContact CG-CB 4.41Å; K169-L178 PolarHBondContact N-O 3.15Å; K169-L178 PolarHBondContact O-N 2.87Å; H171-L178 HydrophobicContact CB-CD1 3.96Å; H171-L178 HydrophobicContact CB-CG 4.38Å; D176-L178 HydrophobicContact CB-CD2 4.45Å; L178-A180 PolarHBondContact O-N 2.99Å; L178-A180 VanDerWaalsContact O-N 3.15Å; L178-D198 WeakPolarHBondContact CA-O 3.13Å; L178-K199 HydrophobicContact CD2-CB 3.63Å; L178-K199 HydrophobicContact CD2-CG 4.08Å
179	V	91.9	Very high	87.7	Confident	4 Å²	4	51.2 Å²	51.2	2%	0.024	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	110.1	166.7	-179.5	0	0	0	0	108.2	A166 T167 V182 Y195 G197 D198 L200	A166-V179 HydrophobicContact CB-CG1 4.42Å; T167-V179 CarbonylContact O-C 3.5Å; V179-V182 HydrophobicContact CG1-CG2 4.09Å; V179-Y195 WeakPolarHBondContact CB-O 3.49Å; V179-Y195 WeakPolarHBondContact CG1-O 3.23Å; V179-G197 PolarHBondContact O-N 3.1Å; V179-D198 HydrophobicContact CB-CB 4.44Å; V179-D198 HydrophobicContact CG2-CB 4.08Å; V179-D198 PolarHBondContact N-O 2.89Å; V179-L200 HydrophobicContact CG2-CD1 3.96Å; V179-L200 HydrophobicContact CG2-CG 4.28Å
180	A	88.8	Confident	87.5	Confident	37 Å²	37	52.3 Å²	52.3	31%	0.306	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	-40.6	-179.5	0	0	0	0	0	111.7	T167 K169 L178	T167-A180 PolarHBondContact O-N 2.78Å; K169-A180 HydrophobicContact CB-CB 3.95Å; K169-A180 HydrophobicContact CD-CB 3.89Å; K169-A180 HydrophobicContact CG-CB 3.78Å; L178-A180 PolarHBondContact O-N 2.99Å; L178-A180 VanDerWaalsContact O-N 3.15Å
181	R	89.9	Confident	87.3	Confident	36 Å²	36	48.9 Å²	48.9	14%	0.136	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	150.2	-178	-160.4	178.7	-59.4	-145.6	-1.3	111.4	A166 T167 D283 W286	A166-R181 CarbonylContact C-O 3.54Å; A166-R181 VanDerWaalsContact CA-O 3.25Å; A166-R181 WeakPolarHBondContact CA-O 3.48Å; T167-R181 PolarHBondContact N-O 3.34Å; T167-R181 PolarHBondContact O-N 3.38Å; T167-R181 WeakPolarHBondContact OG1-CB 3.47Å; T167-R181 PolarHBondContact OG1-N 3.1Å; R181-D283 IonicContact CZ-OD2 3.58Å; R181-D283 IonicContact NH1-OD2 2.86Å; R181-D283 IonicContact NH2-OD2 2.61Å; R181-D283 PolarHBondContact NH2-OD2 3.34Å; R181-W286 PolarHBondContact NH1-O 2.98Å
182	V	91	Very high	87.4	Confident	22 Å²	22	47.2 Å²	47.2	13%	0.133	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	128.4	167.3	-179	0	0	0	0	108.4	V179 A188 E189 Q288	V179-V182 HydrophobicContact CG1-CG2 4.09Å; V182-A188 HydrophobicContact CG1-CB 4.14Å; V182-E189 HydrophobicContact CG1-CB 3.76Å; V182-E189 HydrophobicContact CG1-CG 4.49Å; V182-Q288 PolarHBondContact O-NE2 3.16Å
183	I	90.9	Very high	87.6	Confident	9 Å²	9	41.2 Å²	41.2	5%	0.046	23%	0.232	C	C	.	.			trans	-88.4	127.5	-176	-56.2	-61.5	0	0	0	109.9	G165 G186 C298 A299 L301	G165-I183 WeakPolarHBondContact O-CB 3.42Å; G165-I183 PolarHBondContact O-N 3.48Å; I183-G186 WeakPolarHBondContact O-CA 3.41Å; I183-G186 PolarHBondContact O-N 2.94Å; I183-C298 HydrophobicContact CG2-CB 4.28Å; I183-A299 HydrophobicContact CG2-CB 4.38Å; I183-A299 WeakPolarHBondContact CG2-O 3.5Å; I183-L301 HydrophobicContact CD1-CD2 4.49Å
184	H	88.4	Confident	88.1	Confident	34 Å²	34	34.4 Å²	34.4	16%	0.157	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	134.8	179.6	-81.5	76	0	0	0	111.2	G186 E189 N240 V279 D280 Q288 C298 A299	H184-G186 PolarHBondContact O-N 3.31Å; H184-E189 WeakPolarHBondContact CA-OE1 3.44Å; H184-E189 WeakPolarHBondContact CA-OE2 3.47Å; H184-E189 IonicContact CD2-OE1 3.94Å; H184-E189 PolarHBondContact CD2-OE1 2.86Å; H184-E189 IonicContact CE1-OE1 3.77Å; H184-E189 IonicContact CG-OE1 3.2Å; H184-E189 IonicContact ND1-OE1 3.33Å; H184-E189 IonicContact NE2-OE1 3.42Å; H184-E189 PolarHBondContact NE2-OE1 3.24Å; H184-N240 PolarHBondContact CE1-ND2 3.2Å; H184-N240 PolarHBondContact NE2-ND2 2.99Å; H184-V279 HydrophobicContact CB-CB 4.35Å; H184-V279 HydrophobicContact CB-CG2 3.59Å; H184-D280 VanDerWaalsContact CE1-CB 3.47Å; H184-D280 WeakPolarHBondContact CE1-CB 3.39Å; H184-D280 IonicContact CE1-OD2 2.78Å; H184-D280 PolarHBondContact CE1-OD2 2.86Å; H184-D280 IonicContact ND1-OD2 3.46Å; H184-Q288 PolarHBondContact ND1-OE1 2.9Å; H184-Q288 VanDerWaalsContact ND1-OE1 3.14Å; H184-C298 WeakPolarHBondContact O-CA 3.48Å; H184-A299 HydrophobicContact CB-CB 3.87Å; H184-A299 WeakPolarHBondContact O-CB 3.34Å; H184-A299 PolarHBondContact O-N 2.77Å
185	G	86.3	Confident	88.4	Confident	29 Å²	29	34.5 Å²	34.5	30%	0.299	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	71	8.3	-173.4	0	0	0	0	0	114.2	E189 R190	G185-E189 PolarHBondContact N-OE2 3.3Å; G185-R190 VanDerWaalsContact O-CZ 3.3Å; G185-R190 PolarHBondContact O-NH1 3.26Å
186	G	87.9	Confident	88.6	Confident	3 Å²	3	35.5 Å²	35.5	3%	0.031	20%	0.197	C	C	.	.	S	Bend	trans	-77.7	170.7	172.4	0	0	0	0	0	113.4	I183 H184 R190	I183-G186 WeakPolarHBondContact O-CA 3.41Å; I183-G186 PolarHBondContact O-N 2.94Å; H184-G186 PolarHBondContact O-N 3.31Å; G186-R190 WeakPolarHBondContact O-CB 3.47Å; G186-R190 WeakPolarHBondContact O-CG 3.13Å; G186-R190 PolarHBondContact O-N 2.81Å; G186-R190 PolarHBondContact O-NE 3.42Å
187	L	86.9	Confident	88.6	Confident	29 Å²	29	35.7 Å²	35.7	15%	0.152	21%	0.206	C	C	.	.	H	α-helix	trans	-66	-39.1	174	-71.7	170.8	0	0	0	112.2	N160 L164 R190 S191	N160-L187 WeakPolarHBondContact OD1-CD1 3.44Å; L164-L187 HydrophobicContact CD2-CD1 4.14Å; L164-L187 CarbonylContact O-C 3.55Å; L164-L187 WeakPolarHBondContact O-CA 3.43Å; L164-L187 WeakPolarHBondContact O-CB 3.31Å; L164-L187 PolarHBondContact O-N 2.71Å; L187-R190 PolarHBondContact O-N 3.22Å; L187-S191 PolarHBondContact O-N 3.33Å; L187-S191 VanDerWaalsContact O-N 3.07Å
188	A	89.9	Confident	88.5	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-61	-48.7	179	0	0	0	0	0	111	L157 L164 A166 V182 S191 G192 L194	L157-A188 HydrophobicContact CD1-CB 4.41Å; L164-A188 WeakPolarHBondContact O-CB 3.35Å; L164-A188 PolarHBondContact O-N 2.8Å; A166-A188 HydrophobicContact CB-CB 3.98Å; V182-A188 HydrophobicContact CG1-CB 4.14Å; A188-S191 PolarHBondContact O-N 3.14Å; A188-S191 PolarHBondContact O-OG 3.34Å; A188-G192 PolarHBondContact O-N 2.85Å; A188-L194 HydrophobicContact CB-CD1 4.31Å
189	E	87.3	Confident	88.5	Confident	69 Å²	69	37 Å²	37	32%	0.322	21%	0.21	S	C	.	.	H	α-helix	trans	-62.2	-48.9	176.5	-171	-168.2	-124.5	0	0	111.9	V182 H184 G185 S191 G192	V182-E189 HydrophobicContact CG1-CB 3.76Å; V182-E189 HydrophobicContact CG1-CG 4.49Å; H184-E189 WeakPolarHBondContact CA-OE1 3.44Å; H184-E189 WeakPolarHBondContact CA-OE2 3.47Å; H184-E189 IonicContact CD2-OE1 3.94Å; H184-E189 PolarHBondContact CD2-OE1 2.86Å; H184-E189 IonicContact CE1-OE1 3.77Å; H184-E189 IonicContact CG-OE1 3.2Å; H184-E189 IonicContact ND1-OE1 3.33Å; H184-E189 IonicContact NE2-OE1 3.42Å; H184-E189 PolarHBondContact NE2-OE1 3.24Å; G185-E189 PolarHBondContact N-OE2 3.3Å; E189-S191 PolarHBondContact O-N 2.69Å; E189-S191 VanDerWaalsContact O-N 3.13Å; E189-G192 PolarHBondContact O-N 2.99Å
190	R	86	Confident	88.5	Confident	138 Å²	138	37.2 Å²	37.2	52%	0.521	21%	0.211	S	C	.	.	H	α-helix	trans	-60	-27	-179	-75.1	-172.9	-66.3	-110.5	-3.8	113.3	G185 G186 L187	G185-R190 VanDerWaalsContact O-CZ 3.3Å; G185-R190 PolarHBondContact O-NH1 3.26Å; G186-R190 WeakPolarHBondContact O-CB 3.47Å; G186-R190 WeakPolarHBondContact O-CG 3.13Å; G186-R190 PolarHBondContact O-N 2.81Å; G186-R190 PolarHBondContact O-NE 3.42Å; L187-R190 PolarHBondContact O-N 3.22Å
191	S	86.3	Confident	88.6	Confident	41 Å²	41	37 Å²	37	29%	0.287	21%	0.206	S	C	.	.	H	α-helix	trans	-71.3	-32.3	174.5	78.7	0	0	0	0	112.6	L157 L187 A188 E189 L193	L157-S191 WeakPolarHBondContact CD2-OG 3.44Å; L187-S191 PolarHBondContact O-N 3.33Å; L187-S191 VanDerWaalsContact O-N 3.07Å; A188-S191 PolarHBondContact O-N 3.14Å; A188-S191 PolarHBondContact O-OG 3.34Å; E189-S191 PolarHBondContact O-N 2.69Å; E189-S191 VanDerWaalsContact O-N 3.13Å; S191-L193 WeakPolarHBondContact O-CG 3.27Å; S191-L193 PolarHBondContact O-N 2.99Å; S191-L193 PolarHBondContact OG-N 3.34Å; S191-L193 VanDerWaalsContact OG-N 3.1Å
192	G	85.3	Confident	88.7	Confident	34 Å²	34	38 Å²	38	35%	0.351	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.7	15	-170.6	0	0	0	0	0	114.2	A188 E189 Y195	A188-G192 PolarHBondContact O-N 2.85Å; E189-G192 PolarHBondContact O-N 2.99Å; G192-Y195 WeakPolarHBondContact O-CE2 3.43Å; G192-Y195 PolarHBondContact O-OH 2.78Å
193	L	85.6	Confident	88.6	Confident	69 Å²	69	37 Å²	37	36%	0.361	21%	0.206	S	C	.	.			trans	-105.3	-11	-173.5	-58.4	179.2	0	0	0	114.2	R153 V155 S191	R153-L193 VanDerWaalsContact CZ-O 3.24Å; R153-L193 PolarHBondContact NH2-O 2.84Å; V155-L193 HydrophobicContact CB-CB 4.37Å; V155-L193 HydrophobicContact CG1-CB 3.42Å; V155-L193 VanDerWaalsContact CG1-CB 3.42Å; V155-L193 HydrophobicContact CG1-CD1 4.02Å; V155-L193 HydrophobicContact CG1-CG 4.37Å; V155-L193 HydrophobicContact CG2-CB 4.15Å; V155-L193 VanDerWaalsContact CG2-O 3.31Å; V155-L193 WeakPolarHBondContact CG2-O 3.45Å; S191-L193 WeakPolarHBondContact O-CG 3.27Å; S191-L193 PolarHBondContact O-N 2.99Å; S191-L193 PolarHBondContact OG-N 3.34Å; S191-L193 VanDerWaalsContact OG-N 3.1Å
194	L	89.6	Confident	88.5	Confident	11 Å²	11	39.6 Å²	39.6	6%	0.058	22%	0.22	C	C	.	.			trans	-123.5	137.6	176.2	-71.6	179.6	0	0	0	110.1	V155 L157 A188 V231	V155-L194 HydrophobicContact CB-CD2 4.35Å; V155-L194 HydrophobicContact CG1-CD2 4.09Å; V155-L194 HydrophobicContact CG1-CG 4.04Å; V155-L194 HydrophobicContact CG2-CD2 4.3Å; L157-L194 HydrophobicContact CD1-CD1 3.63Å; L157-L194 HydrophobicContact CD1-CG 4.45Å; A188-L194 HydrophobicContact CB-CD1 4.31Å; L194-V231 HydrophobicContact CD2-CG1 4.06Å
195	Y	88.6	Confident	88.2	Confident	83 Å²	83	40.9 Å²	40.9	33%	0.325	24%	0.243	S	C	.	.			trans	-125.4	153.3	178.8	-61.5	-90.7	0	0	0	110.7	V179 G192 G197 D198 P237	V179-Y195 WeakPolarHBondContact CB-O 3.49Å; V179-Y195 WeakPolarHBondContact CG1-O 3.23Å; G192-Y195 WeakPolarHBondContact O-CE2 3.43Å; G192-Y195 PolarHBondContact O-OH 2.78Å; Y195-G197 PolarHBondContact O-N 2.63Å; Y195-D198 PolarHBondContact N-OD2 2.84Å; Y195-D198 WeakPolarHBondContact O-CB 3.39Å; Y195-D198 PolarHBondContact O-N 2.78Å; Y195-P237 HydrophobicContact CD1-CB 3.55Å; Y195-P237 HydrophobicContact CE1-CB 3.99Å; Y195-P237 HydrophobicContact CG-CB 3.89Å
196	A	87.9	Confident	88.3	Confident	34 Å²	34	42.9 Å²	42.9	28%	0.281	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	130.3	169.5	0	0	0	0	0	109.1
197	G	87.7	Confident	88.3	Confident	35 Å²	35	45.4 Å²	45.4	36%	0.361	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	99.8	-14.3	-173	0	0	0	0	0	114.9	V179 Y195 K199	V179-G197 PolarHBondContact O-N 3.1Å; Y195-G197 PolarHBondContact O-N 2.63Å; G197-K199 PolarHBondContact O-N 2.86Å
198	D	90.1	Very high	88.5	Confident	0 Å²	0	44 Å²	44	0%	0	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-60.4	131.3	175.5	-75.1	-10.3	0	0	0	110.3	R153 L178 V179 Y195 P233 V234	R153-D198 IonicContact NH2-OD1 3.76Å; R153-D198 IonicContact NH2-OD2 3.71Å; R153-D198 PolarHBondContact NH2-OD2 3.05Å; L178-D198 WeakPolarHBondContact CA-O 3.13Å; V179-D198 HydrophobicContact CB-CB 4.44Å; V179-D198 HydrophobicContact CG2-CB 4.08Å; V179-D198 PolarHBondContact N-O 2.89Å; Y195-D198 PolarHBondContact N-OD2 2.84Å; Y195-D198 WeakPolarHBondContact O-CB 3.39Å; Y195-D198 PolarHBondContact O-N 2.78Å; D198-P233 WeakPolarHBondContact OD1-CA 3.49Å; D198-V234 PolarHBondContact OD1-N 3.01Å
199	K	91.5	Very high	88.3	Confident	59 Å²	59	51.5 Å²	51.5	26%	0.257	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	122.6	176	172	176.3	172.6	165.4	0	109.9	D176 L178 G197 V201 V231 V232	D176-K199 HydrophobicContact CB-CD 4.28Å; D176-K199 HydrophobicContact CB-CG 4.47Å; D176-K199 WeakPolarHBondContact OD1-CE 3.21Å; D176-K199 IonicContact OD1-NZ 2.85Å; D176-K199 PolarHBondContact OD1-NZ 2.8Å; D176-K199 IonicContact OD2-NZ 3.78Å; D176-K199 PolarHBondContact OD2-NZ 2.78Å; L178-K199 HydrophobicContact CD2-CB 3.63Å; L178-K199 HydrophobicContact CD2-CG 4.08Å; G197-K199 PolarHBondContact O-N 2.86Å; K199-V201 HydrophobicContact CG-CG2 4.49Å; K199-V231 CarbonylContact O-C 3.6Å; K199-V231 WeakPolarHBondContact O-CA 3.41Å; K199-V231 WeakPolarHBondContact O-CB 3.41Å; K199-V232 HydrophobicContact CB-CB 4.18Å; K199-V232 PolarHBondContact N-O 3.32Å; K199-V232 PolarHBondContact O-N 2.86Å
200	L	91.8	Very high	88.1	Confident	9 Å²	9	50.8 Å²	50.8	5%	0.047	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	123.3	176.7	-74.4	154.8	0	0	0	109.3	I168 I177 V179 V208 F229 V231	I168-L200 HydrophobicContact CG2-CD1 3.55Å; I177-L200 HydrophobicContact CB-CB 4.41Å; I177-L200 HydrophobicContact CG2-CB 4.18Å; I177-L200 HydrophobicContact CG2-CD1 3.91Å; I177-L200 PolarHBondContact O-N 3.39Å; V179-L200 HydrophobicContact CG2-CD1 3.96Å; V179-L200 HydrophobicContact CG2-CG 4.28Å; L200-V208 HydrophobicContact CB-CG2 4.02Å; L200-V208 WeakPolarHBondContact O-CG2 3.39Å; L200-F229 HydrophobicContact CD2-CB 4.27Å; L200-F229 HydrophobicContact CD2-CD1 3.37Å; L200-F229 HydrophobicContact CD2-CE1 4.01Å; L200-F229 HydrophobicContact CD2-CG 4.17Å; L200-V231 HydrophobicContact CD2-CG1 3.81Å; L200-V231 HydrophobicContact CG-CG1 4.41Å
201	V	91.8	Very high	88.2	Confident	33 Å²	33	46 Å²	46	20%	0.2	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	-45.7	-179.8	-174.4	0	0	0	0	110.8	K199 V208 K230 V232	K199-V201 HydrophobicContact CG-CG2 4.49Å; V201-V208 PolarHBondContact O-N 2.78Å; V201-K230 WeakPolarHBondContact CB-O 3.37Å; V201-K230 PolarHBondContact N-O 3.23Å; V201-V232 HydrophobicContact CG2-CG2 3.95Å
202	E	91.5	Very high	88.3	Confident	57 Å²	57	46.8 Å²	46.8	27%	0.266	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	147.8	178	-62.1	166.6	-153	0	0	111.6	V206 F229 K230	E202-V206 CarbonylContact C-O 3.46Å; E202-V206 VanDerWaalsContact CA-O 3.26Å; E202-V206 WeakPolarHBondContact CA-O 3.44Å; E202-F229 WeakPolarHBondContact O-CA 3.33Å; E202-K230 HydrophobicContact CB-CB 3.8Å; E202-K230 HydrophobicContact CB-CD 4.34Å; E202-K230 HydrophobicContact CG-CB 4.36Å; E202-K230 HydrophobicContact CG-CD 4.05Å; E202-K230 PolarHBondContact N-O 3.32Å; E202-K230 PolarHBondContact O-N 2.89Å; E202-K230 VanDerWaalsContact OE1-CD 3.28Å; E202-K230 WeakPolarHBondContact OE1-CD 3.41Å; E202-K230 IonicContact OE1-NZ 3.81Å; E202-K230 PolarHBondContact OE1-NZ 3.15Å
203	V	90.4	Very high	88.5	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.006	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	117.8	171.4	178.6	0	0	0	0	108.4	G205 V206 V208 V216 I219 L220 I227 M228 F229	V203-G205 PolarHBondContact O-N 3.49Å; V203-G205 VanDerWaalsContact O-N 3.16Å; V203-V206 PolarHBondContact N-O 2.89Å; V203-V206 WeakPolarHBondContact O-CB 3.37Å; V203-V206 PolarHBondContact O-N 3.38Å; V203-V208 HydrophobicContact CB-CG1 4.19Å; V203-V208 HydrophobicContact CG2-CG1 3.66Å; V203-V216 HydrophobicContact CG2-CG1 4.44Å; V203-I219 HydrophobicContact CG1-CG2 4.2Å; V203-L220 HydrophobicContact CG1-CD2 3.56Å; V203-L220 HydrophobicContact CG1-CG 4.28Å; V203-I227 HydrophobicContact CG1-CG2 4.05Å; V203-M228 WeakPolarHBondContact CA-O 3.24Å; V203-F229 HydrophobicContact CG1-CE1 4.31Å; V203-F229 HydrophobicContact CG2-CD1 3.82Å; V203-F229 HydrophobicContact CG2-CE1 3.9Å
204	N	87.3	Confident	88.6	Confident	64 Å²	64	49.3 Å²	49.3	34%	0.342	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.9	34.6	-177.7	-70.2	-21.8	0	0	0	114	V206 S223 I227 M228	N204-V206 VanDerWaalsContact C-N 3.29Å; N204-V206 PolarHBondContact O-N 2.75Å; N204-S223 WeakPolarHBondContact ND2-CB 3.25Å; N204-S223 PolarHBondContact ND2-OG 2.88Å; N204-I227 WeakPolarHBondContact OD1-CA 3.33Å; N204-M228 PolarHBondContact N-O 2.73Å; N204-M228 PolarHBondContact OD1-N 2.91Å
205	G	83.1	Confident	88.6	Confident	61 Å²	61	53 Å²	53	63%	0.629	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	80	3.6	-178.1	0	0	0	0	0	114.9	V203	V203-G205 PolarHBondContact O-N 3.49Å; V203-G205 VanDerWaalsContact O-N 3.16Å
206	V	87.1	Confident	88.7	Confident	70 Å²	70	49.1 Å²	49.1	42%	0.424	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	123.6	170.7	-176.2	0	0	0	0	108.5	E202 V203 N204 I219	E202-V206 CarbonylContact C-O 3.46Å; E202-V206 VanDerWaalsContact CA-O 3.26Å; E202-V206 WeakPolarHBondContact CA-O 3.44Å; V203-V206 PolarHBondContact N-O 2.89Å; V203-V206 WeakPolarHBondContact O-CB 3.37Å; V203-V206 PolarHBondContact O-N 3.38Å; N204-V206 VanDerWaalsContact C-N 3.29Å; N204-V206 PolarHBondContact O-N 2.75Å; V206-I219 HydrophobicContact CG1-CD1 4.17Å
207	S	89.4	Confident	88.7	Confident	57 Å²	57	52 Å²	52	40%	0.399	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	135.6	173.2	-178.7	0	0	0	0	110.3	E209	S207-E209 PolarHBondContact OG-N 2.82Å
208	V	89.6	Confident	88.6	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	31%	0.314	C	S	.	.			trans	-99	2.6	175.6	-54.6	0	0	0	0	113.2	I177 L200 V201 V203 G210 L211 V216	I177-V208 HydrophobicContact CB-CG2 4.22Å; I177-V208 HydrophobicContact CG1-CG2 4.41Å; L200-V208 HydrophobicContact CB-CG2 4.02Å; L200-V208 WeakPolarHBondContact O-CG2 3.39Å; V201-V208 PolarHBondContact O-N 2.78Å; V203-V208 HydrophobicContact CB-CG1 4.19Å; V203-V208 HydrophobicContact CG2-CG1 3.66Å; V208-G210 PolarHBondContact O-N 3.36Å; V208-L211 HydrophobicContact CB-CD1 4.44Å; V208-L211 PolarHBondContact O-N 3.36Å; V208-V216 HydrophobicContact CB-CG2 4.04Å; V208-V216 HydrophobicContact CG1-CG1 4.22Å; V208-V216 HydrophobicContact CG1-CG2 4.11Å
209	E	86.2	Confident	88.5	Confident	157 Å²	157	57.9 Å²	57.9	73%	0.734	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	127.8	178.4	-169.5	178.1	-172.7	0	0	111	S207 L211	S207-E209 PolarHBondContact OG-N 2.82Å; E209-L211 PolarHBondContact O-N 3.03Å
210	G	83.1	Confident	88.3	Confident	53 Å²	53	56.3 Å²	56.3	55%	0.546	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.8	0.4	-179.7	0	0	0	0	0	115.5	V208	V208-G210 PolarHBondContact O-N 3.36Å
211	L	88.1	Confident	87.9	Confident	39 Å²	39	59 Å²	59	20%	0.204	34%	0.341	C	S	.	.			trans	-80.8	152.1	173	-57.2	-173.8	0	0	0	111	I177 V208 E209 Q215 V216 I219	I177-L211 WeakPolarHBondContact CD1-O 3.49Å; V208-L211 HydrophobicContact CB-CD1 4.44Å; V208-L211 PolarHBondContact O-N 3.36Å; E209-L211 PolarHBondContact O-N 3.03Å; L211-Q215 HydrophobicContact CB-CB 4.42Å; L211-V216 HydrophobicContact CB-CG2 4Å; L211-V216 HydrophobicContact CD1-CG2 4.28Å; L211-I219 HydrophobicContact CD1-CD1 3.84Å
212	D	88.3	Confident	87.5	Confident	57 Å²	57	63.9 Å²	63.9	31%	0.305	36%	0.363	S	S	.	.			trans	-83.7	152.9	168.9	-64.4	-54.9	0	0	0	111.1	R170 E214 Q215 V216	R170-D212 IonicContact CZ-OD1 3.59Å; R170-D212 IonicContact NH1-OD1 2.77Å; R170-D212 PolarHBondContact NH1-OD1 2.84Å; D212-E214 WeakPolarHBondContact CB-OE2 3.43Å; D212-E214 PolarHBondContact O-N 3.01Å; D212-E214 VanDerWaalsContact O-N 3.13Å; D212-Q215 HydrophobicContact CB-CG 4.45Å; D212-Q215 WeakPolarHBondContact O-CB 3.39Å; D212-Q215 PolarHBondContact O-N 3.11Å; D212-Q215 PolarHBondContact OD2-NE2 3.17Å; D212-V216 PolarHBondContact O-N 3.42Å
213	P	89.3	Confident	87.1	Confident	22 Å²	22	62.1 Å²	62.1	14%	0.143	36%	0.357	C	S	.	.	H	α-helix	trans	-51.5	-37.8	-178.4	-28.6	36.7	0	0	0	114.1	I168 R170 I177 Q215 V216 I217	I168-P213 HydrophobicContact CD1-CB 4.23Å; I168-P213 HydrophobicContact CG1-CB 4.3Å; R170-P213 HydrophobicContact CB-CG 4Å; I177-P213 HydrophobicContact CD1-CG 4.21Å; P213-Q215 VanDerWaalsContact C-N 3.29Å; P213-Q215 PolarHBondContact O-N 2.93Å; P213-V216 PolarHBondContact O-N 3.22Å; P213-I217 WeakPolarHBondContact O-CD1 3.38Å; P213-I217 VanDerWaalsContact O-CG1 3.23Å; P213-I217 WeakPolarHBondContact O-CG1 3.2Å; P213-I217 PolarHBondContact O-N 2.83Å
214	E	89.4	Confident	86.6	Confident	133 Å²	133	73.5 Å²	73.5	62%	0.621	40%	0.4	S	S	*	.	H	α-helix	trans	-62.9	-36.7	179.4	-61.3	74	-159.4	0	0	111.8	D212 I217 H218	D212-E214 WeakPolarHBondContact CB-OE2 3.43Å; D212-E214 PolarHBondContact O-N 3.01Å; D212-E214 VanDerWaalsContact O-N 3.13Å; E214-I217 PolarHBondContact O-N 3.4Å; E214-H218 PolarHBondContact O-N 3.07Å
215	Q	89.4	Confident	86.5	Confident	89 Å²	89	72.2 Å²	72.2	42%	0.416	40%	0.402	S	S	.	.	H	α-helix	trans	-70.7	-41.3	179.1	-57.9	173	17.5	0	0	110.4	L211 D212 P213 I217 H218 I219	L211-Q215 HydrophobicContact CB-CB 4.42Å; D212-Q215 HydrophobicContact CB-CG 4.45Å; D212-Q215 WeakPolarHBondContact O-CB 3.39Å; D212-Q215 PolarHBondContact O-N 3.11Å; D212-Q215 PolarHBondContact OD2-NE2 3.17Å; P213-Q215 VanDerWaalsContact C-N 3.29Å; P213-Q215 PolarHBondContact O-N 2.93Å; Q215-I217 VanDerWaalsContact C-N 3.35Å; Q215-H218 WeakPolarHBondContact O-CB 3.18Å; Q215-H218 PolarHBondContact O-N 3.3Å; Q215-I219 WeakPolarHBondContact O-CG1 2.99Å; Q215-I219 PolarHBondContact O-N 2.91Å
216	V	89.3	Confident	86.6	Confident	1 Å²	1	73.2 Å²	73.2	1%	0.006	40%	0.396	C	S	.	.	H	α-helix	trans	-63.9	-41.5	174.6	-177.7	0	0	0	0	110.9	I168 I177 V203 V208 L211 D212 P213 H218 I219 L220	I168-V216 HydrophobicContact CD1-CB 3.83Å; I168-V216 HydrophobicContact CD1-CG1 3.8Å; I177-V216 HydrophobicContact CG1-CG2 4.32Å; V203-V216 HydrophobicContact CG2-CG1 4.44Å; V208-V216 HydrophobicContact CB-CG2 4.04Å; V208-V216 HydrophobicContact CG1-CG1 4.22Å; V208-V216 HydrophobicContact CG1-CG2 4.11Å; L211-V216 HydrophobicContact CB-CG2 4Å; L211-V216 HydrophobicContact CD1-CG2 4.28Å; D212-V216 PolarHBondContact O-N 3.42Å; P213-V216 PolarHBondContact O-N 3.22Å; V216-H218 VanDerWaalsContact C-N 3.29Å; V216-H218 PolarHBondContact O-N 2.91Å; V216-I219 PolarHBondContact O-N 2.86Å; V216-L220 HydrophobicContact CG1-CD1 4.28Å; V216-L220 WeakPolarHBondContact O-CG 3.3Å; V216-L220 PolarHBondContact O-N 3.36Å
217	I	88.3	Confident	86.7	Confident	96 Å²	96	69.9 Å²	69.9	49%	0.492	38%	0.376	S	S	.	.	H	α-helix	trans	-60.5	-40.1	174.3	-69.1	163.1	0	0	0	110.6	I168 P213 E214 Q215 L220 A221	I168-I217 HydrophobicContact CD1-CG1 4.24Å; P213-I217 WeakPolarHBondContact O-CD1 3.38Å; P213-I217 VanDerWaalsContact O-CG1 3.23Å; P213-I217 WeakPolarHBondContact O-CG1 3.2Å; P213-I217 PolarHBondContact O-N 2.83Å; E214-I217 PolarHBondContact O-N 3.4Å; Q215-I217 VanDerWaalsContact C-N 3.35Å; I217-L220 PolarHBondContact O-N 2.96Å; I217-A221 VanDerWaalsContact O-CB 3.32Å; I217-A221 WeakPolarHBondContact O-CB 3.23Å; I217-A221 PolarHBondContact O-N 2.66Å
218	H	86.6	Confident	86.7	Confident	120 Å²	120	71.7 Å²	71.7	56%	0.556	38%	0.379	S	S	*	.	H	α-helix	trans	-62.9	-45.2	176.3	-166.9	69.8	0	0	0	112.3	E214 Q215 V216 L220 A221 M222	E214-H218 PolarHBondContact O-N 3.07Å; Q215-H218 WeakPolarHBondContact O-CB 3.18Å; Q215-H218 PolarHBondContact O-N 3.3Å; V216-H218 VanDerWaalsContact C-N 3.29Å; V216-H218 PolarHBondContact O-N 2.91Å; H218-L220 VanDerWaalsContact C-N 3.32Å; H218-L220 PolarHBondContact O-N 2.84Å; H218-A221 WeakPolarHBondContact O-CB 3.33Å; H218-A221 PolarHBondContact O-N 3.25Å; H218-A221 VanDerWaalsContact O-N 3.16Å; H218-M222 PolarHBondContact NE2-SD 3.39Å; H218-M222 VanDerWaalsContact NE2-SD 3.43Å; H218-M222 WeakPolarHBondContact O-CG 3.42Å; H218-M222 PolarHBondContact O-N 2.81Å
219	I	87.3	Confident	86.8	Confident	38 Å²	38	72 Å²	72	20%	0.195	38%	0.381	C	S	.	.	H	α-helix	trans	-58.6	-45.7	175	-65.6	165.8	0	0	0	110.5	V203 V206 L211 Q215 V216 A221 M222 S223	V203-I219 HydrophobicContact CG1-CG2 4.2Å; V206-I219 HydrophobicContact CG1-CD1 4.17Å; L211-I219 HydrophobicContact CD1-CD1 3.84Å; Q215-I219 WeakPolarHBondContact O-CG1 2.99Å; Q215-I219 PolarHBondContact O-N 2.91Å; V216-I219 PolarHBondContact O-N 2.86Å; I219-A221 PolarHBondContact O-N 3.03Å; I219-M222 PolarHBondContact O-N 2.8Å; I219-S223 PolarHBondContact O-N 3.34Å; I219-S223 VanDerWaalsContact O-N 3.17Å; I219-S223 PolarHBondContact O-OG 3.21Å
220	L	86.9	Confident	87	Confident	26 Å²	26	67.6 Å²	67.6	14%	0.136	36%	0.359	C	S	.	.	H	α-helix	trans	-63.3	-41.3	176.7	-71.4	171.4	0	0	0	111.4	K159 L164 V203 V216 I217 H218 S223 I227 F229	K159-L220 PolarHBondContact NZ-O 3.29Å; L164-L220 HydrophobicContact CD1-CD2 4.29Å; V203-L220 HydrophobicContact CG1-CD2 3.56Å; V203-L220 HydrophobicContact CG1-CG 4.28Å; V216-L220 HydrophobicContact CG1-CD1 4.28Å; V216-L220 WeakPolarHBondContact O-CG 3.3Å; V216-L220 PolarHBondContact O-N 3.36Å; I217-L220 PolarHBondContact O-N 2.96Å; H218-L220 VanDerWaalsContact C-N 3.32Å; H218-L220 PolarHBondContact O-N 2.84Å; L220-S223 WeakPolarHBondContact O-CB 3.34Å; L220-S223 PolarHBondContact O-N 3.47Å; L220-I227 HydrophobicContact CD2-CD1 3.97Å; L220-I227 HydrophobicContact CD2-CG2 3.86Å; L220-F229 HydrophobicContact CD2-CE1 3.75Å; L220-F229 HydrophobicContact CD2-CZ 3.66Å
221	A	84.3	Confident	87.4	Confident	65 Å²	65	65 Å²	65	54%	0.537	33%	0.333	S	S	.	.	H	α-helix	trans	-63	-39.9	179.3	0	0	0	0	0	112.7	I217 H218 I219 S223	I217-A221 VanDerWaalsContact O-CB 3.32Å; I217-A221 WeakPolarHBondContact O-CB 3.23Å; I217-A221 PolarHBondContact O-N 2.66Å; H218-A221 WeakPolarHBondContact O-CB 3.33Å; H218-A221 PolarHBondContact O-N 3.25Å; H218-A221 VanDerWaalsContact O-N 3.16Å; I219-A221 PolarHBondContact O-N 3.03Å; A221-S223 VanDerWaalsContact C-N 3.32Å
222	M	83.4	Confident	87.5	Confident	135 Å²	135	64.1 Å²	64.1	67%	0.665	33%	0.328	S	S	*	.	H	α-helix	trans	-73	-24.4	177.1	-66.3	-177.3	76.7	0	0	113.3	H218 I219	H218-M222 PolarHBondContact NE2-SD 3.39Å; H218-M222 VanDerWaalsContact NE2-SD 3.43Å; H218-M222 WeakPolarHBondContact O-CG 3.42Å; H218-M222 PolarHBondContact O-N 2.81Å; I219-M222 PolarHBondContact O-N 2.8Å
223	S	83.4	Confident	87.4	Confident	21 Å²	21	63.7 Å²	63.7	15%	0.147	33%	0.329	C	S	.	.			trans	-71.8	134.7	-179.3	-62.5	0	0	0	0	112	N204 I219 L220 A221	N204-S223 WeakPolarHBondContact ND2-CB 3.25Å; N204-S223 PolarHBondContact ND2-OG 2.88Å; I219-S223 PolarHBondContact O-N 3.34Å; I219-S223 VanDerWaalsContact O-N 3.17Å; I219-S223 PolarHBondContact O-OG 3.21Å; L220-S223 WeakPolarHBondContact O-CB 3.34Å; L220-S223 PolarHBondContact O-N 3.47Å; A221-S223 VanDerWaalsContact C-N 3.32Å
224	R	79.8	Confident	87.2	Confident	239 Å²	239	65 Å²	65	90%	0.902	34%	0.336	S	S	*	.			trans	-123.6	142.9	178.1	-65	-177.7	178	178.2	-0.4	110.5
225	G	84.5	Confident	86.2	Confident	37 Å²	37	64 Å²	64	38%	0.381	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	82.6	-135.3	179.1	0	0	0	0	0	112.6	K159 I227	K159-G225 WeakPolarHBondContact CB-O 3.49Å; K159-G225 PolarHBondContact N-O 2.91Å; G225-I227 PolarHBondContact O-N 2.8Å
226	T	86	Confident	85.1	Confident	82 Å²	82	66.6 Å²	66.6	50%	0.503	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	123.2	-179.6	-52.1	0	0	0	0	110.6	C156	C156-T226 HydrophobicContact CB-CG2 4.04Å
227	I	88.8	Confident	83.8	Confident	0 Å²	0	69.2 Å²	69.2	0%	0	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	127.8	171.7	-58.9	-177.8	0	0	0	108.2	C156 L157 K159 L164 V203 N204 L220 G225 F229	C156-I227 CarbonylContact C-O 3.52Å; C156-I227 WeakPolarHBondContact CA-O 3.09Å; L157-I227 PolarHBondContact N-O 3.5Å; L157-I227 PolarHBondContact O-N 3.18Å; K159-I227 HydrophobicContact CB-CD1 3.81Å; K159-I227 HydrophobicContact CB-CG1 4.1Å; K159-I227 HydrophobicContact CD-CD1 3.41Å; K159-I227 VanDerWaalsContact CD-CD1 3.41Å; K159-I227 HydrophobicContact CD-CG1 4.45Å; K159-I227 HydrophobicContact CG-CD1 4.2Å; L164-I227 HydrophobicContact CD1-CD1 4.25Å; V203-I227 HydrophobicContact CG1-CG2 4.05Å; N204-I227 WeakPolarHBondContact OD1-CA 3.33Å; L220-I227 HydrophobicContact CD2-CD1 3.97Å; L220-I227 HydrophobicContact CD2-CG2 3.86Å; G225-I227 PolarHBondContact O-N 2.8Å; I227-F229 HydrophobicContact CB-CE2 4.05Å; I227-F229 HydrophobicContact CB-CZ 4.41Å; I227-F229 HydrophobicContact CG2-CD2 4.09Å; I227-F229 HydrophobicContact CG2-CE1 4.12Å; I227-F229 HydrophobicContact CG2-CE2 3.47Å; I227-F229 VanDerWaalsContact CG2-CE2 3.47Å; I227-F229 HydrophobicContact CG2-CZ 3.5Å
228	M	88.6	Confident	82.5	Confident	95 Å²	95	69 Å²	69	47%	0.468	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	129	174.6	-58.8	-146.2	-54.9	0	0	110.2	I154 V155 V203 N204	I154-M228 HydrophobicContact CG2-SD 4.49Å; V155-M228 CarbonylContact O-C 3.6Å; V155-M228 WeakPolarHBondContact O-CA 3.47Å; V203-M228 WeakPolarHBondContact CA-O 3.24Å; N204-M228 PolarHBondContact N-O 2.73Å; N204-M228 PolarHBondContact OD1-N 2.91Å
229	F	91.4	Very high	81	Confident	8 Å²	8	68.8 Å²	68.8	4%	0.035	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	133.6	174.8	-62	-84.9	0	0	0	109	I154 V155 L157 L164 L200 E202 V203 L220 I227 V231	I154-F229 CarbonylContact C-O 3.57Å; I154-F229 WeakPolarHBondContact CA-O 3.47Å; V155-F229 HydrophobicContact CB-CB 4.24Å; V155-F229 PolarHBondContact N-O 3.2Å; V155-F229 PolarHBondContact O-N 3.38Å; L157-F229 HydrophobicContact CB-CE2 4.26Å; L157-F229 HydrophobicContact CD1-CD2 4.38Å; L157-F229 HydrophobicContact CD1-CE2 3.85Å; L157-F229 HydrophobicContact CG-CD2 4.43Å; L157-F229 HydrophobicContact CG-CE2 4.17Å; L164-F229 HydrophobicContact CD1-CE2 4.22Å; L164-F229 HydrophobicContact CD1-CZ 3.72Å; L200-F229 HydrophobicContact CD2-CB 4.27Å; L200-F229 HydrophobicContact CD2-CD1 3.37Å; L200-F229 HydrophobicContact CD2-CE1 4.01Å; L200-F229 HydrophobicContact CD2-CG 4.17Å; E202-F229 WeakPolarHBondContact O-CA 3.33Å; V203-F229 HydrophobicContact CG1-CE1 4.31Å; V203-F229 HydrophobicContact CG2-CD1 3.82Å; V203-F229 HydrophobicContact CG2-CE1 3.9Å; L220-F229 HydrophobicContact CD2-CE1 3.75Å; L220-F229 HydrophobicContact CD2-CZ 3.66Å; I227-F229 HydrophobicContact CB-CE2 4.05Å; I227-F229 HydrophobicContact CB-CZ 4.41Å; I227-F229 HydrophobicContact CG2-CD2 4.09Å; I227-F229 HydrophobicContact CG2-CE1 4.12Å; I227-F229 HydrophobicContact CG2-CE2 3.47Å; I227-F229 VanDerWaalsContact CG2-CE2 3.47Å; I227-F229 HydrophobicContact CG2-CZ 3.5Å; F229-V231 HydrophobicContact CB-CG1 3.95Å
230	K	90.5	Very high	79.7	Confident	63 Å²	63	70 Å²	70	27%	0.274	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	115.9	163.9	-166.8	177.9	175.5	-175.1	0	106.8	M152 V201 E202	M152-K230 HydrophobicContact CB-CG 4.32Å; M152-K230 HydrophobicContact SD-CD 4.23Å; M152-K230 WeakPolarHBondContact SD-CE 3.48Å; M152-K230 HydrophobicContact SD-CG 4.27Å; V201-K230 WeakPolarHBondContact CB-O 3.37Å; V201-K230 PolarHBondContact N-O 3.23Å; E202-K230 HydrophobicContact CB-CB 3.8Å; E202-K230 HydrophobicContact CB-CD 4.34Å; E202-K230 HydrophobicContact CG-CB 4.36Å; E202-K230 HydrophobicContact CG-CD 4.05Å; E202-K230 PolarHBondContact N-O 3.32Å; E202-K230 PolarHBondContact O-N 2.89Å; E202-K230 VanDerWaalsContact OE1-CD 3.28Å; E202-K230 WeakPolarHBondContact OE1-CD 3.41Å; E202-K230 IonicContact OE1-NZ 3.81Å; E202-K230 PolarHBondContact OE1-NZ 3.15Å
231	V	92.2	Very high	78.2	Confident	0 Å²	0	75.6 Å²	75.6	0%	0	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	143.6	-174.3	-58.7	0	0	0	0	111.5	M152 R153 V155 L194 K199 L200 F229	M152-V231 CarbonylContact C-O 3.55Å; M152-V231 WeakPolarHBondContact CA-O 3.41Å; R153-V231 HydrophobicContact CB-CG2 4.07Å; R153-V231 PolarHBondContact N-O 3.08Å; R153-V231 WeakPolarHBondContact O-CG2 3.5Å; R153-V231 PolarHBondContact O-N 2.95Å; V155-V231 HydrophobicContact CG2-CG2 3.83Å; L194-V231 HydrophobicContact CD2-CG1 4.06Å; K199-V231 CarbonylContact O-C 3.6Å; K199-V231 WeakPolarHBondContact O-CA 3.41Å; K199-V231 WeakPolarHBondContact O-CB 3.41Å; L200-V231 HydrophobicContact CD2-CG1 3.81Å; L200-V231 HydrophobicContact CG-CG1 4.41Å; F229-V231 HydrophobicContact CB-CG1 3.95Å
232	V	90.1	Very high	77.1	Confident	19 Å²	19	76.2 Å²	76.2	12%	0.115	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	117	160.5	-177.5	0	0	0	0	106.8	E150 M152 K199 V201	E150-V232 HydrophobicContact CB-CG1 3.79Å; E150-V232 HydrophobicContact CB-CG2 4.26Å; E150-V232 HydrophobicContact CG-CG1 4.47Å; E150-V232 WeakPolarHBondContact OE2-CG1 3.39Å; M152-V232 HydrophobicContact CG-CG2 4.26Å; K199-V232 HydrophobicContact CB-CB 4.18Å; K199-V232 PolarHBondContact N-O 3.32Å; K199-V232 PolarHBondContact O-N 2.86Å; V201-V232 HydrophobicContact CG2-CG2 3.95Å
233	P	86.5	Confident	76.2	Confident	48 Å²	48	77.9 Å²	77.9	31%	0.312	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-70	145.8	-177.3	29.7	-33.3	0	0	0	111.2	A151 D198	A151-P233 WeakPolarHBondContact O-CD 3.47Å; D198-P233 WeakPolarHBondContact OD1-CA 3.49Å
234	V	84	Confident	75.9	Confident	49 Å²	49	82.8 Å²	82.8	30%	0.297	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-67.5	139.1	169.6	68.3	0	0	0	0	110.9	D198 D236 P237	D198-V234 PolarHBondContact OD1-N 3.01Å; V234-D236 VanDerWaalsContact C-N 3.35Å; V234-D236 PolarHBondContact O-N 3.37Å; V234-P237 HydrophobicContact CG1-CB 4.28Å
235	S	69.9	Low	76.3	Confident	113 Å²	113	74.2 Å²	74.2	79%	0.79	42%	0.418	S	S	*	.	S	Bend	trans	-61.5	-39.1	-175.6	-51.8	0	0	0	0	113.5
236	D	65.8	Low	76.6	Confident	143 Å²	143	78.8 Å²	78.8	77%	0.765	43%	0.425	S	S	*	.	S	Bend	trans	-128.3	93.9	-179.1	-70.5	-46.3	0	0	0	110.1	V234	V234-D236 VanDerWaalsContact C-N 3.35Å; V234-D236 PolarHBondContact O-N 3.37Å
237	P	62	Low	76.9	Confident	57 Å²	57	77.3 Å²	77.3	37%	0.37	42%	0.415	S	S	.	.			trans	-68.6	136.7	177.1	25.8	-31.8	0	0	0	110.6	Y195 V234 V239	Y195-P237 HydrophobicContact CD1-CB 3.55Å; Y195-P237 HydrophobicContact CE1-CB 3.99Å; Y195-P237 HydrophobicContact CG-CB 3.89Å; V234-P237 HydrophobicContact CG1-CB 4.28Å; P237-V239 PolarHBondContact O-N 2.64Å
238	P	60.1	Low	77	Confident	90 Å²	90	85.4 Å²	85.4	58%	0.584	45%	0.446	S	S	*	.			trans	-64.9	124.9	179.8	24.1	-31.9	0	0	0	111.1	N240	P238-N240 PolarHBondContact O-N 2.81Å
239	V	56.7	Low	77.2	Confident	117 Å²	117	81.2 Å²	81.2	71%	0.709	43%	0.427	S	S	*	.			trans	-84.2	108.7	174.7	-177.9	0	0	0	0	108.9	P237 N241	P237-V239 PolarHBondContact O-N 2.64Å; V239-N241 PolarHBondContact O-N 3.44Å; V239-N241 VanDerWaalsContact O-N 3.15Å
240	N	59.1	Low	76.9	Confident	62 Å²	62	87.4 Å²	87.4	33%	0.332	46%	0.457	S	S	.	.			trans	-77.1	101.1	177.2	-168.4	16.1	0	0	0	110.9	H184 P238 Q242 N282	H184-N240 PolarHBondContact CE1-ND2 3.2Å; H184-N240 PolarHBondContact NE2-ND2 2.99Å; P238-N240 PolarHBondContact O-N 2.81Å; N240-Q242 PolarHBondContact OD1-N 2.96Å; N240-N282 PolarHBondContact OD1-ND2 3.49Å
241	N	54.7	Low	76.6	Confident	145 Å²	145	85.6 Å²	85.6	78%	0.775	45%	0.452	S	S	*	.			trans	-104.8	16.3	179.1	-90.1	-11.1	0	0	0	113.5	V239	V239-N241 PolarHBondContact O-N 3.44Å; V239-N241 VanDerWaalsContact O-N 3.15Å
242	Q	61.7	Low	76.5	Confident	77 Å²	77	91.4 Å²	91.4	36%	0.36	48%	0.479	S	S	.	.	P	Polyproline II helix	trans	-80.8	142.1	-172	-68.3	-170.6	-17.1	0	0	113.9	N240 N282	N240-Q242 PolarHBondContact OD1-N 2.96Å; Q242-N282 PolarHBondContact NE2-OD1 3.19Å
243	K	63.9	Low	76.5	Confident	171 Å²	171	91.3 Å²	91.3	74%	0.743	48%	0.476	S	S	*	.	P	Polyproline II helix	trans	-76.7	135.6	174	-73.6	178.8	179.3	174	0	109.9	V245	K243-V245 PolarHBondContact O-N 3.39Å
244	M	77.1	Confident	76.8	Confident	124 Å²	124	93 Å²	93	61%	0.611	48%	0.477	S	S	*	.	P	Polyproline II helix	trans	-60.9	133.1	172.7	-64.9	177.7	-177.8	0	0	110.8	Q277	M244-Q277 PolarHBondContact SD-NE2 2.78Å
245	V	88.8	Confident	77.2	Confident	59 Å²	59	90.7 Å²	90.7	36%	0.358	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	142.2	178.5	-178.2	0	0	0	0	109.6	K243 V247 I278	K243-V245 PolarHBondContact O-N 3.39Å; V245-V247 HydrophobicContact CG1-CG1 4.07Å; V245-I278 HydrophobicContact CB-CB 4.44Å; V245-I278 PolarHBondContact N-O 2.82Å; V245-I278 PolarHBondContact O-N 3.22Å
246	Y	91.6	Very high	78.1	Confident	133 Å²	133	91 Å²	91	52%	0.522	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	129.3	173	-62.7	-84.3	0	0	0	109.8	L276 Q277 I292	Y246-L276 WeakPolarHBondContact CA-O 3.25Å; Y246-Q277 HydrophobicContact CD1-CB 3.78Å; Y246-Q277 HydrophobicContact CD1-CG 3.98Å; Y246-Q277 HydrophobicContact CE1-CB 3.63Å; Y246-Q277 HydrophobicContact CE1-CG 3.54Å; Y246-Q277 PolarHBondContact OH-NE2 2.88Å; Y246-I292 HydrophobicContact CD1-CD1 3.59Å; Y246-I292 HydrophobicContact CD1-CG1 4.11Å; Y246-I292 HydrophobicContact CE1-CD1 3.82Å; Y246-I292 HydrophobicContact CE1-CG1 4.12Å
247	V	90.9	Very high	79.1	Confident	50 Å²	50	91.6 Å²	91.6	30%	0.303	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	149.6	179.4	-57.4	0	0	0	0	110.1	V245 I275 L276 I278	V245-V247 HydrophobicContact CG1-CG1 4.07Å; V247-I275 CarbonylContact O-C 3.56Å; V247-I275 WeakPolarHBondContact O-CA 3.49Å; V247-L276 HydrophobicContact CG2-CB 3.85Å; V247-L276 PolarHBondContact N-O 3.43Å; V247-L276 PolarHBondContact O-N 3.23Å; V247-I278 HydrophobicContact CG1-CG1 4.06Å; V247-I278 HydrophobicContact CG2-CD1 3.75Å; V247-I278 HydrophobicContact CG2-CG1 3.89Å
248	R	92.5	Very high	80.1	Confident	170 Å²	170	89.4 Å²	89.4	64%	0.642	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.4	125.3	170.3	179	177.5	-73.1	173.7	-2.1	108.6	M250 D274 I275	R248-M250 PolarHBondContact O-N 2.83Å; R248-D274 CarbonylContact C-O 3.59Å; R248-D274 WeakPolarHBondContact CA-O 3.47Å; R248-I275 HydrophobicContact CB-CD1 3.66Å; R248-I275 HydrophobicContact CG-CD1 3.77Å
249	A	90.9	Very high	81.1	Confident	8 Å²	8	90.9 Å²	90.9	7%	0.066	44%	0.444	C	S	.	.			trans	-65.7	124.5	174.5	0	0	0	0	0	110	F270 Q271 G273 D274	A249-F270 HydrophobicContact CB-CD2 3.5Å; A249-F270 HydrophobicContact CB-CE2 3.84Å; A249-F270 HydrophobicContact CB-CG 4.42Å; A249-Q271 WeakPolarHBondContact CB-O 3.13Å; A249-G273 PolarHBondContact O-N 2.87Å; A249-D274 HydrophobicContact CB-CB 4.36Å; A249-D274 PolarHBondContact N-O 2.78Å
250	M	85.6	Confident	82.3	Confident	137 Å²	137	90 Å²	90	68%	0.675	44%	0.436	S	S	*	.	S	Bend	trans	-95.3	-0.4	176.9	-62.8	-59.5	-70.1	0	0	112.6	R248 K272	R248-M250 PolarHBondContact O-N 2.83Å; M250-K272 WeakPolarHBondContact O-CD 3.46Å; M250-K272 WeakPolarHBondContact O-CE 3.46Å
251	T	83.6	Confident	83.7	Confident	26 Å²	26	88 Å²	88	16%	0.16	43%	0.425	C	S	.	.	S	Bend	trans	-146.7	166.7	-177	-168.4	0	0	0	0	110.2	F270 Q271 K272 L308 Q312	T251-F270 HydrophobicContact CG2-CE2 4.23Å; T251-F270 WeakPolarHBondContact O-CE2 3.32Å; T251-Q271 CarbonylContact O-C 3.52Å; T251-K272 WeakPolarHBondContact O-CA 3.28Å; T251-K272 PolarHBondContact O-N 3.37Å; T251-L308 HydrophobicContact CG2-CD1 3.94Å; T251-L308 HydrophobicContact CG2-CD2 3.62Å; T251-L308 HydrophobicContact CG2-CG 3.97Å; T251-Q312 VanDerWaalsContact CG2-NE2 3.33Å; T251-Q312 PolarHBondContact OG1-NE2 3.08Å
252	E	90.8	Very high	85.1	Confident	122 Å²	122	85 Å²	85	57%	0.57	41%	0.413	S	S	*	.			trans	-86.7	154.9	163.9	63.7	-158.3	138.3	0	0	111.4	F270	E252-F270 CarbonylContact C-O 3.53Å; E252-F270 VanDerWaalsContact CA-O 3.31Å; E252-F270 WeakPolarHBondContact CA-O 3.35Å
253	Y	91.4	Very high	86.3	Confident	16 Å²	16	83.1 Å²	83.1	6%	0.063	41%	0.409	C	S	.	.	B	Isolated β-bridge	trans	-147.1	126.8	176.4	175	-111.3	0	0	0	110	P255 D258 P269 F270 W286 P303	Y253-P255 HydrophobicContact CD1-CG 4.32Å; Y253-P255 HydrophobicContact CE1-CB 4.34Å; Y253-P255 HydrophobicContact CE1-CG 3.73Å; Y253-D258 HydrophobicContact CE2-CB 3.97Å; Y253-D258 VanDerWaalsContact CE2-OD2 3.27Å; Y253-D258 WeakPolarHBondContact CE2-OD2 3.48Å; Y253-D258 PolarHBondContact OH-OD2 3.48Å; Y253-P269 WeakPolarHBondContact O-CA 3.03Å; Y253-F270 VanDerWaalsContact CB-CE1 3.41Å; Y253-F270 AromaticContact CD1-CD1 3.97Å; Y253-F270 HydrophobicContact CD1-CD1 3.97Å; Y253-F270 AromaticContact CD1-CE1 3.53Å; Y253-F270 HydrophobicContact CD1-CE1 3.53Å; Y253-F270 HydrophobicContact CD1-CZ 4.19Å; Y253-F270 HydrophobicContact CG-CD1 4.36Å; Y253-F270 AromaticContact CG-CE1 3.74Å; Y253-F270 HydrophobicContact CG-CE1 3.74Å; Y253-F270 AromaticContact CG-CZ 3.9Å; Y253-F270 HydrophobicContact CG-CZ 3.9Å; Y253-F270 PolarHBondContact N-O 2.9Å; Y253-F270 PolarHBondContact O-N 3.35Å; Y253-F270 VanDerWaalsContact O-N 3.09Å; Y253-W286 VanDerWaalsContact OH-CH2 3.27Å; Y253-W286 WeakPolarHBondContact OH-CH2 3.32Å; Y253-W286 WeakPolarHBondContact OH-CZ3 3.19Å; Y253-P303 HydrophobicContact CD1-CG 4.23Å; Y253-P303 HydrophobicContact CD2-CG 3.72Å; Y253-P303 VanDerWaalsContact CE1-CD 3.4Å; Y253-P303 HydrophobicContact CE1-CG 3.93Å; Y253-P303 HydrophobicContact CE2-CG 3.39Å; Y253-P303 HydrophobicContact CG-CG 4.13Å
254	W	91.4	Very high	87.5	Confident	84 Å²	84	79.6 Å²	79.6	32%	0.318	40%	0.396	S	S	.	.			trans	-120.2	109.2	177.7	-60.4	118.2	0	0	0	109.5	Q256 E257 P269 Q271	W254-Q256 PolarHBondContact O-N 2.86Å; W254-Q256 VanDerWaalsContact O-N 3.09Å; W254-E257 HydrophobicContact CB-CB 4.37Å; W254-E257 HydrophobicContact CB-CG 4.07Å; W254-E257 PolarHBondContact O-N 3.5Å; W254-P269 HydrophobicContact CE3-CB 3.52Å; W254-P269 HydrophobicContact CZ3-CB 3.54Å; W254-P269 HydrophobicContact CZ3-CG 4.47Å; W254-Q271 HydrophobicContact CH2-CG 4.17Å; W254-Q271 HydrophobicContact CZ2-CG 4.15Å
255	P	92	Very high	88	Confident	0 Å²	0	81.5 Å²	81.5	0%	0	41%	0.408	C	S	.	.	G	3₁₀ helix	trans	-54.7	-27.8	179.3	-27	33.2	0	0	0	114.4	Y253 E257 D258 I261 P269	Y253-P255 HydrophobicContact CD1-CG 4.32Å; Y253-P255 HydrophobicContact CE1-CB 4.34Å; Y253-P255 HydrophobicContact CE1-CG 3.73Å; P255-E257 VanDerWaalsContact C-N 3.29Å; P255-E257 PolarHBondContact O-N 3.31Å; P255-D258 PolarHBondContact O-N 2.74Å; P255-I261 HydrophobicContact CB-CD1 3.84Å; P255-P269 HydrophobicContact CG-CB 4.39Å
256	Q	90.1	Very high	88.1	Confident	120 Å²	120	79.6 Å²	79.6	56%	0.561	40%	0.399	S	S	*	.	G	3₁₀ helix	trans	-70.9	-24.9	-180	-60.9	78.6	14.6	0	0	113	W254 D258 M264	W254-Q256 PolarHBondContact O-N 2.86Å; W254-Q256 VanDerWaalsContact O-N 3.09Å; Q256-D258 VanDerWaalsContact C-N 3.34Å; Q256-M264 HydrophobicContact CB-SD 4.46Å; Q256-M264 HydrophobicContact CG-SD 4.27Å
257	E	87.2	Confident	88.1	Confident	156 Å²	156	74 Å²	74	73%	0.729	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-92.8	1.1	179.1	-61.2	179.4	171.9	0	0	111.8	W254 P255 P259	W254-E257 HydrophobicContact CB-CB 4.37Å; W254-E257 HydrophobicContact CB-CG 4.07Å; W254-E257 PolarHBondContact O-N 3.5Å; P255-E257 VanDerWaalsContact C-N 3.29Å; P255-E257 PolarHBondContact O-N 3.31Å; E257-P259 WeakPolarHBondContact O-CD 3.15Å
258	D	82.8	Confident	88.2	Confident	10 Å²	10	73 Å²	73	5%	0.053	38%	0.375	C	S	.	.			trans	-106.3	104.3	-174.8	-167.4	-29.1	0	0	0	111.2	Y253 P255 Q256 D260 I261 W286 K311	Y253-D258 HydrophobicContact CE2-CB 3.97Å; Y253-D258 VanDerWaalsContact CE2-OD2 3.27Å; Y253-D258 WeakPolarHBondContact CE2-OD2 3.48Å; Y253-D258 PolarHBondContact OH-OD2 3.48Å; P255-D258 PolarHBondContact O-N 2.74Å; Q256-D258 VanDerWaalsContact C-N 3.34Å; D258-D260 PolarHBondContact O-N 2.96Å; D258-D260 WeakPolarHBondContact OD1-CA 3.49Å; D258-D260 WeakPolarHBondContact OD1-CB 3.49Å; D258-D260 PolarHBondContact OD1-N 3.29Å; D258-I261 HydrophobicContact CB-CB 4.42Å; D258-I261 VanDerWaalsContact O-CG2 3.24Å; D258-I261 WeakPolarHBondContact O-CG2 3.36Å; D258-I261 PolarHBondContact OD1-N 3.45Å; D258-W286 VanDerWaalsContact OD2-CH2 3.31Å; D258-W286 WeakPolarHBondContact OD2-CH2 3.21Å; D258-K311 IonicContact OD1-NZ 3.97Å; D258-K311 PolarHBondContact OD1-NZ 2.96Å; D258-K311 IonicContact OD2-NZ 3.66Å; D258-K311 PolarHBondContact OD2-NZ 2.87Å
259	P	81.1	Confident	88.3	Confident	121 Å²	121	66.7 Å²	66.7	79%	0.786	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-17.6	178.9	30	-35.5	0	0	0	113.4	E257	E257-P259 WeakPolarHBondContact O-CD 3.15Å
260	D	81.8	Confident	88.4	Confident	100 Å²	100	66.6 Å²	66.6	54%	0.535	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-2.8	-177.4	-52.6	-49.3	0	0	0	112.8	D258 P262 W286 K311	D258-D260 PolarHBondContact O-N 2.96Å; D258-D260 WeakPolarHBondContact OD1-CA 3.49Å; D258-D260 WeakPolarHBondContact OD1-CB 3.49Å; D258-D260 PolarHBondContact OD1-N 3.29Å; D260-P262 WeakPolarHBondContact O-CD 3.47Å; D260-W286 HydrophobicContact CB-CZ2 4.35Å; D260-W286 WeakPolarHBondContact O-CZ2 3.37Å; D260-K311 WeakPolarHBondContact OD2-CE 3.04Å; D260-K311 IonicContact OD2-NZ 2.64Å; D260-K311 PolarHBondContact OD2-NZ 2.77Å
261	I	87.6	Confident	88.8	Confident	18 Å²	18	65.1 Å²	65.1	9%	0.092	35%	0.345	C	S	.	.			trans	-68	127.3	-178.2	-166.6	172.6	0	0	0	110.7	P255 D258 C263 M264 W286 L301	P255-I261 HydrophobicContact CB-CD1 3.84Å; D258-I261 HydrophobicContact CB-CB 4.42Å; D258-I261 VanDerWaalsContact O-CG2 3.24Å; D258-I261 WeakPolarHBondContact O-CG2 3.36Å; D258-I261 PolarHBondContact OD1-N 3.45Å; I261-C263 PolarHBondContact O-N 3.37Å; I261-M264 HydrophobicContact CG2-CB 4.06Å; I261-W286 VanDerWaalsContact CA-CZ2 3.43Å; I261-W286 HydrophobicContact CB-CH2 3.65Å; I261-W286 HydrophobicContact CB-CZ2 4.02Å; I261-W286 HydrophobicContact CB-CZ3 4.21Å; I261-W286 HydrophobicContact CD1-CH2 4.38Å; I261-W286 HydrophobicContact CD1-CZ3 4.09Å; I261-W286 HydrophobicContact CG1-CE3 4.28Å; I261-W286 HydrophobicContact CG1-CH2 3.74Å; I261-W286 HydrophobicContact CG1-CZ2 4.26Å; I261-W286 HydrophobicContact CG1-CZ3 3.76Å; I261-L301 HydrophobicContact CD1-CB 4.49Å
262	P	84.4	Confident	89.2	Confident	82 Å²	82	71 Å²	71	53%	0.532	37%	0.369	S	S	.	.	S	Bend	trans	-62.6	-30.1	-177.2	-25.3	32.9	0	0	0	113.5	D260 W286	D260-P262 WeakPolarHBondContact O-CD 3.47Å; P262-W286 VanDerWaalsContact CD-NE1 3.34Å; P262-W286 HydrophobicContact CG-CD2 4.3Å; P262-W286 HydrophobicContact CG-CG 3.93Å
263	C	87.1	Confident	89.2	Confident	39 Å²	39	67.2 Å²	67.2	26%	0.264	36%	0.362	S	S	.	.			trans	-152.7	105.2	178.2	-179.9	0	0	0	0	108.5	T167 I261 D265 A266 G267	T167-C263 HydrophobicContact CG2-CB 4.15Å; I261-C263 PolarHBondContact O-N 3.37Å; C263-D265 VanDerWaalsContact C-N 3.3Å; C263-D265 PolarHBondContact O-N 2.99Å; C263-A266 HydrophobicContact CB-CB 4.04Å; C263-A266 PolarHBondContact O-N 2.88Å; C263-A266 VanDerWaalsContact O-N 3.15Å; C263-G267 PolarHBondContact O-N 3.3Å
264	M	89.1	Confident	89.3	Confident	97 Å²	97	68.4 Å²	68.4	48%	0.478	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-57.8	-42.5	-178.3	-171.1	-170.7	-63.8	0	0	112	Q256 I261 A266 G267	Q256-M264 HydrophobicContact CB-SD 4.46Å; Q256-M264 HydrophobicContact CG-SD 4.27Å; I261-M264 HydrophobicContact CG2-CB 4.06Å; M264-A266 PolarHBondContact O-N 2.87Å; M264-G267 PolarHBondContact O-N 3.15Å
265	D	87.1	Confident	89.4	Confident	163 Å²	163	67.1 Å²	67.1	87%	0.872	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-64.4	-23.7	-179.8	-66.6	-32.2	0	0	0	113.6	C263	C263-D265 VanDerWaalsContact C-N 3.3Å; C263-D265 PolarHBondContact O-N 2.99Å
266	A	90.5	Very high	89.5	Confident	20 Å²	20	67.3 Å²	67.3	17%	0.165	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	-89.4	-4.7	175.7	0	0	0	0	0	112.7	T167 C263 M264 G300 L301	T167-A266 HydrophobicContact CG2-CB 4.44Å; C263-A266 HydrophobicContact CB-CB 4.04Å; C263-A266 PolarHBondContact O-N 2.88Å; C263-A266 VanDerWaalsContact O-N 3.15Å; M264-A266 PolarHBondContact O-N 2.87Å; A266-G300 CarbonylContact O-C 3.57Å; A266-G300 WeakPolarHBondContact O-CA 3.47Å; A266-L301 HydrophobicContact CB-CD1 3.99Å; A266-L301 HydrophobicContact CB-CG 4.11Å; A266-L301 PolarHBondContact O-N 3.45Å
267	G	91.9	Very high	89.6	Confident	16 Å²	16	62.1 Å²	62.1	17%	0.165	35%	0.345	C	S	.	.	B	Isolated β-bridge	trans	-67.6	137	-178	0	0	0	0	0	113.3	C263 M264 P269	C263-G267 PolarHBondContact O-N 3.3Å; M264-G267 PolarHBondContact O-N 3.15Å; G267-P269 WeakPolarHBondContact O-CD 3.44Å
268	L	93.4	Very high	89.9	Confident	27 Å²	27	54.9 Å²	54.9	14%	0.141	31%	0.311	C	S	.	.			trans	-99	106.4	172.9	-179.4	67.7	0	0	0	109.9	L276 A289 K291 L301 V302	L268-L276 HydrophobicContact CD2-CD2 4.32Å; L268-A289 HydrophobicContact CD2-CB 4.2Å; L268-A289 WeakPolarHBondContact CD2-O 3.38Å; L268-K291 HydrophobicContact CD1-CG 4.36Å; L268-K291 HydrophobicContact CD2-CG 4.33Å; L268-L301 PolarHBondContact N-O 3.13Å; L268-V302 HydrophobicContact CB-CG1 3.82Å; L268-V302 HydrophobicContact CD2-CG1 4Å; L268-V302 HydrophobicContact CG-CG1 4.28Å
269	P	94.4	Very high	90.2	Very high	39 Å²	39	55.3 Å²	55.3	25%	0.253	31%	0.314	S	S	.	.			trans	-70	140.8	173.5	27.4	-33	0	0	0	111.2	Y253 W254 P255 G267 K291	Y253-P269 WeakPolarHBondContact O-CA 3.03Å; W254-P269 HydrophobicContact CE3-CB 3.52Å; W254-P269 HydrophobicContact CZ3-CB 3.54Å; W254-P269 HydrophobicContact CZ3-CG 4.47Å; P255-P269 HydrophobicContact CG-CB 4.39Å; G267-P269 WeakPolarHBondContact O-CD 3.44Å; P269-K291 WeakPolarHBondContact O-CE 3.45Å; P269-K291 PolarHBondContact O-NZ 3.18Å
270	F	94.1	Very high	90.5	Very high	5 Å²	5	50.4 Å²	50.4	2%	0.022	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-143.7	153.2	176.2	61	-99.6	0	0	0	112.6	A249 T251 E252 Y253 D274 L276 V302 L308	A249-F270 HydrophobicContact CB-CD2 3.5Å; A249-F270 HydrophobicContact CB-CE2 3.84Å; A249-F270 HydrophobicContact CB-CG 4.42Å; T251-F270 HydrophobicContact CG2-CE2 4.23Å; T251-F270 WeakPolarHBondContact O-CE2 3.32Å; E252-F270 CarbonylContact C-O 3.53Å; E252-F270 VanDerWaalsContact CA-O 3.31Å; E252-F270 WeakPolarHBondContact CA-O 3.35Å; Y253-F270 VanDerWaalsContact CB-CE1 3.41Å; Y253-F270 AromaticContact CD1-CD1 3.97Å; Y253-F270 HydrophobicContact CD1-CD1 3.97Å; Y253-F270 AromaticContact CD1-CE1 3.53Å; Y253-F270 HydrophobicContact CD1-CE1 3.53Å; Y253-F270 HydrophobicContact CD1-CZ 4.19Å; Y253-F270 HydrophobicContact CG-CD1 4.36Å; Y253-F270 AromaticContact CG-CE1 3.74Å; Y253-F270 HydrophobicContact CG-CE1 3.74Å; Y253-F270 AromaticContact CG-CZ 3.9Å; Y253-F270 HydrophobicContact CG-CZ 3.9Å; Y253-F270 PolarHBondContact N-O 2.9Å; Y253-F270 PolarHBondContact O-N 3.35Å; Y253-F270 VanDerWaalsContact O-N 3.09Å; F270-D274 WeakPolarHBondContact CA-OD2 3.4Å; F270-D274 HydrophobicContact CB-CB 4.32Å; F270-L276 HydrophobicContact CB-CD1 4.28Å; F270-L276 HydrophobicContact CB-CD2 4.01Å; F270-L276 HydrophobicContact CD1-CD1 3.73Å; F270-L276 HydrophobicContact CD2-CD1 4.33Å; F270-L276 HydrophobicContact CE1-CD1 4.07Å; F270-L276 HydrophobicContact CG-CD1 3.86Å; F270-L276 HydrophobicContact CG-CD2 4.49Å; F270-V302 HydrophobicContact CD1-CB 4.49Å; F270-V302 HydrophobicContact CD1-CG1 3.83Å; F270-V302 HydrophobicContact CE1-CB 3.92Å; F270-V302 HydrophobicContact CE1-CG1 3.77Å; F270-L308 HydrophobicContact CZ-CD2 4.33Å
271	Q	93.4	Very high	90.8	Very high	106 Å²	106	48.7 Å²	48.7	50%	0.495	27%	0.27	S	S	.	.			trans	-107.2	159.5	177.8	-67.5	-177.6	-4.2	0	0	111	A249 T251 W254 G273 D274	A249-Q271 WeakPolarHBondContact CB-O 3.13Å; T251-Q271 CarbonylContact O-C 3.52Å; W254-Q271 HydrophobicContact CH2-CG 4.17Å; W254-Q271 HydrophobicContact CZ2-CG 4.15Å; Q271-G273 PolarHBondContact O-N 2.92Å; Q271-D274 PolarHBondContact N-OD2 2.93Å; Q271-D274 VanDerWaalsContact O-CB 3.27Å; Q271-D274 WeakPolarHBondContact O-CB 3.41Å; Q271-D274 PolarHBondContact O-N 3.43Å
272	K	91.3	Very high	90.5	Very high	151 Å²	151	52.3 Å²	52.3	66%	0.657	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	125	173.1	-179.4	174.3	-177.2	178.7	0	110.2	M250 T251	M250-K272 WeakPolarHBondContact O-CD 3.46Å; M250-K272 WeakPolarHBondContact O-CE 3.46Å; T251-K272 WeakPolarHBondContact O-CA 3.28Å; T251-K272 PolarHBondContact O-N 3.37Å
273	G	90.5	Very high	90.2	Very high	41 Å²	41	50.7 Å²	50.7	42%	0.423	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	100.8	-17	-177.6	0	0	0	0	0	114.2	A249 Q271	A249-G273 PolarHBondContact O-N 2.87Å; Q271-G273 PolarHBondContact O-N 2.92Å
274	D	93.6	Very high	89.7	Confident	41 Å²	41	52.1 Å²	52.1	22%	0.219	29%	0.291	C	S	.	.			trans	-57.6	141.4	175.6	-78.2	-8.4	0	0	0	110.5	R248 A249 F270 Q271 L276 K291	R248-D274 CarbonylContact C-O 3.59Å; R248-D274 WeakPolarHBondContact CA-O 3.47Å; A249-D274 HydrophobicContact CB-CB 4.36Å; A249-D274 PolarHBondContact N-O 2.78Å; F270-D274 WeakPolarHBondContact CA-OD2 3.4Å; F270-D274 HydrophobicContact CB-CB 4.32Å; Q271-D274 PolarHBondContact N-OD2 2.93Å; Q271-D274 VanDerWaalsContact O-CB 3.27Å; Q271-D274 WeakPolarHBondContact O-CB 3.41Å; Q271-D274 PolarHBondContact O-N 3.43Å; D274-L276 HydrophobicContact CB-CD2 4.37Å; D274-K291 WeakPolarHBondContact OD2-CE 3.44Å; D274-K291 IonicContact OD2-NZ 3.82Å; D274-K291 PolarHBondContact OD2-NZ 3.2Å
275	I	93.9	Very high	89.3	Confident	57 Å²	57	51.2 Å²	51.2	29%	0.292	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	118.5	171.8	-48.1	-61.2	0	0	0	108.8	V247 R248 I292	V247-I275 CarbonylContact O-C 3.56Å; V247-I275 WeakPolarHBondContact O-CA 3.49Å; R248-I275 HydrophobicContact CB-CD1 3.66Å; R248-I275 HydrophobicContact CG-CD1 3.77Å; I275-I292 HydrophobicContact CB-CD1 3.83Å; I275-I292 HydrophobicContact CB-CG1 4.26Å; I275-I292 HydrophobicContact CG2-CD1 3.29Å; I275-I292 HydrophobicContact CG2-CG1 4.03Å; I275-I292 PolarHBondContact O-N 3.09Å; I275-I292 VanDerWaalsContact O-N 3.15Å
276	L	94.1	Very high	89.4	Confident	5 Å²	5	44 Å²	44	3%	0.026	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	130.7	179.8	-51.7	179.2	0	0	0	109.1	Y246 V247 L268 F270 D274 I278 A289 R290 K291 V302	Y246-L276 WeakPolarHBondContact CA-O 3.25Å; V247-L276 HydrophobicContact CG2-CB 3.85Å; V247-L276 PolarHBondContact N-O 3.43Å; V247-L276 PolarHBondContact O-N 3.23Å; L268-L276 HydrophobicContact CD2-CD2 4.32Å; F270-L276 HydrophobicContact CB-CD1 4.28Å; F270-L276 HydrophobicContact CB-CD2 4.01Å; F270-L276 HydrophobicContact CD1-CD1 3.73Å; F270-L276 HydrophobicContact CD2-CD1 4.33Å; F270-L276 HydrophobicContact CE1-CD1 4.07Å; F270-L276 HydrophobicContact CG-CD1 3.86Å; F270-L276 HydrophobicContact CG-CD2 4.49Å; D274-L276 HydrophobicContact CB-CD2 4.37Å; L276-I278 HydrophobicContact CB-CD1 4.29Å; L276-A289 HydrophobicContact CB-CB 4.36Å; L276-R290 WeakPolarHBondContact CA-O 3.45Å; L276-K291 HydrophobicContact CD2-CG 3.87Å; L276-V302 HydrophobicContact CD1-CG1 4.38Å
277	Q	93.2	Very high	89.5	Confident	11 Å²	11	44.9 Å²	44.9	5%	0.051	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	110.3	167.4	-179	173.3	10.9	0	0	108.4	M244 Y246 V279 A289 R290	M244-Q277 PolarHBondContact SD-NE2 2.78Å; Y246-Q277 HydrophobicContact CD1-CB 3.78Å; Y246-Q277 HydrophobicContact CD1-CG 3.98Å; Y246-Q277 HydrophobicContact CE1-CB 3.63Å; Y246-Q277 HydrophobicContact CE1-CG 3.54Å; Y246-Q277 PolarHBondContact OH-NE2 2.88Å; Q277-V279 HydrophobicContact CG-CG1 4.32Å; Q277-A289 CarbonylContact O-C 3.41Å; Q277-A289 WeakPolarHBondContact O-CA 3.46Å; Q277-R290 HydrophobicContact CB-CG 3.91Å; Q277-R290 VanDerWaalsContact CD-NH2 3.32Å; Q277-R290 HydrophobicContact CG-CG 4.48Å; Q277-R290 PolarHBondContact N-O 2.78Å; Q277-R290 PolarHBondContact O-N 3.2Å
278	I	92.6	Very high	89.6	Confident	3 Å²	3	44.1 Å²	44.1	2%	0.015	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	121.7	175.1	-47.8	-55.3	0	0	0	108.4	V245 V247 L276 Q281 W287 A289 V302	V245-I278 HydrophobicContact CB-CB 4.44Å; V245-I278 PolarHBondContact N-O 2.82Å; V245-I278 PolarHBondContact O-N 3.22Å; V247-I278 HydrophobicContact CG1-CG1 4.06Å; V247-I278 HydrophobicContact CG2-CD1 3.75Å; V247-I278 HydrophobicContact CG2-CG1 3.89Å; L276-I278 HydrophobicContact CB-CD1 4.29Å; I278-Q281 HydrophobicContact CG2-CG 3.42Å; I278-Q281 VanDerWaalsContact CG2-CG 3.42Å; I278-W287 HydrophobicContact CD1-CE3 4.25Å; I278-W287 HydrophobicContact CG1-CE3 4.44Å; I278-W287 HydrophobicContact CG2-CB 4.34Å; I278-W287 HydrophobicContact CG2-CE3 4.3Å; I278-A289 HydrophobicContact CD1-CB 3.6Å; I278-V302 HydrophobicContact CD1-CG2 4.4Å
279	V	89.7	Confident	89.6	Confident	19 Å²	19	42.9 Å²	42.9	12%	0.115	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	-23.5	-178	-63.7	0	0	0	0	112.4	H184 Q277 Q288 A299	H184-V279 HydrophobicContact CB-CB 4.35Å; H184-V279 HydrophobicContact CB-CG2 3.59Å; Q277-V279 HydrophobicContact CG-CG1 4.32Å; V279-Q288 HydrophobicContact CG2-CB 3.84Å; V279-Q288 VanDerWaalsContact CG2-O 3.32Å; V279-Q288 WeakPolarHBondContact CG2-O 2.82Å; V279-Q288 PolarHBondContact N-O 3.25Å; V279-A299 HydrophobicContact CG2-CB 3.79Å
280	D	86.9	Confident	89.5	Confident	19 Å²	19	44.2 Å²	44.2	10%	0.102	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	128.4	-179.7	-171.5	-2	0	0	0	111.1	H184 N282 W287 Q288	H184-D280 VanDerWaalsContact CE1-CB 3.47Å; H184-D280 WeakPolarHBondContact CE1-CB 3.39Å; H184-D280 IonicContact CE1-OD2 2.78Å; H184-D280 PolarHBondContact CE1-OD2 2.86Å; H184-D280 IonicContact ND1-OD2 3.46Å; D280-N282 VanDerWaalsContact OD1-CB 3.23Å; D280-N282 WeakPolarHBondContact OD1-CB 3.49Å; D280-N282 PolarHBondContact OD1-N 3.31Å; D280-N282 PolarHBondContact OD1-ND2 3.38Å; D280-W287 WeakPolarHBondContact O-CA 3.39Å; D280-W287 WeakPolarHBondContact O-CB 3.33Å; D280-Q288 HydrophobicContact CB-CB 3.84Å; D280-Q288 HydrophobicContact CB-CG 3.94Å; D280-Q288 PolarHBondContact N-O 2.91Å; D280-Q288 PolarHBondContact O-N 2.82Å; D280-Q288 PolarHBondContact OD2-NE2 3.09Å
281	Q	87.3	Confident	89.3	Confident	63 Å²	63	46.3 Å²	46.3	29%	0.294	24%	0.242	S	C	.	.			trans	-124.9	17.1	176.2	-54.9	178.3	12.2	0	0	111.7	I278 D283 W287	I278-Q281 HydrophobicContact CG2-CG 3.42Å; I278-Q281 VanDerWaalsContact CG2-CG 3.42Å; Q281-D283 PolarHBondContact O-N 2.79Å; Q281-W287 HydrophobicContact CB-CG 4.4Å; Q281-W287 HydrophobicContact CG-CD2 4.03Å; Q281-W287 HydrophobicContact CG-CG 4.15Å
282	N	81.4	Confident	89.1	Confident	94 Å²	94	45.2 Å²	45.2	50%	0.503	24%	0.239	S	C	.	.			trans	-64.5	-28.4	-179.2	-68.9	-44.6	0	0	0	112.3	N240 Q242 D280	N240-N282 PolarHBondContact OD1-ND2 3.49Å; Q242-N282 PolarHBondContact NE2-OD1 3.19Å; D280-N282 VanDerWaalsContact OD1-CB 3.23Å; D280-N282 WeakPolarHBondContact OD1-CB 3.49Å; D280-N282 PolarHBondContact OD1-N 3.31Å; D280-N282 PolarHBondContact OD1-ND2 3.38Å
283	D	79.3	Confident	88.7	Confident	49 Å²	49	43 Å²	43	26%	0.262	24%	0.243	S	C	.	.	S	Bend	trans	-87.7	127.3	169.6	-178.9	-31.9	0	0	0	110.5	R181 Q281 L285 W286 W287	R181-D283 IonicContact CZ-OD2 3.58Å; R181-D283 IonicContact NH1-OD2 2.86Å; R181-D283 IonicContact NH2-OD2 2.61Å; R181-D283 PolarHBondContact NH2-OD2 3.34Å; Q281-D283 PolarHBondContact O-N 2.79Å; D283-L285 VanDerWaalsContact C-N 3.3Å; D283-L285 PolarHBondContact O-N 2.95Å; D283-L285 WeakPolarHBondContact OD1-CA 3.21Å; D283-L285 PolarHBondContact OD1-N 2.9Å; D283-W286 WeakPolarHBondContact CB-O 3.43Å; D283-W286 PolarHBondContact OD1-N 2.83Å; D283-W287 PolarHBondContact O-NE1 3.41Å
284	A	76.1	Confident	88.2	Confident	68 Å²	68	44.4 Å²	44.4	56%	0.562	24%	0.24	S	C	*	.	S	Bend	trans	-67.5	-26	-177.8	0	0	0	0	0	114.2	S304	A284-S304 WeakPolarHBondContact O-CB 3.26Å; A284-S304 PolarHBondContact O-OG 3.01Å
285	L	81.6	Confident	87.1	Confident	78 Å²	78	46.4 Å²	46.4	41%	0.408	26%	0.256	S	S	.	.	S	Bend	trans	-104.5	-34.8	-175.6	-62.6	-178	0	0	0	112.3	D283 S304 L307	D283-L285 VanDerWaalsContact C-N 3.3Å; D283-L285 PolarHBondContact O-N 2.95Å; D283-L285 WeakPolarHBondContact OD1-CA 3.21Å; D283-L285 PolarHBondContact OD1-N 2.9Å; L285-S304 WeakPolarHBondContact O-CB 3.38Å; L285-S304 PolarHBondContact O-N 3.06Å; L285-L307 HydrophobicContact CB-CD2 4.29Å; L285-L307 VanDerWaalsContact O-CD2 3.31Å; L285-L307 WeakPolarHBondContact O-CD2 3.42Å
286	W	89.1	Confident	86	Confident	12 Å²	12	47.7 Å²	47.7	5%	0.045	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	100	-170.8	-67.5	102.7	0	0	0	112.6	R181 Y253 D258 D260 I261 P262 D283 L301 V302 P303 L307	R181-W286 PolarHBondContact NH1-O 2.98Å; Y253-W286 VanDerWaalsContact OH-CH2 3.27Å; Y253-W286 WeakPolarHBondContact OH-CH2 3.32Å; Y253-W286 WeakPolarHBondContact OH-CZ3 3.19Å; D258-W286 VanDerWaalsContact OD2-CH2 3.31Å; D258-W286 WeakPolarHBondContact OD2-CH2 3.21Å; D260-W286 HydrophobicContact CB-CZ2 4.35Å; D260-W286 WeakPolarHBondContact O-CZ2 3.37Å; I261-W286 VanDerWaalsContact CA-CZ2 3.43Å; I261-W286 HydrophobicContact CB-CH2 3.65Å; I261-W286 HydrophobicContact CB-CZ2 4.02Å; I261-W286 HydrophobicContact CB-CZ3 4.21Å; I261-W286 HydrophobicContact CD1-CH2 4.38Å; I261-W286 HydrophobicContact CD1-CZ3 4.09Å; I261-W286 HydrophobicContact CG1-CE3 4.28Å; I261-W286 HydrophobicContact CG1-CH2 3.74Å; I261-W286 HydrophobicContact CG1-CZ2 4.26Å; I261-W286 HydrophobicContact CG1-CZ3 3.76Å; P262-W286 VanDerWaalsContact CD-NE1 3.34Å; P262-W286 HydrophobicContact CG-CD2 4.3Å; P262-W286 HydrophobicContact CG-CG 3.93Å; D283-W286 WeakPolarHBondContact CB-O 3.43Å; D283-W286 PolarHBondContact OD1-N 2.83Å; W286-L301 HydrophobicContact CE3-CB 4.35Å; W286-V302 CarbonylContact C-O 3.59Å; W286-P303 HydrophobicContact CE3-CG 4.47Å; W286-P303 HydrophobicContact CH2-CG 4.12Å; W286-P303 HydrophobicContact CZ3-CB 4.34Å; W286-P303 HydrophobicContact CZ3-CG 3.73Å; W286-L307 HydrophobicContact CD2-CD2 4.17Å; W286-L307 HydrophobicContact CH2-CD2 4.11Å; W286-L307 HydrophobicContact CZ2-CD2 3.55Å
287	W	92.4	Very high	85.4	Confident	38 Å²	38	50.4 Å²	50.4	14%	0.144	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	155.6	177.9	-62.9	-13	0	0	0	111.7	I278 D280 Q281 D283 L301 V302 S304 N305	I278-W287 HydrophobicContact CD1-CE3 4.25Å; I278-W287 HydrophobicContact CG1-CE3 4.44Å; I278-W287 HydrophobicContact CG2-CB 4.34Å; I278-W287 HydrophobicContact CG2-CE3 4.3Å; D280-W287 WeakPolarHBondContact O-CA 3.39Å; D280-W287 WeakPolarHBondContact O-CB 3.33Å; Q281-W287 HydrophobicContact CB-CG 4.4Å; Q281-W287 HydrophobicContact CG-CD2 4.03Å; Q281-W287 HydrophobicContact CG-CG 4.15Å; D283-W287 PolarHBondContact O-NE1 3.41Å; W287-L301 WeakPolarHBondContact O-CA 3.31Å; W287-V302 HydrophobicContact CB-CG2 3.93Å; W287-V302 PolarHBondContact N-O 2.9Å; W287-V302 PolarHBondContact O-N 2.84Å; W287-S304 VanDerWaalsContact CE2-CB 3.46Å; W287-N305 HydrophobicContact CH2-CB 3.65Å; W287-N305 HydrophobicContact CZ2-CB 4.43Å; W287-N305 HydrophobicContact CZ3-CB 4.1Å
288	Q	92.7	Very high	85.1	Confident	1 Å²	1	52.4 Å²	52.4	1%	0.005	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	129.6	166.1	-49.9	-170.7	28.5	0	0	109.7	V182 H184 V279 D280 A299 G300 L301	V182-Q288 PolarHBondContact O-NE2 3.16Å; H184-Q288 PolarHBondContact ND1-OE1 2.9Å; H184-Q288 VanDerWaalsContact ND1-OE1 3.14Å; V279-Q288 HydrophobicContact CG2-CB 3.84Å; V279-Q288 VanDerWaalsContact CG2-O 3.32Å; V279-Q288 WeakPolarHBondContact CG2-O 2.82Å; V279-Q288 PolarHBondContact N-O 3.25Å; D280-Q288 HydrophobicContact CB-CB 3.84Å; D280-Q288 HydrophobicContact CB-CG 3.94Å; D280-Q288 PolarHBondContact N-O 2.91Å; D280-Q288 PolarHBondContact O-N 2.82Å; D280-Q288 PolarHBondContact OD2-NE2 3.09Å; Q288-A299 HydrophobicContact CB-CB 4.04Å; Q288-G300 WeakPolarHBondContact CA-O 3.47Å; Q288-L301 HydrophobicContact CG-CD2 4.14Å
289	A	93.7	Very high	85.1	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	163.1	-179.6	0	0	0	0	0	111.3	L268 L276 Q277 I278 A299 G300 V302	L268-A289 HydrophobicContact CD2-CB 4.2Å; L268-A289 WeakPolarHBondContact CD2-O 3.38Å; L276-A289 HydrophobicContact CB-CB 4.36Å; Q277-A289 CarbonylContact O-C 3.41Å; Q277-A289 WeakPolarHBondContact O-CA 3.46Å; I278-A289 HydrophobicContact CD1-CB 3.6Å; A289-A299 CarbonylContact O-C 3.57Å; A289-A299 WeakPolarHBondContact O-CA 3.43Å; A289-A299 WeakPolarHBondContact O-CB 3.07Å; A289-G300 PolarHBondContact N-O 2.97Å; A289-G300 PolarHBondContact O-N 3.22Å; A289-V302 HydrophobicContact CB-CG1 4.02Å; A289-V302 HydrophobicContact CB-CG2 3.67Å
290	R	91.7	Very high	85.2	Confident	68 Å²	68	52 Å²	52	26%	0.257	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	151.6	167.9	64.2	-178.2	-176.5	-171.9	-2.3	110.2	L276 Q277	L276-R290 WeakPolarHBondContact CA-O 3.45Å; Q277-R290 HydrophobicContact CB-CG 3.91Å; Q277-R290 VanDerWaalsContact CD-NH2 3.32Å; Q277-R290 HydrophobicContact CG-CG 4.48Å; Q277-R290 PolarHBondContact N-O 2.78Å; Q277-R290 PolarHBondContact O-N 3.2Å
291	K	91.6	Very high	85.5	Confident	48 Å²	48	51.2 Å²	51.2	21%	0.209	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	138.7	172.4	-63.4	-168.4	-177.6	-164	0	109.5	L268 P269 D274 L276 S293 D294	L268-K291 HydrophobicContact CD1-CG 4.36Å; L268-K291 HydrophobicContact CD2-CG 4.33Å; P269-K291 WeakPolarHBondContact O-CE 3.45Å; P269-K291 PolarHBondContact O-NZ 3.18Å; D274-K291 WeakPolarHBondContact OD2-CE 3.44Å; D274-K291 IonicContact OD2-NZ 3.82Å; D274-K291 PolarHBondContact OD2-NZ 3.2Å; L276-K291 HydrophobicContact CD2-CG 3.87Å; K291-S293 WeakPolarHBondContact CB-OG 3.33Å; K291-S293 PolarHBondContact O-N 3.1Å; K291-D294 CarbonylContact O-C 3.54Å; K291-D294 PolarHBondContact O-N 2.7Å; K291-D294 VanDerWaalsContact O-N 3.1Å
292	I	88.9	Confident	85.9	Confident	83 Å²	83	48.4 Å²	48.4	43%	0.426	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-30.6	174.7	-67.5	-173.7	0	0	0	111.6	Y246 I275 D294	Y246-I292 HydrophobicContact CD1-CD1 3.59Å; Y246-I292 HydrophobicContact CD1-CG1 4.11Å; Y246-I292 HydrophobicContact CE1-CD1 3.82Å; Y246-I292 HydrophobicContact CE1-CG1 4.12Å; I275-I292 HydrophobicContact CB-CD1 3.83Å; I275-I292 HydrophobicContact CB-CG1 4.26Å; I275-I292 HydrophobicContact CG2-CD1 3.29Å; I275-I292 HydrophobicContact CG2-CG1 4.03Å; I275-I292 PolarHBondContact O-N 3.09Å; I275-I292 VanDerWaalsContact O-N 3.15Å; I292-D294 PolarHBondContact O-N 3.49Å
293	S	83.4	Confident	86.3	Confident	106 Å²	106	44.2 Å²	44.2	74%	0.741	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-22.3	178.2	53.9	0	0	0	0	113.7	K291	K291-S293 WeakPolarHBondContact CB-OG 3.33Å; K291-S293 PolarHBondContact O-N 3.1Å
294	D	79.7	Confident	86.6	Confident	69 Å²	69	41.9 Å²	41.9	37%	0.369	25%	0.254	S	S	.	.			trans	-133.8	80.7	179.5	-163.7	-15.7	0	0	0	111.4	K291 I292 A296 T297	K291-D294 CarbonylContact O-C 3.54Å; K291-D294 PolarHBondContact O-N 2.7Å; K291-D294 VanDerWaalsContact O-N 3.1Å; I292-D294 PolarHBondContact O-N 3.49Å; D294-A296 PolarHBondContact O-N 2.88Å; D294-A296 PolarHBondContact OD1-N 2.77Å; D294-T297 VanDerWaalsContact CG-CG2 3.46Å; D294-T297 VanDerWaalsContact CG-OG1 3.3Å; D294-T297 PolarHBondContact O-OG1 3.44Å; D294-T297 PolarHBondContact OD1-N 2.78Å; D294-T297 PolarHBondContact OD1-OG1 2.83Å; D294-T297 WeakPolarHBondContact OD2-CG2 3.46Å
295	P	70.5	Confident	86.8	Confident	83 Å²	83	42 Å²	42	54%	0.539	25%	0.246	S	C	.	.	S	Bend	trans	-75.6	-11.5	-179	30.5	-34.1	0	0	0	113.3
296	A	70.6	Confident	86.2	Confident	84 Å²	84	43.5 Å²	43.5	69%	0.694	25%	0.251	S	S	*	.	S	Bend	trans	-88.3	-23.3	-175.4	0	0	0	0	0	112.8	D294	D294-A296 PolarHBondContact O-N 2.88Å; D294-A296 PolarHBondContact OD1-N 2.77Å
297	T	81.5	Confident	85.6	Confident	63 Å²	63	43.7 Å²	43.7	39%	0.387	25%	0.252	S	S	.	.	S	Bend	trans	-71.1	149	173.8	47.3	0	0	0	0	112.3	D294	D294-T297 VanDerWaalsContact CG-CG2 3.46Å; D294-T297 VanDerWaalsContact CG-OG1 3.3Å; D294-T297 PolarHBondContact O-OG1 3.44Å; D294-T297 PolarHBondContact OD1-N 2.78Å; D294-T297 PolarHBondContact OD1-OG1 2.83Å; D294-T297 WeakPolarHBondContact OD2-CG2 3.46Å
298	C	86.6	Confident	84.9	Confident	52 Å²	52	43.4 Å²	43.4	35%	0.351	25%	0.253	S	S	.	.	P	Polyproline II helix	trans	-60.8	158.1	167.1	62.7	0	0	0	0	110	I183 H184	I183-C298 HydrophobicContact CG2-CB 4.28Å; H184-C298 WeakPolarHBondContact O-CA 3.48Å
299	A	91.3	Very high	83.8	Confident	8 Å²	8	46.3 Å²	46.3	7%	0.066	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-61.7	159.2	172.8	0	0	0	0	0	110.7	I183 H184 V279 Q288 A289	I183-A299 HydrophobicContact CG2-CB 4.38Å; I183-A299 WeakPolarHBondContact CG2-O 3.5Å; H184-A299 HydrophobicContact CB-CB 3.87Å; H184-A299 WeakPolarHBondContact O-CB 3.34Å; H184-A299 PolarHBondContact O-N 2.77Å; V279-A299 HydrophobicContact CG2-CB 3.79Å; Q288-A299 HydrophobicContact CB-CB 4.04Å; A289-A299 CarbonylContact O-C 3.57Å; A289-A299 WeakPolarHBondContact O-CA 3.43Å; A289-A299 WeakPolarHBondContact O-CB 3.07Å
300	G	92.9	Very high	82.5	Confident	7 Å²	7	53 Å²	53	7%	0.072	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	170.4	167.2	0	0	0	0	0	110.9	A266 Q288 A289	A266-G300 CarbonylContact O-C 3.57Å; A266-G300 WeakPolarHBondContact O-CA 3.47Å; Q288-G300 WeakPolarHBondContact CA-O 3.47Å; A289-G300 PolarHBondContact N-O 2.97Å; A289-G300 PolarHBondContact O-N 3.22Å
301	L	94.1	Very high	81.3	Confident	2 Å²	2	51.9 Å²	51.9	1%	0.01	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	130.1	-177	-61.2	-178.6	0	0	0	110.6	I183 I261 A266 L268 W286 W287 Q288	I183-L301 HydrophobicContact CD1-CD2 4.49Å; I261-L301 HydrophobicContact CD1-CB 4.49Å; A266-L301 HydrophobicContact CB-CD1 3.99Å; A266-L301 HydrophobicContact CB-CG 4.11Å; A266-L301 PolarHBondContact O-N 3.45Å; L268-L301 PolarHBondContact N-O 3.13Å; W286-L301 HydrophobicContact CE3-CB 4.35Å; W287-L301 WeakPolarHBondContact O-CA 3.31Å; Q288-L301 HydrophobicContact CG-CD2 4.14Å
302	V	94.1	Very high	80.1	Confident	3 Å²	3	52.1 Å²	52.1	2%	0.018	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	146.1	170.3	-61.6	0	0	0	0	109.2	L268 F270 L276 I278 W286 W287 A289 S304	L268-V302 HydrophobicContact CB-CG1 3.82Å; L268-V302 HydrophobicContact CD2-CG1 4Å; L268-V302 HydrophobicContact CG-CG1 4.28Å; F270-V302 HydrophobicContact CD1-CB 4.49Å; F270-V302 HydrophobicContact CD1-CG1 3.83Å; F270-V302 HydrophobicContact CE1-CB 3.92Å; F270-V302 HydrophobicContact CE1-CG1 3.77Å; L276-V302 HydrophobicContact CD1-CG1 4.38Å; I278-V302 HydrophobicContact CD1-CG2 4.4Å; W286-V302 CarbonylContact C-O 3.59Å; W287-V302 HydrophobicContact CB-CG2 3.93Å; W287-V302 PolarHBondContact N-O 2.9Å; W287-V302 PolarHBondContact O-N 2.84Å; A289-V302 HydrophobicContact CB-CG1 4.02Å; A289-V302 HydrophobicContact CB-CG2 3.67Å; V302-S304 PolarHBondContact O-N 3.3Å
303	P	89.8	Confident	78.8	Confident	6 Å²	6	50.9 Å²	50.9	4%	0.039	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.8	139.7	172.1	-23.9	33.3	0	0	0	110	Y253 W286 L307 L308	Y253-P303 HydrophobicContact CD1-CG 4.23Å; Y253-P303 HydrophobicContact CD2-CG 3.72Å; Y253-P303 VanDerWaalsContact CE1-CD 3.4Å; Y253-P303 HydrophobicContact CE1-CG 3.93Å; Y253-P303 HydrophobicContact CE2-CG 3.39Å; Y253-P303 HydrophobicContact CG-CG 4.13Å; W286-P303 HydrophobicContact CE3-CG 4.47Å; W286-P303 HydrophobicContact CH2-CG 4.12Å; W286-P303 HydrophobicContact CZ3-CB 4.34Å; W286-P303 HydrophobicContact CZ3-CG 3.73Å; P303-L307 HydrophobicContact CB-CB 4.18Å; P303-L307 HydrophobicContact CB-CD2 4.02Å; P303-L307 HydrophobicContact CB-CG 4.17Å; P303-L308 HydrophobicContact CB-CB 4.16Å; P303-L308 HydrophobicContact CB-CD1 4.24Å; P303-L308 HydrophobicContact CG-CD1 4.26Å
304	S	85.6	Confident	77.4	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.266	C	S	.	.			trans	-60.6	158.6	169.7	76.8	0	0	0	0	109.9	A284 L285 W287 V302 H306 L307 L308	A284-S304 WeakPolarHBondContact O-CB 3.26Å; A284-S304 PolarHBondContact O-OG 3.01Å; L285-S304 WeakPolarHBondContact O-CB 3.38Å; L285-S304 PolarHBondContact O-N 3.06Å; W287-S304 VanDerWaalsContact CE2-CB 3.46Å; V302-S304 PolarHBondContact O-N 3.3Å; S304-H306 PolarHBondContact O-N 2.87Å; S304-H306 VanDerWaalsContact O-N 3.1Å; S304-H306 PolarHBondContact OG-N 3.25Å; S304-L307 PolarHBondContact O-N 3.42Å; S304-L307 VanDerWaalsContact O-N 3.09Å; S304-L307 PolarHBondContact OG-N 2.74Å; S304-L308 WeakPolarHBondContact O-CB 3.5Å; S304-L308 PolarHBondContact O-N 2.99Å
305	N	80.7	Confident	76.1	Confident	71 Å²	71	53.1 Å²	53.1	38%	0.38	28%	0.275	S	S	.	.	H	α-helix	trans	-53.5	-35.6	176	-172.3	25	0	0	0	112	W287 K309	W287-N305 HydrophobicContact CH2-CB 3.65Å; W287-N305 HydrophobicContact CZ2-CB 4.43Å; W287-N305 HydrophobicContact CZ3-CB 4.1Å; N305-K309 PolarHBondContact ND2-NZ 3.49Å; N305-K309 WeakPolarHBondContact O-CB 3.42Å; N305-K309 WeakPolarHBondContact O-CD 3.46Å; N305-K309 WeakPolarHBondContact O-CG 3.48Å; N305-K309 PolarHBondContact O-N 3.17Å; N305-K309 VanDerWaalsContact O-N 3.11Å; N305-K309 WeakPolarHBondContact OD1-CE 3.29Å
306	H	69.9	Low	75	Confident	110 Å²	110	55.1 Å²	55.1	51%	0.509	27%	0.272	S	S	.	.	H	α-helix	trans	-68.4	-48.7	177.2	-68.3	-82.1	0	0	0	112.1	S304 K309 R310 Y406	S304-H306 PolarHBondContact O-N 2.87Å; S304-H306 VanDerWaalsContact O-N 3.1Å; S304-H306 PolarHBondContact OG-N 3.25Å; H306-K309 PolarHBondContact O-N 3.06Å; H306-R310 PolarHBondContact O-N 3.15Å; H306-Y406 AromaticContact CE1-CE1 3.96Å
307	L	75.1	Confident	73.6	Confident	15 Å²	15	57 Å²	57	8%	0.079	26%	0.261	C	S	.	.	H	α-helix	trans	-62.6	-44.6	179.3	-176	60.4	0	0	0	111.1	L285 W286 P303 S304 K309 R310 K311	L285-L307 HydrophobicContact CB-CD2 4.29Å; L285-L307 VanDerWaalsContact O-CD2 3.31Å; L285-L307 WeakPolarHBondContact O-CD2 3.42Å; W286-L307 HydrophobicContact CD2-CD2 4.17Å; W286-L307 HydrophobicContact CH2-CD2 4.11Å; W286-L307 HydrophobicContact CZ2-CD2 3.55Å; P303-L307 HydrophobicContact CB-CB 4.18Å; P303-L307 HydrophobicContact CB-CD2 4.02Å; P303-L307 HydrophobicContact CB-CG 4.17Å; S304-L307 PolarHBondContact O-N 3.42Å; S304-L307 VanDerWaalsContact O-N 3.09Å; S304-L307 PolarHBondContact OG-N 2.74Å; L307-K309 PolarHBondContact O-N 3.18Å; L307-R310 WeakPolarHBondContact O-CB 3.4Å; L307-R310 PolarHBondContact O-N 2.79Å; L307-K311 WeakPolarHBondContact O-CG 3.42Å; L307-K311 PolarHBondContact O-N 2.95Å
308	L	78.3	Confident	71.6	Confident	33 Å²	33	57.7 Å²	57.7	17%	0.173	27%	0.268	C	S	.	.	H	α-helix	trans	-61.6	-44.8	179.3	-164.8	66.2	0	0	0	112	T251 F270 P303 S304 R310 K311 Q312	T251-L308 HydrophobicContact CG2-CD1 3.94Å; T251-L308 HydrophobicContact CG2-CD2 3.62Å; T251-L308 HydrophobicContact CG2-CG 3.97Å; F270-L308 HydrophobicContact CZ-CD2 4.33Å; P303-L308 HydrophobicContact CB-CB 4.16Å; P303-L308 HydrophobicContact CB-CD1 4.24Å; P303-L308 HydrophobicContact CG-CD1 4.26Å; S304-L308 WeakPolarHBondContact O-CB 3.5Å; S304-L308 PolarHBondContact O-N 2.99Å; L308-R310 VanDerWaalsContact C-N 3.34Å; L308-R310 PolarHBondContact O-N 2.6Å; L308-K311 PolarHBondContact O-N 2.62Å; L308-Q312 WeakPolarHBondContact O-CG 3.26Å; L308-Q312 PolarHBondContact O-N 3.28Å
309	K	69.3	Low	69	Low	62 Å²	62	60.6 Å²	60.6	27%	0.27	28%	0.277	S	S	.	.	H	α-helix	trans	-63.4	-37.8	176.2	-78.5	169.9	170.1	177.9	0	112.6	N305 H306 L307 R313	N305-K309 PolarHBondContact ND2-NZ 3.49Å; N305-K309 WeakPolarHBondContact O-CB 3.42Å; N305-K309 WeakPolarHBondContact O-CD 3.46Å; N305-K309 WeakPolarHBondContact O-CG 3.48Å; N305-K309 PolarHBondContact O-N 3.17Å; N305-K309 VanDerWaalsContact O-N 3.11Å; N305-K309 WeakPolarHBondContact OD1-CE 3.29Å; H306-K309 PolarHBondContact O-N 3.06Å; L307-K309 PolarHBondContact O-N 3.18Å; K309-R313 VanDerWaalsContact O-CB 3.26Å; K309-R313 WeakPolarHBondContact O-CB 3.44Å; K309-R313 PolarHBondContact O-N 2.94Å
310	R	66.5	Low	66.1	Low	140 Å²	140	64.8 Å²	64.8	53%	0.528	30%	0.303	S	S	.	.	H	α-helix	trans	-62.8	-48.3	175.5	179.1	-179.3	171.2	172.3	-1.1	111	H306 L307 L308 R313 E314	H306-R310 PolarHBondContact O-N 3.15Å; L307-R310 WeakPolarHBondContact O-CB 3.4Å; L307-R310 PolarHBondContact O-N 2.79Å; L308-R310 VanDerWaalsContact C-N 3.34Å; L308-R310 PolarHBondContact O-N 2.6Å; R310-R313 WeakPolarHBondContact O-CB 3.43Å; R310-R313 PolarHBondContact O-N 3.14Å; R310-E314 IonicContact CZ-OE1 3.38Å; R310-E314 IonicContact NE-OE1 2.99Å; R310-E314 PolarHBondContact NE-OE1 3.22Å; R310-E314 VanDerWaalsContact NE-OE1 3.15Å; R310-E314 IonicContact NH2-OE1 2.77Å; R310-E314 PolarHBondContact O-N 2.86Å
311	K	67.1	Low	63.2	Low	44 Å²	44	74.5 Å²	74.5	19%	0.191	34%	0.339	C	S	.	.	H	α-helix	trans	-64.3	-43.1	179.2	-68	-171.7	178.2	-161.2	0	112.9	D258 D260 L307 L308 R313 E314 F315	D258-K311 IonicContact OD1-NZ 3.97Å; D258-K311 PolarHBondContact OD1-NZ 2.96Å; D258-K311 IonicContact OD2-NZ 3.66Å; D258-K311 PolarHBondContact OD2-NZ 2.87Å; D260-K311 WeakPolarHBondContact OD2-CE 3.04Å; D260-K311 IonicContact OD2-NZ 2.64Å; D260-K311 PolarHBondContact OD2-NZ 2.77Å; L307-K311 WeakPolarHBondContact O-CG 3.42Å; L307-K311 PolarHBondContact O-N 2.95Å; L308-K311 PolarHBondContact O-N 2.62Å; K311-R313 VanDerWaalsContact C-N 3.27Å; K311-R313 PolarHBondContact O-N 3.41Å; K311-E314 PolarHBondContact O-N 3.15Å; K311-F315 PolarHBondContact O-N 3.42Å
312	Q	66.2	Low	60.1	Low	53 Å²	53	82 Å²	82	25%	0.248	37%	0.374	C	S	.	.	H	α-helix	trans	-61.3	-37.3	175.3	-75.2	-172.1	-29	0	0	112.7	T251 L308 F315 W316	T251-Q312 VanDerWaalsContact CG2-NE2 3.33Å; T251-Q312 PolarHBondContact OG1-NE2 3.08Å; L308-Q312 WeakPolarHBondContact O-CG 3.26Å; L308-Q312 PolarHBondContact O-N 3.28Å; Q312-F315 PolarHBondContact O-N 2.96Å; Q312-W316 WeakPolarHBondContact O-CB 3.47Å; Q312-W316 VanDerWaalsContact O-CG 3.23Å; Q312-W316 PolarHBondContact O-N 3.34Å
313	R	60.7	Low	57	Low	57 Å²	57	86.2 Å²	86.2	22%	0.215	40%	0.402	C	S	.	.	H	α-helix	trans	-63.1	-50.2	175.4	179.9	-172.7	-55	-121.4	1.2	111	K309 R310 K311 F315 W316 W317 V409	K309-R313 VanDerWaalsContact O-CB 3.26Å; K309-R313 WeakPolarHBondContact O-CB 3.44Å; K309-R313 PolarHBondContact O-N 2.94Å; R310-R313 WeakPolarHBondContact O-CB 3.43Å; R310-R313 PolarHBondContact O-N 3.14Å; K311-R313 VanDerWaalsContact C-N 3.27Å; K311-R313 PolarHBondContact O-N 3.41Å; R313-F315 PolarHBondContact O-N 3.13Å; R313-W316 PolarHBondContact O-N 2.88Å; R313-W317 VanDerWaalsContact CG-NE1 3.29Å; R313-W317 PolarHBondContact O-N 3.38Å; R313-V409 PolarHBondContact NH2-O 3.41Å
314	E	54	Low	54	Low	95 Å²	95	95.1 Å²	95.1	44%	0.444	44%	0.442	S	S	.	.	H	α-helix	trans	-56.5	-38.9	175.7	-70.7	168.2	-170.9	0	0	111.2	R310 K311 S318	R310-E314 IonicContact CZ-OE1 3.38Å; R310-E314 IonicContact NE-OE1 2.99Å; R310-E314 PolarHBondContact NE-OE1 3.22Å; R310-E314 VanDerWaalsContact NE-OE1 3.15Å; R310-E314 IonicContact NH2-OE1 2.77Å; R310-E314 PolarHBondContact O-N 2.86Å; K311-E314 PolarHBondContact O-N 3.15Å; E314-S318 WeakPolarHBondContact O-CB 3.35Å; E314-S318 PolarHBondContact O-N 3.37Å; E314-S318 VanDerWaalsContact O-N 3.11Å; E314-S318 PolarHBondContact O-OG 3.19Å
315	F	52.6	Low	51.2	Low	127 Å²	127	101.4 Å²	101.4	56%	0.557	48%	0.481	S	S	*	.	H	α-helix	trans	-69	-44.4	174.6	-177.9	-106.1	0	0	0	113.8	K311 Q312 R313 W317 S318	K311-F315 PolarHBondContact O-N 3.42Å; Q312-F315 PolarHBondContact O-N 2.96Å; R313-F315 PolarHBondContact O-N 3.13Å; F315-W317 VanDerWaalsContact C-N 3.32Å; F315-W317 PolarHBondContact O-N 3.35Å; F315-S318 PolarHBondContact O-OG 3.15Å; F315-S318 VanDerWaalsContact O-OG 3.07Å
316	W	47.5	Very low	48.6	Very low	125 Å²	125	103.4 Å²	103.4	47%	0.473	50%	0.5	S	S	.	.	H	α-helix	trans	-66.5	-33.2	-179.2	-71.5	10.2	0	0	0	112.9	Q312 R313 P412	Q312-W316 WeakPolarHBondContact O-CB 3.47Å; Q312-W316 VanDerWaalsContact O-CG 3.23Å; Q312-W316 PolarHBondContact O-N 3.34Å; R313-W316 PolarHBondContact O-N 2.88Å; W316-P412 HydrophobicContact CH2-CB 4.01Å; W316-P412 HydrophobicContact CZ3-CB 3.71Å
317	W	43	Very low	46.8	Very low	123 Å²	123	106.1 Å²	106.1	47%	0.466	52%	0.517	S	S	.	.	H	α-helix	trans	-99.8	-8.5	-174.4	-51.7	127.3	0	0	0	114.2	R313 F315 Q319	R313-W317 VanDerWaalsContact CG-NE1 3.29Å; R313-W317 PolarHBondContact O-N 3.38Å; F315-W317 VanDerWaalsContact C-N 3.32Å; F315-W317 PolarHBondContact O-N 3.35Å; W317-Q319 VanDerWaalsContact C-N 3.33Å
318	S	37.6	Very low	44.4	Very low	78 Å²	78	115.7 Å²	115.7	55%	0.545	56%	0.558	S	S	.	*	H	α-helix	trans	-79.9	-17	167.3	50.7	0	0	0	0	112.8	E314 F315	E314-S318 WeakPolarHBondContact O-CB 3.35Å; E314-S318 PolarHBondContact O-N 3.37Å; E314-S318 VanDerWaalsContact O-N 3.11Å; E314-S318 PolarHBondContact O-OG 3.19Å; F315-S318 PolarHBondContact O-OG 3.15Å; F315-S318 VanDerWaalsContact O-OG 3.07Å
319	Q	32.3	Very low	41.9	Very low	113 Å²	113	119.2 Å²	119.2	53%	0.528	59%	0.585	S	S	.	*	S	Bend	trans	-82.6	125.3	174.1	-69.3	-83.5	-27.6	0	0	109.9	W317 Y321	W317-Q319 VanDerWaalsContact C-N 3.33Å; Q319-Y321 PolarHBondContact O-N 3.34Å
320	P	31.5	Very low	39.9	Very low	96 Å²	96	121.8 Å²	121.8	62%	0.623	61%	0.606	S	S	*	*			trans	-58.1	134.4	169.5	22.9	-29.9	0	0	0	109	Q322	P320-Q322 PolarHBondContact O-N 2.82Å
321	Y	32	Very low	37.9	Very low	212 Å²	212	123.1 Å²	123.1	83%	0.831	62%	0.623	S	S	*	*			trans	-52.5	98.2	179.2	-166.7	-91.8	0	0	0	110.1	Q319 P323	Q319-Y321 PolarHBondContact O-N 3.34Å; Y321-P323 VanDerWaalsContact O-CD 3.25Å; Y321-P323 WeakPolarHBondContact O-CD 3.04Å
322	Q	29.1	Very low	36	Very low	158 Å²	158	126 Å²	126	74%	0.738	65%	0.649	S	S	*	*			trans	-88.7	108.6	171.3	-70	-144.5	-13.3	0	0	107.8	P320 H324	P320-Q322 PolarHBondContact O-N 2.82Å; Q322-H324 PolarHBondContact O-N 2.81Å; Q322-H324 VanDerWaalsContact O-N 3.13Å
323	P	28	Very low	34	Very low	92 Å²	92	131 Å²	131	60%	0.597	68%	0.676	S	S	*	*			trans	-58.5	123.5	172.5	23.9	-31.1	0	0	0	108.1	Y321 T325	Y321-P323 VanDerWaalsContact O-CD 3.25Å; Y321-P323 WeakPolarHBondContact O-CD 3.04Å; P323-T325 PolarHBondContact O-N 2.87Å; P323-T325 PolarHBondContact O-OG1 2.87Å
324	H	27.8	Very low	32.2	Very low	193 Å²	193	133.2 Å²	133.2	89%	0.894	70%	0.7	S	S	*	*			trans	-46.9	107.1	-175.9	-61.8	-64.4	0	0	0	111.3	Q322	Q322-H324 PolarHBondContact O-N 2.81Å; Q322-H324 VanDerWaalsContact O-N 3.13Å
325	T	26.7	Very low	30.9	Very low	132 Å²	132	137.5 Å²	137.5	81%	0.81	72%	0.722	S	S	*	*			trans	-115.3	118.8	165.3	-41.7	0	0	0	0	107	P323	P323-T325 PolarHBondContact O-N 2.87Å; P323-T325 PolarHBondContact O-OG1 2.87Å
326	C	26.3	Very low	29.6	Very low	114 Å²	114	140 Å²	140	77%	0.77	74%	0.735	S	S	*	*			trans	-63.1	135.8	-178.4	-51.1	0	0	0	0	111.3
327	L	30.7	Very low	28.8	Very low	167 Å²	167	143.3 Å²	143.3	87%	0.874	76%	0.756	S	S	*	*			trans	57.3	103.2	159.5	-64.7	164.4	0	0	0	118.3
328	K	25.5	Very low	28.2	Very low	216 Å²	216	146.9 Å²	146.9	94%	0.939	78%	0.778	S	S	*	*				-175.5	158.4	111	-101.4	176.5	-177.2	-180	0	112.7
329	S	24.9	Very low	27.7	Very low	106 Å²	106	150.7 Å²	150.7	74%	0.741	79%	0.792	S	S	*	*			trans	-73.5	148.9	-159.7	-146.2	0	0	0	0	116.7
330	T	28	Very low	27.5	Very low	117 Å²	117	153.1 Å²	153.1	72%	0.718	81%	0.809	S	S	*	*			trans	52.8	120.1	144.4	-37.3	0	0	0	0	119.6
331	L	24.4	Very low	27.3	Very low	168 Å²	168	156.9 Å²	156.9	88%	0.88	82%	0.82	S	S	*	*				-160.1	128.7	126.5	-99.3	159.4	0	0	0	109.9
332	S	27.8	Very low	27.1	Very low	105 Å²	105	156.6 Å²	156.6	73%	0.734	82%	0.823	S	S	*	*			trans	-66.7	133.1	177	47.7	0	0	0	0	112.3
333	I	22.6	Very low	27.1	Very low	158 Å²	158	156.8 Å²	156.8	81%	0.81	83%	0.828	S	S	*	*			trans	-125.5	116.2	160.1	-74.3	171.4	0	0	0	106.9
334	S	23.6	Very low	27	Very low	103 Å²	103	159 Å²	159	72%	0.72	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-66.5	127.2	170.9	44.8	0	0	0	0	109.7
335	M	26.3	Very low	27.3	Very low	184 Å²	184	158.8 Å²	158.8	91%	0.906	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-91.2	119.9	164.7	-63.3	-167.2	81.9	0	0	107.6
336	E	25.6	Very low	27.3	Very low	179 Å²	179	160.9 Å²	160.9	84%	0.836	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-72.9	141.9	169	-67.2	177.2	166.4	0	0	108.7
337	E	30.5	Very low	27.3	Very low	195 Å²	195	161.5 Å²	161.5	91%	0.911	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-64.6	126.4	175.9	-64.7	169.5	159.2	0	0	109.3
338	E	30.2	Very low	27.3	Very low	198 Å²	198	159.6 Å²	159.6	93%	0.925	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-101	122.9	168.5	-84.1	-165.3	165.5	0	0	110.3
339	D	27.3	Very low	27.5	Very low	159 Å²	159	159 Å²	159	85%	0.85	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-54.6	141.3	-178.3	-86	-44.5	0	0	0	115	M341	D339-M341 PolarHBondContact O-N 2.95Å; D339-M341 VanDerWaalsContact O-N 3.15Å
340	D	28.7	Very low	27.8	Very low	163 Å²	163	157.7 Å²	157.7	87%	0.872	83%	0.827	S	S	*	*			trans	-59.5	106.5	163.6	-82.3	-34.4	0	0	0	111.4	K342	D340-K342 PolarHBondContact O-N 3.16Å
341	M	27.3	Very low	27.8	Very low	175 Å²	175	158.5 Å²	158.5	86%	0.862	83%	0.827	S	S	*	*			trans	-82.3	105.2	164.3	-72.2	-154	-39.4	0	0	111.1	D339	D339-M341 PolarHBondContact O-N 2.95Å; D339-M341 VanDerWaalsContact O-N 3.15Å
342	K	27.3	Very low	28.5	Very low	206 Å²	206	159.1 Å²	159.1	90%	0.896	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-63.2	126.9	161.1	-77.2	176.2	176	175.6	0	110.3	D340	D340-K342 PolarHBondContact O-N 3.16Å
343	I	28.7	Very low	28.7	Very low	162 Å²	162	162.8 Å²	162.8	83%	0.831	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-84.3	129.9	171.8	-61.9	173.3	0	0	0	108.8
344	D	26.6	Very low	29	Very low	140 Å²	140	160.1 Å²	160.1	75%	0.749	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-75.5	120.2	178.8	-164.2	1	0	0	0	110.7	K346	D344-K346 PolarHBondContact O-N 2.87Å
345	E	33.3	Very low	29.5	Very low	187 Å²	187	161.4 Å²	161.4	87%	0.874	82%	0.815	S	S	*	*			trans	-85.1	40.6	-169.2	-143.9	176	-153.2	0	0	112.2
346	K	26.8	Very low	29.7	Very low	177 Å²	177	160.6 Å²	160.6	77%	0.77	81%	0.809	S	S	*	*			trans	-132.4	62.1	-168.4	-140	-179.3	-166.9	178.6	0	112.6	D344	D344-K346 PolarHBondContact O-N 2.87Å
347	C	27.9	Very low	29.9	Very low	126 Å²	126	155.9 Å²	155.9	85%	0.851	80%	0.795	S	S	*	*	S	Bend	trans	-145.4	109.6	165.6	-93.1	0	0	0	0	112.7
348	V	30.6	Very low	29.9	Very low	128 Å²	128	154.3 Å²	154.3	78%	0.776	79%	0.788	S	S	*	*			trans	83.7	76.8	158.5	-155.8	0	0	0	0	117.1	A350	V348-A350 HydrophobicContact CG1-CB 3.93Å
349	E	30	Very low	30.2	Very low	204 Å²	204	149.9 Å²	149.9	95%	0.953	77%	0.768	S	S	*	*			trans	-71.7	114.6	139.6	-71.5	178.3	165.3	0	0	107.3
350	A	30.1	Very low	30.3	Very low	77 Å²	77	150 Å²	150	64%	0.636	77%	0.767	S	S	*	*			trans	-125	129.4	165.4	0	0	0	0	0	107.4	V348	V348-A350 HydrophobicContact CG1-CB 3.93Å
351	D	28.7	Very low	30.4	Very low	135 Å²	135	146.8 Å²	146.8	72%	0.722	76%	0.757	S	S	*	*			trans	-50.9	130.9	-163.3	-64.5	-45.7	0	0	0	115.4	E353	D351-E353 VanDerWaalsContact C-N 3.26Å; D351-E353 PolarHBondContact O-N 3.49Å
352	E	37.9	Very low	31.1	Very low	180 Å²	180	141.9 Å²	141.9	84%	0.841	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.2	-11.9	-174.8	-71.3	-154.4	142.9	0	0	115.2
353	E	32.6	Very low	31.3	Very low	183 Å²	183	139.8 Å²	139.8	86%	0.855	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.7	-12.6	-174.2	-68	-172.1	166.8	0	0	114.6	D351	D351-E353 VanDerWaalsContact C-N 3.26Å; D351-E353 PolarHBondContact O-N 3.49Å
354	T	30.1	Very low	31.8	Very low	101 Å²	101	140.4 Å²	140.4	62%	0.62	73%	0.728	S	S	*	*	S	Bend	trans	-87.7	-10.3	-179.1	-38.4	0	0	0	0	112.6	S357	T354-S357 PolarHBondContact O-OG 2.78Å
355	F	32.8	Very low	32.5	Very low	130 Å²	130	140.1 Å²	140.1	57%	0.57	72%	0.722	S	S	*	*	S	Bend	trans	-96.6	-12.6	-168.5	-114.2	-90.4	0	0	0	115.2	S357	F355-S357 VanDerWaalsContact C-N 3.34Å
356	E	31.6	Very low	32.9	Very low	167 Å²	167	137.8 Å²	137.8	78%	0.78	71%	0.711	S	S	*	*	S	Bend	trans	-80	-14.9	176.8	-69.3	-162.5	155.6	0	0	113.4
357	S	29.2	Very low	33.7	Very low	80 Å²	80	137.9 Å²	137.9	56%	0.559	71%	0.712	S	S	*	*	S	Bend	trans	-92.7	-11.5	-172.2	30.9	0	0	0	0	114.8	T354 F355	T354-S357 PolarHBondContact O-OG 2.78Å; F355-S357 VanDerWaalsContact C-N 3.34Å
358	E	31.1	Very low	34.2	Very low	162 Å²	162	137.3 Å²	137.3	76%	0.757	70%	0.704	S	S	*	*	S	Bend	trans	-97.1	-5.1	174.7	-72.9	-168.6	160.3	0	0	114.3	L360	E358-L360 PolarHBondContact O-N 2.96Å
359	E	35.3	Very low	34.3	Very low	106 Å²	106	133.2 Å²	133.2	50%	0.495	69%	0.688	S	S	.	*	T	Hydrogen-bonded Turn	trans	-64.4	-3.7	169.1	-82.2	-160	167.5	0	0	112.8	K467	E359-K467 IonicContact OE1-NZ 3.65Å; E359-K467 PolarHBondContact OE1-NZ 2.83Å; E359-K467 IonicContact OE2-NZ 2.89Å; E359-K467 PolarHBondContact OE2-NZ 3.04Å
360	L	29.3	Very low	34.7	Very low	160 Å²	160	134.9 Å²	134.9	84%	0.838	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.1	16.5	-174	-75.8	171.7	0	0	0	115.9	E358	E358-L360 PolarHBondContact O-N 2.96Å
361	S	31.6	Very low	35	Very low	96 Å²	96	134.4 Å²	134.4	67%	0.671	69%	0.69	S	S	*	*			trans	-119.7	25.3	174.4	70	0	0	0	0	115.1	D363	S361-D363 PolarHBondContact O-N 3.21Å
362	E	41	Very low	35.4	Very low	73 Å²	73	134.1 Å²	134.1	34%	0.341	68%	0.684	S	S	.	*			trans	-76.5	37.7	179.5	-70.1	-167.7	167.5	0	0	115.1	K364 R380	E362-K364 PolarHBondContact O-N 3.24Å; E362-K364 VanDerWaalsContact O-N 3.09Å; E362-R380 IonicContact OE2-NH2 2.6Å
363	D	33	Very low	35.6	Very low	161 Å²	161	132.2 Å²	132.2	86%	0.861	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.9	19.7	168.6	-77.7	-21	0	0	0	112.8	S361	S361-D363 PolarHBondContact O-N 3.21Å
364	K	38.1	Very low	36.3	Very low	175 Å²	175	129 Å²	129	76%	0.761	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.9	3.9	-178.6	-75.8	-172	179.1	174.9	0	115.9	E362	E362-K364 PolarHBondContact O-N 3.24Å; E362-K364 VanDerWaalsContact O-N 3.09Å
365	E	42.4	Very low	37.6	Very low	134 Å²	134	129.4 Å²	129.4	63%	0.626	65%	0.65	S	S	*	*	S	Bend	trans	-103.5	23.6	171.5	-75.2	-160.6	-176.3	0	0	114.3	R380	E365-R380 IonicContact OE1-NH2 3.45Å; E365-R380 IonicContact OE2-CZ 2.63Å; E365-R380 IonicContact OE2-NE 3.1Å; E365-R380 IonicContact OE2-NH2 3.12Å; E365-R380 PolarHBondContact OE2-NH2 3.42Å
366	E	40.1	Very low	38.7	Very low	139 Å²	139	125.8 Å²	125.8	65%	0.65	64%	0.636	S	S	*	*			trans	-110.7	94.8	159.3	-74.2	-157.9	136.4	0	0	109.3	K373	E366-K373 IonicContact OE1-NZ 2.78Å; E366-K373 PolarHBondContact OE1-NZ 3.14Å
367	F	44.4	Very low	40	Very low	179 Å²	179	118.6 Å²	118.6	79%	0.785	61%	0.605	S	S	*	*			trans	-125.5	126.3	169.7	-92.1	-84.8	0	0	0	114.3
368	V	37.4	Very low	41.2	Very low	114 Å²	114	115.4 Å²	115.4	69%	0.691	59%	0.585	S	S	*	*			trans	-87.2	106	-172.1	-179.9	0	0	0	0	108.9
369	G	32.7	Very low	42.3	Very low	42 Å²	42	109.7 Å²	109.7	43%	0.433	56%	0.557	S	S	.	*	B	Isolated β-bridge	trans	-107	113.8	159.4	0	0	0	0	0	109.3	G371	G369-G371 PolarHBondContact O-N 3.09Å
370	Y	39.9	Very low	42.9	Very low	238 Å²	238	108.5 Å²	108.5	93%	0.933	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.6	36.3	177.5	-63.4	-83.1	0	0	0	117	Q372	Y370-Q372 PolarHBondContact O-N 3.32Å
371	G	36.1	Very low	43.9	Very low	68 Å²	68	104.2 Å²	104.2	70%	0.701	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.9	7.2	167	0	0	0	0	0	116.3	G369	G369-G371 PolarHBondContact O-N 3.09Å
372	Q	36.2	Very low	44.4	Very low	129 Å²	129	100.1 Å²	100.1	60%	0.603	49%	0.493	S	S	*	.	B	Isolated β-bridge	trans	-118.3	128.2	169.2	-90.1	176.5	-33.2	0	0	109.8	Y370 F374	Y370-Q372 PolarHBondContact O-N 3.32Å; Q372-F374 HydrophobicContact CB-CD2 4.13Å; Q372-F374 HydrophobicContact CB-CE2 3.44Å; Q372-F374 VanDerWaalsContact CB-CE2 3.44Å; Q372-F374 HydrophobicContact CB-CZ 3.71Å; Q372-F374 VanDerWaalsContact O-CD2 3.25Å; Q372-F374 WeakPolarHBondContact O-CD2 3.14Å; Q372-F374 PolarHBondContact O-N 3.08Å
373	K	43	Very low	44.7	Very low	139 Å²	139	97.1 Å²	97.1	60%	0.604	48%	0.479	S	S	*	.			trans	-74.4	110.6	172.4	-68.2	-172	179.1	-166.4	0	108.2	E366 F375	E366-K373 IonicContact OE1-NZ 2.78Å; E366-K373 PolarHBondContact OE1-NZ 3.14Å; K373-F375 HydrophobicContact CB-CE2 3.93Å; K373-F375 HydrophobicContact CB-CZ 4.01Å; K373-F375 HydrophobicContact CD-CZ 4.43Å
374	F	47.6	Very low	45.4	Very low	115 Å²	115	91.5 Å²	91.5	50%	0.504	45%	0.445	S	S	.	.			trans	-102.1	133	175.5	-68.4	-81.8	0	0	0	110.3	Q372 P452	Q372-F374 HydrophobicContact CB-CD2 4.13Å; Q372-F374 HydrophobicContact CB-CE2 3.44Å; Q372-F374 VanDerWaalsContact CB-CE2 3.44Å; Q372-F374 HydrophobicContact CB-CZ 3.71Å; Q372-F374 VanDerWaalsContact O-CD2 3.25Å; Q372-F374 WeakPolarHBondContact O-CD2 3.14Å; Q372-F374 PolarHBondContact O-N 3.08Å; F374-P452 HydrophobicContact CD1-CB 4.08Å; F374-P452 HydrophobicContact CD1-CG 4.11Å; F374-P452 HydrophobicContact CE1-CB 4.38Å; F374-P452 HydrophobicContact CE1-CG 4.1Å; F374-P452 HydrophobicContact CG-CG 4.44Å; F374-P452 HydrophobicContact CZ-CG 4.4Å
375	F	56.2	Low	45.4	Very low	111 Å²	111	84.4 Å²	84.4	49%	0.487	42%	0.416	S	S	.	.			trans	-112.5	132.1	179.3	-62.6	-76.5	0	0	0	109.5	K373 R474	K373-F375 HydrophobicContact CB-CE2 3.93Å; K373-F375 HydrophobicContact CB-CZ 4.01Å; K373-F375 HydrophobicContact CD-CZ 4.43Å; F375-R474 HydrophobicContact CB-CG 4.1Å; F375-R474 VanDerWaalsContact CG-CZ 3.46Å
376	I	57.3	Low	45	Very low	54 Å²	54	78.9 Å²	78.9	28%	0.277	39%	0.392	S	S	.	.			trans	-107	102.9	-178.4	-42	-178.1	0	0	0	109	F379 I448 E449	I376-F379 HydrophobicContact CB-CD2 3.93Å; I376-F379 HydrophobicContact CB-CE2 4.22Å; I376-F379 HydrophobicContact CG2-CD2 3.25Å; I376-F379 HydrophobicContact CG2-CE2 3.1Å; I376-F379 HydrophobicContact CG2-CG 4.36Å; I376-F379 HydrophobicContact CG2-CZ 4.1Å; I376-I448 HydrophobicContact CD1-CG2 4.48Å; I376-I448 HydrophobicContact CG2-CB 4.32Å; I376-I448 HydrophobicContact CG2-CD1 4.08Å; I376-I448 HydrophobicContact CG2-CG2 3.85Å; I376-E449 HydrophobicContact CD1-CG 3.52Å
377	A	57.7	Low	45.3	Very low	16 Å²	16	74.6 Å²	74.6	13%	0.132	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	151.6	176.5	0	0	0	0	0	111.8	F379 S457 V459 R474	A377-F379 WeakPolarHBondContact O-CD2 3.35Å; A377-F379 PolarHBondContact O-N 2.86Å; A377-S457 VanDerWaalsContact O-CB 3.28Å; A377-S457 WeakPolarHBondContact O-CB 3.08Å; A377-V459 HydrophobicContact CB-CG2 3.78Å; A377-R474 WeakPolarHBondContact CB-O 3.4Å
378	G	54.9	Low	45	Very low	12 Å²	12	72.9 Å²	72.9	12%	0.124	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.8	12.8	172.2	0	0	0	0	0	116.4	R444	G378-R444 PolarHBondContact O-NH2 3.44Å
379	F	54	Low	44.8	Very low	43 Å²	43	77 Å²	77	19%	0.189	37%	0.366	C	S	.	.			trans	-102.3	-31.2	176.6	-77.2	-92	0	0	0	114.7	I376 A377 R381 N441 R444 R445 I448	I376-F379 HydrophobicContact CB-CD2 3.93Å; I376-F379 HydrophobicContact CB-CE2 4.22Å; I376-F379 HydrophobicContact CG2-CD2 3.25Å; I376-F379 HydrophobicContact CG2-CE2 3.1Å; I376-F379 HydrophobicContact CG2-CG 4.36Å; I376-F379 HydrophobicContact CG2-CZ 4.1Å; A377-F379 WeakPolarHBondContact O-CD2 3.35Å; A377-F379 PolarHBondContact O-N 2.86Å; F379-R381 PolarHBondContact O-N 2.97Å; F379-N441 WeakPolarHBondContact CE1-O 3.48Å; F379-R444 HydrophobicContact CE1-CB 4.21Å; F379-R444 HydrophobicContact CE1-CG 4.39Å; F379-R444 HydrophobicContact CZ-CB 4.01Å; F379-R444 HydrophobicContact CZ-CG 3.74Å; F379-R445 HydrophobicContact CD1-CB 4.1Å; F379-R445 HydrophobicContact CD1-CG 4.33Å; F379-R445 VanDerWaalsContact CE1-CA 3.46Å; F379-R445 HydrophobicContact CE1-CB 3.45Å; F379-R445 VanDerWaalsContact CE1-CB 3.45Å; F379-R445 HydrophobicContact CE1-CG 4.07Å; F379-R445 VanDerWaalsContact CZ-CA 3.48Å; F379-R445 HydrophobicContact CZ-CB 4.01Å; F379-I448 HydrophobicContact CE2-CD1 3.75Å; F379-I448 HydrophobicContact CZ-CD1 3.94Å
380	R	48.2	Very low	44.7	Very low	80 Å²	80	78 Å²	78	30%	0.302	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73	116.1	173.4	-74.2	-173.5	170.3	-129.3	2.6	108.2	E362 E365 Y476	E362-R380 IonicContact OE2-NH2 2.6Å; E365-R380 IonicContact OE1-NH2 3.45Å; E365-R380 IonicContact OE2-CZ 2.63Å; E365-R380 IonicContact OE2-NE 3.1Å; E365-R380 IonicContact OE2-NH2 3.12Å; E365-R380 PolarHBondContact OE2-NH2 3.42Å; R380-Y476 PolarHBondContact O-OH 3.04Å
381	R	49.6	Very low	44.3	Very low	70 Å²	70	74 Å²	74	26%	0.264	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.6	66.4	-175.4	-59.3	178.1	-176.1	-162.9	1.5	114.7	F379 L385 Y476 D565	F379-R381 PolarHBondContact O-N 2.97Å; R381-L385 HydrophobicContact CG-CD1 4.38Å; R381-Y476 PolarHBondContact O-OH 2.92Å; R381-D565 WeakPolarHBondContact CA-OD2 3.09Å; R381-D565 WeakPolarHBondContact CG-OD2 3.31Å; R381-D565 PolarHBondContact N-OD2 3Å
382	S	41.9	Very low	44	Very low	11 Å²	11	78.2 Å²	78.2	8%	0.077	36%	0.362	C	S	.	.			trans	-51.6	140.4	161.6	157	0	0	0	0	109.6	R384 L385 N441 D524	S382-R384 PolarHBondContact O-N 2.84Å; S382-L385 PolarHBondContact O-N 3.25Å; S382-N441 WeakPolarHBondContact CB-ND2 3.38Å; S382-N441 PolarHBondContact OG-ND2 2.89Å; S382-D524 PolarHBondContact OG-OD2 3.32Å
383	M	47.6	Very low	43.4	Very low	10 Å²	10	76.7 Å²	76.7	5%	0.049	37%	0.366	C	S	.	.	G	3₁₀ helix	trans	-51.3	-12.5	-178	-68.3	-60.1	-65.4	0	0	114.7	L385 C386 Y496 Y504	M383-L385 PolarHBondContact O-N 2.89Å; M383-C386 WeakPolarHBondContact O-CB 3.26Å; M383-C386 PolarHBondContact O-N 2.85Å; M383-Y496 VanDerWaalsContact CE-C 3.42Å; M383-Y504 WeakPolarHBondContact CE-O 3.36Å; M383-Y504 VanDerWaalsContact SD-C 3.57Å; M383-Y504 WeakPolarHBondContact SD-CB 3.34Å; M383-Y504 HydrophobicContact SD-CG 4.5Å
384	R	48.4	Very low	42.8	Very low	43 Å²	43	75.9 Å²	75.9	16%	0.162	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-65.1	-19.8	173.6	-63.7	-178.9	-176.1	-140.7	-9.9	114.1	S382 R387 G434 P435 D524	S382-R384 PolarHBondContact O-N 2.84Å; R384-R387 WeakPolarHBondContact O-CB 3.37Å; R384-R387 PolarHBondContact O-N 2.65Å; R384-G434 PolarHBondContact NH1-O 3.44Å; R384-G434 VanDerWaalsContact NH1-O 3.16Å; R384-G434 PolarHBondContact NH2-O 2.96Å; R384-G434 VanDerWaalsContact NH2-O 3.15Å; R384-P435 PolarHBondContact NH1-O 3.47Å; R384-D524 IonicContact NE-OD2 2.7Å
385	L	36.8	Very low	41.9	Very low	26 Å²	26	76.5 Å²	76.5	14%	0.136	38%	0.383	C	S	.	.	G	3₁₀ helix	trans	-79	-25.4	176.8	-77.5	163.9	0	0	0	113.8	R381 S382 M383 R387 Y499 D565	R381-L385 HydrophobicContact CG-CD1 4.38Å; S382-L385 PolarHBondContact O-N 3.25Å; M383-L385 PolarHBondContact O-N 2.89Å; L385-R387 PolarHBondContact O-N 3.41Å; L385-R387 VanDerWaalsContact O-N 3.14Å; L385-Y499 HydrophobicContact CB-CE2 4.39Å; L385-Y499 VanDerWaalsContact O-CE2 3.31Å; L385-Y499 WeakPolarHBondContact O-CE2 3.31Å; L385-D565 HydrophobicContact CD1-CB 3.64Å; L385-D565 WeakPolarHBondContact CD1-OD2 3.28Å
386	C	35.1	Very low	40.6	Very low	18 Å²	18	78.5 Å²	78.5	12%	0.122	39%	0.393	C	S	.	.	G	3₁₀ helix	trans	-56.1	-25.4	166.4	-51.2	0	0	0	0	111.5	M383 E498 Y499	M383-C386 WeakPolarHBondContact O-CB 3.26Å; M383-C386 PolarHBondContact O-N 2.85Å; C386-E498 VanDerWaalsContact CB-O 3.29Å; C386-E498 WeakPolarHBondContact CB-O 3.27Å; C386-Y499 VanDerWaalsContact SG-CB 3.58Å
387	R	47	Very low	39.1	Very low	48 Å²	48	80 Å²	80	18%	0.181	41%	0.413	C	S	.	.	G	3₁₀ helix	trans	-99	-9.9	-161.7	-59.5	-178.7	-174.2	138.1	5.9	115.8	R384 L385 K389 E495 E526	R384-R387 WeakPolarHBondContact O-CB 3.37Å; R384-R387 PolarHBondContact O-N 2.65Å; L385-R387 PolarHBondContact O-N 3.41Å; L385-R387 VanDerWaalsContact O-N 3.14Å; R387-K389 VanDerWaalsContact C-N 3.29Å; R387-K389 PolarHBondContact O-N 3.16Å; R387-E495 IonicContact NH2-OE2 3.66Å; R387-E526 WeakPolarHBondContact CD-OE1 3.38Å; R387-E526 IonicContact CZ-OE1 2.66Å; R387-E526 IonicContact CZ-OE2 2.86Å; R387-E526 IonicContact NE-OE1 3.79Å; R387-E526 PolarHBondContact NE-OE1 3.19Å; R387-E526 IonicContact NE-OE2 3.87Å; R387-E526 PolarHBondContact NE-OE2 3.47Å; R387-E526 IonicContact NH1-OE1 3.6Å; R387-E526 PolarHBondContact NH1-OE1 3.18Å; R387-E526 IonicContact NH2-OE1 3.63Å
388	R	36.9	Very low	37.9	Very low	144 Å²	144	84.3 Å²	84.3	54%	0.543	44%	0.443	S	S	.	.	G	3₁₀ helix	trans	-74.1	-16.4	175.5	-87.1	-171.8	176.2	-179.1	0.4	114	T564	R388-T564 VanDerWaalsContact NH1-CG2 3.28Å
389	K	33.7	Very low	36.5	Very low	200 Å²	200	87.9 Å²	87.9	87%	0.87	46%	0.462	S	S	*	.	S	Bend	trans	-109.6	-7	179.8	-71.4	-165.5	174.1	-167.1	0	114.5	R387	R387-K389 VanDerWaalsContact C-N 3.29Å; R387-K389 PolarHBondContact O-N 3.16Å
390	S	30.7	Very low	35.2	Very low	64 Å²	64	89.8 Å²	89.8	45%	0.448	48%	0.479	S	S	.	.			trans	-103.4	43.4	-171.5	67.9	0	0	0	0	113.2	L392	S390-L392 PolarHBondContact O-N 2.98Å
391	H	30.7	Very low	34.1	Very low	152 Å²	152	89 Å²	89	70%	0.704	49%	0.485	S	S	*	.	S	Bend	trans	-81.2	1.9	174.8	-90.1	-63.5	0	0	0	114.1
392	L	31.1	Very low	33.2	Very low	157 Å²	157	91.9 Å²	91.9	82%	0.822	51%	0.511	S	S	*	.			trans	-136.3	81.7	174.3	-69.3	165.6	0	0	0	109.8	S390	S390-L392 PolarHBondContact O-N 2.98Å
393	S	23.6	Very low	32.6	Very low	98 Å²	98	93.5 Å²	93.5	69%	0.685	53%	0.53	S	S	*	.			trans	-144	120	157.6	-66.8	0	0	0	0	107.6	L395	S393-L395 PolarHBondContact O-N 2.87Å
394	P	29.8	Very low	31.9	Very low	122 Å²	122	98.9 Å²	98.9	79%	0.792	57%	0.568	S	S	*	*			trans	-67.9	128.5	175.7	-2.7	16.8	0	0	0	108.9
395	L	29.8	Very low	31	Very low	128 Å²	128	100.6 Å²	100.6	67%	0.67	59%	0.586	S	S	*	*			trans	49.3	95.6	151.1	-65.7	155	0	0	0	115.3	S393 A397	S393-L395 PolarHBondContact O-N 2.87Å; L395-A397 VanDerWaalsContact C-N 3.34Å; L395-A397 PolarHBondContact O-N 3.03Å
396	H	28.7	Very low	31	Very low	153 Å²	153	105.9 Å²	105.9	71%	0.708	61%	0.605	S	S	*	*			trans	-52.6	105.5	148.7	-83.9	-91.9	0	0	0	108	S398	H396-S398 VanDerWaalsContact C-N 3.35Å; H396-S398 PolarHBondContact O-N 2.84Å
397	A	25.7	Very low	31.2	Very low	84 Å²	84	109.3 Å²	109.3	69%	0.694	63%	0.63	S	S	*	*			trans	-54.6	107.7	157.3	0	0	0	0	0	105.7	L395 V399	L395-A397 VanDerWaalsContact C-N 3.34Å; L395-A397 PolarHBondContact O-N 3.03Å; A397-V399 VanDerWaalsContact C-N 3.26Å; A397-V399 PolarHBondContact O-N 3.41Å
398	S	31.4	Very low	30.9	Very low	108 Å²	108	108 Å²	108	76%	0.755	63%	0.629	S	S	*	*			trans	-57.8	99.4	168	175.4	0	0	0	0	106.1	H396 C400	H396-S398 VanDerWaalsContact C-N 3.35Å; H396-S398 PolarHBondContact O-N 2.84Å; S398-C400 PolarHBondContact O-N 2.82Å; S398-C400 VanDerWaalsContact O-N 3.08Å
399	V	25.1	Very low	31.5	Very low	87 Å²	87	104.2 Å²	104.2	53%	0.527	62%	0.621	S	S	.	*			trans	-59.4	115.8	173.7	178.2	0	0	0	0	106	A397 C401	A397-V399 VanDerWaalsContact C-N 3.26Å; A397-V399 PolarHBondContact O-N 3.41Å; V399-C401 PolarHBondContact O-N 3.42Å
400	C	27.5	Very low	32.2	Very low	82 Å²	82	96 Å²	96	55%	0.554	59%	0.594	S	S	*	*			trans	-50	114.9	-169.2	-59.1	0	0	0	0	113.1	S398 T402 H491	S398-C400 PolarHBondContact O-N 2.82Å; S398-C400 VanDerWaalsContact O-N 3.08Å; C400-T402 PolarHBondContact O-N 3.11Å; C400-H491 PolarHBondContact O-CE1 3.06Å; C400-H491 PolarHBondContact O-NE2 3.46Å
401	C	25.3	Very low	33.3	Very low	63 Å²	63	95.4 Å²	95.4	43%	0.426	59%	0.593	S	S	.	*			trans	-76.1	99.4	164.6	-65.9	0	0	0	0	110	V399 G403 Y406	V399-C401 PolarHBondContact O-N 3.42Å; C401-G403 PolarHBondContact O-N 2.97Å; C401-G403 VanDerWaalsContact O-N 3.1Å; C401-Y406 VanDerWaalsContact O-CE2 3.23Å; C401-Y406 WeakPolarHBondContact O-CE2 3.48Å; C401-Y406 PolarHBondContact O-OH 3.47Å
402	T	29.8	Very low	35	Very low	131 Å²	131	92.1 Å²	92.1	80%	0.804	59%	0.585	S	S	*	*			trans	-77.3	90	166.8	46.1	0	0	0	0	109.6	C400	C400-T402 PolarHBondContact O-N 3.11Å
403	G	29.9	Very low	37.1	Very low	46 Å²	46	94.2 Å²	94.2	47%	0.474	58%	0.583	S	S	.	*	S	Bend	trans	173.9	97.3	175.2	0	0	0	0	0	115.5	C401 C405	C401-G403 PolarHBondContact O-N 2.97Å; C401-G403 VanDerWaalsContact O-N 3.1Å; G403-C405 PolarHBondContact O-N 3.36Å
404	S	32.3	Very low	39.9	Very low	122 Å²	122	92.8 Å²	92.8	85%	0.853	57%	0.566	S	S	*	*	S	Bend	trans	60.6	7.4	148.2	-152.2	0	0	0	0	122.8
405	C	30.8	Very low	42.6	Very low	80 Å²	80	94.5 Å²	94.5	54%	0.541	56%	0.563	S	S	.	*			trans	-111.7	7.6	178.1	-50.2	0	0	0	0	115.5	G403 S407	G403-C405 PolarHBondContact O-N 3.36Å; C405-S407 VanDerWaalsContact C-N 3.28Å; C405-S407 PolarHBondContact O-N 3.33Å
406	Y	36.5	Very low	45.6	Very low	136 Å²	136	91.5 Å²	91.5	53%	0.533	55%	0.55	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71.9	-2.3	-162.5	-80.5	-78.8	0	0	0	117.4	H306 C401	H306-Y406 AromaticContact CE1-CE1 3.96Å; C401-Y406 VanDerWaalsContact O-CE2 3.23Å; C401-Y406 WeakPolarHBondContact O-CE2 3.48Å; C401-Y406 PolarHBondContact O-OH 3.47Å
407	S	38.3	Very low	48.7	Very low	91 Å²	91	86.8 Å²	86.8	64%	0.636	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-28.2	-171.6	56.3	0	0	0	0	115.2	C405	C405-S407 VanDerWaalsContact C-N 3.28Å; C405-S407 PolarHBondContact O-N 3.33Å
408	A	41.6	Very low	52	Low	20 Å²	20	90.7 Å²	90.7	17%	0.165	53%	0.529	C	S	.	.	S	Bend	trans	-93	-26.7	-167.2	0	0	0	0	0	115.5	G410 E414	A408-G410 PolarHBondContact O-N 2.98Å; A408-E414 HydrophobicContact CB-CG 3.99Å; A408-E414 WeakPolarHBondContact CB-OE1 3.47Å
409	V	48.5	Very low	54.9	Low	64 Å²	64	87.3 Å²	87.3	39%	0.388	50%	0.5	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	16.8	-166.4	-155.2	0	0	0	0	113.3	R313	R313-V409 PolarHBondContact NH2-O 3.41Å
410	G	48	Very low	58.2	Low	28 Å²	28	88.6 Å²	88.6	29%	0.289	50%	0.5	S	S	.	.	T	Hydrogen-bonded Turn	trans	-146.1	7.3	-175.9	0	0	0	0	0	115.9	A408	A408-G410 PolarHBondContact O-N 2.98Å
411	A	55.3	Low	61.3	Low	52 Å²	52	86.1 Å²	86.1	43%	0.43	48%	0.479	S	S	.	.	S	Bend	trans	-101.1	148.2	178.8	0	0	0	0	0	110	Y413	A411-Y413 VanDerWaalsContact CB-O 3.25Å; A411-Y413 WeakPolarHBondContact CB-O 3.31Å; A411-Y413 PolarHBondContact O-N 2.68Å; A411-Y413 VanDerWaalsContact O-N 3.16Å
412	P	65.4	Low	64.4	Low	82 Å²	82	91.3 Å²	91.3	53%	0.532	49%	0.49	S	S	.	.	S	Bend	trans	-58.4	-23.6	172.6	23.1	-33.4	0	0	0	113.1	W316	W316-P412 HydrophobicContact CH2-CB 4.01Å; W316-P412 HydrophobicContact CZ3-CB 3.71Å
413	Y	76	Confident	67.1	Low	201 Å²	201	90.7 Å²	90.7	79%	0.788	49%	0.488	S	S	*	.	S	Bend	trans	-130.9	132	177.2	-58.1	-70.7	0	0	0	109.1	A411	A411-Y413 VanDerWaalsContact CB-O 3.25Å; A411-Y413 WeakPolarHBondContact CB-O 3.31Å; A411-Y413 PolarHBondContact O-N 2.68Å; A411-Y413 VanDerWaalsContact O-N 3.16Å
414	E	82.1	Confident	69.9	Low	68 Å²	68	92.2 Å²	92.2	32%	0.318	49%	0.491	S	S	.	.			trans	-92.1	127	166.2	179.4	170.2	-138	0	0	108.1	A408 V416 R534 P626	A408-E414 HydrophobicContact CB-CG 3.99Å; A408-E414 WeakPolarHBondContact CB-OE1 3.47Å; E414-V416 HydrophobicContact CG-CG1 4.5Å; E414-V416 PolarHBondContact O-N 3.03Å; E414-R534 IonicContact OE1-NH2 3.25Å; E414-R534 PolarHBondContact OE1-NH2 3.03Å; E414-R534 IonicContact OE2-CZ 2.61Å; E414-R534 IonicContact OE2-NH2 2.94Å; E414-R534 PolarHBondContact OE2-NH2 3.23Å; E414-P626 WeakPolarHBondContact OE1-CG 3.4Å
415	E	87.1	Confident	72.7	Confident	159 Å²	159	89 Å²	89	74%	0.743	46%	0.464	S	S	*	.			trans	-68.8	126	174.7	-171.9	-178.8	-171.4	0	0	109.6	A627	E415-A627 HydrophobicContact CB-CB 4.26Å; E415-A627 HydrophobicContact CG-CB 3.89Å; E415-A627 PolarHBondContact O-N 3.23Å
416	V	91.9	Very high	75.6	Confident	65 Å²	65	89.9 Å²	89.9	39%	0.394	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	147.6	-177.8	-67.1	0	0	0	0	111.4	E414 W624 V625	E414-V416 HydrophobicContact CG-CG1 4.5Å; E414-V416 PolarHBondContact O-N 3.03Å; V416-W624 HydrophobicContact CB-CB 4.36Å; V416-W624 HydrophobicContact CB-CE3 4.01Å; V416-W624 HydrophobicContact CG2-CB 4.43Å; V416-W624 HydrophobicContact CG2-CD2 4.15Å; V416-W624 HydrophobicContact CG2-CE3 3.58Å; V416-W624 HydrophobicContact CG2-CZ3 4.16Å; V416-V625 CarbonylContact C-O 3.53Å; V416-V625 WeakPolarHBondContact CA-O 3.49Å; V416-V625 WeakPolarHBondContact CB-O 3.46Å
417	V	94.2	Very high	78.4	Confident	54 Å²	54	86.2 Å²	86.2	33%	0.327	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	149.7	174.9	68.9	0	0	0	0	109.9	Y419 V625 I630	V417-Y419 PolarHBondContact O-N 3.17Å; V417-V625 HydrophobicContact CG1-CG2 3.98Å; V417-V625 PolarHBondContact N-O 3.42Å; V417-V625 PolarHBondContact O-N 2.76Å; V417-I630 HydrophobicContact CG1-CB 4.1Å; V417-I630 HydrophobicContact CG1-CG1 3.54Å
418	R	94.2	Very high	81.2	Confident	165 Å²	165	82 Å²	82	62%	0.623	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.4	110.9	176.1	-169.9	170.7	176.2	151	6.5	109.4	P622 Q623 W624	R418-P622 HydrophobicContact CG-CB 3.71Å; R418-Q623 CarbonylContact C-O 3.58Å; R418-Q623 WeakPolarHBondContact CA-O 3.35Å; R418-W624 HydrophobicContact CB-CE3 4.39Å; R418-W624 HydrophobicContact CB-CZ3 4.26Å
419	Y	93.3	Very high	83.8	Confident	38 Å²	38	81.1 Å²	81.1	15%	0.149	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	132.6	178.6	170.5	-106.9	0	0	0	111	V417 R421 R428 K539 P622 Q623 V625 I630	V417-Y419 PolarHBondContact O-N 3.17Å; Y419-R421 HydrophobicContact CE1-CB 4.2Å; Y419-R428 HydrophobicContact CE1-CG 4.29Å; Y419-K539 HydrophobicContact CD1-CD 4.37Å; Y419-K539 HydrophobicContact CE1-CD 3.81Å; Y419-K539 HydrophobicContact CE2-CD 4.25Å; Y419-P622 CarbonylContact O-C 3.48Å; Y419-P622 WeakPolarHBondContact O-CA 3.21Å; Y419-Q623 PolarHBondContact N-O 3.23Å; Y419-Q623 PolarHBondContact O-N 2.87Å; Y419-V625 HydrophobicContact CD1-CG1 4.15Å; Y419-V625 HydrophobicContact CG-CG1 4.44Å; Y419-V625 HydrophobicContact CG-CG2 4.18Å; Y419-I630 HydrophobicContact CD2-CD1 3.43Å; Y419-I630 VanDerWaalsContact CD2-CD1 3.43Å; Y419-I630 HydrophobicContact CE2-CD1 4Å; Y419-I630 HydrophobicContact CG-CD1 3.98Å
420	Q	94.1	Very high	86.1	Confident	113 Å²	113	78 Å²	78	53%	0.528	39%	0.389	S	S	.	.			trans	-124.7	121.5	169.9	-173	176.1	10.3	0	0	108.5	R422 E620 P622	Q420-R422 PolarHBondContact O-N 3.03Å; Q420-E620 PolarHBondContact NE2-O 3.15Å; Q420-P622 HydrophobicContact CB-CB 4.2Å; Q420-P622 HydrophobicContact CB-CG 4.15Å; Q420-P622 HydrophobicContact CG-CG 4.2Å
421	R	92.1	Very high	88.4	Confident	30 Å²	30	76.7 Å²	76.7	11%	0.113	38%	0.375	C	S	.	.			trans	-62.4	129.7	177.6	-172.5	-161.3	68.9	89.7	-1	109.4	Y419 P423 D425 K426 Q619	Y419-R421 HydrophobicContact CE1-CB 4.2Å; R421-P423 PolarHBondContact NH1-O 3.15Å; R421-D425 HydrophobicContact CG-CB 4.07Å; R421-D425 PolarHBondContact NH1-O 3.38Å; R421-K426 WeakPolarHBondContact CD-O 3.22Å; R421-Q619 PolarHBondContact NE-O 3.45Å
422	R	90.3	Very high	90.3	Very high	173 Å²	173	74.2 Å²	74.2	65%	0.653	35%	0.354	S	S	*	.			trans	-78.1	148.7	171.6	-57.3	177	177.6	173.5	1.4	109.4	Q420 S424 D425	Q420-R422 PolarHBondContact O-N 3.03Å; R422-S424 PolarHBondContact O-N 3.48Å; R422-D425 VanDerWaalsContact CB-OD2 3.31Å; R422-D425 WeakPolarHBondContact CB-OD2 3.31Å; R422-D425 PolarHBondContact N-OD2 2.85Å; R422-D425 VanDerWaalsContact N-OD2 3.16Å; R422-D425 WeakPolarHBondContact O-CB 3.27Å; R422-D425 PolarHBondContact O-N 3.19Å
423	P	88.1	Confident	91.6	Very high	118 Å²	118	70.3 Å²	70.3	77%	0.766	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-30.3	177.9	-28	35.7	0	0	0	114.2	R421 D425	R421-P423 PolarHBondContact NH1-O 3.15Å; P423-D425 VanDerWaalsContact C-N 3.32Å
424	S	88.4	Confident	92.3	Very high	77 Å²	77	61 Å²	61	54%	0.538	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-19.2	176.2	52.5	0	0	0	0	114.8	R422 R518	R422-S424 PolarHBondContact O-N 3.48Å; S424-R518 VanDerWaalsContact O-CZ 3.27Å; S424-R518 PolarHBondContact O-NH1 3.12Å; S424-R518 PolarHBondContact O-NH2 2.92Å
425	D	90.1	Very high	92.6	Very high	56 Å²	56	57.9 Å²	57.9	30%	0.299	28%	0.28	S	S	.	.	S	Bend	trans	-87.9	158.4	-172.6	-54.4	-15.4	0	0	0	110.3	R421 R422 P423 R518	R421-D425 HydrophobicContact CG-CB 4.07Å; R421-D425 PolarHBondContact NH1-O 3.38Å; R422-D425 VanDerWaalsContact CB-OD2 3.31Å; R422-D425 WeakPolarHBondContact CB-OD2 3.31Å; R422-D425 PolarHBondContact N-OD2 2.85Å; R422-D425 VanDerWaalsContact N-OD2 3.16Å; R422-D425 WeakPolarHBondContact O-CB 3.27Å; R422-D425 PolarHBondContact O-N 3.19Å; P423-D425 VanDerWaalsContact C-N 3.32Å; D425-R518 PolarHBondContact O-NH1 3.44Å
426	K	92.7	Very high	92.2	Very high	98 Å²	98	53.1 Å²	53.1	43%	0.426	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-60	150.2	174.6	-59.1	-177.4	-166.8	178.6	0	109.8	R421 L515 D516	R421-K426 WeakPolarHBondContact CD-O 3.22Å; K426-L515 HydrophobicContact CD-CB 4.37Å; K426-D516 WeakPolarHBondContact CD-OD1 3.24Å; K426-D516 WeakPolarHBondContact CE-OD1 3.49Å; K426-D516 IonicContact NZ-OD1 2.9Å; K426-D516 PolarHBondContact NZ-OD1 3.36Å
427	Y	95.7	Very high	91.6	Very high	58 Å²	58	51.5 Å²	51.5	23%	0.227	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-64	149.5	173.8	-72.7	-67.2	0	0	0	110.4	L515 R518 I520 Q619	Y427-L515 WeakPolarHBondContact O-CD2 3.31Å; Y427-R518 VanDerWaalsContact CE2-O 3.23Å; Y427-R518 WeakPolarHBondContact CE2-O 3.28Å; Y427-I520 HydrophobicContact CD1-CD1 4.23Å; Y427-I520 HydrophobicContact CD1-CG1 3.74Å; Y427-I520 HydrophobicContact CD2-CG1 3.81Å; Y427-I520 HydrophobicContact CE1-CD1 4.31Å; Y427-I520 HydrophobicContact CE1-CG1 4.15Å; Y427-I520 HydrophobicContact CE2-CG1 4.21Å; Y427-I520 HydrophobicContact CG-CG1 3.55Å; Y427-Q619 HydrophobicContact CD1-CB 4.3Å; Y427-Q619 HydrophobicContact CD1-CG 4.11Å
428	R	95.7	Very high	91.2	Very high	4 Å²	4	49 Å²	49	2%	0.015	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-71.1	145.6	170.7	-63.7	175.7	66.6	-172.2	-0.8	109.8	Y419 K539 P540 A618 Q619	Y419-R428 HydrophobicContact CE1-CG 4.29Å; R428-K539 WeakPolarHBondContact CB-O 3.33Å; R428-K539 HydrophobicContact CG-CB 4.34Å; R428-K539 PolarHBondContact NE-O 2.81Å; R428-K539 PolarHBondContact NH2-O 3.16Å; R428-P540 PolarHBondContact NH2-O 3.49Å; R428-A618 WeakPolarHBondContact CD-O 3.5Å; R428-A618 PolarHBondContact NH1-O 3.36Å; R428-Q619 PolarHBondContact O-NE2 3.14Å
429	L	96.5	Very high	90.8	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-64	132.2	171.8	175	63	0	0	0	110.4	V431 V511 C521 M523 V533 L538 P540 Y541	L429-V431 HydrophobicContact CD2-CG2 3.87Å; L429-V431 HydrophobicContact CG-CG2 3.9Å; L429-V511 HydrophobicContact CD1-CG1 3.89Å; L429-V511 HydrophobicContact CD2-CG1 4.29Å; L429-C521 HydrophobicContact CD1-CB 3.82Å; L429-M523 HydrophobicContact CD1-CB 4.25Å; L429-V533 HydrophobicContact CD2-CB 4.47Å; L429-L538 HydrophobicContact CB-CB 4.3Å; L429-L538 HydrophobicContact CD2-CB 4.31Å; L429-L538 HydrophobicContact CD2-CD1 3.94Å; L429-L538 HydrophobicContact CD2-CG 4.49Å; L429-L538 PolarHBondContact N-O 3.31Å; L429-L538 VanDerWaalsContact N-O 3.15Å; L429-P540 HydrophobicContact CB-CB 4.49Å; L429-P540 HydrophobicContact CD2-CB 4.46Å; L429-P540 CarbonylContact O-C 3.57Å; L429-P540 WeakPolarHBondContact O-CA 3.17Å; L429-Y541 PolarHBondContact O-N 2.99Å
430	I	97.8	Very high	90.6	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	118.2	171.1	-58.4	-57.5	0	0	0	108.8	L432 I520 C521 V522 M523 I543 I615 A618	I430-L432 HydrophobicContact CG2-CD2 4.01Å; I430-I520 HydrophobicContact CB-CG2 4.49Å; I430-I520 HydrophobicContact CG1-CG2 3.57Å; I430-C521 PolarHBondContact N-O 3.24Å; I430-V522 HydrophobicContact CB-CG1 4.48Å; I430-V522 HydrophobicContact CB-CG2 4.36Å; I430-V522 HydrophobicContact CG2-CG1 4.23Å; I430-V522 WeakPolarHBondContact O-CA 3.36Å; I430-M523 PolarHBondContact O-N 3.33Å; I430-I543 HydrophobicContact CG2-CD1 4.02Å; I430-I615 HydrophobicContact CD1-CB 4.47Å; I430-I615 HydrophobicContact CD1-CG1 4.12Å; I430-I615 HydrophobicContact CD1-CG2 4.09Å; I430-I615 HydrophobicContact CG1-CD1 4.48Å; I430-I615 HydrophobicContact CG1-CG1 4.04Å; I430-I615 HydrophobicContact CG1-CG2 4.02Å; I430-I615 HydrophobicContact CG2-CD1 4.11Å; I430-I615 HydrophobicContact CG2-CG1 3.95Å; I430-A618 HydrophobicContact CD1-CB 4.07Å
431	V	96.1	Very high	90.1	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	124.8	178.7	178.8	0	0	0	0	109.3	L429 M433 M523 L525 V533 P540 Y541 V542 I543	L429-V431 HydrophobicContact CD2-CG2 3.87Å; L429-V431 HydrophobicContact CG-CG2 3.9Å; V431-M433 HydrophobicContact CG1-CE 3.88Å; V431-M523 CarbonylContact C-O 3.51Å; V431-M523 WeakPolarHBondContact CA-O 3.41Å; V431-L525 HydrophobicContact CG1-CB 3.62Å; V431-L525 HydrophobicContact CG1-CD2 4Å; V431-L525 HydrophobicContact CG1-CG 4.49Å; V431-V533 HydrophobicContact CG2-CG2 4.44Å; V431-P540 HydrophobicContact CG2-CB 3.92Å; V431-Y541 PolarHBondContact N-O 3.35Å; V431-V542 HydrophobicContact CB-CG2 4.34Å; V431-I543 PolarHBondContact O-N 3.34Å
432	L	95.5	Very high	89.7	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	125.4	175	-54	-175.4	0	0	0	110	I430 V440 R444 V522 M523 D524 L525 I543 I545 L611	I430-L432 HydrophobicContact CG2-CD2 4.01Å; L432-V440 HydrophobicContact CB-CG1 3.71Å; L432-V440 HydrophobicContact CD1-CG1 4.38Å; L432-R444 HydrophobicContact CD1-CB 3.98Å; L432-R444 HydrophobicContact CD1-CG 4.38Å; L432-V522 HydrophobicContact CD1-CG1 3.82Å; L432-V522 HydrophobicContact CG-CG1 4.01Å; L432-M523 PolarHBondContact N-O 3.2Å; L432-D524 WeakPolarHBondContact O-CA 3.25Å; L432-L525 PolarHBondContact O-N 3Å; L432-I543 HydrophobicContact CD2-CB 4.01Å; L432-I543 HydrophobicContact CD2-CD1 4.3Å; L432-I545 HydrophobicContact CB-CD1 4.29Å; L432-I545 HydrophobicContact CD1-CD1 4.46Å; L432-I545 HydrophobicContact CD2-CD1 4.44Å; L432-L611 HydrophobicContact CD1-CD2 4.42Å; L432-L611 HydrophobicContact CD2-CD1 3.74Å
433	M	92.3	Very high	89.7	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	152.1	175.4	-94.5	-179.5	-79.5	0	0	110.6	V431 L525 P527 I530 V542 I543 F544 I545 F595	V431-M433 HydrophobicContact CG1-CE 3.88Å; M433-L525 WeakPolarHBondContact CG-O 3.19Å; M433-P527 HydrophobicContact SD-CB 4.35Å; M433-P527 HydrophobicContact SD-CG 4.33Å; M433-I530 HydrophobicContact CE-CB 4.45Å; M433-I530 HydrophobicContact CE-CD1 3.28Å; M433-I530 HydrophobicContact CE-CG1 3.81Å; M433-I530 HydrophobicContact SD-CD1 4.11Å; M433-V542 HydrophobicContact CE-CB 4.42Å; M433-V542 HydrophobicContact CE-CG1 3.17Å; M433-V542 HydrophobicContact CE-CG2 4.45Å; M433-I543 PolarHBondContact N-O 2.77Å; M433-F544 HydrophobicContact CB-CD2 4.32Å; M433-F544 CarbonylContact O-C 3.42Å; M433-F544 WeakPolarHBondContact O-CA 3.43Å; M433-I545 PolarHBondContact O-N 2.99Å; M433-F595 HydrophobicContact CE-CE1 4.21Å; M433-F595 HydrophobicContact SD-CE1 4.23Å
434	G	90.4	Very high	89.7	Confident	4 Å²	4	24 Å²	24	4%	0.041	14%	0.142	C	C	.	.			trans	164.2	155.6	178.5	0	0	0	0	0	111.4	R384 I545	R384-G434 PolarHBondContact NH1-O 3.44Å; R384-G434 VanDerWaalsContact NH1-O 3.16Å; R384-G434 PolarHBondContact NH2-O 2.96Å; R384-G434 VanDerWaalsContact NH2-O 3.15Å; G434-I545 WeakPolarHBondContact CA-O 3.49Å
435	P	87.5	Confident	89.6	Confident	4 Å²	4	24 Å²	24	3%	0.026	13%	0.13	C	C	.	.			trans	-61.5	162.2	-174.8	25.3	-32.8	0	0	0	111.9	R384 V438 I545 M580 L583 A584 M587	R384-P435 PolarHBondContact NH1-O 3.47Å; P435-V438 HydrophobicContact CG-CB 3.99Å; P435-V438 HydrophobicContact CG-CG1 4.46Å; P435-V438 HydrophobicContact CG-CG2 4.29Å; P435-V438 WeakPolarHBondContact O-CB 3.46Å; P435-V438 WeakPolarHBondContact O-CG1 3.32Å; P435-V438 PolarHBondContact O-N 2.91Å; P435-I545 WeakPolarHBondContact CD-O 2.99Å; P435-M580 HydrophobicContact CB-CG 4.12Å; P435-M580 HydrophobicContact CG-CG 3.86Å; P435-L583 HydrophobicContact CB-CB 3.74Å; P435-A584 HydrophobicContact CG-CB 3.98Å; P435-M587 HydrophobicContact CB-SD 4.15Å
436	S	80.6	Confident	89.5	Confident	58 Å²	58	23.8 Å²	23.8	41%	0.406	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	141.8	177	-165.8	0	0	0	0	110.5	V438 M580	S436-V438 PolarHBondContact O-N 3.44Å; S436-M580 WeakPolarHBondContact O-CE 3.35Å
437	G	78.2	Confident	89.4	Confident	32 Å²	32	19.1 Å²	19.1	33%	0.33	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	75	-6.4	-178.1	0	0	0	0	0	115.8	G439 R557	G437-G439 PolarHBondContact O-N 3.28Å; G437-R557 PolarHBondContact O-NH1 2.72Å
438	V	85.8	Confident	89.1	Confident	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.098	C	C	.	.	S	Bend	trans	-67.6	-21.8	-177.4	80.3	0	0	0	0	113.7	P435 S436 V440 I545 P547 R557 M580 N601	P435-V438 HydrophobicContact CG-CB 3.99Å; P435-V438 HydrophobicContact CG-CG1 4.46Å; P435-V438 HydrophobicContact CG-CG2 4.29Å; P435-V438 WeakPolarHBondContact O-CB 3.46Å; P435-V438 WeakPolarHBondContact O-CG1 3.32Å; P435-V438 PolarHBondContact O-N 2.91Å; S436-V438 PolarHBondContact O-N 3.44Å; V438-V440 HydrophobicContact CG1-CG2 3.57Å; V438-I545 HydrophobicContact CG1-CB 4.31Å; V438-I545 HydrophobicContact CG1-CG2 3.89Å; V438-I545 HydrophobicContact CG2-CG2 4.05Å; V438-P547 HydrophobicContact CG2-CB 4.32Å; V438-R557 PolarHBondContact O-NH2 3.38Å; V438-M580 HydrophobicContact CB-SD 4.15Å; V438-M580 HydrophobicContact CG2-SD 4.35Å; V438-N601 PolarHBondContact O-ND2 3.09Å
439	G	86.4	Confident	88.6	Confident	18 Å²	18	21.2 Å²	21.2	19%	0.186	12%	0.119	C	C	.	.	S	Bend	trans	109.8	13.8	178.8	0	0	0	0	0	115.6	G437 N441 E442 L443	G437-G439 PolarHBondContact O-N 3.28Å; G439-N441 PolarHBondContact O-N 3.27Å; G439-E442 PolarHBondContact O-N 3.04Å; G439-L443 WeakPolarHBondContact O-CG 3.38Å; G439-L443 PolarHBondContact O-N 3.19Å
440	V	88.3	Confident	88.3	Confident	1 Å²	1	28.4 Å²	28.4	1%	0.006	15%	0.15	C	C	.	.	H	α-helix	trans	-52.9	-50.2	178.3	170.5	0	0	0	0	112.3	L432 V438 E442 L443 R444 D524 I545	L432-V440 HydrophobicContact CB-CG1 3.71Å; L432-V440 HydrophobicContact CD1-CG1 4.38Å; V438-V440 HydrophobicContact CG1-CG2 3.57Å; V440-E442 VanDerWaalsContact C-N 3.32Å; V440-E442 PolarHBondContact O-N 3.41Å; V440-L443 PolarHBondContact O-N 2.97Å; V440-R444 WeakPolarHBondContact O-CB 3.48Å; V440-R444 PolarHBondContact O-N 3.43Å; V440-D524 HydrophobicContact CG1-CB 3.91Å; V440-I545 HydrophobicContact CB-CD1 4.29Å; V440-I545 HydrophobicContact CG1-CD1 4.49Å; V440-I545 HydrophobicContact CG2-CB 4.07Å; V440-I545 HydrophobicContact CG2-CD1 3.72Å; V440-I545 HydrophobicContact CG2-CG1 4.45Å
441	N	84.2	Confident	87.9	Confident	50 Å²	50	30.7 Å²	30.7	27%	0.267	16%	0.162	S	C	.	.	H	α-helix	trans	-64	-40.4	-178.8	-69.3	-7.5	0	0	0	111.4	F379 S382 G439 R444 R445	F379-N441 WeakPolarHBondContact CE1-O 3.48Å; S382-N441 WeakPolarHBondContact CB-ND2 3.38Å; S382-N441 PolarHBondContact OG-ND2 2.89Å; G439-N441 PolarHBondContact O-N 3.27Å; N441-R444 PolarHBondContact O-N 3.38Å; N441-R445 WeakPolarHBondContact O-CB 3.41Å; N441-R445 PolarHBondContact O-N 3.32Å
442	E	84.1	Confident	87.6	Confident	36 Å²	36	32.8 Å²	32.8	17%	0.168	18%	0.176	C	C	.	.	H	α-helix	trans	-67.1	-41.3	179.8	-179.2	55.4	-161.6	0	0	111.8	G439 V440 R445 Q446 L604	G439-E442 PolarHBondContact O-N 3.04Å; V440-E442 VanDerWaalsContact C-N 3.32Å; V440-E442 PolarHBondContact O-N 3.41Å; E442-R445 WeakPolarHBondContact O-CB 3.23Å; E442-R445 PolarHBondContact O-N 3.47Å; E442-R445 IonicContact OE1-CZ 3.99Å; E442-R445 IonicContact OE1-NE 3.99Å; E442-R445 IonicContact OE1-NH2 2.76Å; E442-R445 PolarHBondContact OE1-NH2 3.26Å; E442-R445 IonicContact OE2-CZ 2.85Å; E442-R445 IonicContact OE2-NE 2.78Å; E442-R445 PolarHBondContact OE2-NE 2.88Å; E442-R445 IonicContact OE2-NH2 2.82Å; E442-R445 PolarHBondContact OE2-NH2 2.78Å; E442-Q446 WeakPolarHBondContact O-CG 3.38Å; E442-Q446 PolarHBondContact O-N 3.46Å; E442-Q446 PolarHBondContact OE1-NE2 2.9Å; E442-L604 HydrophobicContact CB-CD2 4.31Å; E442-L604 HydrophobicContact CG-CD1 3.73Å; E442-L604 HydrophobicContact CG-CD2 3.91Å; E442-L604 HydrophobicContact CG-CG 4.45Å
443	L	89.1	Confident	87.4	Confident	1 Å²	1	37.2 Å²	37.2	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-62.9	-43.2	173.8	-72.5	169.6	0	0	0	111.8	G439 V440 R445 L447 I545 L604 A607 C608 L611	G439-L443 WeakPolarHBondContact O-CG 3.38Å; G439-L443 PolarHBondContact O-N 3.19Å; V440-L443 PolarHBondContact O-N 2.97Å; L443-R445 VanDerWaalsContact C-N 3.32Å; L443-R445 PolarHBondContact O-N 2.85Å; L443-L447 VanDerWaalsContact O-CB 3.27Å; L443-L447 WeakPolarHBondContact O-CB 3.23Å; L443-L447 PolarHBondContact O-N 2.74Å; L443-I545 HydrophobicContact CD1-CD1 3.69Å; L443-I545 HydrophobicContact CD1-CG1 4.28Å; L443-I545 HydrophobicContact CD1-CG2 4.05Å; L443-L604 HydrophobicContact CD2-CD2 4.27Å; L443-L604 HydrophobicContact CG-CD2 4.25Å; L443-A607 HydrophobicContact CD1-CB 4.16Å; L443-A607 HydrophobicContact CD2-CB 3.84Å; L443-C608 HydrophobicContact CD2-CB 3.95Å; L443-L611 HydrophobicContact CB-CD2 4.05Å
444	R	89.4	Confident	87.4	Confident	8 Å²	8	40.9 Å²	40.9	3%	0.03	22%	0.221	C	C	.	.	H	α-helix	trans	-60.6	-42.6	174.6	-167.7	-177.9	60.3	174	-8.1	111.5	G378 F379 L432 V440 N441 L447 I448 V522 D524	G378-R444 PolarHBondContact O-NH2 3.44Å; F379-R444 HydrophobicContact CE1-CB 4.21Å; F379-R444 HydrophobicContact CE1-CG 4.39Å; F379-R444 HydrophobicContact CZ-CB 4.01Å; F379-R444 HydrophobicContact CZ-CG 3.74Å; L432-R444 HydrophobicContact CD1-CB 3.98Å; L432-R444 HydrophobicContact CD1-CG 4.38Å; V440-R444 WeakPolarHBondContact O-CB 3.48Å; V440-R444 PolarHBondContact O-N 3.43Å; N441-R444 PolarHBondContact O-N 3.38Å; R444-L447 PolarHBondContact O-N 2.85Å; R444-I448 HydrophobicContact CG-CD1 4.15Å; R444-I448 WeakPolarHBondContact O-CG1 3.4Å; R444-I448 PolarHBondContact O-N 2.92Å; R444-V522 HydrophobicContact CG-CB 4.31Å; R444-V522 HydrophobicContact CG-CG1 3.83Å; R444-D524 IonicContact CZ-OD1 3.68Å; R444-D524 VanDerWaalsContact CZ-OD1 3.25Å; R444-D524 IonicContact NH1-OD1 3.51Å; R444-D524 PolarHBondContact NH1-OD1 3.43Å; R444-D524 IonicContact NH2-OD1 2.64Å
445	R	85.4	Confident	87.6	Confident	77 Å²	77	41 Å²	41	29%	0.291	22%	0.221	S	C	.	.	H	α-helix	trans	-61.8	-55.1	179.3	-168.6	-174.6	66.1	78.1	7.4	110.6	F379 N441 E442 L443 L447 I448 E449	F379-R445 HydrophobicContact CD1-CB 4.1Å; F379-R445 HydrophobicContact CD1-CG 4.33Å; F379-R445 VanDerWaalsContact CE1-CA 3.46Å; F379-R445 HydrophobicContact CE1-CB 3.45Å; F379-R445 VanDerWaalsContact CE1-CB 3.45Å; F379-R445 HydrophobicContact CE1-CG 4.07Å; F379-R445 VanDerWaalsContact CZ-CA 3.48Å; F379-R445 HydrophobicContact CZ-CB 4.01Å; N441-R445 WeakPolarHBondContact O-CB 3.41Å; N441-R445 PolarHBondContact O-N 3.32Å; E442-R445 WeakPolarHBondContact O-CB 3.23Å; E442-R445 PolarHBondContact O-N 3.47Å; E442-R445 IonicContact OE1-CZ 3.99Å; E442-R445 IonicContact OE1-NE 3.99Å; E442-R445 IonicContact OE1-NH2 2.76Å; E442-R445 PolarHBondContact OE1-NH2 3.26Å; E442-R445 IonicContact OE2-CZ 2.85Å; E442-R445 IonicContact OE2-NE 2.78Å; E442-R445 PolarHBondContact OE2-NE 2.88Å; E442-R445 IonicContact OE2-NH2 2.82Å; E442-R445 PolarHBondContact OE2-NH2 2.78Å; L443-R445 VanDerWaalsContact C-N 3.32Å; L443-R445 PolarHBondContact O-N 2.85Å; R445-L447 PolarHBondContact O-N 3.29Å; R445-I448 PolarHBondContact O-N 2.79Å; R445-E449 WeakPolarHBondContact CG-OE1 3.47Å; R445-E449 IonicContact CZ-OE1 2.84Å; R445-E449 IonicContact CZ-OE2 3.35Å; R445-E449 IonicContact NH1-OE1 3.67Å; R445-E449 PolarHBondContact NH1-OE1 3.45Å; R445-E449 IonicContact NH1-OE2 2.67Å; R445-E449 PolarHBondContact NH1-OE2 3.39Å; R445-E449 WeakPolarHBondContact O-CG 3.4Å; R445-E449 PolarHBondContact O-N 3.35Å
446	Q	87.6	Confident	87.9	Confident	50 Å²	50	43 Å²	43	23%	0.234	23%	0.23	C	C	.	.	H	α-helix	trans	-58.8	-37.6	179.9	-71.2	-174.9	11	0	0	112.1	E442 F450	E442-Q446 WeakPolarHBondContact O-CG 3.38Å; E442-Q446 PolarHBondContact O-N 3.46Å; E442-Q446 PolarHBondContact OE1-NE2 2.9Å; Q446-F450 WeakPolarHBondContact O-CB 3.47Å; Q446-F450 PolarHBondContact O-N 3.27Å
447	L	90.9	Very high	88.4	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-62.9	-45.9	177.5	179.7	66.8	0	0	0	112.5	L443 R444 R445 N451 F455 V522 L611 L612 I615	L443-L447 VanDerWaalsContact O-CB 3.27Å; L443-L447 WeakPolarHBondContact O-CB 3.23Å; L443-L447 PolarHBondContact O-N 2.74Å; R444-L447 PolarHBondContact O-N 2.85Å; R445-L447 PolarHBondContact O-N 3.29Å; L447-N451 PolarHBondContact O-N 3.25Å; L447-F455 HydrophobicContact CD1-CD1 4.37Å; L447-F455 HydrophobicContact CD1-CD2 3.93Å; L447-F455 HydrophobicContact CD1-CE1 4.11Å; L447-F455 HydrophobicContact CD1-CE2 3.64Å; L447-F455 HydrophobicContact CD1-CG 4.3Å; L447-F455 HydrophobicContact CD1-CZ 3.74Å; L447-F455 HydrophobicContact CD2-CD1 4.1Å; L447-F455 HydrophobicContact CD2-CE1 4.32Å; L447-F455 HydrophobicContact CD2-CG 4.35Å; L447-F455 HydrophobicContact CG-CD1 4.13Å; L447-F455 HydrophobicContact CG-CD2 3.95Å; L447-F455 HydrophobicContact CG-CE1 4.35Å; L447-F455 HydrophobicContact CG-CE2 4.18Å; L447-F455 HydrophobicContact CG-CG 3.94Å; L447-F455 HydrophobicContact CG-CZ 4.37Å; L447-F455 WeakPolarHBondContact O-CD2 3.42Å; L447-V522 HydrophobicContact CD2-CG1 4.24Å; L447-V522 HydrophobicContact CD2-CG2 3.86Å; L447-L611 HydrophobicContact CD2-CD2 4.15Å; L447-L611 HydrophobicContact CD2-CG 4.48Å; L447-L612 HydrophobicContact CD1-CD2 3.32Å; L447-L612 HydrophobicContact CD1-CG 3.89Å; L447-I615 HydrophobicContact CD1-CD1 4.26Å; L447-I615 HydrophobicContact CD2-CD1 3.4Å; L447-I615 VanDerWaalsContact CD2-CD1 3.4Å; L447-I615 HydrophobicContact CG-CD1 4.48Å
448	I	89.4	Confident	89.1	Confident	9 Å²	9	39.3 Å²	39.3	5%	0.046	20%	0.199	C	C	.	.	H	α-helix	trans	-71.9	-39.7	-179.7	-64.3	165.5	0	0	0	110.8	I376 F379 R444 R445 F450 N451 P452 F455 S457	I376-I448 HydrophobicContact CD1-CG2 4.48Å; I376-I448 HydrophobicContact CG2-CB 4.32Å; I376-I448 HydrophobicContact CG2-CD1 4.08Å; I376-I448 HydrophobicContact CG2-CG2 3.85Å; F379-I448 HydrophobicContact CE2-CD1 3.75Å; F379-I448 HydrophobicContact CZ-CD1 3.94Å; R444-I448 HydrophobicContact CG-CD1 4.15Å; R444-I448 WeakPolarHBondContact O-CG1 3.4Å; R444-I448 PolarHBondContact O-N 2.92Å; R445-I448 PolarHBondContact O-N 2.79Å; I448-F450 VanDerWaalsContact C-N 3.32Å; I448-F450 PolarHBondContact O-N 3.32Å; I448-N451 CarbonylContact O-C 3.52Å; I448-N451 VanDerWaalsContact O-C 3.23Å; I448-N451 PolarHBondContact O-N 3.5Å; I448-P452 VanDerWaalsContact O-CA 3.28Å; I448-P452 WeakPolarHBondContact O-CA 3.33Å; I448-P452 WeakPolarHBondContact O-CD 3.48Å; I448-F455 HydrophobicContact CG1-CB 3.92Å; I448-S457 VanDerWaalsContact CD1-OG 3.24Å; I448-S457 WeakPolarHBondContact CD1-OG 3.48Å
449	E	86.1	Confident	89.3	Confident	97 Å²	97	40.2 Å²	40.2	45%	0.453	20%	0.204	S	C	.	.	H	α-helix	trans	-62.9	-38.5	174.8	-75.1	177.3	-174.7	0	0	112.7	I376 R445 N451	I376-E449 HydrophobicContact CD1-CG 3.52Å; R445-E449 WeakPolarHBondContact CG-OE1 3.47Å; R445-E449 IonicContact CZ-OE1 2.84Å; R445-E449 IonicContact CZ-OE2 3.35Å; R445-E449 IonicContact NH1-OE1 3.67Å; R445-E449 PolarHBondContact NH1-OE1 3.45Å; R445-E449 IonicContact NH1-OE2 2.67Å; R445-E449 PolarHBondContact NH1-OE2 3.39Å; R445-E449 WeakPolarHBondContact O-CG 3.4Å; R445-E449 PolarHBondContact O-N 3.35Å; E449-N451 VanDerWaalsContact C-N 3.31Å; E449-N451 PolarHBondContact O-N 3.08Å
450	F	88.9	Confident	89.6	Confident	151 Å²	151	39.9 Å²	39.9	66%	0.662	20%	0.199	S	C	*	.	H	α-helix	trans	-64.3	-35.8	178.9	-177.8	-101.2	0	0	0	112.2	Q446 I448 L612	Q446-F450 WeakPolarHBondContact O-CB 3.47Å; Q446-F450 PolarHBondContact O-N 3.27Å; I448-F450 VanDerWaalsContact C-N 3.32Å; I448-F450 PolarHBondContact O-N 3.32Å; F450-L612 HydrophobicContact CD1-CD1 4.31Å; F450-L612 HydrophobicContact CE1-CD1 4.25Å
451	N	90.1	Very high	89.7	Confident	48 Å²	48	40.9 Å²	40.9	26%	0.257	20%	0.203	S	C	.	.			trans	-150.1	82.1	176.5	-167.2	-15.3	0	0	0	113.2	L447 I448 E449 S453 R454 F455	L447-N451 PolarHBondContact O-N 3.25Å; I448-N451 CarbonylContact O-C 3.52Å; I448-N451 VanDerWaalsContact O-C 3.23Å; I448-N451 PolarHBondContact O-N 3.5Å; E449-N451 VanDerWaalsContact C-N 3.31Å; E449-N451 PolarHBondContact O-N 3.08Å; N451-S453 PolarHBondContact O-N 2.78Å; N451-S453 PolarHBondContact OD1-N 2.88Å; N451-S453 PolarHBondContact OD1-OG 3.28Å; N451-R454 HydrophobicContact CB-CB 4.32Å; N451-R454 PolarHBondContact O-N 3.1Å; N451-R454 VanDerWaalsContact O-N 3.1Å; N451-R454 PolarHBondContact OD1-N 2.85Å; N451-F455 HydrophobicContact CB-CD2 3.96Å; N451-F455 HydrophobicContact CB-CE2 4.07Å; N451-F455 WeakPolarHBondContact O-CD2 3.46Å; N451-F455 PolarHBondContact O-N 3.42Å; N451-F455 VanDerWaalsContact O-N 3.08Å
452	P	90.2	Very high	90.1	Very high	45 Å²	45	38.5 Å²	38.5	29%	0.292	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-16.2	-176.6	27.5	-35.5	0	0	0	113.1	F374 I448 R454	F374-P452 HydrophobicContact CD1-CB 4.08Å; F374-P452 HydrophobicContact CD1-CG 4.11Å; F374-P452 HydrophobicContact CE1-CB 4.38Å; F374-P452 HydrophobicContact CE1-CG 4.1Å; F374-P452 HydrophobicContact CG-CG 4.44Å; F374-P452 HydrophobicContact CZ-CG 4.4Å; I448-P452 VanDerWaalsContact O-CA 3.28Å; I448-P452 WeakPolarHBondContact O-CA 3.33Å; I448-P452 WeakPolarHBondContact O-CD 3.48Å; P452-R454 VanDerWaalsContact C-N 3.34Å
453	S	90.5	Very high	90.4	Very high	93 Å²	93	38 Å²	38	65%	0.65	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76	-24.4	175	74.1	0	0	0	0	112.9	N451	N451-S453 PolarHBondContact O-N 2.78Å; N451-S453 PolarHBondContact OD1-N 2.88Å; N451-S453 PolarHBondContact OD1-OG 3.28Å
454	R	93.3	Very high	90.5	Very high	77 Å²	77	39.1 Å²	39.1	29%	0.291	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.5	-36.2	-175.3	-175.5	173.6	178.8	156.8	1.3	113	N451 P452 I520 E620	N451-R454 HydrophobicContact CB-CB 4.32Å; N451-R454 PolarHBondContact O-N 3.1Å; N451-R454 VanDerWaalsContact O-N 3.1Å; N451-R454 PolarHBondContact OD1-N 2.85Å; P452-R454 VanDerWaalsContact C-N 3.34Å; R454-I520 HydrophobicContact CG-CD1 4.06Å; R454-I520 PolarHBondContact O-N 2.95Å; R454-E620 IonicContact NH2-OE1 2.69Å; R454-E620 PolarHBondContact NH2-OE1 3.13Å
455	F	94.6	Very high	90.5	Very high	7 Å²	7	44.3 Å²	44.3	3%	0.031	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	140.9	-174.5	-56.4	-72.9	0	0	0	111.5	L447 I448 N451 I520 V522 L612 I615	L447-F455 HydrophobicContact CD1-CD1 4.37Å; L447-F455 HydrophobicContact CD1-CD2 3.93Å; L447-F455 HydrophobicContact CD1-CE1 4.11Å; L447-F455 HydrophobicContact CD1-CE2 3.64Å; L447-F455 HydrophobicContact CD1-CG 4.3Å; L447-F455 HydrophobicContact CD1-CZ 3.74Å; L447-F455 HydrophobicContact CD2-CD1 4.1Å; L447-F455 HydrophobicContact CD2-CE1 4.32Å; L447-F455 HydrophobicContact CD2-CG 4.35Å; L447-F455 HydrophobicContact CG-CD1 4.13Å; L447-F455 HydrophobicContact CG-CD2 3.95Å; L447-F455 HydrophobicContact CG-CE1 4.35Å; L447-F455 HydrophobicContact CG-CE2 4.18Å; L447-F455 HydrophobicContact CG-CG 3.94Å; L447-F455 HydrophobicContact CG-CZ 4.37Å; L447-F455 WeakPolarHBondContact O-CD2 3.42Å; I448-F455 HydrophobicContact CG1-CB 3.92Å; N451-F455 HydrophobicContact CB-CD2 3.96Å; N451-F455 HydrophobicContact CB-CE2 4.07Å; N451-F455 WeakPolarHBondContact O-CD2 3.46Å; N451-F455 PolarHBondContact O-N 3.42Å; N451-F455 VanDerWaalsContact O-N 3.08Å; F455-I520 HydrophobicContact CD1-CB 3.81Å; F455-I520 HydrophobicContact CD1-CD1 4.25Å; F455-I520 HydrophobicContact CD1-CG2 4.01Å; F455-I520 HydrophobicContact CE1-CB 4.12Å; F455-I520 HydrophobicContact CE1-CD1 3.7Å; F455-I520 HydrophobicContact CE1-CG1 4.48Å; F455-I520 HydrophobicContact CE1-CG2 4.19Å; F455-I520 HydrophobicContact CZ-CD1 4.46Å; F455-V522 HydrophobicContact CB-CG2 4.49Å; F455-V522 HydrophobicContact CD1-CG2 4.08Å; F455-L612 HydrophobicContact CE2-CD2 4.06Å; F455-L612 HydrophobicContact CZ-CD2 3.97Å; F455-I615 HydrophobicContact CE1-CD1 4.29Å; F455-I615 HydrophobicContact CE1-CG2 3.99Å
456	Q	93.6	Very high	90.7	Very high	46 Å²	46	45.6 Å²	45.6	22%	0.215	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	149.5	176.4	176.7	167.2	-18	0	0	110.9	V514 E517 K519 I520 C521 V522	Q456-V514 HydrophobicContact CB-CG1 3.78Å; Q456-V514 HydrophobicContact CG-CG1 4.03Å; Q456-V514 HydrophobicContact CG-CG2 4.1Å; Q456-E517 PolarHBondContact OE1-OE2 2.88Å; Q456-K519 HydrophobicContact CB-CB 4.47Å; Q456-K519 HydrophobicContact CB-CD 4.02Å; Q456-I520 PolarHBondContact N-O 2.83Å; Q456-I520 VanDerWaalsContact N-O 3.09Å; Q456-C521 VanDerWaalsContact O-CA 3.28Å; Q456-C521 WeakPolarHBondContact O-CA 3.45Å; Q456-V522 PolarHBondContact O-N 3.39Å
457	S	91.2	Very high	90.6	Very high	3 Å²	3	46 Å²	46	2%	0.021	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-91.4	149.7	170.3	-61.7	0	0	0	0	110.6	A377 I448	A377-S457 VanDerWaalsContact O-CB 3.28Å; A377-S457 WeakPolarHBondContact O-CB 3.08Å; I448-S457 VanDerWaalsContact CD1-OG 3.24Å; I448-S457 WeakPolarHBondContact CD1-OG 3.48Å
458	A	91.7	Very high	90.2	Very high	8 Å²	8	51.9 Å²	51.9	7%	0.066	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-65.5	143.6	167.4	0	0	0	0	0	110.5	P460 T506 A510 V511	A458-P460 VanDerWaalsContact O-CD 3.32Å; A458-P460 WeakPolarHBondContact O-CD 3.19Å; A458-T506 HydrophobicContact CB-CG2 3.84Å; A458-A510 HydrophobicContact CB-CB 4.13Å; A458-V511 HydrophobicContact CB-CG2 3.82Å
459	V	91.3	Very high	89.8	Confident	19 Å²	19	56.6 Å²	56.6	12%	0.115	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-81.5	116.1	175.9	-175.4	0	0	0	0	108.5	A377 H477 A510	A377-V459 HydrophobicContact CB-CG2 3.78Å; V459-H477 PolarHBondContact O-CD2 3.26Å; V459-A510 WeakPolarHBondContact O-CB 3.19Å
460	P	91.3	Very high	89.7	Confident	11 Å²	11	52.4 Å²	52.4	7%	0.071	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-74	165.1	-179.7	29.2	-33.7	0	0	0	112.2	A458 Y476 H477 G505	A458-P460 VanDerWaalsContact O-CD 3.32Å; A458-P460 WeakPolarHBondContact O-CD 3.19Å; P460-Y476 HydrophobicContact CB-CD1 4.08Å; P460-Y476 HydrophobicContact CB-CE1 4.06Å; P460-Y476 HydrophobicContact CG-CD1 3.59Å; P460-Y476 HydrophobicContact CG-CE1 3.49Å; P460-Y476 VanDerWaalsContact CG-CE1 3.49Å; P460-Y476 HydrophobicContact CG-CG 4.49Å; P460-Y476 CarbonylContact O-C 3.48Å; P460-Y476 VanDerWaalsContact O-CA 3.26Å; P460-Y476 WeakPolarHBondContact O-CA 3.26Å; P460-H477 PolarHBondContact O-N 3.4Å; P460-G505 CarbonylContact C-O 3.49Å; P460-G505 WeakPolarHBondContact CA-O 3.29Å; P460-G505 WeakPolarHBondContact CB-O 3.14Å
461	H	91.8	Very high	89.5	Confident	22 Å²	22	49.8 Å²	49.8	10%	0.102	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	150.2	175	-64.4	63	0	0	0	110.4	H477 V479 F484 Y504 G505 S507	H461-H477 CarbonylContact C-O 3.59Å; H461-H477 VanDerWaalsContact CA-O 3.28Å; H461-H477 WeakPolarHBondContact CA-O 3.32Å; H461-H477 HydrophobicContact CB-CB 4.45Å; H461-H477 AromaticContact CE1-CD2 3.73Å; H461-H477 AromaticContact NE2-CD2 3.97Å; H461-H477 AromaticContact NE2-CG 3.96Å; H461-V479 HydrophobicContact CB-CG2 4.32Å; H461-F484 HydrophobicContact CB-CD2 4.07Å; H461-F484 HydrophobicContact CB-CE2 3.82Å; H461-Y504 VanDerWaalsContact O-CA 3.32Å; H461-Y504 WeakPolarHBondContact O-CA 3.28Å; H461-G505 PolarHBondContact N-O 2.8Å; H461-G505 PolarHBondContact O-N 2.87Å; H461-G505 VanDerWaalsContact O-N 3.08Å; H461-S507 PolarHBondContact CE1-OG 3.46Å
462	T	91.3	Very high	89.5	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	149.6	170.9	-172.2	0	0	0	0	112.7	R464 Y476 H477 Y478 V479 L503 Y504	T462-R464 HydrophobicContact CG2-CB 4.2Å; T462-R464 WeakPolarHBondContact OG1-CB 3.26Å; T462-R464 PolarHBondContact OG1-N 2.93Å; T462-R464 VanDerWaalsContact OG1-N 3.13Å; T462-Y476 HydrophobicContact CG2-CD1 3.87Å; T462-Y476 HydrophobicContact CG2-CD2 4.43Å; T462-Y476 HydrophobicContact CG2-CG 3.73Å; T462-H477 PolarHBondContact N-O 3.38Å; T462-Y478 HydrophobicContact CG2-CD1 3.57Å; T462-Y478 HydrophobicContact CG2-CE1 3.82Å; T462-Y478 HydrophobicContact CG2-CG 4.33Å; T462-V479 PolarHBondContact O-N 3.31Å; T462-L503 CarbonylContact C-O 3.59Å; T462-L503 WeakPolarHBondContact CA-O 3.15Å; T462-L503 PolarHBondContact OG1-O 2.88Å; T462-L503 VanDerWaalsContact OG1-O 3.06Å; T462-Y504 HydrophobicContact CG2-CE1 4.48Å; T462-Y504 VanDerWaalsContact OG1-CD1 3.29Å; T462-Y504 WeakPolarHBondContact OG1-CD1 3.39Å; T462-Y504 WeakPolarHBondContact OG1-CE1 3.28Å
463	T	90.4	Very high	89.2	Confident	26 Å²	26	51.6 Å²	51.6	16%	0.16	28%	0.28	C	S	.	.	S	Bend	trans	-90.5	-3.3	169.4	65.3	0	0	0	0	113.6	V479 K481 F484 L503	T463-V479 WeakPolarHBondContact CA-O 3.33Å; T463-K481 HydrophobicContact CG2-CB 4.29Å; T463-F484 HydrophobicContact CG2-CB 3.69Å; T463-F484 HydrophobicContact CG2-CD2 4.02Å; T463-F484 HydrophobicContact CG2-CG 3.97Å; T463-L503 HydrophobicContact CG2-CB 3.92Å; T463-L503 HydrophobicContact CG2-CD1 4.29Å; T463-L503 HydrophobicContact CG2-CG 4.43Å; T463-L503 PolarHBondContact N-O 3.06Å; T463-L503 PolarHBondContact OG1-N 3.37Å
464	R	90.9	Very high	88.7	Confident	25 Å²	25	50 Å²	50	9%	0.094	26%	0.26	C	S	.	.	S	Bend	trans	-63.4	146.4	172.1	-173.6	-177.3	59.2	108.9	-6.3	109.6	T462 E470 Y478 H502 Y504	T462-R464 HydrophobicContact CG2-CB 4.2Å; T462-R464 WeakPolarHBondContact OG1-CB 3.26Å; T462-R464 PolarHBondContact OG1-N 2.93Å; T462-R464 VanDerWaalsContact OG1-N 3.13Å; R464-E470 IonicContact CZ-OE1 3.35Å; R464-E470 IonicContact CZ-OE2 3.23Å; R464-E470 IonicContact NH1-OE1 3.34Å; R464-E470 IonicContact NH1-OE2 3.63Å; R464-E470 PolarHBondContact NH1-OE2 3.24Å; R464-E470 VanDerWaalsContact NH2-CD 3.29Å; R464-E470 IonicContact NH2-OE1 2.78Å; R464-E470 PolarHBondContact NH2-OE1 2.89Å; R464-E470 IonicContact NH2-OE2 2.82Å; R464-E470 PolarHBondContact NH2-OE2 2.9Å; R464-Y478 WeakPolarHBondContact O-CD1 3.48Å; R464-H502 HydrophobicContact CB-CB 4.09Å; R464-Y504 WeakPolarHBondContact CD-OH 3.32Å
465	T	88.9	Confident	88.1	Confident	116 Å²	116	47.6 Å²	47.6	71%	0.712	25%	0.252	S	S	*	.	P	Polyproline II helix	trans	-68.9	141.6	170.6	51.8	0	0	0	0	111.4
466	K	90.7	Very high	87.8	Confident	105 Å²	105	47.6 Å²	47.6	46%	0.457	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-66.8	130.7	177.7	-169.3	-173.2	77.9	141	0	110.9	E470 Y478	K466-E470 VanDerWaalsContact CD-O 3.25Å; K466-E470 WeakPolarHBondContact CD-O 3.48Å; K466-E470 WeakPolarHBondContact CE-O 3.26Å; K466-E470 HydrophobicContact CG-CB 3.8Å; K466-E470 PolarHBondContact NZ-O 3.3Å; K466-Y478 VanDerWaalsContact CA-CE1 3.49Å; K466-Y478 HydrophobicContact CB-CD1 3.73Å; K466-Y478 HydrophobicContact CB-CD2 3.99Å; K466-Y478 HydrophobicContact CB-CE1 3.83Å; K466-Y478 HydrophobicContact CB-CE2 4.13Å; K466-Y478 HydrophobicContact CB-CG 3.79Å; K466-Y478 HydrophobicContact CD-CD2 4.05Å; K466-Y478 HydrophobicContact CD-CE2 4.05Å; K466-Y478 HydrophobicContact CG-CD1 4.26Å; K466-Y478 HydrophobicContact CG-CD2 3.84Å; K466-Y478 HydrophobicContact CG-CE1 4.02Å; K466-Y478 HydrophobicContact CG-CE2 3.61Å; K466-Y478 HydrophobicContact CG-CG 4.17Å
467	K	85.9	Confident	87.8	Confident	58 Å²	58	48.2 Å²	48.2	25%	0.252	26%	0.255	S	S	.	.	P	Polyproline II helix	trans	-72.4	162.1	171.6	-69.7	-177.3	177.6	-162.9	0	111.2	E359 Y469 E470	E359-K467 IonicContact OE1-NZ 3.65Å; E359-K467 PolarHBondContact OE1-NZ 2.83Å; E359-K467 IonicContact OE2-NZ 2.89Å; E359-K467 PolarHBondContact OE2-NZ 3.04Å; K467-Y469 VanDerWaalsContact C-N 3.26Å; K467-Y469 HydrophobicContact CB-CD1 4.36Å; K467-Y469 HydrophobicContact CB-CE1 4.08Å; K467-Y469 HydrophobicContact CB-CE2 4.34Å; K467-Y469 HydrophobicContact CD-CE1 3.86Å; K467-Y469 HydrophobicContact CD-CE2 4.19Å; K467-Y469 VanDerWaalsContact CD-CZ 3.45Å; K467-Y469 WeakPolarHBondContact CD-OH 3.31Å; K467-Y469 PolarHBondContact NZ-OH 3.28Å; K467-Y469 PolarHBondContact O-N 3.2Å; K467-E470 HydrophobicContact CB-CG 4.03Å; K467-E470 PolarHBondContact N-OE2 3.36Å; K467-E470 PolarHBondContact O-N 3.03Å; K467-E470 VanDerWaalsContact O-N 3.13Å
468	S	81.8	Confident	87.9	Confident	123 Å²	123	49.9 Å²	49.9	86%	0.86	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-32.1	-175.9	53	0	0	0	0	114
469	Y	81.8	Confident	88.1	Confident	109 Å²	109	51.1 Å²	51.1	43%	0.427	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-2.7	179.6	55.8	-102.2	0	0	0	114.4	K467	K467-Y469 VanDerWaalsContact C-N 3.26Å; K467-Y469 HydrophobicContact CB-CD1 4.36Å; K467-Y469 HydrophobicContact CB-CE1 4.08Å; K467-Y469 HydrophobicContact CB-CE2 4.34Å; K467-Y469 HydrophobicContact CD-CE1 3.86Å; K467-Y469 HydrophobicContact CD-CE2 4.19Å; K467-Y469 VanDerWaalsContact CD-CZ 3.45Å; K467-Y469 WeakPolarHBondContact CD-OH 3.31Å; K467-Y469 PolarHBondContact NZ-OH 3.28Å; K467-Y469 PolarHBondContact O-N 3.2Å
470	E	83.9	Confident	88.2	Confident	9 Å²	9	52.7 Å²	52.7	4%	0.042	28%	0.28	C	S	.	.			trans	-95	152.6	-179.1	-66.1	174.9	154.3	0	0	111.8	R464 K466 K467 E475 Y478	R464-E470 IonicContact CZ-OE1 3.35Å; R464-E470 IonicContact CZ-OE2 3.23Å; R464-E470 IonicContact NH1-OE1 3.34Å; R464-E470 IonicContact NH1-OE2 3.63Å; R464-E470 PolarHBondContact NH1-OE2 3.24Å; R464-E470 VanDerWaalsContact NH2-CD 3.29Å; R464-E470 IonicContact NH2-OE1 2.78Å; R464-E470 PolarHBondContact NH2-OE1 2.89Å; R464-E470 IonicContact NH2-OE2 2.82Å; R464-E470 PolarHBondContact NH2-OE2 2.9Å; K466-E470 VanDerWaalsContact CD-O 3.25Å; K466-E470 WeakPolarHBondContact CD-O 3.48Å; K466-E470 WeakPolarHBondContact CE-O 3.26Å; K466-E470 HydrophobicContact CG-CB 3.8Å; K466-E470 PolarHBondContact NZ-O 3.3Å; K467-E470 HydrophobicContact CB-CG 4.03Å; K467-E470 PolarHBondContact N-OE2 3.36Å; K467-E470 PolarHBondContact O-N 3.03Å; K467-E470 VanDerWaalsContact O-N 3.13Å; E470-E475 HydrophobicContact CG-CG 4.45Å; E470-Y478 VanDerWaalsContact CB-OH 3.31Å; E470-Y478 WeakPolarHBondContact CB-OH 3.4Å; E470-Y478 PolarHBondContact OE2-OH 2.92Å
471	M	84.6	Confident	88.1	Confident	96 Å²	96	58 Å²	58	47%	0.473	30%	0.301	S	S	.	.			trans	-120.6	131.7	179.9	-65.3	-165.6	-60.6	0	0	111.5	G473 R474 E475	M471-G473 PolarHBondContact O-N 2.97Å; M471-R474 HydrophobicContact CB-CB 4.11Å; M471-R474 HydrophobicContact CE-CB 4.48Å; M471-R474 VanDerWaalsContact CE-CZ 3.41Å; M471-R474 VanDerWaalsContact CE-NH2 3.29Å; M471-R474 PolarHBondContact O-N 3.35Å; M471-R474 VanDerWaalsContact O-N 3.1Å; M471-E475 PolarHBondContact N-OE2 3.48Å; M471-E475 PolarHBondContact O-N 3.02Å
472	N	89.1	Confident	87.8	Confident	99 Å²	99	63.1 Å²	63.1	53%	0.529	33%	0.325	S	S	.	.	B	Isolated β-bridge	trans	-66	131.2	177.7	-174.3	55.1	0	0	0	110.7	R474 Y476 H477 Y478	N472-R474 VanDerWaalsContact C-N 3.28Å; N472-Y476 PolarHBondContact OD1-O 3.09Å; N472-H477 WeakPolarHBondContact OD1-CA 3.45Å; N472-Y478 HydrophobicContact CB-CD2 4.1Å; N472-Y478 WeakPolarHBondContact OD1-CD2 3.48Å; N472-Y478 PolarHBondContact OD1-N 3.35Å
473	G	83.6	Confident	87.8	Confident	31 Å²	31	66.4 Å²	66.4	32%	0.32	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.1	2.8	-175	0	0	0	0	0	114.5	M471 Y476	M471-G473 PolarHBondContact O-N 2.97Å; G473-Y476 PolarHBondContact N-O 2.86Å
474	R	81.6	Confident	87.7	Confident	61 Å²	61	65.1 Å²	65.1	23%	0.23	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.2	-63.9	169.6	-165.9	175.7	83	-179.6	168.7	111.9	F375 A377 M471 N472	F375-R474 HydrophobicContact CB-CG 4.1Å; F375-R474 VanDerWaalsContact CG-CZ 3.46Å; A377-R474 WeakPolarHBondContact CB-O 3.4Å; M471-R474 HydrophobicContact CB-CB 4.11Å; M471-R474 HydrophobicContact CE-CB 4.48Å; M471-R474 VanDerWaalsContact CE-CZ 3.41Å; M471-R474 VanDerWaalsContact CE-NH2 3.29Å; M471-R474 PolarHBondContact O-N 3.35Å; M471-R474 VanDerWaalsContact O-N 3.1Å; N472-R474 VanDerWaalsContact C-N 3.28Å
475	E	80.9	Confident	87.2	Confident	26 Å²	26	67.1 Å²	67.1	12%	0.121	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-50.4	176.8	-66.9	74.6	-158	0	0	110.5	E470 M471	E470-E475 HydrophobicContact CG-CG 4.45Å; M471-E475 PolarHBondContact N-OE2 3.48Å; M471-E475 PolarHBondContact O-N 3.02Å
476	Y	88.3	Confident	86.8	Confident	6 Å²	6	65 Å²	65	2%	0.024	34%	0.338	C	S	.	.	B	Isolated β-bridge	trans	-146.1	158	179.3	-70.6	-89.7	0	0	0	111.1	R380 R381 P460 T462 N472 G473 Y478 Y504	R380-Y476 PolarHBondContact O-OH 3.04Å; R381-Y476 PolarHBondContact O-OH 2.92Å; P460-Y476 HydrophobicContact CB-CD1 4.08Å; P460-Y476 HydrophobicContact CB-CE1 4.06Å; P460-Y476 HydrophobicContact CG-CD1 3.59Å; P460-Y476 HydrophobicContact CG-CE1 3.49Å; P460-Y476 VanDerWaalsContact CG-CE1 3.49Å; P460-Y476 HydrophobicContact CG-CG 4.49Å; P460-Y476 CarbonylContact O-C 3.48Å; P460-Y476 VanDerWaalsContact O-CA 3.26Å; P460-Y476 WeakPolarHBondContact O-CA 3.26Å; T462-Y476 HydrophobicContact CG2-CD1 3.87Å; T462-Y476 HydrophobicContact CG2-CD2 4.43Å; T462-Y476 HydrophobicContact CG2-CG 3.73Å; N472-Y476 PolarHBondContact OD1-O 3.09Å; G473-Y476 PolarHBondContact N-O 2.86Å; Y476-Y478 VanDerWaalsContact O-CD2 3.26Å; Y476-Y478 WeakPolarHBondContact O-CD2 3.25Å; Y476-Y478 VanDerWaalsContact O-CE2 3.31Å; Y476-Y478 WeakPolarHBondContact O-CE2 3.33Å; Y476-Y504 HydrophobicContact CD1-CD1 4.32Å; Y476-Y504 AromaticContact CE1-CD1 3.61Å; Y476-Y504 HydrophobicContact CE1-CD1 3.61Å; Y476-Y504 HydrophobicContact CE1-CE1 4.06Å
477	H	93	Very high	86.2	Confident	60 Å²	60	60.7 Å²	60.7	28%	0.278	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	104.6	154.4	-68.6	-67.9	0	0	0	108.8	V459 P460 H461 T462 N472 V479	V459-H477 PolarHBondContact O-CD2 3.26Å; P460-H477 PolarHBondContact O-N 3.4Å; H461-H477 CarbonylContact C-O 3.59Å; H461-H477 VanDerWaalsContact CA-O 3.28Å; H461-H477 WeakPolarHBondContact CA-O 3.32Å; H461-H477 HydrophobicContact CB-CB 4.45Å; H461-H477 AromaticContact CE1-CD2 3.73Å; H461-H477 AromaticContact NE2-CD2 3.97Å; H461-H477 AromaticContact NE2-CG 3.96Å; T462-H477 PolarHBondContact N-O 3.38Å; N472-H477 WeakPolarHBondContact OD1-CA 3.45Å; H477-V479 HydrophobicContact CB-CG1 4.47Å; H477-V479 PolarHBondContact O-N 3.11Å
478	Y	93.8	Very high	85.7	Confident	38 Å²	38	59.4 Å²	59.4	15%	0.149	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	109.7	178.7	-59.7	-89.9	0	0	0	108.7	T462 R464 K466 E470 N472 Y476	T462-Y478 HydrophobicContact CG2-CD1 3.57Å; T462-Y478 HydrophobicContact CG2-CE1 3.82Å; T462-Y478 HydrophobicContact CG2-CG 4.33Å; R464-Y478 WeakPolarHBondContact O-CD1 3.48Å; K466-Y478 VanDerWaalsContact CA-CE1 3.49Å; K466-Y478 HydrophobicContact CB-CD1 3.73Å; K466-Y478 HydrophobicContact CB-CD2 3.99Å; K466-Y478 HydrophobicContact CB-CE1 3.83Å; K466-Y478 HydrophobicContact CB-CE2 4.13Å; K466-Y478 HydrophobicContact CB-CG 3.79Å; K466-Y478 HydrophobicContact CD-CD2 4.05Å; K466-Y478 HydrophobicContact CD-CE2 4.05Å; K466-Y478 HydrophobicContact CG-CD1 4.26Å; K466-Y478 HydrophobicContact CG-CD2 3.84Å; K466-Y478 HydrophobicContact CG-CE1 4.02Å; K466-Y478 HydrophobicContact CG-CE2 3.61Å; K466-Y478 HydrophobicContact CG-CG 4.17Å; E470-Y478 VanDerWaalsContact CB-OH 3.31Å; E470-Y478 WeakPolarHBondContact CB-OH 3.4Å; E470-Y478 PolarHBondContact OE2-OH 2.92Å; N472-Y478 HydrophobicContact CB-CD2 4.1Å; N472-Y478 WeakPolarHBondContact OD1-CD2 3.48Å; N472-Y478 PolarHBondContact OD1-N 3.35Å; Y476-Y478 VanDerWaalsContact O-CD2 3.26Å; Y476-Y478 WeakPolarHBondContact O-CD2 3.25Å; Y476-Y478 VanDerWaalsContact O-CE2 3.31Å; Y476-Y478 WeakPolarHBondContact O-CE2 3.33Å
479	V	94.8	Very high	85.3	Confident	34 Å²	34	61.8 Å²	61.8	21%	0.206	31%	0.307	C	S	.	.			trans	-125.8	159.4	-173.3	-63.3	0	0	0	0	111.1	H461 T462 T463 H477 T483 F484	H461-V479 HydrophobicContact CB-CG2 4.32Å; T462-V479 PolarHBondContact O-N 3.31Å; T463-V479 WeakPolarHBondContact CA-O 3.33Å; H477-V479 HydrophobicContact CB-CG1 4.47Å; H477-V479 PolarHBondContact O-N 3.11Å; V479-T483 HydrophobicContact CB-CG2 4.14Å; V479-T483 HydrophobicContact CG1-CG2 4.36Å; V479-F484 HydrophobicContact CG2-CB 4.12Å; V479-F484 HydrophobicContact CG2-CD2 3.93Å
480	S	94.1	Very high	84.9	Confident	52 Å²	52	59.1 Å²	59.1	36%	0.364	30%	0.304	S	S	.	.			trans	-70.7	161.2	174.1	83.6	0	0	0	0	111.2	E482 T483 F484	S480-E482 VanDerWaalsContact C-N 3.29Å; S480-E482 WeakPolarHBondContact CB-OE2 3.4Å; S480-E482 PolarHBondContact O-N 3.15Å; S480-E482 PolarHBondContact OG-OE2 2.74Å; S480-T483 PolarHBondContact O-N 2.88Å; S480-T483 PolarHBondContact OG-N 3.09Å; S480-T483 PolarHBondContact OG-OG1 3.01Å; S480-F484 PolarHBondContact O-N 3.22Å
481	K	88.6	Confident	84.5	Confident	121 Å²	121	62.6 Å²	62.6	53%	0.526	32%	0.32	S	S	.	.	H	α-helix	trans	-60.5	-40.4	177.1	-172.2	175.1	176.1	178.1	0	111.5	T463 T483 F484 E485 L503	T463-K481 HydrophobicContact CG2-CB 4.29Å; K481-T483 VanDerWaalsContact C-N 3.33Å; K481-T483 PolarHBondContact O-N 2.93Å; K481-F484 PolarHBondContact O-N 3.15Å; K481-E485 WeakPolarHBondContact CE-OE1 3.24Å; K481-E485 HydrophobicContact CG-CG 4.46Å; K481-E485 WeakPolarHBondContact O-CB 3.36Å; K481-E485 WeakPolarHBondContact O-CG 3.42Å; K481-E485 PolarHBondContact O-N 2.59Å; K481-L503 HydrophobicContact CG-CD1 4.41Å
482	E	86.3	Confident	84.3	Confident	130 Å²	130	63.1 Å²	63.1	61%	0.607	32%	0.317	S	S	*	.	H	α-helix	trans	-64.2	-39.3	178.2	-50.8	78.2	-167.6	0	0	111.6	S480 S486	S480-E482 VanDerWaalsContact C-N 3.29Å; S480-E482 WeakPolarHBondContact CB-OE2 3.4Å; S480-E482 PolarHBondContact O-N 3.15Å; S480-E482 PolarHBondContact OG-OE2 2.74Å; E482-S486 WeakPolarHBondContact O-CB 3.48Å; E482-S486 PolarHBondContact O-N 2.78Å
483	T	91.3	Very high	84.1	Confident	69 Å²	69	59 Å²	59	42%	0.423	29%	0.294	S	S	.	.	H	α-helix	trans	-66.5	-42.9	177.1	-54.1	0	0	0	0	110.7	V479 S480 K481 S486 L487	V479-T483 HydrophobicContact CB-CG2 4.14Å; V479-T483 HydrophobicContact CG1-CG2 4.36Å; S480-T483 PolarHBondContact O-N 2.88Å; S480-T483 PolarHBondContact OG-N 3.09Å; S480-T483 PolarHBondContact OG-OG1 3.01Å; K481-T483 VanDerWaalsContact C-N 3.33Å; K481-T483 PolarHBondContact O-N 2.93Å; T483-S486 WeakPolarHBondContact O-CB 3.16Å; T483-S486 PolarHBondContact O-N 3.07Å; T483-L487 WeakPolarHBondContact O-CG 3.2Å; T483-L487 PolarHBondContact O-N 3.36Å; T483-L487 VanDerWaalsContact O-N 3.15Å
484	F	88.8	Confident	84.1	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-62.9	-47.2	177.3	-161.8	-74.7	0	0	0	111.2	H461 T463 V479 S480 K481 S486 L487 I488 M493 Y496 L503 Y504	H461-F484 HydrophobicContact CB-CD2 4.07Å; H461-F484 HydrophobicContact CB-CE2 3.82Å; T463-F484 HydrophobicContact CG2-CB 3.69Å; T463-F484 HydrophobicContact CG2-CD2 4.02Å; T463-F484 HydrophobicContact CG2-CG 3.97Å; V479-F484 HydrophobicContact CG2-CB 4.12Å; V479-F484 HydrophobicContact CG2-CD2 3.93Å; S480-F484 PolarHBondContact O-N 3.22Å; K481-F484 PolarHBondContact O-N 3.15Å; F484-S486 VanDerWaalsContact C-N 3.32Å; F484-S486 PolarHBondContact O-N 3.43Å; F484-L487 WeakPolarHBondContact O-CB 3.49Å; F484-L487 PolarHBondContact O-N 3.46Å; F484-L487 VanDerWaalsContact O-N 3.13Å; F484-I488 HydrophobicContact CD1-CD1 3.78Å; F484-I488 HydrophobicContact CD1-CG1 4.16Å; F484-I488 HydrophobicContact CE1-CD1 3.82Å; F484-I488 HydrophobicContact CE1-CG1 4.16Å; F484-I488 PolarHBondContact O-N 2.94Å; F484-I488 VanDerWaalsContact O-N 3.14Å; F484-M493 HydrophobicContact CE1-CE 3.96Å; F484-M493 HydrophobicContact CE2-CE 3.97Å; F484-M493 HydrophobicContact CZ-CE 3.47Å; F484-M493 VanDerWaalsContact CZ-CE 3.47Å; F484-Y496 HydrophobicContact CE1-CG 4.47Å; F484-L503 HydrophobicContact CD1-CB 3.9Å; F484-L503 HydrophobicContact CD1-CD1 3.72Å; F484-L503 HydrophobicContact CD1-CG 4.43Å; F484-L503 HydrophobicContact CD2-CB 4.27Å; F484-L503 HydrophobicContact CE1-CB 3.79Å; F484-L503 HydrophobicContact CE1-CD1 4.21Å; F484-L503 HydrophobicContact CE2-CB 4.16Å; F484-L503 HydrophobicContact CG-CB 4.15Å; F484-L503 HydrophobicContact CG-CD1 4.24Å; F484-L503 HydrophobicContact CZ-CB 3.93Å; F484-Y504 VanDerWaalsContact CZ-C 3.46Å
485	E	79.9	Confident	84.2	Confident	67 Å²	67	55.2 Å²	55.2	31%	0.313	27%	0.271	S	S	.	.	H	α-helix	trans	-61.3	-39.8	176.4	-73.6	174.7	178.3	0	0	111.8	K481 L487 I488 Y489	K481-E485 WeakPolarHBondContact CE-OE1 3.24Å; K481-E485 HydrophobicContact CG-CG 4.46Å; K481-E485 WeakPolarHBondContact O-CB 3.36Å; K481-E485 WeakPolarHBondContact O-CG 3.42Å; K481-E485 PolarHBondContact O-N 2.59Å; E485-L487 VanDerWaalsContact C-N 3.29Å; E485-L487 PolarHBondContact O-N 2.83Å; E485-I488 WeakPolarHBondContact O-CB 3.49Å; E485-I488 PolarHBondContact O-N 2.8Å; E485-I488 VanDerWaalsContact O-N 3.08Å; E485-Y489 HydrophobicContact CB-CD2 4.29Å; E485-Y489 HydrophobicContact CB-CE2 4.04Å; E485-Y489 WeakPolarHBondContact O-CD2 3.23Å; E485-Y489 PolarHBondContact O-N 3.46Å
486	S	80.1	Confident	84.3	Confident	70 Å²	70	58 Å²	58	49%	0.49	28%	0.281	S	S	.	.	H	α-helix	trans	-59.4	-37.8	173.7	-177.2	0	0	0	0	112.9	E482 T483 F484 I488 Y489 S490	E482-S486 WeakPolarHBondContact O-CB 3.48Å; E482-S486 PolarHBondContact O-N 2.78Å; T483-S486 WeakPolarHBondContact O-CB 3.16Å; T483-S486 PolarHBondContact O-N 3.07Å; F484-S486 VanDerWaalsContact C-N 3.32Å; F484-S486 PolarHBondContact O-N 3.43Å; S486-I488 VanDerWaalsContact C-N 3.35Å; S486-Y489 PolarHBondContact O-N 2.87Å; S486-S490 WeakPolarHBondContact O-CB 3.47Å; S486-S490 PolarHBondContact O-N 3.47Å; S486-S490 PolarHBondContact O-OG 2.81Å
487	L	78.8	Confident	83.8	Confident	16 Å²	16	58.5 Å²	58.5	8%	0.084	29%	0.289	C	S	.	.	H	α-helix	trans	-66.9	-35.7	174.3	-67	171	0	0	0	112.2	T483 F484 E485 S490 H491 R492 M493	T483-L487 WeakPolarHBondContact O-CG 3.2Å; T483-L487 PolarHBondContact O-N 3.36Å; T483-L487 VanDerWaalsContact O-N 3.15Å; F484-L487 WeakPolarHBondContact O-CB 3.49Å; F484-L487 PolarHBondContact O-N 3.46Å; F484-L487 VanDerWaalsContact O-N 3.13Å; E485-L487 VanDerWaalsContact C-N 3.29Å; E485-L487 PolarHBondContact O-N 2.83Å; L487-S490 WeakPolarHBondContact CA-OG 3.4Å; L487-S490 PolarHBondContact O-OG 2.95Å; L487-H491 PolarHBondContact O-N 3.31Å; L487-R492 HydrophobicContact CD2-CB 4.39Å; L487-R492 PolarHBondContact O-N 2.97Å; L487-M493 HydrophobicContact CB-CG 3.68Å; L487-M493 HydrophobicContact CB-SD 3.78Å; L487-M493 HydrophobicContact CD1-SD 4.1Å; L487-M493 PolarHBondContact O-N 3.11Å
488	I	75.1	Confident	83.1	Confident	30 Å²	30	61.5 Å²	61.5	15%	0.154	30%	0.303	C	S	.	.	H	α-helix	trans	-65.3	-52.4	173.2	-62.2	171.2	0	0	0	110.1	F484 E485 S486 S490 H491 M493 Y496	F484-I488 HydrophobicContact CD1-CD1 3.78Å; F484-I488 HydrophobicContact CD1-CG1 4.16Å; F484-I488 HydrophobicContact CE1-CD1 3.82Å; F484-I488 HydrophobicContact CE1-CG1 4.16Å; F484-I488 PolarHBondContact O-N 2.94Å; F484-I488 VanDerWaalsContact O-N 3.14Å; E485-I488 WeakPolarHBondContact O-CB 3.49Å; E485-I488 PolarHBondContact O-N 2.8Å; E485-I488 VanDerWaalsContact O-N 3.08Å; S486-I488 VanDerWaalsContact C-N 3.35Å; I488-S490 VanDerWaalsContact C-N 3.26Å; I488-S490 PolarHBondContact O-N 2.96Å; I488-H491 PolarHBondContact O-N 3.23Å; I488-M493 HydrophobicContact CG1-CB 4.45Å; I488-M493 HydrophobicContact CG1-CG 3.93Å; I488-Y496 HydrophobicContact CD1-CD2 3.79Å; I488-Y496 HydrophobicContact CD1-CE1 4.47Å; I488-Y496 HydrophobicContact CD1-CE2 3.76Å; I488-Y496 HydrophobicContact CD1-CG 4.18Å; I488-Y496 HydrophobicContact CG1-CD1 4.19Å; I488-Y496 HydrophobicContact CG1-CD2 4.36Å; I488-Y496 HydrophobicContact CG1-CE1 4.2Å; I488-Y496 HydrophobicContact CG1-CE2 4.37Å; I488-Y496 HydrophobicContact CG1-CG 4.27Å; I488-Y496 HydrophobicContact CG2-CE1 4.04Å
489	Y	72.9	Confident	82.2	Confident	174 Å²	174	61.2 Å²	61.2	68%	0.682	30%	0.301	S	S	*	.	H	α-helix	trans	-63.4	-30.1	-178.2	-72.5	-62.2	0	0	0	113.3	E485 S486 H491	E485-Y489 HydrophobicContact CB-CD2 4.29Å; E485-Y489 HydrophobicContact CB-CE2 4.04Å; E485-Y489 WeakPolarHBondContact O-CD2 3.23Å; E485-Y489 PolarHBondContact O-N 3.46Å; S486-Y489 PolarHBondContact O-N 2.87Å; Y489-H491 PolarHBondContact O-N 3.02Å
490	S	73.8	Confident	81.3	Confident	52 Å²	52	66 Å²	66	36%	0.364	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	6.6	174.7	57	0	0	0	0	113.8	S486 L487 I488 R492	S486-S490 WeakPolarHBondContact O-CB 3.47Å; S486-S490 PolarHBondContact O-N 3.47Å; S486-S490 PolarHBondContact O-OG 2.81Å; L487-S490 WeakPolarHBondContact CA-OG 3.4Å; L487-S490 PolarHBondContact O-OG 2.95Å; I488-S490 VanDerWaalsContact C-N 3.26Å; I488-S490 PolarHBondContact O-N 2.96Å; S490-R492 PolarHBondContact O-N 3.13Å; S490-R492 PolarHBondContact OG-NE 3.3Å
491	H	74.6	Confident	80.5	Confident	82 Å²	82	66.1 Å²	66.1	38%	0.38	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.6	30.4	-178.1	-58.2	-82.7	0	0	0	113.8	C400 L487 I488 Y489	C400-H491 PolarHBondContact O-CE1 3.06Å; C400-H491 PolarHBondContact O-NE2 3.46Å; L487-H491 PolarHBondContact O-N 3.31Å; I488-H491 PolarHBondContact O-N 3.23Å; Y489-H491 PolarHBondContact O-N 3.02Å
492	R	81.6	Confident	80.1	Confident	108 Å²	108	63.5 Å²	63.5	41%	0.408	32%	0.319	S	S	.	.			trans	-99.1	-2.2	179.2	-67.9	-160.3	-68	169.4	-7.2	113.7	L487 S490 S507 M508 D509	L487-R492 HydrophobicContact CD2-CB 4.39Å; L487-R492 PolarHBondContact O-N 2.97Å; S490-R492 PolarHBondContact O-N 3.13Å; S490-R492 PolarHBondContact OG-NE 3.3Å; R492-S507 CarbonylContact O-C 3.42Å; R492-S507 VanDerWaalsContact O-CA 3.29Å; R492-S507 WeakPolarHBondContact O-CA 3.35Å; R492-S507 WeakPolarHBondContact O-CB 3.29Å; R492-M508 PolarHBondContact O-N 3.13Å; R492-D509 IonicContact CZ-OD2 3.54Å; R492-D509 IonicContact NH1-OD2 3.35Å; R492-D509 PolarHBondContact NH1-OD2 3.26Å
493	M	84.5	Confident	80	Confident	12 Å²	12	58.4 Å²	58.4	6%	0.059	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	121.7	171.4	-66.3	-60.6	-69.2	0	0	110.1	F484 L487 I488 Y496 G505	F484-M493 HydrophobicContact CE1-CE 3.96Å; F484-M493 HydrophobicContact CE2-CE 3.97Å; F484-M493 HydrophobicContact CZ-CE 3.47Å; F484-M493 VanDerWaalsContact CZ-CE 3.47Å; L487-M493 HydrophobicContact CB-CG 3.68Å; L487-M493 HydrophobicContact CB-SD 3.78Å; L487-M493 HydrophobicContact CD1-SD 4.1Å; L487-M493 PolarHBondContact O-N 3.11Å; I488-M493 HydrophobicContact CG1-CB 4.45Å; I488-M493 HydrophobicContact CG1-CG 3.93Å; M493-Y496 HydrophobicContact CB-CD1 3.97Å; M493-G505 VanDerWaalsContact CE-C 3.42Å
494	L	84.1	Confident	79.7	Confident	8 Å²	8	55.3 Å²	55.3	4%	0.042	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	-41.1	177.7	-64.1	177.3	0	0	0	111.5	T506 M508 V511 V532 V533 L538	L494-T506 WeakPolarHBondContact CB-O 3.11Å; L494-T506 PolarHBondContact N-O 3.1Å; L494-M508 HydrophobicContact CD1-SD 4.48Å; L494-M508 HydrophobicContact CD2-CB 4.22Å; L494-M508 HydrophobicContact CD2-SD 4.08Å; L494-M508 HydrophobicContact CG-CB 4.3Å; L494-V511 HydrophobicContact CD1-CB 4.28Å; L494-V511 HydrophobicContact CD1-CG2 3.61Å; L494-V532 HydrophobicContact CD2-CG1 4.02Å; L494-V533 HydrophobicContact CB-CG1 4.25Å; L494-V533 HydrophobicContact CD1-CG1 4.27Å; L494-V533 HydrophobicContact CD2-CG1 4.22Å; L494-V533 HydrophobicContact CG-CG1 4.48Å; L494-L538 HydrophobicContact CD1-CD1 4.24Å; L494-L538 HydrophobicContact CD2-CD1 4.35Å
495	E	83.3	Confident	79.7	Confident	5 Å²	5	55.3 Å²	55.3	2%	0.023	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	147.4	171.8	63	172.3	178.9	0	0	108.9	R387 G505 T506 M523 L525 D529	R387-E495 IonicContact NH2-OE2 3.66Å; E495-G505 CarbonylContact O-C 3.58Å; E495-G505 WeakPolarHBondContact O-CA 3.09Å; E495-T506 PolarHBondContact N-O 2.7Å; E495-T506 PolarHBondContact O-N 2.67Å; E495-T506 PolarHBondContact OE1-OG1 3.09Å; E495-M523 VanDerWaalsContact CD-CE 3.4Å; E495-M523 HydrophobicContact CG-CE 3.58Å; E495-M523 WeakPolarHBondContact OE1-CE 3.36Å; E495-L525 HydrophobicContact CB-CD1 4.05Å; E495-L525 HydrophobicContact CG-CD1 4.29Å; E495-D529 HydrophobicContact CB-CB 4.42Å
496	Y	82.6	Confident	80.2	Confident	83 Å²	83	52.6 Å²	52.6	33%	0.325	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	166.5	172.8	66	-86.7	0	0	0	111.5	M383 F484 I488 M493 Y504	M383-Y496 VanDerWaalsContact CE-C 3.42Å; F484-Y496 HydrophobicContact CE1-CG 4.47Å; I488-Y496 HydrophobicContact CD1-CD2 3.79Å; I488-Y496 HydrophobicContact CD1-CE1 4.47Å; I488-Y496 HydrophobicContact CD1-CE2 3.76Å; I488-Y496 HydrophobicContact CD1-CG 4.18Å; I488-Y496 HydrophobicContact CG1-CD1 4.19Å; I488-Y496 HydrophobicContact CG1-CD2 4.36Å; I488-Y496 HydrophobicContact CG1-CE1 4.2Å; I488-Y496 HydrophobicContact CG1-CE2 4.37Å; I488-Y496 HydrophobicContact CG1-CG 4.27Å; I488-Y496 HydrophobicContact CG2-CE1 4.04Å; M493-Y496 HydrophobicContact CB-CD1 3.97Å; Y496-Y504 CarbonylContact C-O 3.23Å; Y496-Y504 WeakPolarHBondContact CA-O 3.39Å; Y496-Y504 WeakPolarHBondContact CB-O 3.15Å
497	G	77.6	Confident	80.8	Confident	18 Å²	18	49.3 Å²	49.3	19%	0.186	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177.5	169.3	-177.8	0	0	0	0	0	111.9	L503 Y504	G497-L503 WeakPolarHBondContact O-CA 3.28Å; G497-Y504 PolarHBondContact N-O 3.08Å; G497-Y504 PolarHBondContact O-N 3Å
498	E	78.6	Confident	81.4	Confident	122 Å²	122	49.8 Å²	49.8	57%	0.57	24%	0.243	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-111.2	139.9	-175.6	-168.4	180	154.5	0	0	111.9	C386 G501 H502 L503	C386-E498 VanDerWaalsContact CB-O 3.29Å; C386-E498 WeakPolarHBondContact CB-O 3.27Å; E498-G501 WeakPolarHBondContact OE1-CA 3.45Å; E498-H502 CarbonylContact C-O 3.56Å; E498-H502 WeakPolarHBondContact CA-O 3.44Å; E498-L503 HydrophobicContact CB-CD2 3.98Å; E498-L503 HydrophobicContact CG-CD2 4.14Å
499	Y	74.3	Confident	82.2	Confident	32 Å²	32	51.8 Å²	51.8	13%	0.125	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	126.3	174	-173.3	-113.1	0	0	0	112.6	L385 C386 G501 H502 Y566	L385-Y499 HydrophobicContact CB-CE2 4.39Å; L385-Y499 VanDerWaalsContact O-CE2 3.31Å; L385-Y499 WeakPolarHBondContact O-CE2 3.31Å; C386-Y499 VanDerWaalsContact SG-CB 3.58Å; Y499-G501 PolarHBondContact O-N 3.23Å; Y499-H502 PolarHBondContact N-O 3.4Å; Y499-H502 PolarHBondContact O-N 3.37Å; Y499-Y566 WeakPolarHBondContact OH-CE2 3.41Å; Y499-Y566 PolarHBondContact OH-OH 3.01Å
500	K	77.7	Confident	83.3	Confident	134 Å²	134	43.8 Å²	43.8	58%	0.583	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.3	44.2	-177.7	-64.8	-170	173.8	-168	0	112	H502 Y566	K500-H502 VanDerWaalsContact C-N 3.28Å; K500-H502 PolarHBondContact O-CD2 2.88Å; K500-H502 PolarHBondContact O-N 2.9Å; K500-Y566 VanDerWaalsContact CE-OH 3.24Å; K500-Y566 WeakPolarHBondContact CE-OH 3.45Å; K500-Y566 PolarHBondContact NZ-OH 3.16Å
501	G	75.6	Confident	84.2	Confident	55 Å²	55	41.3 Å²	41.3	57%	0.567	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.2	5.2	179.3	0	0	0	0	0	115.7	E498 Y499	E498-G501 WeakPolarHBondContact OE1-CA 3.45Å; Y499-G501 PolarHBondContact O-N 3.23Å
502	H	81.3	Confident	85.2	Confident	66 Å²	66	38.8 Å²	38.8	31%	0.306	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	144.1	177.9	-60	-65.5	0	0	0	111.3	R464 E498 Y499 K500 Y504	R464-H502 HydrophobicContact CB-CB 4.09Å; E498-H502 CarbonylContact C-O 3.56Å; E498-H502 WeakPolarHBondContact CA-O 3.44Å; Y499-H502 PolarHBondContact N-O 3.4Å; Y499-H502 PolarHBondContact O-N 3.37Å; K500-H502 VanDerWaalsContact C-N 3.28Å; K500-H502 PolarHBondContact O-CD2 2.88Å; K500-H502 PolarHBondContact O-N 2.9Å; H502-Y504 HydrophobicContact CB-CE2 3.76Å; H502-Y504 WeakPolarHBondContact O-CD2 3.24Å; H502-Y504 WeakPolarHBondContact O-CE2 3.49Å
503	L	83.8	Confident	85.8	Confident	24 Å²	24	37.3 Å²	37.3	13%	0.126	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	144.4	177.2	-59.8	172.8	0	0	0	110	T462 T463 K481 F484 G497 E498	T462-L503 CarbonylContact C-O 3.59Å; T462-L503 WeakPolarHBondContact CA-O 3.15Å; T462-L503 PolarHBondContact OG1-O 2.88Å; T462-L503 VanDerWaalsContact OG1-O 3.06Å; T463-L503 HydrophobicContact CG2-CB 3.92Å; T463-L503 HydrophobicContact CG2-CD1 4.29Å; T463-L503 HydrophobicContact CG2-CG 4.43Å; T463-L503 PolarHBondContact N-O 3.06Å; T463-L503 PolarHBondContact OG1-N 3.37Å; K481-L503 HydrophobicContact CG-CD1 4.41Å; F484-L503 HydrophobicContact CD1-CB 3.9Å; F484-L503 HydrophobicContact CD1-CD1 3.72Å; F484-L503 HydrophobicContact CD1-CG 4.43Å; F484-L503 HydrophobicContact CD2-CB 4.27Å; F484-L503 HydrophobicContact CE1-CB 3.79Å; F484-L503 HydrophobicContact CE1-CD1 4.21Å; F484-L503 HydrophobicContact CE2-CB 4.16Å; F484-L503 HydrophobicContact CG-CB 4.15Å; F484-L503 HydrophobicContact CG-CD1 4.24Å; F484-L503 HydrophobicContact CZ-CB 3.93Å; G497-L503 WeakPolarHBondContact O-CA 3.28Å; E498-L503 HydrophobicContact CB-CD2 3.98Å; E498-L503 HydrophobicContact CG-CD2 4.14Å
504	Y	86.1	Confident	86.3	Confident	3 Å²	3	36.9 Å²	36.9	1%	0.012	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	147.5	175.8	-62.5	-98.7	0	0	0	108.8	M383 H461 T462 R464 Y476 F484 Y496 G497 H502	M383-Y504 WeakPolarHBondContact CE-O 3.36Å; M383-Y504 VanDerWaalsContact SD-C 3.57Å; M383-Y504 WeakPolarHBondContact SD-CB 3.34Å; M383-Y504 HydrophobicContact SD-CG 4.5Å; H461-Y504 VanDerWaalsContact O-CA 3.32Å; H461-Y504 WeakPolarHBondContact O-CA 3.28Å; T462-Y504 HydrophobicContact CG2-CE1 4.48Å; T462-Y504 VanDerWaalsContact OG1-CD1 3.29Å; T462-Y504 WeakPolarHBondContact OG1-CD1 3.39Å; T462-Y504 WeakPolarHBondContact OG1-CE1 3.28Å; R464-Y504 WeakPolarHBondContact CD-OH 3.32Å; Y476-Y504 HydrophobicContact CD1-CD1 4.32Å; Y476-Y504 AromaticContact CE1-CD1 3.61Å; Y476-Y504 HydrophobicContact CE1-CD1 3.61Å; Y476-Y504 HydrophobicContact CE1-CE1 4.06Å; F484-Y504 VanDerWaalsContact CZ-C 3.46Å; Y496-Y504 CarbonylContact C-O 3.23Å; Y496-Y504 WeakPolarHBondContact CA-O 3.39Å; Y496-Y504 WeakPolarHBondContact CB-O 3.15Å; G497-Y504 PolarHBondContact N-O 3.08Å; G497-Y504 PolarHBondContact O-N 3Å; H502-Y504 HydrophobicContact CB-CE2 3.76Å; H502-Y504 WeakPolarHBondContact O-CD2 3.24Å; H502-Y504 WeakPolarHBondContact O-CE2 3.49Å
505	G	87.1	Confident	86.8	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177	166.8	175.5	0	0	0	0	0	114.4	P460 H461 M493 E495	P460-G505 CarbonylContact C-O 3.49Å; P460-G505 WeakPolarHBondContact CA-O 3.29Å; P460-G505 WeakPolarHBondContact CB-O 3.14Å; H461-G505 PolarHBondContact N-O 2.8Å; H461-G505 PolarHBondContact O-N 2.87Å; H461-G505 VanDerWaalsContact O-N 3.08Å; M493-G505 VanDerWaalsContact CE-C 3.42Å; E495-G505 CarbonylContact O-C 3.58Å; E495-G505 WeakPolarHBondContact O-CA 3.09Å
506	T	90.8	Very high	87.4	Confident	10 Å²	10	40.2 Å²	40.2	6%	0.061	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	123.7	-178	-53.8	0	0	0	0	109.3	A458 L494 E495 V511 M523	A458-T506 HydrophobicContact CB-CG2 3.84Å; L494-T506 WeakPolarHBondContact CB-O 3.11Å; L494-T506 PolarHBondContact N-O 3.1Å; E495-T506 PolarHBondContact N-O 2.7Å; E495-T506 PolarHBondContact O-N 2.67Å; E495-T506 PolarHBondContact OE1-OG1 3.09Å; T506-V511 HydrophobicContact CG2-CG2 4.08Å; T506-M523 HydrophobicContact CG2-CE 3.8Å; T506-M523 HydrophobicContact CG2-SD 4.15Å
507	S	92.6	Very high	87.9	Confident	1 Å²	1	40.9 Å²	40.9	1%	0.007	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	157.1	178.6	71	0	0	0	0	112.1	H461 R492 D509 A510 V511	H461-S507 PolarHBondContact CE1-OG 3.46Å; R492-S507 CarbonylContact O-C 3.42Å; R492-S507 VanDerWaalsContact O-CA 3.29Å; R492-S507 WeakPolarHBondContact O-CA 3.35Å; R492-S507 WeakPolarHBondContact O-CB 3.29Å; S507-D509 VanDerWaalsContact C-N 3.26Å; S507-D509 PolarHBondContact O-N 3.02Å; S507-A510 PolarHBondContact O-N 2.99Å; S507-A510 PolarHBondContact OG-N 3.13Å; S507-V511 PolarHBondContact O-N 2.78Å
508	M	90.9	Very high	88.7	Confident	26 Å²	26	46.3 Å²	46.3	13%	0.128	24%	0.235	C	C	.	.	H	α-helix	trans	-56.4	-43.3	171.8	179.4	65.9	-167.1	0	0	111	R492 L494 A510 V511 Q512 E537 L538	R492-M508 PolarHBondContact O-N 3.13Å; L494-M508 HydrophobicContact CD1-SD 4.48Å; L494-M508 HydrophobicContact CD2-CB 4.22Å; L494-M508 HydrophobicContact CD2-SD 4.08Å; L494-M508 HydrophobicContact CG-CB 4.3Å; M508-A510 VanDerWaalsContact C-N 3.29Å; M508-A510 PolarHBondContact O-N 3.37Å; M508-V511 PolarHBondContact O-N 3.34Å; M508-Q512 WeakPolarHBondContact O-CB 3.43Å; M508-Q512 PolarHBondContact O-N 3.25Å; M508-E537 HydrophobicContact CE-CB 4.1Å; M508-E537 VanDerWaalsContact CE-OE2 3.24Å; M508-E537 WeakPolarHBondContact CE-OE2 3.41Å; M508-L538 HydrophobicContact CE-CD1 4.2Å; M508-L538 HydrophobicContact CE-CD2 3.54Å; M508-L538 HydrophobicContact CE-CG 3.67Å; M508-L538 HydrophobicContact SD-CD1 3.61Å; M508-L538 HydrophobicContact SD-CD2 3.83Å; M508-L538 HydrophobicContact SD-CG 3.79Å
509	D	93.8	Very high	89.5	Confident	72 Å²	72	42.8 Å²	42.8	39%	0.385	22%	0.218	S	C	.	.	H	α-helix	trans	-61.5	-36.5	179.8	-62.1	-26.7	0	0	0	112.1	R492 S507 Q512 T513	R492-D509 IonicContact CZ-OD2 3.54Å; R492-D509 IonicContact NH1-OD2 3.35Å; R492-D509 PolarHBondContact NH1-OD2 3.26Å; S507-D509 VanDerWaalsContact C-N 3.26Å; S507-D509 PolarHBondContact O-N 3.02Å; D509-Q512 PolarHBondContact O-N 2.9Å; D509-T513 PolarHBondContact O-N 3.07Å; D509-T513 PolarHBondContact O-OG1 3.42Å
510	A	94.2	Very high	90.5	Very high	6 Å²	6	41.3 Å²	41.3	5%	0.05	21%	0.212	C	C	.	.	H	α-helix	trans	-67.4	-39.8	177.3	0	0	0	0	0	112.2	A458 V459 S507 M508	A458-A510 HydrophobicContact CB-CB 4.13Å; V459-A510 WeakPolarHBondContact O-CB 3.19Å; S507-A510 PolarHBondContact O-N 2.99Å; S507-A510 PolarHBondContact OG-N 3.13Å; M508-A510 VanDerWaalsContact C-N 3.29Å; M508-A510 PolarHBondContact O-N 3.37Å
511	V	94.4	Very high	91.4	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-66.7	-44.4	173.2	174.4	0	0	0	0	110.3	L429 A458 L494 T506 S507 M508 T513 V514 L515 C521 M523 L538	L429-V511 HydrophobicContact CD1-CG1 3.89Å; L429-V511 HydrophobicContact CD2-CG1 4.29Å; A458-V511 HydrophobicContact CB-CG2 3.82Å; L494-V511 HydrophobicContact CD1-CB 4.28Å; L494-V511 HydrophobicContact CD1-CG2 3.61Å; T506-V511 HydrophobicContact CG2-CG2 4.08Å; S507-V511 PolarHBondContact O-N 2.78Å; M508-V511 PolarHBondContact O-N 3.34Å; V511-T513 VanDerWaalsContact C-N 3.29Å; V511-T513 PolarHBondContact O-N 2.97Å; V511-V514 PolarHBondContact O-N 3.35Å; V511-V514 VanDerWaalsContact O-N 3.15Å; V511-L515 HydrophobicContact CG1-CD1 4.21Å; V511-L515 HydrophobicContact CG1-CG 4.47Å; V511-L515 WeakPolarHBondContact O-CG 3.44Å; V511-L515 PolarHBondContact O-N 2.71Å; V511-C521 HydrophobicContact CG1-CB 4.43Å; V511-M523 HydrophobicContact CG2-SD 4.15Å; V511-L538 HydrophobicContact CG1-CD2 3.65Å
512	Q	94.2	Very high	92.3	Very high	30 Å²	30	32.3 Å²	32.3	14%	0.14	16%	0.157	C	C	.	.	H	α-helix	trans	-61.7	-38.3	-178	-167	53.2	53.8	0	0	112.2	M508 D509 V514 L515 D516	M508-Q512 WeakPolarHBondContact O-CB 3.43Å; M508-Q512 PolarHBondContact O-N 3.25Å; D509-Q512 PolarHBondContact O-N 2.9Å; Q512-V514 VanDerWaalsContact C-N 3.31Å; Q512-V514 PolarHBondContact O-N 3.13Å; Q512-L515 PolarHBondContact O-N 3.11Å; Q512-L515 VanDerWaalsContact O-N 3.15Å; Q512-D516 PolarHBondContact NE2-OD1 3.28Å; Q512-D516 WeakPolarHBondContact O-CB 3.42Å; Q512-D516 PolarHBondContact O-N 3Å
513	T	94.9	Very high	92.8	Very high	76 Å²	76	29.4 Å²	29.4	47%	0.466	14%	0.144	S	C	.	.	H	α-helix	trans	-54.8	-45.2	174.9	-59.3	0	0	0	0	111.7	D509 V511 D516 E517	D509-T513 PolarHBondContact O-N 3.07Å; D509-T513 PolarHBondContact O-OG1 3.42Å; V511-T513 VanDerWaalsContact C-N 3.29Å; V511-T513 PolarHBondContact O-N 2.97Å; T513-D516 PolarHBondContact O-N 3.47Å; T513-E517 WeakPolarHBondContact O-CG 3.07Å; T513-E517 PolarHBondContact O-N 2.82Å; T513-E517 VanDerWaalsContact O-N 3.13Å
514	V	95.1	Very high	93.1	Very high	3 Å²	3	28.6 Å²	28.6	2%	0.018	14%	0.14	C	C	.	.	H	α-helix	trans	-67.7	-39.1	179.2	-179.6	0	0	0	0	111.7	Q456 V511 Q512 D516 E517 K519 C521	Q456-V514 HydrophobicContact CB-CG1 3.78Å; Q456-V514 HydrophobicContact CG-CG1 4.03Å; Q456-V514 HydrophobicContact CG-CG2 4.1Å; V511-V514 PolarHBondContact O-N 3.35Å; V511-V514 VanDerWaalsContact O-N 3.15Å; Q512-V514 VanDerWaalsContact C-N 3.31Å; Q512-V514 PolarHBondContact O-N 3.13Å; V514-D516 VanDerWaalsContact C-N 3.33Å; V514-E517 PolarHBondContact O-N 3.13Å; V514-K519 HydrophobicContact CG1-CB 4.01Å; V514-K519 PolarHBondContact O-N 2.86Å; V514-C521 HydrophobicContact CB-CB 4.06Å; V514-C521 HydrophobicContact CG1-CB 3.79Å
515	L	94.3	Very high	93.1	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.01	14%	0.141	C	C	.	.	H	α-helix	trans	-68.7	-34.2	178.3	-62.4	-177.3	0	0	0	112.1	K426 Y427 V511 Q512 R518 C521 L538	K426-L515 HydrophobicContact CD-CB 4.37Å; Y427-L515 WeakPolarHBondContact O-CD2 3.31Å; V511-L515 HydrophobicContact CG1-CD1 4.21Å; V511-L515 HydrophobicContact CG1-CG 4.47Å; V511-L515 WeakPolarHBondContact O-CG 3.44Å; V511-L515 PolarHBondContact O-N 2.71Å; Q512-L515 PolarHBondContact O-N 3.11Å; Q512-L515 VanDerWaalsContact O-N 3.15Å; L515-R518 PolarHBondContact O-N 2.98Å; L515-R518 VanDerWaalsContact O-N 3.14Å; L515-C521 HydrophobicContact CD2-CB 3.77Å; L515-C521 HydrophobicContact CG-CB 4.33Å; L515-L538 HydrophobicContact CD1-CD2 3.93Å
516	D	94.9	Very high	92.7	Very high	82 Å²	82	30.5 Å²	30.5	44%	0.439	15%	0.149	S	C	.	.	H	α-helix	trans	-69.1	-33.7	176.6	-69.4	-13.5	0	0	0	112	K426 Q512 T513 V514 R518	K426-D516 WeakPolarHBondContact CD-OD1 3.24Å; K426-D516 WeakPolarHBondContact CE-OD1 3.49Å; K426-D516 IonicContact NZ-OD1 2.9Å; K426-D516 PolarHBondContact NZ-OD1 3.36Å; Q512-D516 PolarHBondContact NE2-OD1 3.28Å; Q512-D516 WeakPolarHBondContact O-CB 3.42Å; Q512-D516 PolarHBondContact O-N 3Å; T513-D516 PolarHBondContact O-N 3.47Å; V514-D516 VanDerWaalsContact C-N 3.33Å; D516-R518 PolarHBondContact O-N 2.96Å; D516-R518 VanDerWaalsContact O-N 3.08Å
517	E	94.2	Very high	92.1	Very high	96 Å²	96	30.7 Å²	30.7	45%	0.449	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	3.2	169.9	-72.4	-175.6	-166.3	0	0	114.1	Q456 T513 V514 K519	Q456-E517 PolarHBondContact OE1-OE2 2.88Å; T513-E517 WeakPolarHBondContact O-CG 3.07Å; T513-E517 PolarHBondContact O-N 2.82Å; T513-E517 VanDerWaalsContact O-N 3.13Å; V514-E517 PolarHBondContact O-N 3.13Å; E517-K519 VanDerWaalsContact C-N 3.27Å; E517-K519 HydrophobicContact CB-CD 4.43Å; E517-K519 PolarHBondContact O-N 2.96Å; E517-K519 IonicContact OE2-NZ 3.01Å; E517-K519 PolarHBondContact OE2-NZ 3.44Å
518	R	93.6	Very high	91.4	Very high	133 Å²	133	36.7 Å²	36.7	50%	0.502	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	59	36.8	-177.4	-56.9	-62.8	-166.7	154.6	0.3	112.9	S424 D425 Y427 L515 D516	S424-R518 VanDerWaalsContact O-CZ 3.27Å; S424-R518 PolarHBondContact O-NH1 3.12Å; S424-R518 PolarHBondContact O-NH2 2.92Å; D425-R518 PolarHBondContact O-NH1 3.44Å; Y427-R518 VanDerWaalsContact CE2-O 3.23Å; Y427-R518 WeakPolarHBondContact CE2-O 3.28Å; L515-R518 PolarHBondContact O-N 2.98Å; L515-R518 VanDerWaalsContact O-N 3.14Å; D516-R518 PolarHBondContact O-N 2.96Å; D516-R518 VanDerWaalsContact O-N 3.08Å
519	K	95.1	Very high	90.9	Very high	48 Å²	48	37.2 Å²	37.2	21%	0.209	18%	0.182	C	C	.	.			trans	-109.8	159.2	171.3	-67.7	171.9	-174.7	157.5	0	110.9	Q456 V514 E517 C521	Q456-K519 HydrophobicContact CB-CB 4.47Å; Q456-K519 HydrophobicContact CB-CD 4.02Å; V514-K519 HydrophobicContact CG1-CB 4.01Å; V514-K519 PolarHBondContact O-N 2.86Å; E517-K519 VanDerWaalsContact C-N 3.27Å; E517-K519 HydrophobicContact CB-CD 4.43Å; E517-K519 PolarHBondContact O-N 2.96Å; E517-K519 IonicContact OE2-NZ 3.01Å; E517-K519 PolarHBondContact OE2-NZ 3.44Å; K519-C521 PolarHBondContact O-N 3.27Å
520	I	96.4	Very high	90.4	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	111.7	172.8	-61.3	172.7	0	0	0	107.3	Y427 I430 R454 F455 Q456 V522 I615 Q619	Y427-I520 HydrophobicContact CD1-CD1 4.23Å; Y427-I520 HydrophobicContact CD1-CG1 3.74Å; Y427-I520 HydrophobicContact CD2-CG1 3.81Å; Y427-I520 HydrophobicContact CE1-CD1 4.31Å; Y427-I520 HydrophobicContact CE1-CG1 4.15Å; Y427-I520 HydrophobicContact CE2-CG1 4.21Å; Y427-I520 HydrophobicContact CG-CG1 3.55Å; I430-I520 HydrophobicContact CB-CG2 4.49Å; I430-I520 HydrophobicContact CG1-CG2 3.57Å; R454-I520 HydrophobicContact CG-CD1 4.06Å; R454-I520 PolarHBondContact O-N 2.95Å; F455-I520 HydrophobicContact CD1-CB 3.81Å; F455-I520 HydrophobicContact CD1-CD1 4.25Å; F455-I520 HydrophobicContact CD1-CG2 4.01Å; F455-I520 HydrophobicContact CE1-CB 4.12Å; F455-I520 HydrophobicContact CE1-CD1 3.7Å; F455-I520 HydrophobicContact CE1-CG1 4.48Å; F455-I520 HydrophobicContact CE1-CG2 4.19Å; F455-I520 HydrophobicContact CZ-CD1 4.46Å; Q456-I520 PolarHBondContact N-O 2.83Å; Q456-I520 VanDerWaalsContact N-O 3.09Å; I520-V522 HydrophobicContact CG2-CG2 4.28Å; I520-I615 HydrophobicContact CD1-CG2 4.01Å; I520-I615 HydrophobicContact CG2-CG2 4.25Å; I520-Q619 HydrophobicContact CD1-CG 4.06Å
521	C	96.4	Very high	89.8	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	126	173.6	-171.1	0	0	0	0	109.8	L429 I430 Q456 V511 V514 L515 K519	L429-C521 HydrophobicContact CD1-CB 3.82Å; I430-C521 PolarHBondContact N-O 3.24Å; Q456-C521 VanDerWaalsContact O-CA 3.28Å; Q456-C521 WeakPolarHBondContact O-CA 3.45Å; V511-C521 HydrophobicContact CG1-CB 4.43Å; V514-C521 HydrophobicContact CB-CB 4.06Å; V514-C521 HydrophobicContact CG1-CB 3.79Å; L515-C521 HydrophobicContact CD2-CB 3.77Å; L515-C521 HydrophobicContact CG-CB 4.33Å; K519-C521 PolarHBondContact O-N 3.27Å
522	V	95.3	Very high	89.2	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	119.7	177.1	-169.1	0	0	0	0	109.3	I430 L432 R444 L447 F455 Q456 I520	I430-V522 HydrophobicContact CB-CG1 4.48Å; I430-V522 HydrophobicContact CB-CG2 4.36Å; I430-V522 HydrophobicContact CG2-CG1 4.23Å; I430-V522 WeakPolarHBondContact O-CA 3.36Å; L432-V522 HydrophobicContact CD1-CG1 3.82Å; L432-V522 HydrophobicContact CG-CG1 4.01Å; R444-V522 HydrophobicContact CG-CB 4.31Å; R444-V522 HydrophobicContact CG-CG1 3.83Å; L447-V522 HydrophobicContact CD2-CG1 4.24Å; L447-V522 HydrophobicContact CD2-CG2 3.86Å; F455-V522 HydrophobicContact CB-CG2 4.49Å; F455-V522 HydrophobicContact CD1-CG2 4.08Å; Q456-V522 PolarHBondContact O-N 3.39Å; I520-V522 HydrophobicContact CG2-CG2 4.28Å
523	M	91.8	Very high	88.9	Confident	5 Å²	5	38.1 Å²	38.1	3%	0.025	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	137.7	-173.2	-178.7	176.2	178.4	0	0	110.6	L429 I430 V431 L432 E495 T506 V511 L525	L429-M523 HydrophobicContact CD1-CB 4.25Å; I430-M523 PolarHBondContact O-N 3.33Å; V431-M523 CarbonylContact C-O 3.51Å; V431-M523 WeakPolarHBondContact CA-O 3.41Å; L432-M523 PolarHBondContact N-O 3.2Å; E495-M523 VanDerWaalsContact CD-CE 3.4Å; E495-M523 HydrophobicContact CG-CE 3.58Å; E495-M523 WeakPolarHBondContact OE1-CE 3.36Å; T506-M523 HydrophobicContact CG2-CE 3.8Å; T506-M523 HydrophobicContact CG2-SD 4.15Å; V511-M523 HydrophobicContact CG2-SD 4.15Å; M523-L525 HydrophobicContact CE-CD1 3.72Å
524	D	89	Confident	88.6	Confident	8 Å²	8	35.8 Å²	35.8	4%	0.043	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	138.3	163.6	62.9	-52.1	0	0	0	109.3	S382 R384 L432 V440 R444	S382-D524 PolarHBondContact OG-OD2 3.32Å; R384-D524 IonicContact NE-OD2 2.7Å; L432-D524 WeakPolarHBondContact O-CA 3.25Å; V440-D524 HydrophobicContact CG1-CB 3.91Å; R444-D524 IonicContact CZ-OD1 3.68Å; R444-D524 VanDerWaalsContact CZ-OD1 3.25Å; R444-D524 IonicContact NH1-OD1 3.51Å; R444-D524 PolarHBondContact NH1-OD1 3.43Å; R444-D524 IonicContact NH2-OD1 2.64Å
525	L	85.9	Confident	88.3	Confident	5 Å²	5	37.3 Å²	37.3	3%	0.026	18%	0.179	C	C	.	.			trans	-136.3	152.9	-176.3	-166.3	72.7	0	0	0	111	V431 L432 M433 E495 M523 D529 V533	V431-L525 HydrophobicContact CG1-CB 3.62Å; V431-L525 HydrophobicContact CG1-CD2 4Å; V431-L525 HydrophobicContact CG1-CG 4.49Å; L432-L525 PolarHBondContact O-N 3Å; M433-L525 WeakPolarHBondContact CG-O 3.19Å; E495-L525 HydrophobicContact CB-CD1 4.05Å; E495-L525 HydrophobicContact CG-CD1 4.29Å; M523-L525 HydrophobicContact CE-CD1 3.72Å; L525-D529 HydrophobicContact CD1-CB 3.83Å; L525-D529 HydrophobicContact CD2-CB 4.36Å; L525-D529 HydrophobicContact CG-CB 4.02Å; L525-V533 HydrophobicContact CD1-CG1 4.15Å; L525-V533 HydrophobicContact CD2-CB 4.3Å; L525-V533 HydrophobicContact CD2-CG1 3.74Å; L525-V533 HydrophobicContact CD2-CG2 3.53Å
526	E	79.5	Confident	88	Confident	37 Å²	37	41.4 Å²	41.4	17%	0.173	20%	0.197	C	C	.	.			trans	-68.4	150.5	163.7	-68.2	-98.6	101.1	0	0	111.6	R387 Q528 D529	R387-E526 WeakPolarHBondContact CD-OE1 3.38Å; R387-E526 IonicContact CZ-OE1 2.66Å; R387-E526 IonicContact CZ-OE2 2.86Å; R387-E526 IonicContact NE-OE1 3.79Å; R387-E526 PolarHBondContact NE-OE1 3.19Å; R387-E526 IonicContact NE-OE2 3.87Å; R387-E526 PolarHBondContact NE-OE2 3.47Å; R387-E526 IonicContact NH1-OE1 3.6Å; R387-E526 PolarHBondContact NH1-OE1 3.18Å; R387-E526 IonicContact NH2-OE1 3.63Å; E526-Q528 HydrophobicContact CB-CB 4.34Å; E526-Q528 PolarHBondContact O-N 3.35Å; E526-Q528 PolarHBondContact OE2-NE2 2.94Å; E526-D529 HydrophobicContact CB-CB 4.36Å; E526-D529 WeakPolarHBondContact CB-OD2 3.22Å; E526-D529 PolarHBondContact O-N 3.38Å
527	P	78.5	Confident	87.7	Confident	15 Å²	15	42.9 Å²	42.9	10%	0.097	20%	0.202	C	C	.	.	S	Bend	trans	-56.8	-33.3	166.1	-24	34.8	0	0	0	113.8	M433 D529 I530 M587 F591	M433-P527 HydrophobicContact SD-CB 4.35Å; M433-P527 HydrophobicContact SD-CG 4.33Å; P527-D529 VanDerWaalsContact C-N 3.33Å; P527-D529 PolarHBondContact O-N 2.91Å; P527-I530 WeakPolarHBondContact O-CB 3.17Å; P527-I530 WeakPolarHBondContact O-CG2 3.43Å; P527-I530 PolarHBondContact O-N 2.61Å; P527-M587 HydrophobicContact CG-CE 3.28Å; P527-M587 HydrophobicContact CG-CG 4.16Å; P527-M587 HydrophobicContact CG-SD 4.47Å; P527-F591 HydrophobicContact CB-CB 4.37Å; P527-F591 HydrophobicContact CB-CD1 3.75Å; P527-F591 HydrophobicContact CB-CD2 3.34Å; P527-F591 HydrophobicContact CB-CE1 3.75Å; P527-F591 HydrophobicContact CB-CE2 3.34Å; P527-F591 HydrophobicContact CB-CG 3.55Å; P527-F591 HydrophobicContact CB-CZ 3.56Å; P527-F591 HydrophobicContact CG-CD2 4.26Å; P527-F591 HydrophobicContact CG-CE2 4.31Å; P527-F591 VanDerWaalsContact O-CD1 3.31Å; P527-F591 WeakPolarHBondContact O-CD1 3.38Å; P527-F591 WeakPolarHBondContact O-CE1 3.41Å
528	Q	76.8	Confident	87.6	Confident	127 Å²	127	38.4 Å²	38.4	59%	0.593	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-36	-176.4	-47.7	-169.6	64.6	0	0	112	E526 I530	E526-Q528 HydrophobicContact CB-CB 4.34Å; E526-Q528 PolarHBondContact O-N 3.35Å; E526-Q528 PolarHBondContact OE2-NE2 2.94Å; Q528-I530 VanDerWaalsContact C-N 3.31Å; Q528-I530 PolarHBondContact O-N 2.61Å
529	D	80.9	Confident	87.6	Confident	37 Å²	37	33.8 Å²	33.8	20%	0.198	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-0.6	-174.1	-59.5	-38.3	0	0	0	112.8	E495 L525 E526 P527 Q531 V532	E495-D529 HydrophobicContact CB-CB 4.42Å; L525-D529 HydrophobicContact CD1-CB 3.83Å; L525-D529 HydrophobicContact CD2-CB 4.36Å; L525-D529 HydrophobicContact CG-CB 4.02Å; E526-D529 HydrophobicContact CB-CB 4.36Å; E526-D529 WeakPolarHBondContact CB-OD2 3.22Å; E526-D529 PolarHBondContact O-N 3.38Å; P527-D529 VanDerWaalsContact C-N 3.33Å; P527-D529 PolarHBondContact O-N 2.91Å; D529-Q531 PolarHBondContact O-N 3.44Å; D529-Q531 VanDerWaalsContact O-N 3.12Å; D529-V532 WeakPolarHBondContact O-CB 3.31Å; D529-V532 PolarHBondContact O-N 3.46Å
530	I	83.6	Confident	87.6	Confident	2 Å²	2	31.6 Å²	31.6	1%	0.01	16%	0.155	C	C	.	.	H	α-helix	trans	-57.5	-31.8	-176.5	-160.2	170	0	0	0	113.6	M433 P527 Q528 V532 V533 R534 V542 F591 F594	M433-I530 HydrophobicContact CE-CB 4.45Å; M433-I530 HydrophobicContact CE-CD1 3.28Å; M433-I530 HydrophobicContact CE-CG1 3.81Å; M433-I530 HydrophobicContact SD-CD1 4.11Å; P527-I530 WeakPolarHBondContact O-CB 3.17Å; P527-I530 WeakPolarHBondContact O-CG2 3.43Å; P527-I530 PolarHBondContact O-N 2.61Å; Q528-I530 VanDerWaalsContact C-N 3.31Å; Q528-I530 PolarHBondContact O-N 2.61Å; I530-V532 VanDerWaalsContact C-N 3.31Å; I530-V533 WeakPolarHBondContact O-CG2 3.47Å; I530-R534 VanDerWaalsContact O-CG 3.25Å; I530-R534 WeakPolarHBondContact O-CG 3.33Å; I530-R534 PolarHBondContact O-N 2.79Å; I530-V542 HydrophobicContact CD1-CG1 4.22Å; I530-V542 HydrophobicContact CD1-CG2 4.42Å; I530-F591 HydrophobicContact CG2-CD1 4.45Å; I530-F594 HydrophobicContact CD1-CB 3.18Å; I530-F594 HydrophobicContact CD1-CD2 3.93Å; I530-F594 HydrophobicContact CD1-CG 3.76Å; I530-F594 HydrophobicContact CG1-CB 4.2Å; I530-F594 HydrophobicContact CG2-CD2 3.88Å; I530-F594 HydrophobicContact CG2-CE2 4.17Å; I530-F594 HydrophobicContact CG2-CG 4.34Å
531	Q	81.7	Confident	87.6	Confident	68 Å²	68	32 Å²	32	32%	0.318	16%	0.157	S	C	.	.	H	α-helix	trans	-68.4	-35	178.3	-66.6	-56.9	-41.2	0	0	111.7	D529 V533 R534	D529-Q531 PolarHBondContact O-N 3.44Å; D529-Q531 VanDerWaalsContact O-N 3.12Å; Q531-V533 VanDerWaalsContact C-N 3.29Å; Q531-V533 PolarHBondContact O-N 2.82Å; Q531-R534 PolarHBondContact O-N 3.5Å
532	V	81.9	Confident	87.6	Confident	57 Å²	57	32.1 Å²	32.1	35%	0.345	16%	0.157	S	C	.	.	H	α-helix	trans	-66.6	-35.8	-176.2	-171.8	0	0	0	0	110.5	L494 D529 I530 T535	L494-V532 HydrophobicContact CD2-CG1 4.02Å; D529-V532 WeakPolarHBondContact O-CB 3.31Å; D529-V532 PolarHBondContact O-N 3.46Å; I530-V532 VanDerWaalsContact C-N 3.31Å; V532-T535 WeakPolarHBondContact O-CG2 3.49Å
533	V	86.8	Confident	87.8	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-82.5	-12.9	179.1	-59.3	0	0	0	0	114.2	L429 V431 L494 L525 I530 Q531 T535 L538 P540	L429-V533 HydrophobicContact CD2-CB 4.47Å; V431-V533 HydrophobicContact CG2-CG2 4.44Å; L494-V533 HydrophobicContact CB-CG1 4.25Å; L494-V533 HydrophobicContact CD1-CG1 4.27Å; L494-V533 HydrophobicContact CD2-CG1 4.22Å; L494-V533 HydrophobicContact CG-CG1 4.48Å; L525-V533 HydrophobicContact CD1-CG1 4.15Å; L525-V533 HydrophobicContact CD2-CB 4.3Å; L525-V533 HydrophobicContact CD2-CG1 3.74Å; L525-V533 HydrophobicContact CD2-CG2 3.53Å; I530-V533 WeakPolarHBondContact O-CG2 3.47Å; Q531-V533 VanDerWaalsContact C-N 3.29Å; Q531-V533 PolarHBondContact O-N 2.82Å; V533-T535 PolarHBondContact O-N 3.33Å; V533-L538 HydrophobicContact CB-CD1 4.3Å; V533-P540 HydrophobicContact CG2-CB 4.49Å; V533-P540 HydrophobicContact CG2-CG 4.3Å; V533-P540 VanDerWaalsContact O-CD 3.28Å; V533-P540 WeakPolarHBondContact O-CD 3.49Å; V533-P540 WeakPolarHBondContact O-CG 3.38Å
534	R	89	Confident	88	Confident	27 Å²	27	31.9 Å²	31.9	10%	0.102	16%	0.156	C	C	.	.			trans	-78.4	59.7	-177.2	-80.1	175.7	65.4	89.8	-5.3	112.5	E414 I530 Q531 P540 P626 W629	E414-R534 IonicContact OE1-NH2 3.25Å; E414-R534 PolarHBondContact OE1-NH2 3.03Å; E414-R534 IonicContact OE2-CZ 2.61Å; E414-R534 IonicContact OE2-NH2 2.94Å; E414-R534 PolarHBondContact OE2-NH2 3.23Å; I530-R534 VanDerWaalsContact O-CG 3.25Å; I530-R534 WeakPolarHBondContact O-CG 3.33Å; I530-R534 PolarHBondContact O-N 2.79Å; Q531-R534 PolarHBondContact O-N 3.5Å; R534-P540 HydrophobicContact CG-CG 4.2Å; R534-P626 VanDerWaalsContact NH2-CG 3.3Å; R534-W629 HydrophobicContact CB-CZ2 3.82Å; R534-W629 HydrophobicContact CG-CZ2 3.91Å; R534-W629 PolarHBondContact O-NE1 3.49Å
535	T	87.9	Confident	88.3	Confident	35 Å²	35	31.5 Å²	31.5	22%	0.215	15%	0.154	C	C	.	.			trans	-104.7	156.8	-178.9	70	0	0	0	0	112	V532 V533 E537 L538 K539	V532-T535 WeakPolarHBondContact O-CG2 3.49Å; V533-T535 PolarHBondContact O-N 3.33Å; T535-E537 PolarHBondContact O-N 3.06Å; T535-L538 PolarHBondContact O-N 3.38Å; T535-L538 WeakPolarHBondContact OG1-CG 3.43Å; T535-L538 PolarHBondContact OG1-N 3.14Å; T535-K539 PolarHBondContact O-N 3.21Å
536	H	87.9	Confident	88.7	Confident	87 Å²	87	33.8 Å²	33.8	40%	0.403	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-23	173	76.7	-80	0	0	0	112.3	K539 W629	H536-K539 VanDerWaalsContact O-CG 3.3Å; H536-K539 WeakPolarHBondContact O-CG 3.26Å; H536-K539 PolarHBondContact O-NZ 2.54Å; H536-W629 HydrophobicContact CB-CB 4.33Å
537	E	88.8	Confident	89.3	Confident	114 Å²	114	32.7 Å²	32.7	53%	0.533	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-48.2	179.2	-61.1	179.9	-177.2	0	0	111.8	M508 T535	M508-E537 HydrophobicContact CE-CB 4.1Å; M508-E537 VanDerWaalsContact CE-OE2 3.24Å; M508-E537 WeakPolarHBondContact CE-OE2 3.41Å; T535-E537 PolarHBondContact O-N 3.06Å
538	L	92.1	Very high	89.7	Confident	1 Å²	1	32.3 Å²	32.3	1%	0.005	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-32.3	-175.3	-64.2	179.6	0	0	0	113.2	L429 L494 M508 V511 L515 V533 T535 P540	L429-L538 HydrophobicContact CB-CB 4.3Å; L429-L538 HydrophobicContact CD2-CB 4.31Å; L429-L538 HydrophobicContact CD2-CD1 3.94Å; L429-L538 HydrophobicContact CD2-CG 4.49Å; L429-L538 PolarHBondContact N-O 3.31Å; L429-L538 VanDerWaalsContact N-O 3.15Å; L494-L538 HydrophobicContact CD1-CD1 4.24Å; L494-L538 HydrophobicContact CD2-CD1 4.35Å; M508-L538 HydrophobicContact CE-CD1 4.2Å; M508-L538 HydrophobicContact CE-CD2 3.54Å; M508-L538 HydrophobicContact CE-CG 3.67Å; M508-L538 HydrophobicContact SD-CD1 3.61Å; M508-L538 HydrophobicContact SD-CD2 3.83Å; M508-L538 HydrophobicContact SD-CG 3.79Å; V511-L538 HydrophobicContact CG1-CD2 3.65Å; L515-L538 HydrophobicContact CD1-CD2 3.93Å; V533-L538 HydrophobicContact CB-CD1 4.3Å; T535-L538 PolarHBondContact O-N 3.38Å; T535-L538 WeakPolarHBondContact OG1-CG 3.43Å; T535-L538 PolarHBondContact OG1-N 3.14Å; L538-P540 VanDerWaalsContact C-N 3.32Å
539	K	93.8	Very high	90.1	Very high	37 Å²	37	30.4 Å²	30.4	16%	0.161	15%	0.152	C	C	.	.			trans	39.7	56.5	-175	-61.5	-176.2	168.7	73.1	0	111.9	Y419 R428 T535 H536 W629	Y419-K539 HydrophobicContact CD1-CD 4.37Å; Y419-K539 HydrophobicContact CE1-CD 3.81Å; Y419-K539 HydrophobicContact CE2-CD 4.25Å; R428-K539 WeakPolarHBondContact CB-O 3.33Å; R428-K539 HydrophobicContact CG-CB 4.34Å; R428-K539 PolarHBondContact NE-O 2.81Å; R428-K539 PolarHBondContact NH2-O 3.16Å; T535-K539 PolarHBondContact O-N 3.21Å; H536-K539 VanDerWaalsContact O-CG 3.3Å; H536-K539 WeakPolarHBondContact O-CG 3.26Å; H536-K539 PolarHBondContact O-NZ 2.54Å; K539-W629 HydrophobicContact CB-CE3 3.88Å; K539-W629 HydrophobicContact CB-CZ3 4.13Å; K539-W629 WeakPolarHBondContact CE-O 3.47Å; K539-W629 HydrophobicContact CG-CE3 3.94Å; K539-W629 PolarHBondContact NZ-O 3.4Å
540	P	95.7	Very high	90.2	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.006	15%	0.15	C	C	.	.			trans	-57.1	150.7	-168.7	26.8	-37.1	0	0	0	111.6	R428 L429 V431 V533 R534 L538 V542 W629	R428-P540 PolarHBondContact NH2-O 3.49Å; L429-P540 HydrophobicContact CB-CB 4.49Å; L429-P540 HydrophobicContact CD2-CB 4.46Å; L429-P540 CarbonylContact O-C 3.57Å; L429-P540 WeakPolarHBondContact O-CA 3.17Å; V431-P540 HydrophobicContact CG2-CB 3.92Å; V533-P540 HydrophobicContact CG2-CB 4.49Å; V533-P540 HydrophobicContact CG2-CG 4.3Å; V533-P540 VanDerWaalsContact O-CD 3.28Å; V533-P540 WeakPolarHBondContact O-CD 3.49Å; V533-P540 WeakPolarHBondContact O-CG 3.38Å; R534-P540 HydrophobicContact CG-CG 4.2Å; L538-P540 VanDerWaalsContact C-N 3.32Å; P540-V542 HydrophobicContact CB-CG2 4.49Å; P540-W629 HydrophobicContact CG-CH2 3.88Å; P540-W629 HydrophobicContact CG-CZ2 4.36Å
541	Y	97.1	Very high	90.1	Very high	10 Å²	10	39.9 Å²	39.9	4%	0.039	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	114.7	166.7	-168.6	-90.3	0	0	0	108.2	L429 V431 I543 D596 H597 A618 Q623	L429-Y541 PolarHBondContact O-N 2.99Å; V431-Y541 PolarHBondContact N-O 3.35Å; Y541-I543 HydrophobicContact CD1-CD1 4.09Å; Y541-I543 HydrophobicContact CD1-CG1 3.74Å; Y541-I543 HydrophobicContact CE1-CD1 4.23Å; Y541-I543 HydrophobicContact CE1-CG1 3.87Å; Y541-D596 WeakPolarHBondContact CA-OD2 3.32Å; Y541-D596 HydrophobicContact CD1-CB 4.2Å; Y541-D596 HydrophobicContact CD2-CB 3.75Å; Y541-D596 HydrophobicContact CE1-CB 3.95Å; Y541-D596 HydrophobicContact CE2-CB 3.51Å; Y541-D596 HydrophobicContact CG-CB 4.12Å; Y541-H597 HydrophobicContact CE1-CB 4.03Å; Y541-A618 HydrophobicContact CD1-CB 3.54Å; Y541-A618 HydrophobicContact CD2-CB 3.53Å; Y541-A618 HydrophobicContact CE1-CB 3.86Å; Y541-A618 HydrophobicContact CE2-CB 3.83Å; Y541-A618 HydrophobicContact CG-CB 3.34Å; Y541-Q623 HydrophobicContact CD2-CG 4.45Å; Y541-Q623 HydrophobicContact CE2-CG 4.01Å
542	V	96.6	Very high	90.1	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.012	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	116.8	-166.2	179.1	0	0	0	0	110.2	V431 M433 I530 P540 F594 F595 D596 H597	V431-V542 HydrophobicContact CB-CG2 4.34Å; M433-V542 HydrophobicContact CE-CB 4.42Å; M433-V542 HydrophobicContact CE-CG1 3.17Å; M433-V542 HydrophobicContact CE-CG2 4.45Å; I530-V542 HydrophobicContact CD1-CG1 4.22Å; I530-V542 HydrophobicContact CD1-CG2 4.42Å; P540-V542 HydrophobicContact CB-CG2 4.49Å; V542-F594 VanDerWaalsContact CB-O 3.24Å; V542-F594 WeakPolarHBondContact CB-O 3.24Å; V542-F595 HydrophobicContact CG1-CD1 3.72Å; V542-F595 HydrophobicContact CG1-CE1 4.45Å; V542-D596 PolarHBondContact N-OD2 3.23Å; V542-D596 PolarHBondContact O-N 2.8Å; V542-H597 PolarHBondContact O-N 3.35Å; V542-H597 VanDerWaalsContact O-N 3.13Å
543	I	97.8	Very high	90.1	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	113.2	-179.4	-53.5	177.4	0	0	0	108.7	I430 V431 L432 M433 Y541 H597 I599 L611 A614 I615	I430-I543 HydrophobicContact CG2-CD1 4.02Å; V431-I543 PolarHBondContact O-N 3.34Å; L432-I543 HydrophobicContact CD2-CB 4.01Å; L432-I543 HydrophobicContact CD2-CD1 4.3Å; M433-I543 PolarHBondContact N-O 2.77Å; Y541-I543 HydrophobicContact CD1-CD1 4.09Å; Y541-I543 HydrophobicContact CD1-CG1 3.74Å; Y541-I543 HydrophobicContact CE1-CD1 4.23Å; Y541-I543 HydrophobicContact CE1-CG1 3.87Å; I543-H597 CarbonylContact C-O 3.52Å; I543-H597 WeakPolarHBondContact CA-O 3.36Å; I543-H597 HydrophobicContact CG1-CB 4.44Å; I543-I599 HydrophobicContact CG2-CD1 3.63Å; I543-I599 HydrophobicContact CG2-CG1 3.95Å; I543-L611 HydrophobicContact CD1-CD1 3.58Å; I543-L611 HydrophobicContact CG2-CD1 4.36Å; I543-A614 HydrophobicContact CD1-CB 3.97Å; I543-I615 HydrophobicContact CD1-CG1 4.14Å
544	F	97.4	Very high	89.8	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	120.6	174.8	-179.2	-122.8	0	0	0	110.7	M433 K546 M587 E588 F595 H597 V598 I599	M433-F544 HydrophobicContact CB-CD2 4.32Å; M433-F544 CarbonylContact O-C 3.42Å; M433-F544 WeakPolarHBondContact O-CA 3.43Å; F544-K546 HydrophobicContact CD1-CB 4.12Å; F544-K546 HydrophobicContact CE1-CB 3.62Å; F544-K546 HydrophobicContact CE1-CD 4.13Å; F544-K546 HydrophobicContact CE1-CG 4.45Å; F544-K546 HydrophobicContact CZ-CB 4.09Å; F544-M587 HydrophobicContact CE2-CB 3.87Å; F544-M587 HydrophobicContact CE2-CE 4.04Å; F544-M587 HydrophobicContact CE2-SD 4.1Å; F544-M587 HydrophobicContact CZ-CB 3.98Å; F544-E588 HydrophobicContact CE1-CB 4.12Å; F544-E588 HydrophobicContact CE1-CG 4.44Å; F544-F595 HydrophobicContact CB-CB 4.13Å; F544-F595 HydrophobicContact CB-CD1 4.05Å; F544-F595 HydrophobicContact CB-CD2 3.37Å; F544-F595 HydrophobicContact CB-CE1 4.31Å; F544-F595 HydrophobicContact CB-CE2 3.68Å; F544-F595 HydrophobicContact CB-CG 3.59Å; F544-F595 HydrophobicContact CB-CZ 4.14Å; F544-F595 AromaticContact CD1-CD2 3.72Å; F544-F595 HydrophobicContact CD1-CD2 3.72Å; F544-F595 AromaticContact CD1-CE2 3.54Å; F544-F595 HydrophobicContact CD1-CE2 3.54Å; F544-F595 HydrophobicContact CD1-CZ 4.44Å; F544-F595 HydrophobicContact CD2-CD2 4.25Å; F544-F595 HydrophobicContact CD2-CE1 4.36Å; F544-F595 AromaticContact CD2-CE2 3.62Å; F544-F595 HydrophobicContact CD2-CE2 3.62Å; F544-F595 AromaticContact CD2-CZ 3.69Å; F544-F595 HydrophobicContact CD2-CZ 3.69Å; F544-F595 AromaticContact CE1-CE2 4Å; F544-F595 HydrophobicContact CE1-CE2 4Å; F544-F595 HydrophobicContact CE2-CE2 4.08Å; F544-F595 HydrophobicContact CE2-CZ 4.15Å; F544-F595 AromaticContact CG-CD2 3.54Å; F544-F595 HydrophobicContact CG-CD2 3.54Å; F544-F595 HydrophobicContact CG-CE1 4.48Å; F544-F595 AromaticContact CG-CE2 3.33Å; F544-F595 HydrophobicContact CG-CE2 3.33Å; F544-F595 HydrophobicContact CG-CG 4.22Å; F544-F595 AromaticContact CG-CZ 3.86Å; F544-F595 HydrophobicContact CG-CZ 3.86Å; F544-F595 HydrophobicContact CZ-CE2 4.25Å; F544-H597 PolarHBondContact N-O 2.67Å; F544-V598 HydrophobicContact CB-CG2 4.36Å; F544-V598 HydrophobicContact CD1-CG1 4.02Å; F544-V598 HydrophobicContact CD1-CG2 4.34Å; F544-V598 CarbonylContact O-C 3.59Å; F544-V598 VanDerWaalsContact O-CA 3.28Å; F544-V598 WeakPolarHBondContact O-CA 3.41Å; F544-I599 PolarHBondContact O-N 2.84Å
545	I	95.4	Very high	89.3	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	113.1	177.8	-61.6	162.2	0	0	0	107.1	L432 M433 G434 P435 V438 V440 L443 I599 N601	L432-I545 HydrophobicContact CB-CD1 4.29Å; L432-I545 HydrophobicContact CD1-CD1 4.46Å; L432-I545 HydrophobicContact CD2-CD1 4.44Å; M433-I545 PolarHBondContact O-N 2.99Å; G434-I545 WeakPolarHBondContact CA-O 3.49Å; P435-I545 WeakPolarHBondContact CD-O 2.99Å; V438-I545 HydrophobicContact CG1-CB 4.31Å; V438-I545 HydrophobicContact CG1-CG2 3.89Å; V438-I545 HydrophobicContact CG2-CG2 4.05Å; V440-I545 HydrophobicContact CB-CD1 4.29Å; V440-I545 HydrophobicContact CG1-CD1 4.49Å; V440-I545 HydrophobicContact CG2-CB 4.07Å; V440-I545 HydrophobicContact CG2-CD1 3.72Å; V440-I545 HydrophobicContact CG2-CG1 4.45Å; L443-I545 HydrophobicContact CD1-CD1 3.69Å; L443-I545 HydrophobicContact CD1-CG1 4.28Å; L443-I545 HydrophobicContact CD1-CG2 4.05Å; I545-I599 CarbonylContact C-O 3.54Å; I545-I599 WeakPolarHBondContact CA-O 3.45Å; I545-N601 HydrophobicContact CG2-CB 3.78Å
546	K	94	Very high	88.7	Confident	53 Å²	53	47 Å²	47	23%	0.23	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	151.2	-178.9	74	178.2	-179	-178.4	0	112.4	F544 E588 V598 I599 V600 N601	F544-K546 HydrophobicContact CD1-CB 4.12Å; F544-K546 HydrophobicContact CE1-CB 3.62Å; F544-K546 HydrophobicContact CE1-CD 4.13Å; F544-K546 HydrophobicContact CE1-CG 4.45Å; F544-K546 HydrophobicContact CZ-CB 4.09Å; K546-E588 IonicContact NZ-OE1 3.51Å; K546-E588 PolarHBondContact NZ-OE1 2.93Å; K546-E588 IonicContact NZ-OE2 3.56Å; K546-E588 PolarHBondContact NZ-OE2 3.37Å; K546-V598 HydrophobicContact CD-CG1 3.69Å; K546-V598 HydrophobicContact CG-CG1 3.93Å; K546-I599 PolarHBondContact N-O 2.69Å; K546-V600 HydrophobicContact CG-CG2 4Å; K546-V600 WeakPolarHBondContact O-CA 3.41Å; K546-N601 PolarHBondContact O-N 2.76Å
547	P	90.8	Very high	88	Confident	13 Å²	13	44 Å²	44	8%	0.084	21%	0.209	C	C	.	.			trans	-68	157.7	173.1	28.9	-34.8	0	0	0	111.9	V438 M553 M580 A584	V438-P547 HydrophobicContact CG2-CB 4.32Å; P547-M553 HydrophobicContact CB-CE 4.24Å; P547-M553 HydrophobicContact CB-CG 4.27Å; P547-M553 HydrophobicContact CB-SD 3.38Å; P547-M553 WeakPolarHBondContact CB-SD 3.37Å; P547-M553 HydrophobicContact CG-SD 4.39Å; P547-M580 HydrophobicContact CB-CG 4.34Å; P547-M580 HydrophobicContact CB-SD 4.12Å; P547-M580 HydrophobicContact CG-CG 4.16Å; P547-A584 VanDerWaalsContact CD-CB 3.48Å; P547-A584 HydrophobicContact CG-CB 3.76Å
548	S	88.2	Confident	87	Confident	8 Å²	8	45.9 Å²	45.9	6%	0.056	22%	0.215	C	C	.	.			trans	-66.1	174.9	158.3	44.3	0	0	0	0	112.1	C552 M553 D602	S548-C552 WeakPolarHBondContact OG-CB 3.34Å; S548-M553 WeakPolarHBondContact O-CE 3.28Å; S548-M553 WeakPolarHBondContact O-CG 3.48Å; S548-M553 VanDerWaalsContact OG-CG 3.28Å; S548-M553 WeakPolarHBondContact OG-CG 3.29Å; S548-M553 PolarHBondContact OG-N 3.24Å; S548-D602 WeakPolarHBondContact CB-OD1 3.14Å; S548-D602 PolarHBondContact OG-OD1 3.05Å
549	N	85	Confident	85.6	Confident	87 Å²	87	52.7 Å²	52.7	47%	0.465	25%	0.252	S	S	.	.			trans	-50.6	153.9	161.9	68.1	61	0	0	0	113	R551 C552 M553	N549-R551 VanDerWaalsContact C-N 3.26Å; N549-R551 PolarHBondContact O-N 2.79Å; N549-R551 VanDerWaalsContact O-N 3.15Å; N549-R551 PolarHBondContact OD1-N 3.35Å; N549-C552 PolarHBondContact O-N 2.92Å; N549-C552 VanDerWaalsContact O-N 3.13Å; N549-C552 WeakPolarHBondContact OD1-CB 3.49Å; N549-C552 PolarHBondContact OD1-N 2.82Å; N549-C552 PolarHBondContact OD1-SG 3.44Å; N549-C552 VanDerWaalsContact OD1-SG 3.41Å; N549-M553 PolarHBondContact O-N 3.09Å
550	M	82.8	Confident	84.2	Confident	34 Å²	34	52.7 Å²	52.7	17%	0.167	26%	0.258	C	S	.	.	H	α-helix	trans	-46	-44.5	179	-176.6	58.7	63.6	0	0	114.5	M553 K554 L577 Q578	M550-M553 HydrophobicContact CE-CE 4.23Å; M550-M553 PolarHBondContact O-N 3.24Å; M550-M553 HydrophobicContact SD-CE 4.37Å; M550-K554 HydrophobicContact CG-CD 4.47Å; M550-K554 WeakPolarHBondContact O-CG 3.42Å; M550-K554 PolarHBondContact O-N 2.77Å; M550-K554 HydrophobicContact SD-CG 4.37Å; M550-L577 HydrophobicContact CE-CB 3.92Å; M550-L577 HydrophobicContact SD-CB 3.6Å; M550-L577 HydrophobicContact SD-CD1 4.19Å; M550-Q578 VanDerWaalsContact CE-CA 3.48Å; M550-Q578 HydrophobicContact CE-CB 3.89Å; M550-Q578 VanDerWaalsContact CE-OE1 3.29Å
551	R	81.4	Confident	82.6	Confident	203 Å²	203	57.7 Å²	57.7	77%	0.766	28%	0.28	S	S	*	.	H	α-helix	trans	-65	-44	-176.7	-178	179.7	172.9	173.7	-1.2	111.9	N549 Q555	N549-R551 VanDerWaalsContact C-N 3.26Å; N549-R551 PolarHBondContact O-N 2.79Å; N549-R551 VanDerWaalsContact O-N 3.15Å; N549-R551 PolarHBondContact OD1-N 3.35Å; R551-Q555 PolarHBondContact O-N 3.23Å
552	C	80.9	Confident	80.9	Confident	45 Å²	45	58.1 Å²	58.1	30%	0.304	28%	0.283	S	S	.	.	H	α-helix	trans	-66.6	-41.9	176.8	-73.9	0	0	0	0	111.1	S548 N549 K554 Q555 S556	S548-C552 WeakPolarHBondContact OG-CB 3.34Å; N549-C552 PolarHBondContact O-N 2.92Å; N549-C552 VanDerWaalsContact O-N 3.13Å; N549-C552 WeakPolarHBondContact OD1-CB 3.49Å; N549-C552 PolarHBondContact OD1-N 2.82Å; N549-C552 PolarHBondContact OD1-SG 3.44Å; N549-C552 VanDerWaalsContact OD1-SG 3.41Å; C552-K554 PolarHBondContact O-N 3.31Å; C552-Q555 PolarHBondContact O-N 3.03Å; C552-Q555 VanDerWaalsContact O-N 3.1Å; C552-S556 PolarHBondContact O-N 3.48Å; C552-S556 PolarHBondContact O-OG 2.95Å; C552-S556 VanDerWaalsContact O-OG 3.14Å
553	M	82.8	Confident	78.7	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-60.2	-44.9	177.2	-71.4	-164.2	-76.3	0	0	112.5	P547 S548 N549 M550 Q555 S556 R557 L577 M580 E581	P547-M553 HydrophobicContact CB-CE 4.24Å; P547-M553 HydrophobicContact CB-CG 4.27Å; P547-M553 HydrophobicContact CB-SD 3.38Å; P547-M553 WeakPolarHBondContact CB-SD 3.37Å; P547-M553 HydrophobicContact CG-SD 4.39Å; S548-M553 WeakPolarHBondContact O-CE 3.28Å; S548-M553 WeakPolarHBondContact O-CG 3.48Å; S548-M553 VanDerWaalsContact OG-CG 3.28Å; S548-M553 WeakPolarHBondContact OG-CG 3.29Å; S548-M553 PolarHBondContact OG-N 3.24Å; N549-M553 PolarHBondContact O-N 3.09Å; M550-M553 HydrophobicContact CE-CE 4.23Å; M550-M553 PolarHBondContact O-N 3.24Å; M550-M553 HydrophobicContact SD-CE 4.37Å; M553-Q555 PolarHBondContact O-N 3.44Å; M553-S556 PolarHBondContact O-N 3.44Å; M553-S556 PolarHBondContact O-OG 2.83Å; M553-R557 WeakPolarHBondContact O-CB 3.1Å; M553-R557 WeakPolarHBondContact O-CG 3.11Å; M553-R557 PolarHBondContact O-N 3.27Å; M553-L577 HydrophobicContact CB-CD1 4.25Å; M553-L577 HydrophobicContact CB-CD2 4.12Å; M553-L577 HydrophobicContact CE-CB 4.2Å; M553-L577 WeakPolarHBondContact CE-O 3.25Å; M553-L577 HydrophobicContact SD-CD2 4.16Å; M553-M580 HydrophobicContact SD-SD 4.19Å; M553-E581 HydrophobicContact CE-CB 4.24Å
554	K	81.1	Confident	76.1	Confident	87 Å²	87	65.9 Å²	65.9	38%	0.378	32%	0.324	S	S	.	.	H	α-helix	trans	-58.1	-33.4	176.5	-74.3	-176.5	-177.2	-157.6	0	112.3	M550 C552 K558 D574 L577	M550-K554 HydrophobicContact CG-CD 4.47Å; M550-K554 WeakPolarHBondContact O-CG 3.42Å; M550-K554 PolarHBondContact O-N 2.77Å; M550-K554 HydrophobicContact SD-CG 4.37Å; C552-K554 PolarHBondContact O-N 3.31Å; K554-K558 WeakPolarHBondContact O-CB 3.09Å; K554-K558 PolarHBondContact O-N 2.95Å; K554-D574 VanDerWaalsContact CE-CG 3.49Å; K554-D574 WeakPolarHBondContact CE-OD1 3.48Å; K554-D574 IonicContact NZ-OD1 2.66Å; K554-D574 PolarHBondContact NZ-OD1 3.29Å; K554-D574 VanDerWaalsContact NZ-OD1 3.1Å; K554-D574 IonicContact NZ-OD2 2.59Å; K554-D574 PolarHBondContact NZ-OD2 2.94Å; K554-L577 HydrophobicContact CG-CD1 3.66Å
555	Q	78.7	Confident	73.3	Confident	151 Å²	151	69.1 Å²	69.1	71%	0.706	34%	0.341	S	S	*	.	H	α-helix	trans	-82.1	-46.3	-179.7	-168.9	168.9	0.6	0	0	112.3	R551 C552 M553	R551-Q555 PolarHBondContact O-N 3.23Å; C552-Q555 PolarHBondContact O-N 3.03Å; C552-Q555 VanDerWaalsContact O-N 3.1Å; M553-Q555 PolarHBondContact O-N 3.44Å
556	S	74.5	Confident	70.4	Confident	55 Å²	55	72.8 Å²	72.8	39%	0.385	36%	0.355	S	S	.	.	H	α-helix	trans	-72.2	-31.8	-178.7	60.7	0	0	0	0	112.8	C552 M553 D602	C552-S556 PolarHBondContact O-N 3.48Å; C552-S556 PolarHBondContact O-OG 2.95Å; C552-S556 VanDerWaalsContact O-OG 3.14Å; M553-S556 PolarHBondContact O-N 3.44Å; M553-S556 PolarHBondContact O-OG 2.83Å; S556-D602 WeakPolarHBondContact CB-O 3.46Å; S556-D602 PolarHBondContact OG-O 2.98Å
557	R	73.3	Confident	67.9	Low	23 Å²	23	78.6 Å²	78.6	9%	0.087	38%	0.381	C	S	.	.	S	Bend	trans	-101.8	6	-174.7	-57.5	172.6	179.6	-126.9	-7.1	114.1	G437 V438 M553 N559 A560 F572 M580	G437-R557 PolarHBondContact O-NH1 2.72Å; V438-R557 PolarHBondContact O-NH2 3.38Å; M553-R557 WeakPolarHBondContact O-CB 3.1Å; M553-R557 WeakPolarHBondContact O-CG 3.11Å; M553-R557 PolarHBondContact O-N 3.27Å; R557-N559 PolarHBondContact O-N 2.87Å; R557-N559 VanDerWaalsContact O-N 3.09Å; R557-A560 HydrophobicContact CB-CB 3.97Å; R557-A560 HydrophobicContact CG-CB 4.34Å; R557-A560 PolarHBondContact O-N 3.31Å; R557-F572 HydrophobicContact CB-CD2 4.06Å; R557-F572 HydrophobicContact CB-CE2 4.49Å; R557-M580 VanDerWaalsContact NH1-CE 3.25Å; R557-M580 PolarHBondContact NH1-SD 2.7Å
558	K	67.1	Low	65.6	Low	154 Å²	154	81.4 Å²	81.4	67%	0.67	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	-35.1	179.1	-168.5	175.6	-178.7	179.3	0	113.7	K554	K554-K558 WeakPolarHBondContact O-CB 3.09Å; K554-K558 PolarHBondContact O-N 2.95Å
559	N	63.4	Low	63.8	Low	144 Å²	144	86.6 Å²	86.6	77%	0.77	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.1	-1.3	178.5	-59.9	-28.6	0	0	0	112.5	R557	R557-N559 PolarHBondContact O-N 2.87Å; R557-N559 VanDerWaalsContact O-N 3.09Å
560	A	63.9	Low	62.7	Low	36 Å²	36	86.6 Å²	86.6	30%	0.298	42%	0.423	S	S	.	.			trans	-76.9	138.6	177	0	0	0	0	0	108.7	R557 F572	R557-A560 HydrophobicContact CB-CB 3.97Å; R557-A560 HydrophobicContact CG-CB 4.34Å; R557-A560 PolarHBondContact O-N 3.31Å; A560-F572 HydrophobicContact CB-CD2 4.44Å; A560-F572 HydrophobicContact CB-CE2 4.18Å
561	K	63.4	Low	62.1	Low	106 Å²	106	92.2 Å²	92.2	46%	0.461	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	143	178.4	-52.8	-170.2	-169.3	171.1	0	108.5	I563 D569	K561-I563 PolarHBondContact O-N 3.49Å; K561-I563 VanDerWaalsContact O-N 3.11Å; K561-D569 HydrophobicContact CD-CB 3.84Å; K561-D569 WeakPolarHBondContact CD-OD1 3.25Å; K561-D569 IonicContact NZ-OD1 3.15Å; K561-D569 PolarHBondContact NZ-OD1 2.91Å; K561-D569 VanDerWaalsContact NZ-OD1 3.12Å; K561-D569 IonicContact NZ-OD2 3.89Å; K561-D569 PolarHBondContact NZ-OD2 3.34Å
562	I	59.7	Low	61.7	Low	20 Å²	20	84.3 Å²	84.3	10%	0.103	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	108.6	168.5	-61.4	171.7	0	0	0	105.9	T564 M570 F572	I562-T564 HydrophobicContact CG2-CG2 3.77Å; I562-T564 PolarHBondContact O-N 3.44Å; I562-T564 VanDerWaalsContact O-N 3.1Å; I562-M570 HydrophobicContact CB-CB 4.49Å; I562-M570 HydrophobicContact CD1-CB 4.4Å; I562-M570 PolarHBondContact N-O 3.04Å; I562-F572 HydrophobicContact CD1-CD1 3.97Å; I562-F572 HydrophobicContact CD1-CE1 4.17Å; I562-F572 HydrophobicContact CD1-CG 4.29Å; I562-F572 HydrophobicContact CG1-CD1 3.79Å; I562-F572 HydrophobicContact CG1-CD2 3.98Å; I562-F572 HydrophobicContact CG1-CE1 3.63Å; I562-F572 HydrophobicContact CG1-CE2 3.82Å; I562-F572 HydrophobicContact CG1-CG 3.96Å; I562-F572 HydrophobicContact CG1-CZ 3.66Å
563	I	51.3	Low	61.8	Low	141 Å²	141	87.5 Å²	87.5	72%	0.723	43%	0.427	S	S	*	.			trans	-76.9	98.5	171.9	-56	172.9	0	0	0	106.3	K561	K561-I563 PolarHBondContact O-N 3.49Å; K561-I563 VanDerWaalsContact O-N 3.11Å
564	T	44	Very low	61.8	Low	23 Å²	23	91.9 Å²	91.9	14%	0.141	45%	0.45	C	S	.	.			trans	-99.5	150.7	163	47.1	0	0	0	0	109.8	R388 I562 Y566	R388-T564 VanDerWaalsContact NH1-CG2 3.28Å; I562-T564 HydrophobicContact CG2-CG2 3.77Å; I562-T564 PolarHBondContact O-N 3.44Å; I562-T564 VanDerWaalsContact O-N 3.1Å; T564-Y566 CarbonylContact C-O 3.58Å; T564-Y566 CarbonylContact O-C 3.56Å; T564-Y566 PolarHBondContact O-N 3.22Å; T564-Y566 PolarHBondContact OG1-O 3.33Å
565	D	37.3	Very low	61.9	Low	69 Å²	69	94.1 Å²	94.1	37%	0.369	46%	0.462	S	S	.	.	S	Bend	trans	-61.6	-8.2	172.3	-73.1	12	0	0	0	113.1	R381 L385	R381-D565 WeakPolarHBondContact CA-OD2 3.09Å; R381-D565 WeakPolarHBondContact CG-OD2 3.31Å; R381-D565 PolarHBondContact N-OD2 3Å; L385-D565 HydrophobicContact CD1-CB 3.64Å; L385-D565 WeakPolarHBondContact CD1-OD2 3.28Å
566	Y	35.6	Very low	61.9	Low	76 Å²	76	89.2 Å²	89.2	30%	0.298	44%	0.44	S	S	.	.	S	Bend	trans	-94.6	118.7	165.5	-59.8	-81.8	0	0	0	106.9	Y499 K500 T564 V568	Y499-Y566 WeakPolarHBondContact OH-CE2 3.41Å; Y499-Y566 PolarHBondContact OH-OH 3.01Å; K500-Y566 VanDerWaalsContact CE-OH 3.24Å; K500-Y566 WeakPolarHBondContact CE-OH 3.45Å; K500-Y566 PolarHBondContact NZ-OH 3.16Å; T564-Y566 CarbonylContact C-O 3.58Å; T564-Y566 CarbonylContact O-C 3.56Å; T564-Y566 PolarHBondContact O-N 3.22Å; T564-Y566 PolarHBondContact OG1-O 3.33Å; Y566-V568 PolarHBondContact O-N 3.15Å
567	F	40.9	Very low	62.4	Low	176 Å²	176	86.9 Å²	86.9	77%	0.772	42%	0.423	S	S	*	.			trans	-62.7	57.6	-179	-66.4	-89.9	0	0	0	113.4
568	V	42.8	Very low	63	Low	71 Å²	71	89.7 Å²	89.7	43%	0.43	44%	0.438	S	S	.	.			trans	-116	108.1	173	-166.2	0	0	0	0	106.9	Y566 M570	Y566-V568 PolarHBondContact O-N 3.15Å; V568-M570 HydrophobicContact CB-CG 4.15Å; V568-M570 HydrophobicContact CG1-CG 3.61Å; V568-M570 HydrophobicContact CG1-SD 4.34Å; V568-M570 PolarHBondContact O-N 2.91Å
569	D	50.5	Low	63.8	Low	118 Å²	118	87 Å²	87	63%	0.631	43%	0.427	S	S	*	.			trans	-63.8	74.5	170.9	-85.6	-27.1	0	0	0	110.2	K561	K561-D569 HydrophobicContact CD-CB 3.84Å; K561-D569 WeakPolarHBondContact CD-OD1 3.25Å; K561-D569 IonicContact NZ-OD1 3.15Å; K561-D569 PolarHBondContact NZ-OD1 2.91Å; K561-D569 VanDerWaalsContact NZ-OD1 3.12Å; K561-D569 IonicContact NZ-OD2 3.89Å; K561-D569 PolarHBondContact NZ-OD2 3.34Å
570	M	60.9	Low	64.9	Low	86 Å²	86	80.3 Å²	80.3	42%	0.424	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	124.9	176	-67.6	-171.2	71.8	0	0	109.8	I562 V568	I562-M570 HydrophobicContact CB-CB 4.49Å; I562-M570 HydrophobicContact CD1-CB 4.4Å; I562-M570 PolarHBondContact N-O 3.04Å; V568-M570 HydrophobicContact CB-CG 4.15Å; V568-M570 HydrophobicContact CG1-CG 3.61Å; V568-M570 HydrophobicContact CG1-SD 4.34Å; V568-M570 PolarHBondContact O-N 2.91Å
571	K	70.1	Confident	66	Low	153 Å²	153	81.3 Å²	81.3	67%	0.665	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74	144.4	167.9	-65.2	-178.6	-179.3	177.5	0	108.7	K573	K571-K573 PolarHBondContact O-N 3.46Å
572	F	74.5	Confident	67.1	Low	37 Å²	37	79.5 Å²	79.5	16%	0.162	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-57.6	126.2	171.4	-73.1	-86.5	0	0	0	110.3	R557 A560 I562 D576 L577 M580	R557-F572 HydrophobicContact CB-CD2 4.06Å; R557-F572 HydrophobicContact CB-CE2 4.49Å; A560-F572 HydrophobicContact CB-CD2 4.44Å; A560-F572 HydrophobicContact CB-CE2 4.18Å; I562-F572 HydrophobicContact CD1-CD1 3.97Å; I562-F572 HydrophobicContact CD1-CE1 4.17Å; I562-F572 HydrophobicContact CD1-CG 4.29Å; I562-F572 HydrophobicContact CG1-CD1 3.79Å; I562-F572 HydrophobicContact CG1-CD2 3.98Å; I562-F572 HydrophobicContact CG1-CE1 3.63Å; I562-F572 HydrophobicContact CG1-CE2 3.82Å; I562-F572 HydrophobicContact CG1-CG 3.96Å; I562-F572 HydrophobicContact CG1-CZ 3.66Å; F572-D576 HydrophobicContact CD1-CB 4.27Å; F572-L577 HydrophobicContact CB-CD2 4.03Å; F572-L577 HydrophobicContact CB-CG 4.31Å; F572-L577 HydrophobicContact CD1-CD2 3.96Å; F572-L577 HydrophobicContact CG-CD2 4.15Å; F572-M580 HydrophobicContact CD1-CE 4.27Å; F572-M580 HydrophobicContact CE1-CE 3.7Å
573	K	81.5	Confident	68.3	Low	112 Å²	112	80.5 Å²	80.5	49%	0.487	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-84	162.6	167.1	-61.6	-177.7	-178.8	178.1	0	110.2	K571 E575 D576 L577	K571-K573 PolarHBondContact O-N 3.46Å; K573-E575 WeakPolarHBondContact CB-OE2 3.24Å; K573-E575 WeakPolarHBondContact CD-OE2 3.22Å; K573-E575 PolarHBondContact O-N 3.02Å; K573-D576 WeakPolarHBondContact CB-OD2 3.42Å; K573-D576 PolarHBondContact N-OD2 3.46Å; K573-D576 PolarHBondContact O-N 2.94Å; K573-L577 WeakPolarHBondContact O-CG 3.37Å; K573-L577 PolarHBondContact O-N 3.26Å
574	D	82.4	Confident	70.1	Confident	92 Å²	92	74.1 Å²	74.1	49%	0.492	36%	0.359	S	S	.	.	H	α-helix	trans	-61.3	-34.6	175.4	-80.1	-2.5	0	0	0	111.5	K554 L577 Q578	K554-D574 VanDerWaalsContact CE-CG 3.49Å; K554-D574 WeakPolarHBondContact CE-OD1 3.48Å; K554-D574 IonicContact NZ-OD1 2.66Å; K554-D574 PolarHBondContact NZ-OD1 3.29Å; K554-D574 VanDerWaalsContact NZ-OD1 3.1Å; K554-D574 IonicContact NZ-OD2 2.59Å; K554-D574 PolarHBondContact NZ-OD2 2.94Å; D574-L577 PolarHBondContact O-N 2.87Å; D574-Q578 PolarHBondContact O-N 2.96Å; D574-Q578 VanDerWaalsContact O-N 3.08Å
575	E	83.1	Confident	72.1	Confident	133 Å²	133	79 Å²	79	62%	0.621	38%	0.381	S	S	*	.	H	α-helix	trans	-62.3	-44.7	174.5	-58.9	99	-158.6	0	0	111.9	K573 L577 Q578 E579	K573-E575 WeakPolarHBondContact CB-OE2 3.24Å; K573-E575 WeakPolarHBondContact CD-OE2 3.22Å; K573-E575 PolarHBondContact O-N 3.02Å; E575-L577 VanDerWaalsContact C-N 3.28Å; E575-L577 PolarHBondContact O-N 3.34Å; E575-Q578 PolarHBondContact O-N 3.37Å; E575-Q578 VanDerWaalsContact O-N 3.14Å; E575-E579 WeakPolarHBondContact O-CB 3.22Å; E575-E579 PolarHBondContact O-N 3.43Å
576	D	80.2	Confident	74.3	Confident	49 Å²	49	82 Å²	82	26%	0.262	39%	0.387	S	S	.	.	H	α-helix	trans	-61.4	-37.9	179.5	-56.7	-42.1	0	0	0	111.6	F572 K573 M580	F572-D576 HydrophobicContact CD1-CB 4.27Å; K573-D576 WeakPolarHBondContact CB-OD2 3.42Å; K573-D576 PolarHBondContact N-OD2 3.46Å; K573-D576 PolarHBondContact O-N 2.94Å; D576-M580 WeakPolarHBondContact O-CB 3.46Å; D576-M580 PolarHBondContact O-N 3.22Å
577	L	85.2	Confident	76.7	Confident	5 Å²	5	79.4 Å²	79.4	3%	0.026	38%	0.377	C	S	.	.	H	α-helix	trans	-69.9	-37.5	177.7	-63.3	-178.9	0	0	0	111.4	M550 M553 K554 F572 K573 D574 E575 M580 E581	M550-L577 HydrophobicContact CE-CB 3.92Å; M550-L577 HydrophobicContact SD-CB 3.6Å; M550-L577 HydrophobicContact SD-CD1 4.19Å; M553-L577 HydrophobicContact CB-CD1 4.25Å; M553-L577 HydrophobicContact CB-CD2 4.12Å; M553-L577 HydrophobicContact CE-CB 4.2Å; M553-L577 WeakPolarHBondContact CE-O 3.25Å; M553-L577 HydrophobicContact SD-CD2 4.16Å; K554-L577 HydrophobicContact CG-CD1 3.66Å; F572-L577 HydrophobicContact CB-CD2 4.03Å; F572-L577 HydrophobicContact CB-CG 4.31Å; F572-L577 HydrophobicContact CD1-CD2 3.96Å; F572-L577 HydrophobicContact CG-CD2 4.15Å; K573-L577 WeakPolarHBondContact O-CG 3.37Å; K573-L577 PolarHBondContact O-N 3.26Å; D574-L577 PolarHBondContact O-N 2.87Å; E575-L577 VanDerWaalsContact C-N 3.28Å; E575-L577 PolarHBondContact O-N 3.34Å; L577-M580 PolarHBondContact O-N 3.4Å; L577-E581 PolarHBondContact O-N 2.64Å; L577-E581 VanDerWaalsContact O-N 3.11Å
578	Q	85.2	Confident	78.8	Confident	82 Å²	82	74.6 Å²	74.6	38%	0.383	36%	0.357	S	S	.	.	H	α-helix	trans	-70	-42.8	177.9	-170.8	62.8	60	0	0	111.1	M550 D574 E575 M580 E581 N582	M550-Q578 VanDerWaalsContact CE-CA 3.48Å; M550-Q578 HydrophobicContact CE-CB 3.89Å; M550-Q578 VanDerWaalsContact CE-OE1 3.29Å; D574-Q578 PolarHBondContact O-N 2.96Å; D574-Q578 VanDerWaalsContact O-N 3.08Å; E575-Q578 PolarHBondContact O-N 3.37Å; E575-Q578 VanDerWaalsContact O-N 3.14Å; Q578-M580 VanDerWaalsContact C-N 3.28Å; Q578-M580 PolarHBondContact O-N 2.95Å; Q578-E581 PolarHBondContact O-N 2.95Å; Q578-N582 PolarHBondContact NE2-OD1 2.66Å; Q578-N582 VanDerWaalsContact NE2-OD1 3.11Å; Q578-N582 WeakPolarHBondContact O-CB 3.49Å; Q578-N582 PolarHBondContact O-N 3.04Å; Q578-N582 PolarHBondContact O-OD1 2.57Å
579	E	83.6	Confident	80.4	Confident	97 Å²	97	74.4 Å²	74.4	45%	0.453	36%	0.357	S	S	.	.	H	α-helix	trans	-59.7	-42.3	175.2	-168.1	-171.3	170.2	0	0	110.9	E575 E581 N582 L583	E575-E579 WeakPolarHBondContact O-CB 3.22Å; E575-E579 PolarHBondContact O-N 3.43Å; E579-E581 PolarHBondContact O-N 3.45Å; E579-N582 PolarHBondContact O-N 3.42Å; E579-L583 HydrophobicContact CG-CD1 4.03Å; E579-L583 HydrophobicContact CG-CG 4.43Å; E579-L583 VanDerWaalsContact O-CB 3.31Å; E579-L583 WeakPolarHBondContact O-CB 3.22Å; E579-L583 VanDerWaalsContact O-CG 3.26Å; E579-L583 WeakPolarHBondContact O-CG 3.42Å; E579-L583 PolarHBondContact O-N 3.22Å
580	M	86.1	Confident	81.7	Confident	4 Å²	4	73.6 Å²	73.6	2%	0.02	35%	0.349	C	S	.	.	H	α-helix	trans	-61.5	-42.6	176.7	-170.2	-177.9	-48.1	0	0	112.8	P435 S436 V438 P547 M553 R557 F572 D576 L577 Q578 A584	P435-M580 HydrophobicContact CB-CG 4.12Å; P435-M580 HydrophobicContact CG-CG 3.86Å; S436-M580 WeakPolarHBondContact O-CE 3.35Å; V438-M580 HydrophobicContact CB-SD 4.15Å; V438-M580 HydrophobicContact CG2-SD 4.35Å; P547-M580 HydrophobicContact CB-CG 4.34Å; P547-M580 HydrophobicContact CB-SD 4.12Å; P547-M580 HydrophobicContact CG-CG 4.16Å; M553-M580 HydrophobicContact SD-SD 4.19Å; R557-M580 VanDerWaalsContact NH1-CE 3.25Å; R557-M580 PolarHBondContact NH1-SD 2.7Å; F572-M580 HydrophobicContact CD1-CE 4.27Å; F572-M580 HydrophobicContact CE1-CE 3.7Å; D576-M580 WeakPolarHBondContact O-CB 3.46Å; D576-M580 PolarHBondContact O-N 3.22Å; L577-M580 PolarHBondContact O-N 3.4Å; Q578-M580 VanDerWaalsContact C-N 3.28Å; Q578-M580 PolarHBondContact O-N 2.95Å; M580-A584 WeakPolarHBondContact O-CB 3.19Å; M580-A584 PolarHBondContact O-N 3.34Å
581	E	88.3	Confident	82.8	Confident	57 Å²	57	71.3 Å²	71.3	27%	0.266	34%	0.337	S	S	.	.	H	α-helix	trans	-65.5	-46.4	176.4	-171.7	166.2	-144.8	0	0	111.2	M553 L577 Q578 E579 L583 A584 Q585	M553-E581 HydrophobicContact CE-CB 4.24Å; L577-E581 PolarHBondContact O-N 2.64Å; L577-E581 VanDerWaalsContact O-N 3.11Å; Q578-E581 PolarHBondContact O-N 2.95Å; E579-E581 PolarHBondContact O-N 3.45Å; E581-L583 VanDerWaalsContact C-N 3.35Å; E581-L583 PolarHBondContact O-N 3.2Å; E581-A584 WeakPolarHBondContact O-CB 3.27Å; E581-A584 PolarHBondContact O-N 3.02Å; E581-Q585 PolarHBondContact O-N 3.48Å
582	N	86	Confident	83.4	Confident	68 Å²	68	65.3 Å²	65.3	36%	0.364	32%	0.318	S	S	.	.	H	α-helix	trans	-62.7	-40.3	177.5	-67.5	-8.3	0	0	0	111.9	Q578 E579 R586	Q578-N582 PolarHBondContact NE2-OD1 2.66Å; Q578-N582 VanDerWaalsContact NE2-OD1 3.11Å; Q578-N582 WeakPolarHBondContact O-CB 3.49Å; Q578-N582 PolarHBondContact O-N 3.04Å; Q578-N582 PolarHBondContact O-OD1 2.57Å; E579-N582 PolarHBondContact O-N 3.42Å; N582-R586 WeakPolarHBondContact O-CG 3.39Å; N582-R586 PolarHBondContact O-N 2.89Å; N582-R586 PolarHBondContact O-NE 2.93Å
583	L	85.3	Confident	83.7	Confident	42 Å²	42	67.3 Å²	67.3	22%	0.22	33%	0.328	C	S	.	.	H	α-helix	trans	-65.2	-42.7	173.9	-76.8	168.9	0	0	0	111.4	P435 E579 E581 Q585 R586 M587	P435-L583 HydrophobicContact CB-CB 3.74Å; E579-L583 HydrophobicContact CG-CD1 4.03Å; E579-L583 HydrophobicContact CG-CG 4.43Å; E579-L583 VanDerWaalsContact O-CB 3.31Å; E579-L583 WeakPolarHBondContact O-CB 3.22Å; E579-L583 VanDerWaalsContact O-CG 3.26Å; E579-L583 WeakPolarHBondContact O-CG 3.42Å; E579-L583 PolarHBondContact O-N 3.22Å; E581-L583 VanDerWaalsContact C-N 3.35Å; E581-L583 PolarHBondContact O-N 3.2Å; L583-Q585 VanDerWaalsContact C-N 3.33Å; L583-Q585 PolarHBondContact O-N 3.35Å; L583-R586 PolarHBondContact O-N 3.4Å; L583-M587 WeakPolarHBondContact O-CB 3.47Å; L583-M587 WeakPolarHBondContact O-CG 3.4Å; L583-M587 PolarHBondContact O-N 3.17Å
584	A	89.3	Confident	84	Confident	7 Å²	7	62.8 Å²	62.8	6%	0.058	31%	0.308	C	S	.	.	H	α-helix	trans	-57.9	-47.6	176.6	0	0	0	0	0	111.5	P435 P547 M580 E581 M587 E588	P435-A584 HydrophobicContact CG-CB 3.98Å; P547-A584 VanDerWaalsContact CD-CB 3.48Å; P547-A584 HydrophobicContact CG-CB 3.76Å; M580-A584 WeakPolarHBondContact O-CB 3.19Å; M580-A584 PolarHBondContact O-N 3.34Å; E581-A584 WeakPolarHBondContact O-CB 3.27Å; E581-A584 PolarHBondContact O-N 3.02Å; A584-M587 PolarHBondContact O-N 3.4Å; A584-E588 WeakPolarHBondContact O-CB 3.43Å; A584-E588 PolarHBondContact O-N 3.42Å
585	Q	86.3	Confident	84.5	Confident	126 Å²	126	59.6 Å²	59.6	59%	0.589	29%	0.29	S	S	*	.	H	α-helix	trans	-63	-45.1	179.7	-171	176.1	2.4	0	0	111.3	E581 L583 M587 E588 T589	E581-Q585 PolarHBondContact O-N 3.48Å; L583-Q585 VanDerWaalsContact C-N 3.33Å; L583-Q585 PolarHBondContact O-N 3.35Å; Q585-M587 PolarHBondContact O-N 2.91Å; Q585-E588 PolarHBondContact O-N 2.82Å; Q585-T589 PolarHBondContact O-N 3.15Å; Q585-T589 PolarHBondContact O-OG1 2.88Å
586	R	83.1	Confident	85.1	Confident	131 Å²	131	56.2 Å²	56.2	49%	0.494	28%	0.276	S	S	.	.	H	α-helix	trans	-59.1	-44.7	175.1	-75.2	-174.5	-71.2	178.4	-4.6	112.2	N582 L583 T589 Q590	N582-R586 WeakPolarHBondContact O-CG 3.39Å; N582-R586 PolarHBondContact O-N 2.89Å; N582-R586 PolarHBondContact O-NE 2.93Å; L583-R586 PolarHBondContact O-N 3.4Å; R586-T589 PolarHBondContact O-N 3.31Å; R586-Q590 WeakPolarHBondContact O-CB 3.44Å; R586-Q590 VanDerWaalsContact O-CG 3.31Å; R586-Q590 WeakPolarHBondContact O-CG 3.01Å; R586-Q590 PolarHBondContact O-N 2.73Å
587	M	85.3	Confident	85.9	Confident	21 Å²	21	57 Å²	57	10%	0.103	28%	0.278	C	S	.	.	H	α-helix	trans	-63.8	-42.2	178.1	-69.6	171.5	85.6	0	0	112	P435 P527 F544 L583 A584 Q585 F591	P435-M587 HydrophobicContact CB-SD 4.15Å; P527-M587 HydrophobicContact CG-CE 3.28Å; P527-M587 HydrophobicContact CG-CG 4.16Å; P527-M587 HydrophobicContact CG-SD 4.47Å; F544-M587 HydrophobicContact CE2-CB 3.87Å; F544-M587 HydrophobicContact CE2-CE 4.04Å; F544-M587 HydrophobicContact CE2-SD 4.1Å; F544-M587 HydrophobicContact CZ-CB 3.98Å; L583-M587 WeakPolarHBondContact O-CB 3.47Å; L583-M587 WeakPolarHBondContact O-CG 3.4Å; L583-M587 PolarHBondContact O-N 3.17Å; A584-M587 PolarHBondContact O-N 3.4Å; Q585-M587 PolarHBondContact O-N 2.91Å; M587-F591 WeakPolarHBondContact O-CA 3.46Å; M587-F591 WeakPolarHBondContact O-CB 3.39Å; M587-F591 PolarHBondContact O-N 2.98Å
588	E	85.1	Confident	86.4	Confident	75 Å²	75	59.4 Å²	59.4	35%	0.35	29%	0.293	S	S	.	.	H	α-helix	trans	-66	-43.3	178.8	-164.3	164.1	-137.1	0	0	111.2	F544 K546 A584 Q585 G592	F544-E588 HydrophobicContact CE1-CB 4.12Å; F544-E588 HydrophobicContact CE1-CG 4.44Å; K546-E588 IonicContact NZ-OE1 3.51Å; K546-E588 PolarHBondContact NZ-OE1 2.93Å; K546-E588 IonicContact NZ-OE2 3.56Å; K546-E588 PolarHBondContact NZ-OE2 3.37Å; A584-E588 WeakPolarHBondContact O-CB 3.43Å; A584-E588 PolarHBondContact O-N 3.42Å; Q585-E588 PolarHBondContact O-N 2.82Å; E588-G592 WeakPolarHBondContact O-CA 3.31Å; E588-G592 PolarHBondContact O-N 2.98Å
589	T	76.9	Confident	86.9	Confident	68 Å²	68	55.5 Å²	55.5	42%	0.417	27%	0.274	S	S	.	.	H	α-helix	trans	-65.2	-43.3	176.3	-56.5	0	0	0	0	112.6	Q585 R586	Q585-T589 PolarHBondContact O-N 3.15Å; Q585-T589 PolarHBondContact O-OG1 2.88Å; R586-T589 PolarHBondContact O-N 3.31Å
590	Q	77.8	Confident	87.5	Confident	101 Å²	101	53.6 Å²	53.6	47%	0.472	27%	0.27	S	S	.	.	H	α-helix	trans	-82.4	-38.1	-173.8	-69.7	178.1	-4.7	0	0	113.2	R586 Q593	R586-Q590 WeakPolarHBondContact O-CB 3.44Å; R586-Q590 VanDerWaalsContact O-CG 3.31Å; R586-Q590 WeakPolarHBondContact O-CG 3.01Å; R586-Q590 PolarHBondContact O-N 2.73Å; Q590-Q593 PolarHBondContact O-NE2 3.3Å
591	F	82.8	Confident	87.7	Confident	38 Å²	38	53.7 Å²	53.7	17%	0.167	27%	0.27	C	S	.	.	H	α-helix	trans	-121.5	-1.5	-168.8	-56.4	-86.4	0	0	0	114.1	P527 I530 M587 Q593 F594 F595	P527-F591 HydrophobicContact CB-CB 4.37Å; P527-F591 HydrophobicContact CB-CD1 3.75Å; P527-F591 HydrophobicContact CB-CD2 3.34Å; P527-F591 HydrophobicContact CB-CE1 3.75Å; P527-F591 HydrophobicContact CB-CE2 3.34Å; P527-F591 HydrophobicContact CB-CG 3.55Å; P527-F591 HydrophobicContact CB-CZ 3.56Å; P527-F591 HydrophobicContact CG-CD2 4.26Å; P527-F591 HydrophobicContact CG-CE2 4.31Å; P527-F591 VanDerWaalsContact O-CD1 3.31Å; P527-F591 WeakPolarHBondContact O-CD1 3.38Å; P527-F591 WeakPolarHBondContact O-CE1 3.41Å; I530-F591 HydrophobicContact CG2-CD1 4.45Å; M587-F591 WeakPolarHBondContact O-CA 3.46Å; M587-F591 WeakPolarHBondContact O-CB 3.39Å; M587-F591 PolarHBondContact O-N 2.98Å; F591-Q593 PolarHBondContact O-N 3.2Å; F591-F594 HydrophobicContact CB-CD2 4.34Å; F591-F594 HydrophobicContact CD1-CD2 4.41Å; F591-F594 HydrophobicContact CD1-CE2 4.48Å; F591-F594 WeakPolarHBondContact O-CD2 3.32Å; F591-F594 PolarHBondContact O-N 3.46Å; F591-F595 HydrophobicContact CB-CE1 3.94Å; F591-F595 HydrophobicContact CB-CZ 3.8Å
592	G	82.7	Confident	87.6	Confident	26 Å²	26	54.4 Å²	54.4	27%	0.268	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-50.5	-33.8	-175.9	0	0	0	0	0	115	E588 F594 F595	E588-G592 WeakPolarHBondContact O-CA 3.31Å; E588-G592 PolarHBondContact O-N 2.98Å; G592-F594 PolarHBondContact O-N 3.06Å; G592-F594 VanDerWaalsContact O-N 3.07Å; G592-F595 PolarHBondContact O-N 3.36Å; G592-F595 VanDerWaalsContact O-N 3.09Å
593	Q	81.5	Confident	87.5	Confident	79 Å²	79	53.3 Å²	53.3	37%	0.369	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-60	-17.6	177.5	72.2	-136.6	-32.2	0	0	114.8	Q590 F591	Q590-Q593 PolarHBondContact O-NE2 3.3Å; F591-Q593 PolarHBondContact O-N 3.2Å
594	F	88.3	Confident	87.5	Confident	17 Å²	17	54.4 Å²	54.4	8%	0.075	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-101.6	-3.8	-179.4	-56.8	-60.4	0	0	0	113.2	I530 V542 F591 G592	I530-F594 HydrophobicContact CD1-CB 3.18Å; I530-F594 HydrophobicContact CD1-CD2 3.93Å; I530-F594 HydrophobicContact CD1-CG 3.76Å; I530-F594 HydrophobicContact CG1-CB 4.2Å; I530-F594 HydrophobicContact CG2-CD2 3.88Å; I530-F594 HydrophobicContact CG2-CE2 4.17Å; I530-F594 HydrophobicContact CG2-CG 4.34Å; V542-F594 VanDerWaalsContact CB-O 3.24Å; V542-F594 WeakPolarHBondContact CB-O 3.24Å; F591-F594 HydrophobicContact CB-CD2 4.34Å; F591-F594 HydrophobicContact CD1-CD2 4.41Å; F591-F594 HydrophobicContact CD1-CE2 4.48Å; F591-F594 WeakPolarHBondContact O-CD2 3.32Å; F591-F594 PolarHBondContact O-N 3.46Å; G592-F594 PolarHBondContact O-N 3.06Å; G592-F594 VanDerWaalsContact O-N 3.07Å
595	F	93.3	Very high	87.4	Confident	26 Å²	26	60.8 Å²	60.8	11%	0.114	31%	0.307	C	S	.	.			trans	-85.5	118.5	-178.2	-54.3	-21.9	0	0	0	109.7	M433 V542 F544 F591 G592	M433-F595 HydrophobicContact CE-CE1 4.21Å; M433-F595 HydrophobicContact SD-CE1 4.23Å; V542-F595 HydrophobicContact CG1-CD1 3.72Å; V542-F595 HydrophobicContact CG1-CE1 4.45Å; F544-F595 HydrophobicContact CB-CB 4.13Å; F544-F595 HydrophobicContact CB-CD1 4.05Å; F544-F595 HydrophobicContact CB-CD2 3.37Å; F544-F595 HydrophobicContact CB-CE1 4.31Å; F544-F595 HydrophobicContact CB-CE2 3.68Å; F544-F595 HydrophobicContact CB-CG 3.59Å; F544-F595 HydrophobicContact CB-CZ 4.14Å; F544-F595 AromaticContact CD1-CD2 3.72Å; F544-F595 HydrophobicContact CD1-CD2 3.72Å; F544-F595 AromaticContact CD1-CE2 3.54Å; F544-F595 HydrophobicContact CD1-CE2 3.54Å; F544-F595 HydrophobicContact CD1-CZ 4.44Å; F544-F595 HydrophobicContact CD2-CD2 4.25Å; F544-F595 HydrophobicContact CD2-CE1 4.36Å; F544-F595 AromaticContact CD2-CE2 3.62Å; F544-F595 HydrophobicContact CD2-CE2 3.62Å; F544-F595 AromaticContact CD2-CZ 3.69Å; F544-F595 HydrophobicContact CD2-CZ 3.69Å; F544-F595 AromaticContact CE1-CE2 4Å; F544-F595 HydrophobicContact CE1-CE2 4Å; F544-F595 HydrophobicContact CE2-CE2 4.08Å; F544-F595 HydrophobicContact CE2-CZ 4.15Å; F544-F595 AromaticContact CG-CD2 3.54Å; F544-F595 HydrophobicContact CG-CD2 3.54Å; F544-F595 HydrophobicContact CG-CE1 4.48Å; F544-F595 AromaticContact CG-CE2 3.33Å; F544-F595 HydrophobicContact CG-CE2 3.33Å; F544-F595 HydrophobicContact CG-CG 4.22Å; F544-F595 AromaticContact CG-CZ 3.86Å; F544-F595 HydrophobicContact CG-CZ 3.86Å; F544-F595 HydrophobicContact CZ-CE2 4.25Å; F591-F595 HydrophobicContact CB-CE1 3.94Å; F591-F595 HydrophobicContact CB-CZ 3.8Å; G592-F595 PolarHBondContact O-N 3.36Å; G592-F595 VanDerWaalsContact O-N 3.09Å
596	D	95.1	Very high	87.6	Confident	62 Å²	62	58.8 Å²	58.8	33%	0.332	30%	0.301	S	S	.	.	S	Bend	trans	-76.3	-30.4	173.6	-62.2	-81.7	0	0	0	111.3	Y541 V542	Y541-D596 WeakPolarHBondContact CA-OD2 3.32Å; Y541-D596 HydrophobicContact CD1-CB 4.2Å; Y541-D596 HydrophobicContact CD2-CB 3.75Å; Y541-D596 HydrophobicContact CE1-CB 3.95Å; Y541-D596 HydrophobicContact CE2-CB 3.51Å; Y541-D596 HydrophobicContact CG-CB 4.12Å; V542-D596 PolarHBondContact N-OD2 3.23Å; V542-D596 PolarHBondContact O-N 2.8Å
597	H	96.4	Very high	88.1	Confident	66 Å²	66	52.6 Å²	52.6	31%	0.306	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	149.6	179.6	-156.3	41.4	0	0	0	112.7	Y541 V542 I543 F544 A614	Y541-H597 HydrophobicContact CE1-CB 4.03Å; V542-H597 PolarHBondContact O-N 3.35Å; V542-H597 VanDerWaalsContact O-N 3.13Å; I543-H597 CarbonylContact C-O 3.52Å; I543-H597 WeakPolarHBondContact CA-O 3.36Å; I543-H597 HydrophobicContact CG1-CB 4.44Å; F544-H597 PolarHBondContact N-O 2.67Å; H597-A614 WeakPolarHBondContact CD2-CB 3.26Å
598	V	96.4	Very high	88.5	Confident	54 Å²	54	52.2 Å²	52.2	33%	0.327	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	126.7	177.8	-177.4	0	0	0	0	109.4	F544 K546	F544-V598 HydrophobicContact CB-CG2 4.36Å; F544-V598 HydrophobicContact CD1-CG1 4.02Å; F544-V598 HydrophobicContact CD1-CG2 4.34Å; F544-V598 CarbonylContact O-C 3.59Å; F544-V598 VanDerWaalsContact O-CA 3.28Å; F544-V598 WeakPolarHBondContact O-CA 3.41Å; K546-V598 HydrophobicContact CD-CG1 3.69Å; K546-V598 HydrophobicContact CG-CG1 3.93Å
599	I	96.4	Very high	88.9	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	128	177.2	-61	178.2	0	0	0	108.6	I543 F544 I545 K546 A607 Q610 L611	I543-I599 HydrophobicContact CG2-CD1 3.63Å; I543-I599 HydrophobicContact CG2-CG1 3.95Å; F544-I599 PolarHBondContact O-N 2.84Å; I545-I599 CarbonylContact C-O 3.54Å; I545-I599 WeakPolarHBondContact CA-O 3.45Å; K546-I599 PolarHBondContact N-O 2.69Å; I599-A607 HydrophobicContact CG2-CB 4.07Å; I599-Q610 HydrophobicContact CD1-CB 4.2Å; I599-Q610 HydrophobicContact CG1-CB 4.46Å; I599-Q610 HydrophobicContact CG2-CB 4.26Å; I599-L611 HydrophobicContact CD1-CB 4.03Å; I599-L611 HydrophobicContact CD1-CD1 4.28Å
600	V	94.8	Very high	89.8	Confident	58 Å²	58	52 Å²	52	35%	0.352	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	117.4	173.4	-173.3	0	0	0	0	108.4	K546 D602	K546-V600 HydrophobicContact CG-CG2 4Å; K546-V600 WeakPolarHBondContact O-CA 3.41Å; V600-D602 WeakPolarHBondContact CG1-OD1 3.38Å; V600-D602 PolarHBondContact O-N 2.99Å
601	N	91.3	Very high	90.7	Very high	5 Å²	5	47.2 Å²	47.2	3%	0.027	26%	0.258	C	S	.	.			trans	-96	86	-175	-172.5	20.4	0	0	0	113	V438 I545 K546 A607	V438-N601 PolarHBondContact O-ND2 3.09Å; I545-N601 HydrophobicContact CG2-CB 3.78Å; K546-N601 PolarHBondContact O-N 2.76Å; N601-A607 HydrophobicContact CB-CB 4.21Å; N601-A607 VanDerWaalsContact OD1-CB 3.26Å; N601-A607 WeakPolarHBondContact OD1-CB 3.35Å
602	D	84.8	Confident	91.3	Very high	73 Å²	73	47.8 Å²	47.8	39%	0.39	26%	0.262	S	S	.	.	S	Bend	trans	-92.9	-39.9	175.3	-66.3	10.7	0	0	0	111.3	S548 S556 V600	S548-D602 WeakPolarHBondContact CB-OD1 3.14Å; S548-D602 PolarHBondContact OG-OD1 3.05Å; S556-D602 WeakPolarHBondContact CB-O 3.46Å; S556-D602 PolarHBondContact OG-O 2.98Å; V600-D602 WeakPolarHBondContact CG1-OD1 3.38Å; V600-D602 PolarHBondContact O-N 2.99Å
603	S	84.9	Confident	92	Very high	44 Å²	44	49 Å²	49	31%	0.308	27%	0.267	S	S	.	.	S	Bend	trans	-133.2	122.9	-177.6	166.1	0	0	0	0	107.6	H605 D606 A607	S603-H605 PolarHBondContact O-N 3.11Å; S603-D606 VanDerWaalsContact CB-OD2 3.24Å; S603-D606 WeakPolarHBondContact CB-OD2 3.43Å; S603-D606 PolarHBondContact O-N 3.36Å; S603-D606 VanDerWaalsContact O-N 3.17Å; S603-D606 PolarHBondContact OG-OD2 3.11Å; S603-D606 VanDerWaalsContact OG-OD2 3.11Å; S603-A607 WeakPolarHBondContact O-CB 3.26Å; S603-A607 PolarHBondContact O-N 3.48Å
604	L	84.6	Confident	92.7	Very high	66 Å²	66	45.2 Å²	45.2	35%	0.346	25%	0.249	S	C	.	.	H	α-helix	trans	-57.3	-37.4	-179.1	-74.5	170.7	0	0	0	112	E442 L443 C608	E442-L604 HydrophobicContact CB-CD2 4.31Å; E442-L604 HydrophobicContact CG-CD1 3.73Å; E442-L604 HydrophobicContact CG-CD2 3.91Å; E442-L604 HydrophobicContact CG-CG 4.45Å; L443-L604 HydrophobicContact CD2-CD2 4.27Å; L443-L604 HydrophobicContact CG-CD2 4.25Å; L604-C608 WeakPolarHBondContact O-CB 3.24Å; L604-C608 PolarHBondContact O-N 3.26Å
605	H	87.6	Confident	93.1	Very high	140 Å²	140	44.5 Å²	44.5	65%	0.648	25%	0.246	S	C	*	.	H	α-helix	trans	-62.7	-48.5	178.4	177.9	-87.4	0	0	0	111.7	S603 C608 A609	S603-H605 PolarHBondContact O-N 3.11Å; H605-C608 PolarHBondContact O-N 3.36Å; H605-A609 PolarHBondContact O-N 3.11Å
606	D	90.9	Very high	93.2	Very high	84 Å²	84	48 Å²	48	45%	0.449	26%	0.263	S	S	.	.	H	α-helix	trans	-73.6	-36.9	-176.3	-56	-33.3	0	0	0	111.3	S603 C608 A609 Q610	S603-D606 VanDerWaalsContact CB-OD2 3.24Å; S603-D606 WeakPolarHBondContact CB-OD2 3.43Å; S603-D606 PolarHBondContact O-N 3.36Å; S603-D606 VanDerWaalsContact O-N 3.17Å; S603-D606 PolarHBondContact OG-OD2 3.11Å; S603-D606 VanDerWaalsContact OG-OD2 3.11Å; D606-C608 VanDerWaalsContact C-N 3.33Å; D606-A609 PolarHBondContact O-N 3.45Å; D606-Q610 WeakPolarHBondContact O-CB 3.28Å; D606-Q610 VanDerWaalsContact O-CG 3.32Å; D606-Q610 WeakPolarHBondContact O-CG 3.48Å; D606-Q610 PolarHBondContact O-N 3.41Å; D606-Q610 PolarHBondContact O-NE2 3.23Å
607	A	93	Very high	93.2	Very high	1 Å²	1	49 Å²	49	1%	0.008	27%	0.265	C	S	.	.	H	α-helix	trans	-64.8	-36.9	172.5	0	0	0	0	0	111.7	L443 I599 N601 S603 Q610 L611	L443-A607 HydrophobicContact CD1-CB 4.16Å; L443-A607 HydrophobicContact CD2-CB 3.84Å; I599-A607 HydrophobicContact CG2-CB 4.07Å; N601-A607 HydrophobicContact CB-CB 4.21Å; N601-A607 VanDerWaalsContact OD1-CB 3.26Å; N601-A607 WeakPolarHBondContact OD1-CB 3.35Å; S603-A607 WeakPolarHBondContact O-CB 3.26Å; S603-A607 PolarHBondContact O-N 3.48Å; A607-Q610 PolarHBondContact O-N 3.17Å; A607-L611 VanDerWaalsContact O-CB 3.24Å; A607-L611 WeakPolarHBondContact O-CB 3.31Å; A607-L611 PolarHBondContact O-N 3.43Å
608	C	93.1	Very high	93.1	Very high	14 Å²	14	46 Å²	46	10%	0.095	25%	0.251	C	S	.	.	H	α-helix	trans	-66.4	-42	175	-170	0	0	0	0	111.7	L443 L604 H605 D606 L611 L612	L443-C608 HydrophobicContact CD2-CB 3.95Å; L604-C608 WeakPolarHBondContact O-CB 3.24Å; L604-C608 PolarHBondContact O-N 3.26Å; H605-C608 PolarHBondContact O-N 3.36Å; D606-C608 VanDerWaalsContact C-N 3.33Å; C608-L611 WeakPolarHBondContact O-CB 3.01Å; C608-L611 PolarHBondContact O-N 2.72Å; C608-L612 PolarHBondContact O-N 3.39Å
609	A	94.1	Very high	93	Very high	53 Å²	53	43.5 Å²	43.5	44%	0.438	24%	0.235	S	C	.	.	H	α-helix	trans	-63.3	-43.1	174	0	0	0	0	0	112.3	H605 D606 L611 L612 S613	H605-A609 PolarHBondContact O-N 3.11Å; D606-A609 PolarHBondContact O-N 3.45Å; A609-L611 VanDerWaalsContact C-N 3.34Å; A609-L612 PolarHBondContact O-N 3.34Å; A609-S613 PolarHBondContact O-N 2.88Å; A609-S613 VanDerWaalsContact O-N 3.09Å
610	Q	96.4	Very high	92.9	Very high	85 Å²	85	47.4 Å²	47.4	40%	0.397	25%	0.254	S	S	.	.	H	α-helix	trans	-62.5	-41.2	173.7	-74.3	176.1	62.1	0	0	111.7	I599 D606 A607 S613 A614	I599-Q610 HydrophobicContact CD1-CB 4.2Å; I599-Q610 HydrophobicContact CG1-CB 4.46Å; I599-Q610 HydrophobicContact CG2-CB 4.26Å; D606-Q610 WeakPolarHBondContact O-CB 3.28Å; D606-Q610 VanDerWaalsContact O-CG 3.32Å; D606-Q610 WeakPolarHBondContact O-CG 3.48Å; D606-Q610 PolarHBondContact O-N 3.41Å; D606-Q610 PolarHBondContact O-NE2 3.23Å; A607-Q610 PolarHBondContact O-N 3.17Å; Q610-S613 PolarHBondContact O-N 3.14Å; Q610-A614 WeakPolarHBondContact O-CB 3.33Å; Q610-A614 PolarHBondContact O-N 2.84Å
611	L	96.4	Very high	92.9	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-61.8	-45.7	177.6	178.2	59.4	0	0	0	111.5	L432 L443 L447 I543 I599 A607 C608 A609 S613 A614 I615	L432-L611 HydrophobicContact CD1-CD2 4.42Å; L432-L611 HydrophobicContact CD2-CD1 3.74Å; L443-L611 HydrophobicContact CB-CD2 4.05Å; L447-L611 HydrophobicContact CD2-CD2 4.15Å; L447-L611 HydrophobicContact CD2-CG 4.48Å; I543-L611 HydrophobicContact CD1-CD1 3.58Å; I543-L611 HydrophobicContact CG2-CD1 4.36Å; I599-L611 HydrophobicContact CD1-CB 4.03Å; I599-L611 HydrophobicContact CD1-CD1 4.28Å; A607-L611 VanDerWaalsContact O-CB 3.24Å; A607-L611 WeakPolarHBondContact O-CB 3.31Å; A607-L611 PolarHBondContact O-N 3.43Å; C608-L611 WeakPolarHBondContact O-CB 3.01Å; C608-L611 PolarHBondContact O-N 2.72Å; A609-L611 VanDerWaalsContact C-N 3.34Å; L611-S613 VanDerWaalsContact C-N 3.33Å; L611-S613 PolarHBondContact O-N 3.23Å; L611-A614 PolarHBondContact O-N 3.21Å; L611-I615 HydrophobicContact CD1-CD1 3.87Å; L611-I615 HydrophobicContact CD1-CG1 4.14Å; L611-I615 HydrophobicContact CG-CD1 3.92Å; L611-I615 VanDerWaalsContact O-CG1 3.26Å; L611-I615 WeakPolarHBondContact O-CG1 3.38Å; L611-I615 PolarHBondContact O-N 3.11Å
612	L	95.9	Very high	93.1	Very high	50 Å²	50	51 Å²	51	26%	0.262	27%	0.27	S	S	.	.	H	α-helix	trans	-58.1	-44.8	174.1	-79.7	167.9	0	0	0	111.9	L447 F450 F455 C608 A609 I615 Q616	L447-L612 HydrophobicContact CD1-CD2 3.32Å; L447-L612 HydrophobicContact CD1-CG 3.89Å; F450-L612 HydrophobicContact CD1-CD1 4.31Å; F450-L612 HydrophobicContact CE1-CD1 4.25Å; F455-L612 HydrophobicContact CE2-CD2 4.06Å; F455-L612 HydrophobicContact CZ-CD2 3.97Å; C608-L612 PolarHBondContact O-N 3.39Å; A609-L612 PolarHBondContact O-N 3.34Å; L612-I615 PolarHBondContact O-N 3.1Å; L612-Q616 WeakPolarHBondContact O-CB 3.46Å; L612-Q616 PolarHBondContact O-N 2.87Å
613	S	96.6	Very high	93.6	Very high	51 Å²	51	49.1 Å²	49.1	36%	0.357	26%	0.259	S	S	.	.	H	α-helix	trans	-62.9	-43.8	177.2	-171.3	0	0	0	0	111.9	A609 Q610 L611 Q616 K617	A609-S613 PolarHBondContact O-N 2.88Å; A609-S613 VanDerWaalsContact O-N 3.09Å; Q610-S613 PolarHBondContact O-N 3.14Å; L611-S613 VanDerWaalsContact C-N 3.33Å; L611-S613 PolarHBondContact O-N 3.23Å; S613-Q616 PolarHBondContact O-N 3.08Å; S613-K617 WeakPolarHBondContact O-CG 3.11Å; S613-K617 PolarHBondContact O-N 2.75Å
614	A	96.9	Very high	94	Very high	1 Å²	1	54.5 Å²	54.5	1%	0.008	27%	0.272	C	S	.	.	H	α-helix	trans	-62.9	-43.2	178.8	0	0	0	0	0	112	I543 H597 Q610 L611 Q616 K617 A618	I543-A614 HydrophobicContact CD1-CB 3.97Å; H597-A614 WeakPolarHBondContact CD2-CB 3.26Å; Q610-A614 WeakPolarHBondContact O-CB 3.33Å; Q610-A614 PolarHBondContact O-N 2.84Å; L611-A614 PolarHBondContact O-N 3.21Å; A614-Q616 VanDerWaalsContact C-N 3.35Å; A614-K617 PolarHBondContact O-N 2.67Å; A614-A618 WeakPolarHBondContact O-CB 3.47Å; A614-A618 PolarHBondContact O-N 2.88Å
615	I	96.6	Very high	94.3	Very high	2 Å²	2	51.4 Å²	51.4	1%	0.01	26%	0.256	C	S	.	.	H	α-helix	trans	-65.3	-40.9	176.5	-65.4	168.4	0	0	0	110.5	I430 L447 F455 I520 I543 L611 L612 K617 A618 Q619	I430-I615 HydrophobicContact CD1-CB 4.47Å; I430-I615 HydrophobicContact CD1-CG1 4.12Å; I430-I615 HydrophobicContact CD1-CG2 4.09Å; I430-I615 HydrophobicContact CG1-CD1 4.48Å; I430-I615 HydrophobicContact CG1-CG1 4.04Å; I430-I615 HydrophobicContact CG1-CG2 4.02Å; I430-I615 HydrophobicContact CG2-CD1 4.11Å; I430-I615 HydrophobicContact CG2-CG1 3.95Å; L447-I615 HydrophobicContact CD1-CD1 4.26Å; L447-I615 HydrophobicContact CD2-CD1 3.4Å; L447-I615 VanDerWaalsContact CD2-CD1 3.4Å; L447-I615 HydrophobicContact CG-CD1 4.48Å; F455-I615 HydrophobicContact CE1-CD1 4.29Å; F455-I615 HydrophobicContact CE1-CG2 3.99Å; I520-I615 HydrophobicContact CD1-CG2 4.01Å; I520-I615 HydrophobicContact CG2-CG2 4.25Å; I543-I615 HydrophobicContact CD1-CG1 4.14Å; L611-I615 HydrophobicContact CD1-CD1 3.87Å; L611-I615 HydrophobicContact CD1-CG1 4.14Å; L611-I615 HydrophobicContact CG-CD1 3.92Å; L611-I615 VanDerWaalsContact O-CG1 3.26Å; L611-I615 WeakPolarHBondContact O-CG1 3.38Å; L611-I615 PolarHBondContact O-N 3.11Å; L612-I615 PolarHBondContact O-N 3.1Å; I615-K617 PolarHBondContact O-N 3.22Å; I615-A618 WeakPolarHBondContact O-CB 3.44Å; I615-A618 PolarHBondContact O-N 3.21Å; I615-Q619 HydrophobicContact CG2-CG 4.22Å; I615-Q619 VanDerWaalsContact O-CG 3.23Å; I615-Q619 WeakPolarHBondContact O-CG 3.44Å; I615-Q619 PolarHBondContact O-N 3.1Å; I615-Q619 VanDerWaalsContact O-N 3.11Å
616	Q	95.1	Very high	94.5	Very high	99 Å²	99	45.1 Å²	45.1	46%	0.463	23%	0.228	S	C	.	.	H	α-helix	trans	-58.9	-48.9	175.8	-170	179.4	-3	0	0	111.2	L612 S613 A614 A618 Q619 E620	L612-Q616 WeakPolarHBondContact O-CB 3.46Å; L612-Q616 PolarHBondContact O-N 2.87Å; S613-Q616 PolarHBondContact O-N 3.08Å; A614-Q616 VanDerWaalsContact C-N 3.35Å; Q616-A618 VanDerWaalsContact C-N 3.31Å; Q616-A618 PolarHBondContact O-N 3.05Å; Q616-Q619 PolarHBondContact O-N 3.01Å; Q616-Q619 VanDerWaalsContact O-N 3.15Å; Q616-E620 VanDerWaalsContact CG-CD 3.45Å; Q616-E620 HydrophobicContact CG-CG 4.36Å; Q616-E620 WeakPolarHBondContact CG-OE2 3.39Å; Q616-E620 PolarHBondContact NE2-OE2 3.15Å; Q616-E620 WeakPolarHBondContact O-CB 3.44Å; Q616-E620 PolarHBondContact O-N 2.87Å
617	K	94.9	Very high	94.4	Very high	84 Å²	84	41.9 Å²	41.9	37%	0.365	21%	0.213	S	C	.	.	H	α-helix	trans	-58.6	-42	175.9	-68.4	179.1	-179.7	177.3	0	112.4	S613 A614 I615 Q619 E621 Q623	S613-K617 WeakPolarHBondContact O-CG 3.11Å; S613-K617 PolarHBondContact O-N 2.75Å; A614-K617 PolarHBondContact O-N 2.67Å; I615-K617 PolarHBondContact O-N 3.22Å; K617-Q619 PolarHBondContact O-N 3.41Å; K617-E621 WeakPolarHBondContact O-CB 3.49Å; K617-E621 PolarHBondContact O-N 3.02Å; K617-Q623 PolarHBondContact O-NE2 3.41Å; K617-Q623 VanDerWaalsContact O-NE2 3.11Å
618	A	94.9	Very high	94.2	Very high	2 Å²	2	44.9 Å²	44.9	2%	0.017	23%	0.231	C	C	.	.	H	α-helix	trans	-60.9	-33.7	178.6	0	0	0	0	0	113.2	R428 I430 Y541 A614 I615 Q616	R428-A618 WeakPolarHBondContact CD-O 3.5Å; R428-A618 PolarHBondContact NH1-O 3.36Å; I430-A618 HydrophobicContact CD1-CB 4.07Å; Y541-A618 HydrophobicContact CD1-CB 3.54Å; Y541-A618 HydrophobicContact CD2-CB 3.53Å; Y541-A618 HydrophobicContact CE1-CB 3.86Å; Y541-A618 HydrophobicContact CE2-CB 3.83Å; Y541-A618 HydrophobicContact CG-CB 3.34Å; A614-A618 WeakPolarHBondContact O-CB 3.47Å; A614-A618 PolarHBondContact O-N 2.88Å; I615-A618 WeakPolarHBondContact O-CB 3.44Å; I615-A618 PolarHBondContact O-N 3.21Å; Q616-A618 VanDerWaalsContact C-N 3.31Å; Q616-A618 PolarHBondContact O-N 3.05Å
619	Q	94.8	Very high	94	Very high	1 Å²	1	45 Å²	45	1%	0.005	23%	0.229	C	C	.	.	H	α-helix	trans	-97.6	-23.6	-173.9	-58.4	-61	-16.1	0	0	114.5	R421 Y427 R428 I520 I615 Q616 K617	R421-Q619 PolarHBondContact NE-O 3.45Å; Y427-Q619 HydrophobicContact CD1-CB 4.3Å; Y427-Q619 HydrophobicContact CD1-CG 4.11Å; R428-Q619 PolarHBondContact O-NE2 3.14Å; I520-Q619 HydrophobicContact CD1-CG 4.06Å; I615-Q619 HydrophobicContact CG2-CG 4.22Å; I615-Q619 VanDerWaalsContact O-CG 3.23Å; I615-Q619 WeakPolarHBondContact O-CG 3.44Å; I615-Q619 PolarHBondContact O-N 3.1Å; I615-Q619 VanDerWaalsContact O-N 3.11Å; Q616-Q619 PolarHBondContact O-N 3.01Å; Q616-Q619 VanDerWaalsContact O-N 3.15Å; K617-Q619 PolarHBondContact O-N 3.41Å
620	E	93.9	Very high	93.6	Very high	82 Å²	82	46 Å²	46	38%	0.383	23%	0.226	S	C	.	.	H	α-helix	trans	-117.5	-31.8	-170.3	-63.7	173.1	-164.6	0	0	113.1	Q420 R454 Q616	Q420-E620 PolarHBondContact NE2-O 3.15Å; R454-E620 IonicContact NH2-OE1 2.69Å; R454-E620 PolarHBondContact NH2-OE1 3.13Å; Q616-E620 VanDerWaalsContact CG-CD 3.45Å; Q616-E620 HydrophobicContact CG-CG 4.36Å; Q616-E620 WeakPolarHBondContact CG-OE2 3.39Å; Q616-E620 PolarHBondContact NE2-OE2 3.15Å; Q616-E620 WeakPolarHBondContact O-CB 3.44Å; Q616-E620 PolarHBondContact O-N 2.87Å
621	E	94.8	Very high	92	Very high	100 Å²	100	46.1 Å²	46.1	47%	0.467	24%	0.237	S	C	.	.	S	Bend	trans	-97.1	153	-178.6	-63.2	-178.2	-174	0	0	112	K617 Q623	K617-E621 WeakPolarHBondContact O-CB 3.49Å; K617-E621 PolarHBondContact O-N 3.02Å; E621-Q623 PolarHBondContact O-N 3.46Å
622	P	94.4	Very high	89.5	Confident	38 Å²	38	49.7 Å²	49.7	25%	0.247	26%	0.262	C	S	.	.			trans	-64.5	128.9	173.8	-19.3	31	0	0	0	112.4	R418 Y419 Q420	R418-P622 HydrophobicContact CG-CB 3.71Å; Y419-P622 CarbonylContact O-C 3.48Å; Y419-P622 WeakPolarHBondContact O-CA 3.21Å; Q420-P622 HydrophobicContact CB-CB 4.2Å; Q420-P622 HydrophobicContact CB-CG 4.15Å; Q420-P622 HydrophobicContact CG-CG 4.2Å
623	Q	94.9	Very high	86.9	Confident	35 Å²	35	54.1 Å²	54.1	16%	0.164	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	156.1	178.2	-57.8	-54.9	-38.4	0	0	111.2	R418 Y419 Y541 K617 E621	R418-Q623 CarbonylContact C-O 3.58Å; R418-Q623 WeakPolarHBondContact CA-O 3.35Å; Y419-Q623 PolarHBondContact N-O 3.23Å; Y419-Q623 PolarHBondContact O-N 2.87Å; Y541-Q623 HydrophobicContact CD2-CG 4.45Å; Y541-Q623 HydrophobicContact CE2-CG 4.01Å; K617-Q623 PolarHBondContact O-NE2 3.41Å; K617-Q623 VanDerWaalsContact O-NE2 3.11Å; E621-Q623 PolarHBondContact O-N 3.46Å
624	W	93.4	Very high	83.8	Confident	157 Å²	157	58.6 Å²	58.6	60%	0.595	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.1	128.3	169.6	-67.5	105.1	0	0	0	109.5	V416 R418	V416-W624 HydrophobicContact CB-CB 4.36Å; V416-W624 HydrophobicContact CB-CE3 4.01Å; V416-W624 HydrophobicContact CG2-CB 4.43Å; V416-W624 HydrophobicContact CG2-CD2 4.15Å; V416-W624 HydrophobicContact CG2-CE3 3.58Å; V416-W624 HydrophobicContact CG2-CZ3 4.16Å; R418-W624 HydrophobicContact CB-CE3 4.39Å; R418-W624 HydrophobicContact CB-CZ3 4.26Å
625	V	92.6	Very high	80.7	Confident	1 Å²	1	68 Å²	68	1%	0.006	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	154.2	173.8	-59.8	0	0	0	0	109.4	V416 V417 Y419 A627 W629 I630	V416-V625 CarbonylContact C-O 3.53Å; V416-V625 WeakPolarHBondContact CA-O 3.49Å; V416-V625 WeakPolarHBondContact CB-O 3.46Å; V417-V625 HydrophobicContact CG1-CG2 3.98Å; V417-V625 PolarHBondContact N-O 3.42Å; V417-V625 PolarHBondContact O-N 2.76Å; Y419-V625 HydrophobicContact CD1-CG1 4.15Å; Y419-V625 HydrophobicContact CG-CG1 4.44Å; Y419-V625 HydrophobicContact CG-CG2 4.18Å; V625-A627 PolarHBondContact O-N 3.37Å; V625-W629 HydrophobicContact CB-CD2 4.49Å; V625-W629 HydrophobicContact CB-CE3 3.67Å; V625-W629 HydrophobicContact CB-CZ3 4.02Å; V625-W629 HydrophobicContact CG1-CE3 4.01Å; V625-W629 HydrophobicContact CG1-CZ3 4.04Å; V625-W629 HydrophobicContact CG2-CE3 4.48Å; V625-I630 HydrophobicContact CG2-CD1 4.15Å; V625-I630 HydrophobicContact CG2-CG1 3.93Å
626	P	91.4	Very high	77.6	Confident	7 Å²	7	76.6 Å²	76.6	5%	0.045	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-50.2	132.6	171.7	-28.6	36.3	0	0	0	111.5	E414 R534 T628 W629	E414-P626 WeakPolarHBondContact OE1-CG 3.4Å; R534-P626 VanDerWaalsContact NH2-CG 3.3Å; P626-T628 PolarHBondContact O-N 2.63Å; P626-W629 HydrophobicContact CB-CD2 4.21Å; P626-W629 HydrophobicContact CB-CG 4.13Å; P626-W629 HydrophobicContact CG-CD2 4Å; P626-W629 HydrophobicContact CG-CG 4.44Å; P626-W629 HydrophobicContact CG-CH2 4.22Å; P626-W629 HydrophobicContact CG-CZ2 3.72Å; P626-W629 WeakPolarHBondContact O-CB 2.91Å; P626-W629 PolarHBondContact O-N 3.12Å
627	A	89.5	Confident	76.7	Confident	16 Å²	16	75.5 Å²	75.5	13%	0.132	41%	0.413	C	S	.	.	G	3₁₀ helix	trans	-57.1	-34.8	-178.3	0	0	0	0	0	111.7	E415 V625 W629 I630 S631	E415-A627 HydrophobicContact CB-CB 4.26Å; E415-A627 HydrophobicContact CG-CB 3.89Å; E415-A627 PolarHBondContact O-N 3.23Å; V625-A627 PolarHBondContact O-N 3.37Å; A627-W629 PolarHBondContact O-N 2.98Å; A627-W629 VanDerWaalsContact O-N 3.11Å; A627-I630 PolarHBondContact O-N 3.09Å; A627-S631 PolarHBondContact O-N 3.3Å; A627-S631 PolarHBondContact O-OG 3.1Å
628	T	87.1	Confident	75.7	Confident	64 Å²	64	75 Å²	75	39%	0.393	42%	0.415	S	S	.	.	G	3₁₀ helix	trans	-58.9	-19.2	175.7	56.4	0	0	0	0	114.5	P626 I630 S631	P626-T628 PolarHBondContact O-N 2.63Å; T628-I630 VanDerWaalsContact C-N 3.3Å; T628-S631 WeakPolarHBondContact CA-OG 3.05Å
629	W	89.9	Confident	74.7	Confident	17 Å²	17	79.1 Å²	79.1	6%	0.064	44%	0.438	C	S	.	.	G	3₁₀ helix	trans	-80.5	-13.7	176.6	-65.8	2	0	0	0	113.6	R534 H536 K539 P540 V625 P626 A627	R534-W629 HydrophobicContact CB-CZ2 3.82Å; R534-W629 HydrophobicContact CG-CZ2 3.91Å; R534-W629 PolarHBondContact O-NE1 3.49Å; H536-W629 HydrophobicContact CB-CB 4.33Å; K539-W629 HydrophobicContact CB-CE3 3.88Å; K539-W629 HydrophobicContact CB-CZ3 4.13Å; K539-W629 WeakPolarHBondContact CE-O 3.47Å; K539-W629 HydrophobicContact CG-CE3 3.94Å; K539-W629 PolarHBondContact NZ-O 3.4Å; P540-W629 HydrophobicContact CG-CH2 3.88Å; P540-W629 HydrophobicContact CG-CZ2 4.36Å; V625-W629 HydrophobicContact CB-CD2 4.49Å; V625-W629 HydrophobicContact CB-CE3 3.67Å; V625-W629 HydrophobicContact CB-CZ3 4.02Å; V625-W629 HydrophobicContact CG1-CE3 4.01Å; V625-W629 HydrophobicContact CG1-CZ3 4.04Å; V625-W629 HydrophobicContact CG2-CE3 4.48Å; P626-W629 HydrophobicContact CB-CD2 4.21Å; P626-W629 HydrophobicContact CB-CG 4.13Å; P626-W629 HydrophobicContact CG-CD2 4Å; P626-W629 HydrophobicContact CG-CG 4.44Å; P626-W629 HydrophobicContact CG-CH2 4.22Å; P626-W629 HydrophobicContact CG-CZ2 3.72Å; P626-W629 WeakPolarHBondContact O-CB 2.91Å; P626-W629 PolarHBondContact O-N 3.12Å; A627-W629 PolarHBondContact O-N 2.98Å; A627-W629 VanDerWaalsContact O-N 3.11Å
630	I	85.3	Confident	73.5	Confident	73 Å²	73	83.6 Å²	83.6	37%	0.374	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.3	-23.8	-176.6	-53.8	-58.2	0	0	0	111	V417 Y419 V625 A627 T628 S632	V417-I630 HydrophobicContact CG1-CB 4.1Å; V417-I630 HydrophobicContact CG1-CG1 3.54Å; Y419-I630 HydrophobicContact CD2-CD1 3.43Å; Y419-I630 VanDerWaalsContact CD2-CD1 3.43Å; Y419-I630 HydrophobicContact CE2-CD1 4Å; Y419-I630 HydrophobicContact CG-CD1 3.98Å; V625-I630 HydrophobicContact CG2-CD1 4.15Å; V625-I630 HydrophobicContact CG2-CG1 3.93Å; A627-I630 PolarHBondContact O-N 3.09Å; T628-I630 VanDerWaalsContact C-N 3.3Å; I630-S632 PolarHBondContact O-N 2.66Å
631	S	63	Low	72.2	Confident	88 Å²	88	83.8 Å²	83.8	62%	0.615	47%	0.468	S	S	*	.			trans	-85.3	91.5	178.3	27.1	0	0	0	0	113	A627 T628	A627-S631 PolarHBondContact O-N 3.3Å; A627-S631 PolarHBondContact O-OG 3.1Å; T628-S631 WeakPolarHBondContact CA-OG 3.05Å
632	S	44.6	Very low	70.7	Confident	75 Å²	75	82.7 Å²	82.7	52%	0.524	47%	0.468	S	S	.	.			trans	-149.3	129.8	150.9	56.4	0	0	0	0	107.6	I630	I630-S632 PolarHBondContact O-N 2.66Å
633	D	40.9	Very low	69	Low	143 Å²	143	85.9 Å²	85.9	77%	0.765	48%	0.484	S	S	*	.			trans	97.9	51.9	171.8	-47.8	-21.2	0	0	0	118.2
634	T	30.4	Very low	67	Low	146 Å²	146	89.8 Å²	89.8	90%	0.896	51%	0.508	S	S	*	.			trans	-127.4	22.3	157.4	28	0	0	0	0	114.5
635	E	33.1	Very low	64.8	Low	197 Å²	197	84.2 Å²	84.2	92%	0.921	50%	0.501	S	S	*	.			trans	-116.8	91.1	159.2	-70.8	-172.6	169.1	0	0	107.8
636	S	29.9	Very low	62.3	Low	183 Å²	183	91.7 Å²	91.7	100%	1.28	55%	0.546	S	S	*	.			trans	-129.6	0	168.7	-57.8	0	0	0	0	108.9

Retrieved 636 of 636 residues in 777.2 ms (Link to these results)

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