A0A087WUS1_HUMAN Loading...

MAGUK p55 subfamily member 4

May play a role in retinal photoreceptors development.

AlphaFold DB , UniProt , Accession A0A087WUS1, Species HUMAN (Homo sapiens, Human), Gene MPP4, Length 606 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	32.7	Very low	30.8	Very low	230 Å²	230	141.4 Å²	141.4	100%	1.133	82%	0.824	S	S	*	*				0	92.3	0	-77.7	168.4	74.8	0	0	106.3
2	I	30.8	Very low	30.8	Very low	146 Å²	146	143.2 Å²	143.2	75%	0.749	83%	0.828	S	S	*	*				76.4	107.3	90.7	-66	175	0	0	0	112.3
3	Q	26.6	Very low	31.3	Very low	167 Å²	167	147.8 Å²	147.8	78%	0.78	83%	0.832	S	S	*	*			trans	62	124.4	140.7	-71.9	-178.8	-29.5	0	0	120.9
4	S	31.5	Very low	31.3	Very low	108 Å²	108	151.5 Å²	151.5	76%	0.755	84%	0.835	S	S	*	*				80.8	149.5	85.5	-55	0	0	0	0	111.9
5	D	30.6	Very low	31.3	Very low	131 Å²	131	151 Å²	151	70%	0.701	83%	0.831	S	S	*	*			cis	-177.3	161.6	-12.1	-176.3	16.4	0	0	0	105
6	K	31.7	Very low	31.1	Very low	184 Å²	184	153.6 Å²	153.6	80%	0.8	84%	0.838	S	S	*	*			trans	67.7	128.1	159.7	-48.8	-154.4	176.6	-178.5	0	123.7
7	G	27.9	Very low	31	Very low	83 Å²	83	156.2 Å²	156.2	86%	0.856	84%	0.839	S	S	*	*				99.5	109.8	107.5	0	0	0	0	0	117.2
8	A	30.2	Very low	30.9	Very low	106 Å²	106	156.9 Å²	156.9	88%	0.876	84%	0.842	S	S	*	*			trans	-117.2	124.4	167.7	0	0	0	0	0	110.4
9	D	28.9	Very low	30.7	Very low	160 Å²	160	153.8 Å²	153.8	86%	0.856	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-71	156.6	177.3	-77.7	-43.1	0	0	0	113.4
10	P	33.4	Very low	31	Very low	117 Å²	117	153.5 Å²	153.5	76%	0.76	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-94.2	151.6	169.2	36.7	-29.4	0	0	0	111.9
11	P	34.4	Very low	30.8	Very low	123 Å²	123	150.5 Å²	150.5	80%	0.799	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-96.8	133.2	172.3	34.1	-28	0	0	0	113.6
12	D	31.2	Very low	31.2	Very low	163 Å²	163	146.3 Å²	146.3	87%	0.872	82%	0.82	S	S	*	*			trans	58.8	112.5	140	-81.5	-25	0	0	0	123.3
13	K	37.2	Very low	31.3	Very low	203 Å²	203	145.8 Å²	145.8	88%	0.883	82%	0.819	S	S	*	*			trans	-83.7	129.5	156.8	-75.7	176.9	173.8	176.1	0	110.3
14	K	30.9	Very low	32	Very low	200 Å²	200	144 Å²	144	87%	0.87	82%	0.822	S	S	*	*			trans	-135.2	108.2	149.5	-89.4	-172.9	178.2	174.6	0	111.2
15	D	31.4	Very low	32.6	Very low	144 Å²	144	146.9 Å²	146.9	77%	0.77	82%	0.823	S	S	*	*			trans	26.1	109.5	146.5	-60.3	-46	0	0	0	120.7
16	M	28.8	Very low	33.6	Very low	193 Å²	193	146.9 Å²	146.9	95%	0.951	82%	0.823	S	S	*	*			trans	-124	101.8	134.9	-99.1	175.9	77.9	0	0	108.4	L18	M16-L18 PolarHBondContact O-N 3.41Å
17	K	29.9	Very low	35.1	Very low	197 Å²	197	139.8 Å²	139.8	86%	0.857	80%	0.802	S	S	*	*			trans	-61.2	118.5	166.5	-77.2	176.3	174.3	176.5	0	108.7
18	L	28.9	Very low	36.8	Very low	170 Å²	170	139.4 Å²	139.4	89%	0.89	78%	0.78	S	S	*	*			trans	-98.3	108.7	160.5	-163.6	70.1	0	0	0	108.4	M16	M16-L18 PolarHBondContact O-N 3.41Å
19	S	26.1	Very low	38.5	Very low	97 Å²	97	138.8 Å²	138.8	68%	0.678	77%	0.77	S	S	*	*			trans	-58	132.6	174.2	42.5	0	0	0	0	111.9	A21	S19-A21 PolarHBondContact O-N 2.91Å
20	T	37.5	Very low	40.4	Very low	147 Å²	147	137 Å²	137	90%	0.902	76%	0.756	S	S	*	*			trans	-55	114.8	161	43.5	0	0	0	0	111.1
21	A	26.9	Very low	42	Very low	91 Å²	91	132.8 Å²	132.8	75%	0.752	73%	0.727	S	S	*	*			trans	-146.9	112.2	157.9	0	0	0	0	0	109	S19 N23	S19-A21 PolarHBondContact O-N 2.91Å; A21-N23 PolarHBondContact O-N 3.1Å
22	T	41	Very low	43.6	Very low	142 Å²	142	131.5 Å²	131.5	87%	0.871	71%	0.713	S	S	*	*			trans	-55.9	122.6	170.6	41.6	0	0	0	0	111.4
23	N	31.7	Very low	45.6	Very low	135 Å²	135	132.7 Å²	132.7	72%	0.722	71%	0.705	S	S	*	*			trans	-149.1	112.9	161.3	-128.7	-3	0	0	0	110.3	A21 Q25	A21-N23 PolarHBondContact O-N 3.1Å; N23-Q25 PolarHBondContact O-N 3.38Å; N23-Q25 VanDerWaalsContact O-N 3.08Å
24	P	42.1	Very low	47.1	Very low	129 Å²	129	127.5 Å²	127.5	84%	0.838	69%	0.687	S	S	*	*			trans	-86.2	47.3	-176.7	35.9	-34.3	0	0	0	112.1
25	Q	43.5	Very low	49	Very low	169 Å²	169	118.8 Å²	118.8	79%	0.79	65%	0.65	S	S	*	*			trans	-130	59.6	175.5	-72.8	-165.2	-6.3	0	0	111	N23	N23-Q25 PolarHBondContact O-N 3.38Å; N23-Q25 VanDerWaalsContact O-N 3.08Å
26	N	51.7	Low	50.8	Low	131 Å²	131	118 Å²	118	70%	0.701	65%	0.645	S	S	*	*			trans	-93.6	92.8	162.8	-76.3	-16.7	0	0	0	107.6
27	G	64.3	Low	52.7	Low	35 Å²	35	114.9 Å²	114.9	36%	0.361	63%	0.628	S	S	.	*			trans	-61.4	151.1	-175.3	0	0	0	0	0	113.6	S29 Q30 I31	G27-S29 PolarHBondContact O-N 3.47Å; G27-Q30 VanDerWaalsContact O-CB 3.28Å; G27-Q30 WeakPolarHBondContact O-CB 3.43Å; G27-Q30 PolarHBondContact O-N 3.09Å; G27-I31 PolarHBondContact O-N 3.14Å
28	L	63.5	Low	54.3	Low	75 Å²	75	108 Å²	108	39%	0.393	60%	0.599	S	S	.	*	H	α-helix	trans	-49.8	-32.4	174.8	-73.3	167.5	0	0	0	112.7	Q30 I31 L32 I68	L28-Q30 PolarHBondContact O-N 3.45Å; L28-I31 PolarHBondContact O-N 3.11Å; L28-L32 WeakPolarHBondContact O-CB 3.46Å; L28-L32 VanDerWaalsContact O-CG 3.32Å; L28-L32 WeakPolarHBondContact O-CG 3.39Å; L28-L32 PolarHBondContact O-N 2.92Å; L28-I68 HydrophobicContact CD2-CB 4.47Å; L28-I68 HydrophobicContact CD2-CG1 4.08Å; L28-I68 HydrophobicContact CD2-CG2 4.18Å
29	S	64.6	Low	56	Low	93 Å²	93	103.2 Å²	103.2	65%	0.65	57%	0.574	S	S	*	*	H	α-helix	trans	-62.5	-37.8	175.8	55.9	0	0	0	0	113.4	G27 I31 R33	G27-S29 PolarHBondContact O-N 3.47Å; S29-I31 VanDerWaalsContact C-N 3.35Å; S29-R33 WeakPolarHBondContact O-CB 3.46Å; S29-R33 PolarHBondContact O-N 3.45Å; S29-R33 VanDerWaalsContact O-N 3.14Å
30	Q	69.8	Low	57.9	Low	123 Å²	123	102.8 Å²	102.8	58%	0.575	57%	0.571	S	S	*	*	H	α-helix	trans	-66	-42.1	175.7	-165.3	93.8	13.4	0	0	110.1	G27 L28 R33 L34	G27-Q30 VanDerWaalsContact O-CB 3.28Å; G27-Q30 WeakPolarHBondContact O-CB 3.43Å; G27-Q30 PolarHBondContact O-N 3.09Å; L28-Q30 PolarHBondContact O-N 3.45Å; Q30-R33 PolarHBondContact O-N 2.88Å; Q30-L34 WeakPolarHBondContact O-CG 3.27Å; Q30-L34 PolarHBondContact O-N 3.43Å
31	I	67.6	Low	59	Low	29 Å²	29	101.9 Å²	101.9	15%	0.149	56%	0.56	C	S	.	*	H	α-helix	trans	-69.2	-43.6	-177.8	-51.8	178	0	0	0	110.6	G27 L28 S29 R33 L34 V35 A64 I68	G27-I31 PolarHBondContact O-N 3.14Å; L28-I31 PolarHBondContact O-N 3.11Å; S29-I31 VanDerWaalsContact C-N 3.35Å; I31-R33 VanDerWaalsContact C-N 3.29Å; I31-R33 PolarHBondContact O-N 3.04Å; I31-L34 PolarHBondContact O-N 3.22Å; I31-V35 WeakPolarHBondContact O-CG2 2.9Å; I31-V35 PolarHBondContact O-N 3.18Å; I31-V35 VanDerWaalsContact O-N 3.14Å; I31-A64 HydrophobicContact CG2-CB 3.51Å; I31-A64 WeakPolarHBondContact CG2-O 3.4Å; I31-I68 HydrophobicContact CB-CD1 4.19Å; I31-I68 HydrophobicContact CB-CG1 4.15Å; I31-I68 HydrophobicContact CD1-CG1 4.46Å; I31-I68 HydrophobicContact CG2-CD1 3.62Å; I31-I68 HydrophobicContact CG2-CG1 3.64Å
32	L	67.5	Low	60.7	Low	96 Å²	96	101.8 Å²	101.8	50%	0.503	54%	0.543	S	S	.	.	H	α-helix	trans	-61.6	-36.1	175	-74.3	166.2	0	0	0	112.6	L28 V35 L36 I68	L28-L32 WeakPolarHBondContact O-CB 3.46Å; L28-L32 VanDerWaalsContact O-CG 3.32Å; L28-L32 WeakPolarHBondContact O-CG 3.39Å; L28-L32 PolarHBondContact O-N 2.92Å; L32-V35 PolarHBondContact O-N 3.07Å; L32-L36 WeakPolarHBondContact O-CG 3.43Å; L32-L36 PolarHBondContact O-N 3.07Å; L32-L36 VanDerWaalsContact O-N 3.12Å; L32-I68 HydrophobicContact CD2-CD1 4.19Å; L32-I68 HydrophobicContact CG-CD1 4.4Å
33	R	72.5	Confident	61.4	Low	187 Å²	187	105.3 Å²	105.3	71%	0.706	54%	0.542	S	S	*	.	H	α-helix	trans	-67.6	-36.9	177.5	-162.7	174.2	-173.5	165.9	2	112.3	S29 Q30 I31 Q37	S29-R33 WeakPolarHBondContact O-CB 3.46Å; S29-R33 PolarHBondContact O-N 3.45Å; S29-R33 VanDerWaalsContact O-N 3.14Å; Q30-R33 PolarHBondContact O-N 2.88Å; I31-R33 VanDerWaalsContact C-N 3.29Å; I31-R33 PolarHBondContact O-N 3.04Å; R33-Q37 PolarHBondContact O-N 3.3Å; R33-Q37 VanDerWaalsContact O-N 3.16Å
34	L	69.2	Low	62.7	Low	95 Å²	95	102.2 Å²	102.2	50%	0.497	54%	0.541	S	S	.	.	H	α-helix	trans	-66.2	-42.4	175.1	-69.8	170.5	0	0	0	111.7	Q30 I31 L36 Q37 E38	Q30-L34 WeakPolarHBondContact O-CG 3.27Å; Q30-L34 PolarHBondContact O-N 3.43Å; I31-L34 PolarHBondContact O-N 3.22Å; L34-L36 PolarHBondContact O-N 3.38Å; L34-Q37 PolarHBondContact O-N 3.43Å; L34-E38 PolarHBondContact O-N 2.78Å
35	V	70.4	Confident	63.6	Low	16 Å²	16	106.2 Å²	106.2	10%	0.097	54%	0.54	C	S	.	.	H	α-helix	trans	-60	-46.2	176.3	173.9	0	0	0	0	111.2	I31 L32 Q37 E38 L39 W61 A64	I31-V35 WeakPolarHBondContact O-CG2 2.9Å; I31-V35 PolarHBondContact O-N 3.18Å; I31-V35 VanDerWaalsContact O-N 3.14Å; L32-V35 PolarHBondContact O-N 3.07Å; V35-Q37 PolarHBondContact O-N 2.85Å; V35-E38 PolarHBondContact O-N 3.18Å; V35-L39 HydrophobicContact CG1-CD1 3.85Å; V35-L39 HydrophobicContact CG1-CG 4.37Å; V35-L39 WeakPolarHBondContact O-CG 3.33Å; V35-L39 PolarHBondContact O-N 3.43Å; V35-L39 VanDerWaalsContact O-N 3.09Å; V35-W61 HydrophobicContact CG2-CB 4.38Å; V35-A64 HydrophobicContact CG2-CB 3.81Å
36	L	69.5	Low	64.1	Low	128 Å²	128	106.6 Å²	106.6	67%	0.67	55%	0.547	S	S	*	.	H	α-helix	trans	-65.3	-38.5	-180	-75.3	169.3	0	0	0	113.3	L32 L34 E38	L32-L36 WeakPolarHBondContact O-CG 3.43Å; L32-L36 PolarHBondContact O-N 3.07Å; L32-L36 VanDerWaalsContact O-N 3.12Å; L34-L36 PolarHBondContact O-N 3.38Å; L36-E38 VanDerWaalsContact C-N 3.32Å; L36-E38 PolarHBondContact O-N 3.01Å
37	Q	68.8	Low	64.6	Low	128 Å²	128	103.9 Å²	103.9	60%	0.598	54%	0.535	S	S	*	.	H	α-helix	trans	-64.7	-38.1	177.8	-107.4	178.9	-29.1	0	0	112.1	R33 L34 V35 S40	R33-Q37 PolarHBondContact O-N 3.3Å; R33-Q37 VanDerWaalsContact O-N 3.16Å; L34-Q37 PolarHBondContact O-N 3.43Å; V35-Q37 PolarHBondContact O-N 2.85Å; Q37-S40 PolarHBondContact O-OG 3.46Å
38	E	64	Low	64.6	Low	51 Å²	51	108.8 Å²	108.8	24%	0.238	55%	0.553	C	S	.	*	H	α-helix	trans	-88.7	-31.1	-170.8	-157.3	168.5	-141	0	0	113.4	L34 V35 L36 S40 L41 F42 P60 W61	L34-E38 PolarHBondContact O-N 2.78Å; V35-E38 PolarHBondContact O-N 3.18Å; L36-E38 VanDerWaalsContact C-N 3.32Å; L36-E38 PolarHBondContact O-N 3.01Å; E38-S40 PolarHBondContact O-N 3.49Å; E38-L41 WeakPolarHBondContact O-CB 3.44Å; E38-L41 PolarHBondContact O-N 2.86Å; E38-F42 PolarHBondContact O-N 3.31Å; E38-P60 VanDerWaalsContact OE1-CD 3.22Å; E38-P60 WeakPolarHBondContact OE1-CD 3.33Å; E38-P60 VanDerWaalsContact OE1-CG 3.23Å; E38-P60 WeakPolarHBondContact OE1-CG 3.26Å; E38-P60 WeakPolarHBondContact OE2-CB 3.25Å; E38-P60 WeakPolarHBondContact OE2-CD 3.28Å; E38-W61 HydrophobicContact CB-CB 4.29Å; E38-W61 WeakPolarHBondContact OE2-CB 3.49Å; E38-W61 PolarHBondContact OE2-N 2.75Å
39	L	64.7	Low	64.5	Low	71 Å²	71	107.2 Å²	107.2	37%	0.372	56%	0.556	S	S	.	*	H	α-helix	trans	-54.5	-34.6	168.7	-75.7	171.3	0	0	0	111.5	V35 L41 F42 Y43	V35-L39 HydrophobicContact CG1-CD1 3.85Å; V35-L39 HydrophobicContact CG1-CG 4.37Å; V35-L39 WeakPolarHBondContact O-CG 3.33Å; V35-L39 PolarHBondContact O-N 3.43Å; V35-L39 VanDerWaalsContact O-N 3.09Å; L39-L41 VanDerWaalsContact C-N 3.26Å; L39-L41 PolarHBondContact O-N 2.93Å; L39-F42 PolarHBondContact O-N 3.47Å; L39-Y43 WeakPolarHBondContact O-CD2 3.26Å
40	S	64.3	Low	64.5	Low	87 Å²	87	108.7 Å²	108.7	61%	0.608	56%	0.56	S	S	*	*	H	α-helix	trans	-66.3	-24	176.7	79.8	0	0	0	0	114.1	Q37 E38	Q37-S40 PolarHBondContact O-OG 3.46Å; E38-S40 PolarHBondContact O-N 3.49Å
41	L	62.3	Low	64.1	Low	129 Å²	129	106.1 Å²	106.1	68%	0.675	56%	0.555	S	S	*	*	H	α-helix	trans	-88.4	-20.3	-178.6	-66.7	170.9	0	0	0	113	E38 L39	E38-L41 WeakPolarHBondContact O-CB 3.44Å; E38-L41 PolarHBondContact O-N 2.86Å; L39-L41 VanDerWaalsContact C-N 3.26Å; L39-L41 PolarHBondContact O-N 2.93Å
42	F	62.2	Low	64	Low	89 Å²	89	108 Å²	108	39%	0.39	57%	0.565	S	S	.	*	H	α-helix	trans	-84.5	-19.5	-176.1	-130.9	-90.6	0	0	0	113.5	E38 L39 G44	E38-F42 PolarHBondContact O-N 3.31Å; L39-F42 PolarHBondContact O-N 3.47Å; F42-G44 PolarHBondContact O-N 3.39Å
43	Y	56.2	Low	63.9	Low	216 Å²	216	108.6 Å²	108.6	85%	0.847	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69	9	-175.9	-99.3	-82.9	0	0	0	116.1	L39	L39-Y43 WeakPolarHBondContact O-CD2 3.26Å
44	G	58.7	Low	64	Low	69 Å²	69	106.7 Å²	106.7	71%	0.711	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-140	17.2	-169.6	0	0	0	0	0	117.1	F42	F42-G44 PolarHBondContact O-N 3.39Å
45	R	59.7	Low	64	Low	214 Å²	214	106 Å²	106	81%	0.808	56%	0.559	S	S	*	*			trans	-125	125.8	-179.3	-67.9	-170.5	178.6	-172.1	0.6	113	V47	R45-V47 HydrophobicContact CB-CG2 3.85Å
46	D	55.7	Low	64	Low	176 Å²	176	108 Å²	108	94%	0.941	57%	0.569	S	S	*	*			trans	-92	108.5	171.7	-161.3	9.2	0	0	0	108.6
47	V	61.7	Low	64.3	Low	75 Å²	75	106.4 Å²	106.4	46%	0.455	56%	0.56	S	S	.	*			trans	-147.3	143.6	-174.5	-150.8	0	0	0	0	113.5	R45	R45-V47 HydrophobicContact CB-CG2 3.85Å
48	N	63.8	Low	64.6	Low	137 Å²	137	105.7 Å²	105.7	73%	0.733	56%	0.557	S	S	*	*			trans	-53	139.6	-177.3	-144.1	-8.7	0	0	0	114.7	V50 C51 L52	N48-V50 PolarHBondContact O-N 2.87Å; N48-C51 PolarHBondContact O-N 3.39Å; N48-L52 PolarHBondContact O-N 3.32Å; N48-L52 VanDerWaalsContact O-N 3.14Å
49	G	61.9	Low	65.2	Low	43 Å²	43	103.6 Å²	103.6	44%	0.443	55%	0.547	S	S	.	.	H	α-helix	trans	-64.2	-25.9	-160.6	0	0	0	0	0	118.3	L53	G49-L53 PolarHBondContact O-N 2.9Å
50	V	64.9	Low	65.5	Low	123 Å²	123	104 Å²	104	75%	0.745	56%	0.555	S	S	*	*	H	α-helix	trans	-81.9	-35.8	178.3	-179	0	0	0	0	111.8	N48 L52 L53 Y54	N48-V50 PolarHBondContact O-N 2.87Å; V50-L52 VanDerWaalsContact C-N 3.31Å; V50-L53 PolarHBondContact O-N 3.17Å; V50-Y54 PolarHBondContact O-N 3.19Å
51	C	60.8	Low	66	Low	69 Å²	69	101.9 Å²	101.9	47%	0.466	53%	0.533	S	S	.	.	H	α-helix	trans	-67.2	-38.5	172.8	-64.7	0	0	0	0	110.1	N48 L53 Y54 D55	N48-C51 PolarHBondContact O-N 3.39Å; C51-L53 VanDerWaalsContact C-N 3.34Å; C51-L53 PolarHBondContact O-N 2.76Å; C51-Y54 PolarHBondContact O-N 3.29Å; C51-D55 VanDerWaalsContact O-CB 3.32Å; C51-D55 WeakPolarHBondContact O-CB 3.46Å; C51-D55 PolarHBondContact O-N 2.89Å
52	L	66.2	Low	66.8	Low	70 Å²	70	97.5 Å²	97.5	37%	0.366	51%	0.51	S	S	.	.	H	α-helix	trans	-56.3	-45.1	174.3	-165.6	108.4	0	0	0	112.4	N48 V50 L56	N48-L52 PolarHBondContact O-N 3.32Å; N48-L52 VanDerWaalsContact O-N 3.14Å; V50-L52 VanDerWaalsContact C-N 3.31Å; L52-L56 WeakPolarHBondContact O-CB 3.39Å; L52-L56 PolarHBondContact O-N 3.29Å
53	L	64.9	Low	67.6	Low	108 Å²	108	97.2 Å²	97.2	57%	0.565	51%	0.51	S	S	*	.	H	α-helix	trans	-65	-42.3	177.6	-101.9	153.7	0	0	0	112.5	G49 V50 C51 L57	G49-L53 PolarHBondContact O-N 2.9Å; V50-L53 PolarHBondContact O-N 3.17Å; C51-L53 VanDerWaalsContact C-N 3.34Å; C51-L53 PolarHBondContact O-N 2.76Å; L53-L57 WeakPolarHBondContact O-CB 3.43Å; L53-L57 VanDerWaalsContact O-CG 3.28Å; L53-L57 WeakPolarHBondContact O-CG 3.42Å; L53-L57 PolarHBondContact O-N 3.14Å
54	Y	73.3	Confident	68.7	Low	147 Å²	147	87.3 Å²	87.3	58%	0.576	47%	0.473	S	S	*	.	H	α-helix	trans	-64.9	-46	177	-174.4	-94.8	0	0	0	111.5	V50 C51 L57 H58	V50-Y54 PolarHBondContact O-N 3.19Å; C51-Y54 PolarHBondContact O-N 3.29Å; Y54-L57 PolarHBondContact O-N 3.38Å; Y54-H58 AromaticContact CD2-CE1 3.8Å; Y54-H58 AromaticContact CD2-ND1 3.9Å; Y54-H58 AromaticContact CE2-CE1 3.38Å; Y54-H58 WeakPolarHBondContact CE2-CE1 3.46Å; Y54-H58 AromaticContact CE2-ND1 3.78Å; Y54-H58 AromaticContact CZ-CE1 3.69Å; Y54-H58 AromaticContact CZ-ND1 3.86Å; Y54-H58 WeakPolarHBondContact O-CB 3.3Å; Y54-H58 PolarHBondContact O-N 3.4Å; Y54-H58 PolarHBondContact O-ND1 2.77Å
55	D	69.4	Low	69.6	Low	81 Å²	81	87.7 Å²	87.7	43%	0.433	46%	0.458	S	S	.	.	H	α-helix	trans	-65.9	-37.1	178.5	-68.9	-19.6	0	0	0	111.6	C51 H58 S59	C51-D55 VanDerWaalsContact O-CB 3.32Å; C51-D55 WeakPolarHBondContact O-CB 3.46Å; C51-D55 PolarHBondContact O-N 2.89Å; D55-H58 CarbonylContact O-C 3.43Å; D55-S59 WeakPolarHBondContact O-CA 3.24Å; D55-S59 VanDerWaalsContact O-CB 3.29Å; D55-S59 WeakPolarHBondContact O-CB 3.46Å; D55-S59 PolarHBondContact O-N 2.86Å
56	L	71.4	Confident	70.6	Confident	57 Å²	57	81.5 Å²	81.5	30%	0.298	44%	0.441	S	S	.	.	H	α-helix	trans	-71.1	-41.8	178.9	-168.2	142.2	0	0	0	111.6	L52 H58 S59 W61 L62	L52-L56 WeakPolarHBondContact O-CB 3.39Å; L52-L56 PolarHBondContact O-N 3.29Å; L56-H58 VanDerWaalsContact C-N 3.33Å; L56-H58 PolarHBondContact O-N 3.42Å; L56-S59 VanDerWaalsContact O-CB 3.3Å; L56-S59 WeakPolarHBondContact O-CB 3.24Å; L56-S59 PolarHBondContact O-N 3.43Å; L56-S59 PolarHBondContact O-OG 2.92Å; L56-W61 HydrophobicContact CD1-CZ2 4.36Å; L56-W61 HydrophobicContact CG-CZ2 4.13Å; L56-L62 HydrophobicContact CD2-CD2 3.92Å; L56-L62 VanDerWaalsContact O-CD2 3.25Å; L56-L62 WeakPolarHBondContact O-CD2 3.28Å
57	L	75.1	Confident	71.7	Confident	94 Å²	94	79.4 Å²	79.4	49%	0.492	42%	0.423	S	S	.	.	H	α-helix	trans	-68.6	-31.9	176.9	-72.4	171	0	0	0	113.1	L53 Y54 S59 L62 Q63	L53-L57 WeakPolarHBondContact O-CB 3.43Å; L53-L57 VanDerWaalsContact O-CG 3.28Å; L53-L57 WeakPolarHBondContact O-CG 3.42Å; L53-L57 PolarHBondContact O-N 3.14Å; Y54-L57 PolarHBondContact O-N 3.38Å; L57-S59 VanDerWaalsContact C-N 3.34Å; L57-L62 HydrophobicContact CD2-CD2 4.39Å; L57-Q63 PolarHBondContact O-NE2 3.43Å
58	H	76.4	Confident	72.4	Confident	114 Å²	114	76.9 Å²	76.9	53%	0.528	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	3.3	174.8	-66.1	80.6	0	0	0	112.9	Y54 D55 L56 P60	Y54-H58 AromaticContact CD2-CE1 3.8Å; Y54-H58 AromaticContact CD2-ND1 3.9Å; Y54-H58 AromaticContact CE2-CE1 3.38Å; Y54-H58 WeakPolarHBondContact CE2-CE1 3.46Å; Y54-H58 AromaticContact CE2-ND1 3.78Å; Y54-H58 AromaticContact CZ-CE1 3.69Å; Y54-H58 AromaticContact CZ-ND1 3.86Å; Y54-H58 WeakPolarHBondContact O-CB 3.3Å; Y54-H58 PolarHBondContact O-N 3.4Å; Y54-H58 PolarHBondContact O-ND1 2.77Å; D55-H58 CarbonylContact O-C 3.43Å; L56-H58 VanDerWaalsContact C-N 3.33Å; L56-H58 PolarHBondContact O-N 3.42Å; H58-P60 WeakPolarHBondContact O-CD 3.3Å
59	S	75.9	Confident	73.1	Confident	6 Å²	6	77 Å²	77	4%	0.042	40%	0.398	C	S	.	.			trans	-66.4	129.1	-178.7	70.1	0	0	0	0	110.4	D55 L56 L57 W61 L62 Q63	D55-S59 WeakPolarHBondContact O-CA 3.24Å; D55-S59 VanDerWaalsContact O-CB 3.29Å; D55-S59 WeakPolarHBondContact O-CB 3.46Å; D55-S59 PolarHBondContact O-N 2.86Å; L56-S59 VanDerWaalsContact O-CB 3.3Å; L56-S59 WeakPolarHBondContact O-CB 3.24Å; L56-S59 PolarHBondContact O-N 3.43Å; L56-S59 PolarHBondContact O-OG 2.92Å; L57-S59 VanDerWaalsContact C-N 3.34Å; S59-W61 VanDerWaalsContact CB-CD1 3.49Å; S59-W61 VanDerWaalsContact CB-NE1 3.31Å; S59-W61 PolarHBondContact O-N 3.17Å; S59-W61 VanDerWaalsContact OG-CE2 3.3Å; S59-W61 PolarHBondContact OG-NE1 3.21Å; S59-W61 VanDerWaalsContact OG-NE1 3.09Å; S59-L62 PolarHBondContact O-N 3.13Å; S59-L62 WeakPolarHBondContact OG-CB 3.17Å; S59-L62 PolarHBondContact OG-N 3.32Å; S59-Q63 VanDerWaalsContact O-CG 3.31Å; S59-Q63 WeakPolarHBondContact O-CG 3.09Å; S59-Q63 PolarHBondContact O-N 2.73Å; S59-Q63 VanDerWaalsContact O-N 3.12Å
60	P	70.8	Confident	74	Confident	80 Å²	80	79.3 Å²	79.3	52%	0.519	40%	0.401	S	S	.	.	H	α-helix	trans	-57.9	-33	179.1	-23.6	31.4	0	0	0	113.2	E38 H58 Q63 A64	E38-P60 VanDerWaalsContact OE1-CD 3.22Å; E38-P60 WeakPolarHBondContact OE1-CD 3.33Å; E38-P60 VanDerWaalsContact OE1-CG 3.23Å; E38-P60 WeakPolarHBondContact OE1-CG 3.26Å; E38-P60 WeakPolarHBondContact OE2-CB 3.25Å; E38-P60 WeakPolarHBondContact OE2-CD 3.28Å; H58-P60 WeakPolarHBondContact O-CD 3.3Å; P60-Q63 PolarHBondContact O-N 2.59Å; P60-A64 WeakPolarHBondContact O-CB 3.16Å; P60-A64 PolarHBondContact O-N 2.72Å
61	W	75.1	Confident	74.4	Confident	42 Å²	42	76.1 Å²	76.1	16%	0.159	38%	0.383	C	S	.	.	H	α-helix	trans	-67.7	-40.1	176.4	71.2	-95.5	0	0	0	113.6	V35 E38 L56 S59 A64 L65	V35-W61 HydrophobicContact CG2-CB 4.38Å; E38-W61 HydrophobicContact CB-CB 4.29Å; E38-W61 WeakPolarHBondContact OE2-CB 3.49Å; E38-W61 PolarHBondContact OE2-N 2.75Å; L56-W61 HydrophobicContact CD1-CZ2 4.36Å; L56-W61 HydrophobicContact CG-CZ2 4.13Å; S59-W61 VanDerWaalsContact CB-CD1 3.49Å; S59-W61 VanDerWaalsContact CB-NE1 3.31Å; S59-W61 PolarHBondContact O-N 3.17Å; S59-W61 VanDerWaalsContact OG-CE2 3.3Å; S59-W61 PolarHBondContact OG-NE1 3.21Å; S59-W61 VanDerWaalsContact OG-NE1 3.09Å; W61-A64 WeakPolarHBondContact O-CB 3.29Å; W61-A64 PolarHBondContact O-N 3.06Å; W61-L65 HydrophobicContact CE3-CD1 3.7Å; W61-L65 HydrophobicContact CZ3-CD1 3.7Å; W61-L65 PolarHBondContact O-N 2.92Å
62	L	78.6	Confident	75.1	Confident	37 Å²	37	77.4 Å²	77.4	19%	0.194	39%	0.385	C	S	.	.	H	α-helix	trans	-68.6	-41	176.1	-178.4	66.9	0	0	0	110.1	L56 L57 S59 A64 L65 L66	L56-L62 HydrophobicContact CD2-CD2 3.92Å; L56-L62 VanDerWaalsContact O-CD2 3.25Å; L56-L62 WeakPolarHBondContact O-CD2 3.28Å; L57-L62 HydrophobicContact CD2-CD2 4.39Å; S59-L62 PolarHBondContact O-N 3.13Å; S59-L62 WeakPolarHBondContact OG-CB 3.17Å; S59-L62 PolarHBondContact OG-N 3.32Å; L62-A64 VanDerWaalsContact C-N 3.27Å; L62-A64 PolarHBondContact O-N 2.9Å; L62-L65 WeakPolarHBondContact O-CB 3.42Å; L62-L65 PolarHBondContact O-N 3.33Å; L62-L66 HydrophobicContact CG-CD1 4.38Å; L62-L66 WeakPolarHBondContact O-CG 3.33Å; L62-L66 PolarHBondContact O-N 3.29Å
63	Q	79.8	Confident	75.5	Confident	84 Å²	84	78.3 Å²	78.3	39%	0.393	39%	0.387	S	S	.	.	H	α-helix	trans	-62.3	-36.3	173.9	-65.6	-67.2	-31.9	0	0	111.8	L57 S59 P60 K67	L57-Q63 PolarHBondContact O-NE2 3.43Å; S59-Q63 VanDerWaalsContact O-CG 3.31Å; S59-Q63 WeakPolarHBondContact O-CG 3.09Å; S59-Q63 PolarHBondContact O-N 2.73Å; S59-Q63 VanDerWaalsContact O-N 3.12Å; P60-Q63 PolarHBondContact O-N 2.59Å; Q63-K67 VanDerWaalsContact O-CG 3.31Å; Q63-K67 WeakPolarHBondContact O-CG 3.49Å; Q63-K67 PolarHBondContact O-N 3.27Å; Q63-K67 VanDerWaalsContact O-N 3.08Å
64	A	78.4	Confident	75.9	Confident	8 Å²	8	78.5 Å²	78.5	7%	0.066	39%	0.385	C	S	.	.	H	α-helix	trans	-66.4	-42.6	172.7	0	0	0	0	0	112.1	I31 V35 P60 W61 L62 K67 I68	I31-A64 HydrophobicContact CG2-CB 3.51Å; I31-A64 WeakPolarHBondContact CG2-O 3.4Å; V35-A64 HydrophobicContact CG2-CB 3.81Å; P60-A64 WeakPolarHBondContact O-CB 3.16Å; P60-A64 PolarHBondContact O-N 2.72Å; W61-A64 WeakPolarHBondContact O-CB 3.29Å; W61-A64 PolarHBondContact O-N 3.06Å; L62-A64 VanDerWaalsContact C-N 3.27Å; L62-A64 PolarHBondContact O-N 2.9Å; A64-K67 PolarHBondContact O-N 3.44Å; A64-I68 WeakPolarHBondContact O-CG1 3.26Å; A64-I68 PolarHBondContact O-N 2.92Å
65	L	77.5	Confident	75.6	Confident	77 Å²	77	77.1 Å²	77.1	40%	0.403	38%	0.382	S	S	.	.	H	α-helix	trans	-63.3	-43.7	174.9	-97.8	162.6	0	0	0	112.7	W61 L62 K67 I68 Y69	W61-L65 HydrophobicContact CE3-CD1 3.7Å; W61-L65 HydrophobicContact CZ3-CD1 3.7Å; W61-L65 PolarHBondContact O-N 2.92Å; L62-L65 WeakPolarHBondContact O-CB 3.42Å; L62-L65 PolarHBondContact O-N 3.33Å; L65-K67 VanDerWaalsContact C-N 3.3Å; L65-K67 PolarHBondContact O-N 3.48Å; L65-I68 WeakPolarHBondContact O-CB 3.28Å; L65-I68 PolarHBondContact O-N 3.49Å; L65-I68 VanDerWaalsContact O-N 3.15Å; L65-Y69 WeakPolarHBondContact O-CB 3.43Å; L65-Y69 PolarHBondContact O-N 2.85Å
66	L	81.1	Confident	75.4	Confident	83 Å²	83	81.8 Å²	81.8	44%	0.435	40%	0.399	S	S	.	.	H	α-helix	trans	-60.7	-41.6	174.9	-72	168.8	0	0	0	111	L62 I68 Y69 D70	L62-L66 HydrophobicContact CG-CD1 4.38Å; L62-L66 WeakPolarHBondContact O-CG 3.33Å; L62-L66 PolarHBondContact O-N 3.29Å; L66-I68 PolarHBondContact O-N 2.9Å; L66-Y69 WeakPolarHBondContact O-CB 3.19Å; L66-Y69 PolarHBondContact O-N 3.11Å; L66-D70 VanDerWaalsContact O-CG 3.29Å; L66-D70 PolarHBondContact O-N 3.37Å
67	K	78.5	Confident	75.2	Confident	132 Å²	132	86.6 Å²	86.6	57%	0.574	42%	0.419	S	S	*	.	H	α-helix	trans	-64.2	-36.9	173.1	-74.8	175.5	-178.5	178.1	0	113.5	Q63 A64 L65 C71	Q63-K67 VanDerWaalsContact O-CG 3.31Å; Q63-K67 WeakPolarHBondContact O-CG 3.49Å; Q63-K67 PolarHBondContact O-N 3.27Å; Q63-K67 VanDerWaalsContact O-N 3.08Å; A64-K67 PolarHBondContact O-N 3.44Å; L65-K67 VanDerWaalsContact C-N 3.3Å; L65-K67 PolarHBondContact O-N 3.48Å; K67-C71 VanDerWaalsContact O-CB 3.24Å; K67-C71 WeakPolarHBondContact O-CB 3.44Å; K67-C71 PolarHBondContact O-N 2.65Å
68	I	77.6	Confident	74.8	Confident	22 Å²	22	88 Å²	88	11%	0.113	42%	0.422	C	S	.	.	H	α-helix	trans	-63.6	-45.6	173	-70.3	164.2	0	0	0	109.6	L28 I31 L32 A64 L65 L66 C71 L72	L28-I68 HydrophobicContact CD2-CB 4.47Å; L28-I68 HydrophobicContact CD2-CG1 4.08Å; L28-I68 HydrophobicContact CD2-CG2 4.18Å; I31-I68 HydrophobicContact CB-CD1 4.19Å; I31-I68 HydrophobicContact CB-CG1 4.15Å; I31-I68 HydrophobicContact CD1-CG1 4.46Å; I31-I68 HydrophobicContact CG2-CD1 3.62Å; I31-I68 HydrophobicContact CG2-CG1 3.64Å; L32-I68 HydrophobicContact CD2-CD1 4.19Å; L32-I68 HydrophobicContact CG-CD1 4.4Å; A64-I68 WeakPolarHBondContact O-CG1 3.26Å; A64-I68 PolarHBondContact O-N 2.92Å; L65-I68 WeakPolarHBondContact O-CB 3.28Å; L65-I68 PolarHBondContact O-N 3.49Å; L65-I68 VanDerWaalsContact O-N 3.15Å; L66-I68 PolarHBondContact O-N 2.9Å; I68-C71 PolarHBondContact O-N 2.68Å; I68-L72 HydrophobicContact CG2-CD1 3.73Å; I68-L72 HydrophobicContact CG2-CG 4.21Å; I68-L72 WeakPolarHBondContact O-CB 3.38Å; I68-L72 VanDerWaalsContact O-CG 3.27Å; I68-L72 WeakPolarHBondContact O-CG 3.14Å; I68-L72 PolarHBondContact O-N 3.28Å
69	Y	78.5	Confident	73.9	Confident	139 Å²	139	90.8 Å²	90.8	55%	0.545	43%	0.432	S	S	.	.	H	α-helix	trans	-58.8	-49.4	177.9	177.1	-96.2	0	0	0	111.4	L65 L66 C71 L72 Q73	L65-Y69 WeakPolarHBondContact O-CB 3.43Å; L65-Y69 PolarHBondContact O-N 2.85Å; L66-Y69 WeakPolarHBondContact O-CB 3.19Å; L66-Y69 PolarHBondContact O-N 3.11Å; Y69-C71 VanDerWaalsContact C-N 3.34Å; Y69-C71 PolarHBondContact O-N 2.95Å; Y69-L72 PolarHBondContact O-N 2.75Å; Y69-Q73 WeakPolarHBondContact O-CB 3.43Å; Y69-Q73 PolarHBondContact O-N 2.95Å; Y69-Q73 PolarHBondContact OH-OE1 2.59Å
70	D	80	Confident	73.4	Confident	93 Å²	93	96.7 Å²	96.7	50%	0.497	46%	0.463	S	S	.	.	H	α-helix	trans	-59.5	-44.6	176.4	-68.1	-20.1	0	0	0	111.3	L66 L72 Q73 E74	L66-D70 VanDerWaalsContact O-CG 3.29Å; L66-D70 PolarHBondContact O-N 3.37Å; D70-L72 PolarHBondContact O-N 3.45Å; D70-Q73 PolarHBondContact O-N 2.93Å; D70-E74 WeakPolarHBondContact O-CB 3.47Å; D70-E74 PolarHBondContact O-N 2.64Å
71	C	74.1	Confident	73.5	Confident	56 Å²	56	98.7 Å²	98.7	38%	0.378	47%	0.473	S	S	.	.	H	α-helix	trans	-63.6	-40	178.2	-169.7	0	0	0	0	112.1	K67 I68 Y69 F75	K67-C71 VanDerWaalsContact O-CB 3.24Å; K67-C71 WeakPolarHBondContact O-CB 3.44Å; K67-C71 PolarHBondContact O-N 2.65Å; I68-C71 PolarHBondContact O-N 2.68Å; Y69-C71 VanDerWaalsContact C-N 3.34Å; Y69-C71 PolarHBondContact O-N 2.95Å; C71-F75 WeakPolarHBondContact O-CB 3.44Å; C71-F75 PolarHBondContact O-N 3.43Å
72	L	74	Confident	73.6	Confident	96 Å²	96	99.2 Å²	99.2	50%	0.503	48%	0.482	S	S	.	.	H	α-helix	trans	-69.3	-37.7	176	-74.1	172.1	0	0	0	111.4	I68 Y69 D70 F75 K76	I68-L72 HydrophobicContact CG2-CD1 3.73Å; I68-L72 HydrophobicContact CG2-CG 4.21Å; I68-L72 WeakPolarHBondContact O-CB 3.38Å; I68-L72 VanDerWaalsContact O-CG 3.27Å; I68-L72 WeakPolarHBondContact O-CG 3.14Å; I68-L72 PolarHBondContact O-N 3.28Å; Y69-L72 PolarHBondContact O-N 2.75Å; D70-L72 PolarHBondContact O-N 3.45Å; L72-F75 WeakPolarHBondContact O-CB 3.42Å; L72-F75 PolarHBondContact O-N 3.3Å; L72-K76 WeakPolarHBondContact O-CB 3.35Å; L72-K76 PolarHBondContact O-N 3.42Å
73	Q	74.8	Confident	73.7	Confident	89 Å²	89	102.8 Å²	102.8	42%	0.416	52%	0.517	S	S	.	.	H	α-helix	trans	-67.4	-42.5	177.8	-168.8	167.3	-5.7	0	0	111.1	Y69 D70 F75 K76 E77	Y69-Q73 WeakPolarHBondContact O-CB 3.43Å; Y69-Q73 PolarHBondContact O-N 2.95Å; Y69-Q73 PolarHBondContact OH-OE1 2.59Å; D70-Q73 PolarHBondContact O-N 2.93Å; Q73-F75 VanDerWaalsContact C-N 3.28Å; Q73-F75 PolarHBondContact O-N 3.22Å; Q73-K76 WeakPolarHBondContact O-CB 3.43Å; Q73-K76 PolarHBondContact O-N 3Å; Q73-E77 WeakPolarHBondContact O-CG 3.39Å; Q73-E77 PolarHBondContact O-N 3.11Å
74	E	72.7	Confident	74	Confident	111 Å²	111	100.7 Å²	100.7	52%	0.519	51%	0.51	S	S	.	.	H	α-helix	trans	-62.7	-36.1	172.4	-157.3	-166.6	148.3	0	0	111.7	D70 K78	D70-E74 WeakPolarHBondContact O-CB 3.47Å; D70-E74 PolarHBondContact O-N 2.64Å; E74-K78 WeakPolarHBondContact O-CG 3.43Å; E74-K78 PolarHBondContact O-N 3.41Å; E74-K78 VanDerWaalsContact O-N 3.14Å; E74-K78 WeakPolarHBondContact OE1-CE 3.49Å; E74-K78 IonicContact OE1-NZ 3.97Å; E74-K78 PolarHBondContact OE1-NZ 3.21Å
75	F	67	Low	74.3	Confident	119 Å²	119	102.8 Å²	102.8	52%	0.522	52%	0.523	S	S	.	.	H	α-helix	trans	-70.1	-35.1	174.9	-146.6	-98.2	0	0	0	112.6	C71 L72 Q73 K78 L80	C71-F75 WeakPolarHBondContact O-CB 3.44Å; C71-F75 PolarHBondContact O-N 3.43Å; L72-F75 WeakPolarHBondContact O-CB 3.42Å; L72-F75 PolarHBondContact O-N 3.3Å; Q73-F75 VanDerWaalsContact C-N 3.28Å; Q73-F75 PolarHBondContact O-N 3.22Å; F75-K78 PolarHBondContact O-N 2.8Å; F75-L80 HydrophobicContact CD1-CD1 4.36Å; F75-L80 HydrophobicContact CE1-CD1 3.35Å; F75-L80 HydrophobicContact CE1-CG 4.14Å; F75-L80 HydrophobicContact CZ-CD1 3.49Å; F75-L80 VanDerWaalsContact CZ-CD1 3.49Å; F75-L80 HydrophobicContact CZ-CG 4.33Å
76	K	65.4	Low	75	Confident	178 Å²	178	103.6 Å²	103.6	77%	0.774	52%	0.524	S	S	*	.	H	α-helix	trans	-68.3	-37.4	176.5	-158.7	176	-176.6	-178.7	0	111.5	L72 Q73	L72-K76 WeakPolarHBondContact O-CB 3.35Å; L72-K76 PolarHBondContact O-N 3.42Å; Q73-K76 WeakPolarHBondContact O-CB 3.43Å; Q73-K76 PolarHBondContact O-N 3Å
77	E	68.1	Low	75.5	Confident	158 Å²	158	100.4 Å²	100.4	74%	0.738	51%	0.51	S	S	*	.	H	α-helix	trans	-66.7	-37	173.2	-73.5	-86.2	137.4	0	0	112.2	Q73 K79	Q73-E77 WeakPolarHBondContact O-CG 3.39Å; Q73-E77 PolarHBondContact O-N 3.11Å; E77-K79 PolarHBondContact O-N 3.48Å; E77-K79 VanDerWaalsContact O-N 3.11Å
78	K	66	Low	76	Confident	123 Å²	123	96.8 Å²	96.8	54%	0.535	50%	0.495	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-10.6	-176.9	-82.9	172.3	-174.5	162.1	0	115.5	E74 F75 L80	E74-K78 WeakPolarHBondContact O-CG 3.43Å; E74-K78 PolarHBondContact O-N 3.41Å; E74-K78 VanDerWaalsContact O-N 3.14Å; E74-K78 WeakPolarHBondContact OE1-CE 3.49Å; E74-K78 IonicContact OE1-NZ 3.97Å; E74-K78 PolarHBondContact OE1-NZ 3.21Å; F75-K78 PolarHBondContact O-N 2.8Å; K78-L80 PolarHBondContact O-N 3.15Å
79	K	58.7	Low	76.7	Confident	173 Å²	173	99.3 Å²	99.3	75%	0.752	51%	0.512	S	S	*	.			trans	29.6	77.5	-178.6	-76.5	-174.3	180	177.3	0	112	E77 V81	E77-K79 PolarHBondContact O-N 3.48Å; E77-K79 VanDerWaalsContact O-N 3.11Å; K79-V81 WeakPolarHBondContact O-CG2 3.39Å; K79-V81 PolarHBondContact O-N 2.88Å
80	L	65.6	Low	77.3	Confident	130 Å²	130	96.5 Å²	96.5	68%	0.681	51%	0.506	S	S	*	.			trans	-56.9	105.4	178.5	-67.2	178.5	0	0	0	110	F75 K78	F75-L80 HydrophobicContact CD1-CD1 4.36Å; F75-L80 HydrophobicContact CE1-CD1 3.35Å; F75-L80 HydrophobicContact CE1-CG 4.14Å; F75-L80 HydrophobicContact CZ-CD1 3.49Å; F75-L80 VanDerWaalsContact CZ-CD1 3.49Å; F75-L80 HydrophobicContact CZ-CG 4.33Å; K78-L80 PolarHBondContact O-N 3.15Å
81	V	72	Confident	77.9	Confident	123 Å²	123	92.8 Å²	92.8	75%	0.745	49%	0.487	S	S	*	.			trans	-88.9	126.8	174.1	-171	0	0	0	0	107.1	K79 A83	K79-V81 WeakPolarHBondContact O-CG2 3.39Å; K79-V81 PolarHBondContact O-N 2.88Å; V81-A83 PolarHBondContact O-N 3.35Å
82	P	77.4	Confident	78.6	Confident	52 Å²	52	95 Å²	95	34%	0.338	49%	0.488	S	S	.	.			trans	-60	138.2	173.7	26.6	-34.2	0	0	0	109.2	T84 A130	P82-T84 PolarHBondContact O-N 3.39Å; P82-A130 HydrophobicContact CB-CB 3.58Å; P82-A130 HydrophobicContact CG-CB 3.69Å
83	A	80.3	Confident	79.4	Confident	112 Å²	112	95.5 Å²	95.5	93%	0.926	49%	0.488	S	S	*	.	S	Bend	trans	-60.2	-29.7	178.9	0	0	0	0	0	112	V81	V81-A83 PolarHBondContact O-N 3.35Å
84	T	85.3	Confident	80.1	Confident	40 Å²	40	94.2 Å²	94.2	25%	0.245	49%	0.486	C	S	.	.			trans	-153.7	145.1	171.7	175.5	0	0	0	0	109.4	P82 H86 A87 L90 H126	P82-T84 PolarHBondContact O-N 3.39Å; T84-H86 VanDerWaalsContact C-N 3.3Å; T84-H86 PolarHBondContact OG1-N 2.75Å; T84-H86 VanDerWaalsContact OG1-N 3.14Å; T84-A87 HydrophobicContact CG2-CB 3.93Å; T84-L90 HydrophobicContact CG2-CD1 4.04Å; T84-H126 PolarHBondContact O-CE1 2.72Å; T84-H126 VanDerWaalsContact O-CE1 3.22Å
85	P	85.6	Confident	80.9	Confident	52 Å²	52	89.4 Å²	89.4	34%	0.338	46%	0.464	S	S	.	.	S	Bend	trans	-82.9	-3.8	171	31.2	-31.7	0	0	0	113.7	D127 Q131	P85-D127 VanDerWaalsContact O-CG 3.32Å; P85-Q131 HydrophobicContact CB-CG 3.97Å; P85-Q131 PolarHBondContact O-NE2 3.47Å
86	H	91.6	Very high	81.8	Confident	94 Å²	94	88.5 Å²	88.5	44%	0.435	46%	0.461	S	S	.	.			trans	-131.6	46.7	-170.9	-54.4	-49.8	0	0	0	112.4	T84 Q88 V89 L90 D127 Q131	T84-H86 VanDerWaalsContact C-N 3.3Å; T84-H86 PolarHBondContact OG1-N 2.75Å; T84-H86 VanDerWaalsContact OG1-N 3.14Å; H86-Q88 PolarHBondContact O-N 3.2Å; H86-V89 HydrophobicContact CB-CB 4.35Å; H86-V89 HydrophobicContact CB-CG2 4.34Å; H86-V89 PolarHBondContact O-N 2.9Å; H86-L90 PolarHBondContact O-N 3.15Å; H86-D127 WeakPolarHBondContact CA-OD2 3.44Å; H86-Q131 PolarHBondContact ND1-NE2 2.85Å; H86-Q131 VanDerWaalsContact ND1-NE2 3.18Å
87	A	91.4	Very high	82.9	Confident	17 Å²	17	85.5 Å²	85.5	14%	0.14	45%	0.453	C	S	.	.	H	α-helix	trans	-64.1	-30.8	-179	0	0	0	0	0	112.2	T84 S91 L123 D127	T84-A87 HydrophobicContact CG2-CB 3.93Å; A87-S91 PolarHBondContact O-N 3.08Å; A87-L123 HydrophobicContact CB-CD2 4Å; A87-D127 WeakPolarHBondContact CB-OD1 3.38Å; A87-D127 PolarHBondContact N-OD1 3.39Å; A87-D127 PolarHBondContact N-OD2 3.09Å; A87-D127 VanDerWaalsContact N-OD2 3.09Å
88	Q	90.7	Very high	83.8	Confident	56 Å²	56	79.5 Å²	79.5	26%	0.262	43%	0.426	S	S	.	.	H	α-helix	trans	-66.1	-42.2	177.5	-171.8	-179.9	-5.8	0	0	112	H86 S91 Y92 L123 D127	H86-Q88 PolarHBondContact O-N 3.2Å; Q88-S91 PolarHBondContact O-N 2.99Å; Q88-Y92 HydrophobicContact CG-CD2 4.21Å; Q88-Y92 HydrophobicContact CG-CE2 3.86Å; Q88-Y92 WeakPolarHBondContact O-CD2 3.2Å; Q88-Y92 PolarHBondContact O-N 3.32Å; Q88-Y92 VanDerWaalsContact O-N 3.15Å; Q88-L123 HydrophobicContact CB-CB 4.1Å; Q88-L123 HydrophobicContact CG-CB 4.5Å; Q88-D127 WeakPolarHBondContact CB-OD2 3.32Å; Q88-D127 PolarHBondContact N-OD2 3.01Å
89	V	90.9	Very high	84.5	Confident	75 Å²	75	81.2 Å²	81.2	46%	0.455	43%	0.429	S	S	.	.	H	α-helix	trans	-65.1	-45.9	178.7	178.9	0	0	0	0	110.3	H86 S91 Y92 E93	H86-V89 HydrophobicContact CB-CB 4.35Å; H86-V89 HydrophobicContact CB-CG2 4.34Å; H86-V89 PolarHBondContact O-N 2.9Å; V89-S91 VanDerWaalsContact C-N 3.29Å; V89-S91 PolarHBondContact O-N 3.1Å; V89-Y92 WeakPolarHBondContact O-CB 3.01Å; V89-Y92 PolarHBondContact O-N 3.14Å; V89-E93 PolarHBondContact O-N 3.34Å
90	L	91.7	Very high	85.5	Confident	80 Å²	80	81.1 Å²	81.1	42%	0.419	43%	0.431	S	S	.	.	H	α-helix	trans	-59.7	-40	176.2	-68.7	169.5	0	0	0	111.9	T84 H86 Y92 E93 V94	T84-L90 HydrophobicContact CG2-CD1 4.04Å; H86-L90 PolarHBondContact O-N 3.15Å; L90-Y92 VanDerWaalsContact C-N 3.28Å; L90-Y92 PolarHBondContact O-N 3.44Å; L90-E93 PolarHBondContact O-N 2.73Å; L90-V94 VanDerWaalsContact O-CG2 3.3Å; L90-V94 WeakPolarHBondContact O-CG2 3.22Å; L90-V94 PolarHBondContact O-N 3.31Å
91	S	91.7	Very high	86.1	Confident	15 Å²	15	77.9 Å²	77.9	11%	0.105	42%	0.417	C	S	.	.	H	α-helix	trans	-63	-33.8	174.8	-178.7	0	0	0	0	112.8	A87 Q88 V89 V95	A87-S91 PolarHBondContact O-N 3.08Å; Q88-S91 PolarHBondContact O-N 2.99Å; V89-S91 VanDerWaalsContact C-N 3.29Å; V89-S91 PolarHBondContact O-N 3.1Å; S91-V95 VanDerWaalsContact O-CG2 3.22Å; S91-V95 WeakPolarHBondContact O-CG2 3.46Å; S91-V95 PolarHBondContact O-N 3.45Å; S91-V95 VanDerWaalsContact O-N 3.15Å
92	Y	89.4	Confident	86.3	Confident	103 Å²	103	77.4 Å²	77.4	40%	0.404	42%	0.416	S	S	.	.	H	α-helix	trans	-69.8	-42.8	174.2	-80.4	-65.5	0	0	0	111.8	Q88 V89 L90 V94 V95 E96	Q88-Y92 HydrophobicContact CG-CD2 4.21Å; Q88-Y92 HydrophobicContact CG-CE2 3.86Å; Q88-Y92 WeakPolarHBondContact O-CD2 3.2Å; Q88-Y92 PolarHBondContact O-N 3.32Å; Q88-Y92 VanDerWaalsContact O-N 3.15Å; V89-Y92 WeakPolarHBondContact O-CB 3.01Å; V89-Y92 PolarHBondContact O-N 3.14Å; L90-Y92 VanDerWaalsContact C-N 3.28Å; L90-Y92 PolarHBondContact O-N 3.44Å; Y92-V94 PolarHBondContact O-N 3.15Å; Y92-V95 PolarHBondContact O-N 2.94Å; Y92-E96 PolarHBondContact O-N 2.95Å
93	E	90.6	Very high	86.2	Confident	106 Å²	106	81.4 Å²	81.4	50%	0.495	44%	0.44	S	S	.	.	H	α-helix	trans	-59.9	-45	175.9	-69.1	176.1	-176.1	0	0	111.7	V89 L90 V95 E96 L97	V89-E93 PolarHBondContact O-N 3.34Å; L90-E93 PolarHBondContact O-N 2.73Å; E93-V95 VanDerWaalsContact C-N 3.32Å; E93-V95 PolarHBondContact O-N 2.9Å; E93-E96 PolarHBondContact O-N 3.13Å; E93-L97 WeakPolarHBondContact O-CG 3.45Å; E93-L97 PolarHBondContact O-N 2.82Å
94	V	90	Very high	86.6	Confident	62 Å²	62	77.7 Å²	77.7	38%	0.376	41%	0.407	S	S	.	.	H	α-helix	trans	-60.4	-42.3	175.6	172.6	0	0	0	0	111	L90 Y92 E96 L97 L98 L114	L90-V94 VanDerWaalsContact O-CG2 3.3Å; L90-V94 WeakPolarHBondContact O-CG2 3.22Å; L90-V94 PolarHBondContact O-N 3.31Å; Y92-V94 PolarHBondContact O-N 3.15Å; V94-E96 VanDerWaalsContact C-N 3.34Å; V94-E96 PolarHBondContact O-N 2.92Å; V94-L97 PolarHBondContact O-N 2.95Å; V94-L98 HydrophobicContact CG1-CD1 3.86Å; V94-L98 HydrophobicContact CG1-CG 4.28Å; V94-L98 WeakPolarHBondContact O-CB 3.2Å; V94-L98 WeakPolarHBondContact O-CG 3.03Å; V94-L98 PolarHBondContact O-N 3.09Å; V94-L114 HydrophobicContact CB-CD1 4.38Å; V94-L114 HydrophobicContact CG1-CD1 3.71Å
95	V	88.6	Confident	86.6	Confident	9 Å²	9	80.2 Å²	80.2	6%	0.055	42%	0.424	C	S	.	.	H	α-helix	trans	-63.9	-37.4	177.5	166.7	0	0	0	0	112.2	S91 Y92 E93 R99 L114 Q115	S91-V95 VanDerWaalsContact O-CG2 3.22Å; S91-V95 WeakPolarHBondContact O-CG2 3.46Å; S91-V95 PolarHBondContact O-N 3.45Å; S91-V95 VanDerWaalsContact O-N 3.15Å; Y92-V95 PolarHBondContact O-N 2.94Å; E93-V95 VanDerWaalsContact C-N 3.32Å; E93-V95 PolarHBondContact O-N 2.9Å; V95-R99 PolarHBondContact O-N 2.85Å; V95-L114 HydrophobicContact CG2-CB 3.58Å; V95-L114 HydrophobicContact CG2-CD1 3.91Å; V95-L114 HydrophobicContact CG2-CG 4.42Å; V95-Q115 HydrophobicContact CG1-CG 4.01Å; V95-Q115 VanDerWaalsContact CG1-NE2 3.26Å; V95-Q115 HydrophobicContact CG2-CG 4.25Å
96	E	87.3	Confident	86.8	Confident	101 Å²	101	83.5 Å²	83.5	47%	0.472	44%	0.435	S	S	.	.	H	α-helix	trans	-70.2	-39.6	174.7	-70.5	-55.5	125.9	0	0	111.9	Y92 E93 V94 L98 R99	Y92-E96 PolarHBondContact O-N 2.95Å; E93-E96 PolarHBondContact O-N 3.13Å; V94-E96 VanDerWaalsContact C-N 3.34Å; V94-E96 PolarHBondContact O-N 2.92Å; E96-L98 VanDerWaalsContact C-N 3.32Å; E96-L98 PolarHBondContact O-N 2.9Å; E96-R99 VanDerWaalsContact O-CB 3.22Å; E96-R99 WeakPolarHBondContact O-CB 3.33Å; E96-R99 PolarHBondContact O-N 3.05Å; E96-R99 VanDerWaalsContact O-N 3.08Å; E96-R99 IonicContact OE2-NH1 3.02Å; E96-R99 PolarHBondContact OE2-NH1 2.91Å
97	L	88.4	Confident	86.5	Confident	115 Å²	115	81 Å²	81	60%	0.602	42%	0.424	S	S	*	.	H	α-helix	trans	-63.4	-37.9	174.4	-69.9	170.5	0	0	0	112.2	E93 V94 R99 E100 T101	E93-L97 WeakPolarHBondContact O-CG 3.45Å; E93-L97 PolarHBondContact O-N 2.82Å; V94-L97 PolarHBondContact O-N 2.95Å; L97-R99 PolarHBondContact O-N 3.24Å; L97-E100 PolarHBondContact O-N 2.79Å; L97-T101 PolarHBondContact O-OG1 3.2Å
98	L	86	Confident	86.1	Confident	31 Å²	31	85.7 Å²	85.7	16%	0.162	44%	0.444	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-14	175.7	-68.3	172.4	0	0	0	113.3	V94 E96 T101 I107 L110 L114	V94-L98 HydrophobicContact CG1-CD1 3.86Å; V94-L98 HydrophobicContact CG1-CG 4.28Å; V94-L98 WeakPolarHBondContact O-CB 3.2Å; V94-L98 WeakPolarHBondContact O-CG 3.03Å; V94-L98 PolarHBondContact O-N 3.09Å; E96-L98 VanDerWaalsContact C-N 3.32Å; E96-L98 PolarHBondContact O-N 2.9Å; L98-T101 WeakPolarHBondContact CA-OG1 3.33Å; L98-T101 PolarHBondContact O-OG1 3.35Å; L98-I107 HydrophobicContact CB-CG2 4.38Å; L98-I107 HydrophobicContact CD2-CG2 4.19Å; L98-L110 HydrophobicContact CD1-CD2 3.74Å; L98-L110 HydrophobicContact CD1-CG 3.95Å; L98-L110 HydrophobicContact CD2-CD2 4.48Å; L98-L114 HydrophobicContact CD1-CD1 4.28Å
99	R	81.1	Confident	86.1	Confident	160 Å²	160	88.9 Å²	88.9	60%	0.604	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-27.5	174.9	-176.8	-175.4	158.8	-178.3	-4.9	112.2	V95 E96 L97	V95-R99 PolarHBondContact O-N 2.85Å; E96-R99 VanDerWaalsContact O-CB 3.22Å; E96-R99 WeakPolarHBondContact O-CB 3.33Å; E96-R99 PolarHBondContact O-N 3.05Å; E96-R99 VanDerWaalsContact O-N 3.08Å; E96-R99 IonicContact OE2-NH1 3.02Å; E96-R99 PolarHBondContact OE2-NH1 2.91Å; L97-R99 PolarHBondContact O-N 3.24Å
100	E	78.7	Confident	86	Confident	171 Å²	171	89 Å²	89	80%	0.799	46%	0.456	S	S	*	.	S	Bend	trans	-89.2	-3	-177.7	-60	-169.5	158.9	0	0	113.4	L97	L97-E100 PolarHBondContact O-N 2.79Å
101	T	79.5	Confident	85.8	Confident	62 Å²	62	89.7 Å²	89.7	38%	0.38	45%	0.453	S	S	.	.	S	Bend	trans	-99.7	151.2	-177.1	34.8	0	0	0	0	112.9	L97 L98	L97-T101 PolarHBondContact O-OG1 3.2Å; L98-T101 WeakPolarHBondContact CA-OG1 3.33Å; L98-T101 PolarHBondContact O-OG1 3.35Å
102	P	76.3	Confident	85.6	Confident	113 Å²	113	95 Å²	95	73%	0.734	48%	0.477	S	S	*	.			trans	-63.2	137.9	-180	23.6	-31.4	0	0	0	111.6	S104 I107	P102-S104 PolarHBondContact O-N 3.11Å; P102-I107 WeakPolarHBondContact O-CD1 3.36Å
103	T	76.1	Confident	85.7	Confident	135 Å²	135	95.2 Å²	95.2	83%	0.828	48%	0.482	S	S	*	.			trans	-68.6	98.8	-171.5	46.8	0	0	0	0	112.6
104	S	87.4	Confident	85.7	Confident	35 Å²	35	91.2 Å²	91.2	25%	0.245	46%	0.464	C	S	.	.			trans	-93.7	154.6	161.1	97.1	0	0	0	0	110.1	P102 E106 I107 Q108	P102-S104 PolarHBondContact O-N 3.11Å; S104-E106 VanDerWaalsContact CB-OE2 3.3Å; S104-E106 WeakPolarHBondContact CB-OE2 3.34Å; S104-E106 PolarHBondContact O-N 2.95Å; S104-E106 PolarHBondContact OG-N 3.45Å; S104-E106 PolarHBondContact OG-OE2 2.95Å; S104-I107 PolarHBondContact O-N 3.48Å; S104-I107 WeakPolarHBondContact OG-CG1 3.4Å; S104-I107 PolarHBondContact OG-N 3.35Å; S104-Q108 PolarHBondContact O-N 3.32Å; S104-Q108 VanDerWaalsContact O-N 3.14Å
105	P	86.1	Confident	85.7	Confident	92 Å²	92	92 Å²	92	60%	0.597	46%	0.464	S	S	*	.	H	α-helix	trans	-60.9	-33.2	177.9	23	-30.2	0	0	0	112.4	Q108 E109	P105-Q108 PolarHBondContact O-N 3.12Å; P105-E109 PolarHBondContact O-N 3.15Å
106	E	88.9	Confident	85.9	Confident	121 Å²	121	92.3 Å²	92.3	57%	0.565	47%	0.467	S	S	*	.	H	α-helix	trans	-69	-38.8	177.5	-55.3	75.2	-163.3	0	0	112	S104 Q108 E109 L110	S104-E106 VanDerWaalsContact CB-OE2 3.3Å; S104-E106 WeakPolarHBondContact CB-OE2 3.34Å; S104-E106 PolarHBondContact O-N 2.95Å; S104-E106 PolarHBondContact OG-N 3.45Å; S104-E106 PolarHBondContact OG-OE2 2.95Å; E106-Q108 VanDerWaalsContact C-N 3.29Å; E106-Q108 PolarHBondContact O-N 3.44Å; E106-E109 PolarHBondContact O-N 3.01Å; E106-L110 WeakPolarHBondContact O-CB 3.4Å; E106-L110 PolarHBondContact O-N 3.31Å
107	I	86.1	Confident	86.1	Confident	41 Å²	41	92.3 Å²	92.3	21%	0.21	48%	0.476	C	S	.	.	H	α-helix	trans	-64.5	-38.7	175.4	-70.2	168	0	0	0	110.2	L98 P102 S104 R111	L98-I107 HydrophobicContact CB-CG2 4.38Å; L98-I107 HydrophobicContact CD2-CG2 4.19Å; P102-I107 WeakPolarHBondContact O-CD1 3.36Å; S104-I107 PolarHBondContact O-N 3.48Å; S104-I107 WeakPolarHBondContact OG-CG1 3.4Å; S104-I107 PolarHBondContact OG-N 3.35Å; I107-R111 VanDerWaalsContact O-CB 3.27Å; I107-R111 WeakPolarHBondContact O-CB 3.39Å; I107-R111 PolarHBondContact O-N 2.85Å
108	Q	83.6	Confident	86.3	Confident	117 Å²	117	93.5 Å²	93.5	55%	0.547	48%	0.478	S	S	.	.	H	α-helix	trans	-67.9	-40.4	177.6	-170	173.2	-2.6	0	0	112	S104 P105 E106 Q112	S104-Q108 PolarHBondContact O-N 3.32Å; S104-Q108 VanDerWaalsContact O-N 3.14Å; P105-Q108 PolarHBondContact O-N 3.12Å; E106-Q108 VanDerWaalsContact C-N 3.29Å; E106-Q108 PolarHBondContact O-N 3.44Å; Q108-Q112 WeakPolarHBondContact O-CG 3.25Å; Q108-Q112 PolarHBondContact O-N 2.92Å
109	E	89.5	Confident	86.5	Confident	123 Å²	123	95.1 Å²	95.1	58%	0.575	48%	0.484	S	S	*	.	H	α-helix	trans	-64	-49.7	175.4	-175	177.2	-169.8	0	0	111.7	P105 E106 R111 Q112 M113	P105-E109 PolarHBondContact O-N 3.15Å; E106-E109 PolarHBondContact O-N 3.01Å; E109-R111 VanDerWaalsContact C-N 3.29Å; E109-R111 PolarHBondContact O-N 3.35Å; E109-Q112 WeakPolarHBondContact O-CB 3.32Å; E109-Q112 PolarHBondContact O-N 3.15Å; E109-Q112 VanDerWaalsContact O-N 3.1Å; E109-M113 PolarHBondContact O-N 3.03Å
110	L	89.6	Confident	87	Confident	78 Å²	78	90.5 Å²	90.5	41%	0.408	47%	0.468	S	S	.	.	H	α-helix	trans	-59.4	-41.9	177.9	179.4	59.5	0	0	0	111.5	L98 E106 Q112 M113 L114	L98-L110 HydrophobicContact CD1-CD2 3.74Å; L98-L110 HydrophobicContact CD1-CG 3.95Å; L98-L110 HydrophobicContact CD2-CD2 4.48Å; E106-L110 WeakPolarHBondContact O-CB 3.4Å; E106-L110 PolarHBondContact O-N 3.31Å; L110-Q112 PolarHBondContact O-N 3Å; L110-M113 PolarHBondContact O-N 3.3Å; L110-L114 HydrophobicContact CD1-CD1 4.1Å; L110-L114 HydrophobicContact CD1-CG 4.06Å; L110-L114 HydrophobicContact CG-CD1 4.1Å; L110-L114 HydrophobicContact CG-CG 4.43Å; L110-L114 WeakPolarHBondContact O-CG 3.33Å; L110-L114 PolarHBondContact O-N 3.08Å
111	R	86.8	Confident	87.5	Confident	93 Å²	93	85.2 Å²	85.2	35%	0.351	45%	0.453	S	S	.	.	H	α-helix	trans	-62.4	-42.2	176	-175.7	176.3	176.9	-178.2	1.2	111.7	I107 E109 Q115	I107-R111 VanDerWaalsContact O-CB 3.27Å; I107-R111 WeakPolarHBondContact O-CB 3.39Å; I107-R111 PolarHBondContact O-N 2.85Å; E109-R111 VanDerWaalsContact C-N 3.29Å; E109-R111 PolarHBondContact O-N 3.35Å; R111-Q115 HydrophobicContact CG-CG 4.35Å; R111-Q115 VanDerWaalsContact O-CB 3.23Å; R111-Q115 WeakPolarHBondContact O-CB 3.48Å; R111-Q115 WeakPolarHBondContact O-CG 3.2Å; R111-Q115 PolarHBondContact O-N 3.32Å
112	Q	88.6	Confident	88.2	Confident	128 Å²	128	87.4 Å²	87.4	60%	0.598	46%	0.463	S	S	*	.	H	α-helix	trans	-63	-41.9	176.1	-78	-177.7	-4.2	0	0	111.9	Q108 E109 L110 Q115 A116	Q108-Q112 WeakPolarHBondContact O-CG 3.25Å; Q108-Q112 PolarHBondContact O-N 2.92Å; E109-Q112 WeakPolarHBondContact O-CB 3.32Å; E109-Q112 PolarHBondContact O-N 3.15Å; E109-Q112 VanDerWaalsContact O-N 3.1Å; L110-Q112 PolarHBondContact O-N 3Å; Q112-Q115 PolarHBondContact O-N 3.48Å; Q112-A116 WeakPolarHBondContact O-CB 3.48Å; Q112-A116 PolarHBondContact O-N 3.38Å
113	M	90.9	Very high	89	Confident	107 Å²	107	83.2 Å²	83.2	53%	0.527	43%	0.434	S	S	.	.	H	α-helix	trans	-63.8	-49.9	177.3	-71.1	-173.6	71.2	0	0	112.5	E109 L110 Q115 A116 F119	E109-M113 PolarHBondContact O-N 3.03Å; L110-M113 PolarHBondContact O-N 3.3Å; M113-Q115 VanDerWaalsContact C-N 3.27Å; M113-Q115 PolarHBondContact O-N 2.96Å; M113-A116 VanDerWaalsContact O-CB 3.23Å; M113-A116 WeakPolarHBondContact O-CB 3.48Å; M113-A116 PolarHBondContact O-N 3.28Å; M113-A116 VanDerWaalsContact O-N 3.14Å; M113-F119 WeakPolarHBondContact O-CB 3.17Å
114	L	90.7	Very high	89.6	Confident	21 Å²	21	79.1 Å²	79.1	11%	0.11	41%	0.41	C	S	.	.	H	α-helix	trans	-66.2	-30.4	-179.8	-66.2	179	0	0	0	112.4	V94 V95 L98 L110 A116 F119	V94-L114 HydrophobicContact CB-CD1 4.38Å; V94-L114 HydrophobicContact CG1-CD1 3.71Å; V95-L114 HydrophobicContact CG2-CB 3.58Å; V95-L114 HydrophobicContact CG2-CD1 3.91Å; V95-L114 HydrophobicContact CG2-CG 4.42Å; L98-L114 HydrophobicContact CD1-CD1 4.28Å; L110-L114 HydrophobicContact CD1-CD1 4.1Å; L110-L114 HydrophobicContact CD1-CG 4.06Å; L110-L114 HydrophobicContact CG-CD1 4.1Å; L110-L114 HydrophobicContact CG-CG 4.43Å; L110-L114 WeakPolarHBondContact O-CG 3.33Å; L110-L114 PolarHBondContact O-N 3.08Å; L114-A116 VanDerWaalsContact C-N 3.33Å; L114-F119 HydrophobicContact CD2-CD1 4Å; L114-F119 HydrophobicContact CD2-CE1 3.43Å; L114-F119 VanDerWaalsContact CD2-CE1 3.43Å; L114-F119 HydrophobicContact CD2-CZ 4.16Å
115	Q	89.4	Confident	89.7	Confident	80 Å²	80	79.7 Å²	79.7	37%	0.374	42%	0.418	S	S	.	.	H	α-helix	trans	-82.7	-11	176.7	-68.7	-175	-13.8	0	0	113.5	V95 R111 Q112 M113 K120	V95-Q115 HydrophobicContact CG1-CG 4.01Å; V95-Q115 VanDerWaalsContact CG1-NE2 3.26Å; V95-Q115 HydrophobicContact CG2-CG 4.25Å; R111-Q115 HydrophobicContact CG-CG 4.35Å; R111-Q115 VanDerWaalsContact O-CB 3.23Å; R111-Q115 WeakPolarHBondContact O-CB 3.48Å; R111-Q115 WeakPolarHBondContact O-CG 3.2Å; R111-Q115 PolarHBondContact O-N 3.32Å; Q112-Q115 PolarHBondContact O-N 3.48Å; M113-Q115 VanDerWaalsContact C-N 3.27Å; M113-Q115 PolarHBondContact O-N 2.96Å; Q115-K120 WeakPolarHBondContact O-CE 3.15Å
116	A	93.9	Very high	90	Very high	14 Å²	14	78.7 Å²	78.7	12%	0.116	41%	0.405	C	S	.	.	S	Bend	trans	-63.9	137	-176.7	0	0	0	0	0	111.5	Q112 M113 L114 H118 F119 K120	Q112-A116 WeakPolarHBondContact O-CB 3.48Å; Q112-A116 PolarHBondContact O-N 3.38Å; M113-A116 VanDerWaalsContact O-CB 3.23Å; M113-A116 WeakPolarHBondContact O-CB 3.48Å; M113-A116 PolarHBondContact O-N 3.28Å; M113-A116 VanDerWaalsContact O-N 3.14Å; L114-A116 VanDerWaalsContact C-N 3.33Å; A116-H118 VanDerWaalsContact C-N 3.28Å; A116-H118 VanDerWaalsContact CB-CE1 3.46Å; A116-H118 WeakPolarHBondContact CB-CE1 3.48Å; A116-H118 WeakPolarHBondContact CB-NE2 3.37Å; A116-H118 PolarHBondContact O-N 2.96Å; A116-F119 HydrophobicContact CB-CB 4.35Å; A116-F119 PolarHBondContact O-N 2.91Å; A116-F119 VanDerWaalsContact O-N 3.08Å; A116-K120 PolarHBondContact O-N 2.92Å
117	P	90.8	Very high	90.1	Very high	102 Å²	102	73.4 Å²	73.4	66%	0.662	38%	0.38	S	S	*	.	H	α-helix	trans	-62.6	-34.7	-171.8	23.3	-33.4	0	0	0	112.9	A121	P117-A121 WeakPolarHBondContact O-CB 3.48Å; P117-A121 PolarHBondContact O-N 3.48Å
118	H	92.5	Very high	90.1	Very high	140 Å²	140	74 Å²	74	65%	0.648	39%	0.386	S	S	*	.	H	α-helix	trans	-69.2	-36.5	176.8	44.3	-90.5	0	0	0	112.3	A116 A121 L122	A116-H118 VanDerWaalsContact C-N 3.28Å; A116-H118 VanDerWaalsContact CB-CE1 3.46Å; A116-H118 WeakPolarHBondContact CB-CE1 3.48Å; A116-H118 WeakPolarHBondContact CB-NE2 3.37Å; A116-H118 PolarHBondContact O-N 2.96Å; H118-A121 PolarHBondContact O-N 2.84Å; H118-L122 WeakPolarHBondContact O-CB 3.11Å; H118-L122 PolarHBondContact O-N 2.94Å
119	F	91.1	Very high	90.2	Very high	64 Å²	64	73.9 Å²	73.9	28%	0.281	39%	0.388	S	S	.	.	H	α-helix	trans	-70.3	-41.3	176.7	-160.1	-97.4	0	0	0	111.1	M113 L114 A116 A121 L122 L123	M113-F119 WeakPolarHBondContact O-CB 3.17Å; L114-F119 HydrophobicContact CD2-CD1 4Å; L114-F119 HydrophobicContact CD2-CE1 3.43Å; L114-F119 VanDerWaalsContact CD2-CE1 3.43Å; L114-F119 HydrophobicContact CD2-CZ 4.16Å; A116-F119 HydrophobicContact CB-CB 4.35Å; A116-F119 PolarHBondContact O-N 2.91Å; A116-F119 VanDerWaalsContact O-N 3.08Å; F119-A121 PolarHBondContact O-N 3.02Å; F119-L122 WeakPolarHBondContact O-CB 3.42Å; F119-L122 PolarHBondContact O-N 3.35Å; F119-L123 HydrophobicContact CD1-CD1 3.99Å; F119-L123 HydrophobicContact CD1-CG 4.31Å; F119-L123 HydrophobicContact CE1-CD1 3.81Å; F119-L123 HydrophobicContact CE1-CD2 4.43Å; F119-L123 HydrophobicContact CE1-CG 4.17Å; F119-L123 WeakPolarHBondContact O-CG 3.37Å; F119-L123 PolarHBondContact O-N 3.22Å
120	K	91.3	Very high	90	Very high	64 Å²	64	69 Å²	69	28%	0.278	37%	0.368	S	S	.	.	H	α-helix	trans	-61.5	-42.8	172.2	-69.1	-174.4	178.7	-173.5	0	112.8	Q115 A116 L122 L123 S124	Q115-K120 WeakPolarHBondContact O-CE 3.15Å; A116-K120 PolarHBondContact O-N 2.92Å; K120-L122 VanDerWaalsContact C-N 3.32Å; K120-L122 PolarHBondContact O-N 3.22Å; K120-L123 PolarHBondContact O-N 2.67Å; K120-S124 VanDerWaalsContact O-CB 3.31Å; K120-S124 WeakPolarHBondContact O-CB 3.36Å; K120-S124 PolarHBondContact O-N 3.34Å
121	A	89.6	Confident	89.8	Confident	59 Å²	59	69.7 Å²	69.7	49%	0.488	37%	0.369	S	S	.	.	H	α-helix	trans	-63.5	-38.6	176.3	0	0	0	0	0	111.8	P117 H118 F119 S124 A125	P117-A121 WeakPolarHBondContact O-CB 3.48Å; P117-A121 PolarHBondContact O-N 3.48Å; H118-A121 PolarHBondContact O-N 2.84Å; F119-A121 PolarHBondContact O-N 3.02Å; A121-S124 PolarHBondContact O-N 2.65Å; A121-A125 WeakPolarHBondContact O-CB 2.99Å; A121-A125 PolarHBondContact O-N 3.43Å
122	L	92.7	Very high	89.3	Confident	109 Å²	109	72.7 Å²	72.7	57%	0.571	39%	0.385	S	S	*	.	H	α-helix	trans	-61.9	-46.9	174.8	179.6	67.4	0	0	0	111.9	H118 F119 K120 A125 H126	H118-L122 WeakPolarHBondContact O-CB 3.11Å; H118-L122 PolarHBondContact O-N 2.94Å; F119-L122 WeakPolarHBondContact O-CB 3.42Å; F119-L122 PolarHBondContact O-N 3.35Å; K120-L122 VanDerWaalsContact C-N 3.32Å; K120-L122 PolarHBondContact O-N 3.22Å; L122-A125 PolarHBondContact O-N 3.01Å; L122-H126 WeakPolarHBondContact O-CB 2.97Å; L122-H126 PolarHBondContact O-N 3.24Å
123	L	92.8	Very high	88.6	Confident	25 Å²	25	70.8 Å²	70.8	13%	0.131	38%	0.379	C	S	.	.	H	α-helix	trans	-66.8	-37.4	178	-65.4	-179.9	0	0	0	112.3	A87 Q88 F119 K120 H126 D127	A87-L123 HydrophobicContact CB-CD2 4Å; Q88-L123 HydrophobicContact CB-CB 4.1Å; Q88-L123 HydrophobicContact CG-CB 4.5Å; F119-L123 HydrophobicContact CD1-CD1 3.99Å; F119-L123 HydrophobicContact CD1-CG 4.31Å; F119-L123 HydrophobicContact CE1-CD1 3.81Å; F119-L123 HydrophobicContact CE1-CD2 4.43Å; F119-L123 HydrophobicContact CE1-CG 4.17Å; F119-L123 WeakPolarHBondContact O-CG 3.37Å; F119-L123 PolarHBondContact O-N 3.22Å; K120-L123 PolarHBondContact O-N 2.67Å; L123-H126 WeakPolarHBondContact O-CB 3.46Å; L123-H126 PolarHBondContact O-N 2.79Å; L123-D127 WeakPolarHBondContact O-CB 3.36Å; L123-D127 PolarHBondContact O-N 2.97Å
124	S	90.4	Very high	87.7	Confident	48 Å²	48	71.6 Å²	71.6	34%	0.336	38%	0.38	S	S	.	.	H	α-helix	trans	-62.4	-48.8	174	176.3	0	0	0	0	111.5	K120 A121 H126 D127 T128	K120-S124 VanDerWaalsContact O-CB 3.31Å; K120-S124 WeakPolarHBondContact O-CB 3.36Å; K120-S124 PolarHBondContact O-N 3.34Å; A121-S124 PolarHBondContact O-N 2.65Å; S124-H126 VanDerWaalsContact C-N 3.33Å; S124-H126 PolarHBondContact O-N 3.33Å; S124-D127 PolarHBondContact O-N 3.3Å; S124-T128 PolarHBondContact O-N 2.93Å; S124-T128 PolarHBondContact O-OG1 3.22Å; S124-T128 VanDerWaalsContact O-OG1 3.06Å
125	A	89.4	Confident	86.7	Confident	48 Å²	48	77 Å²	77	40%	0.397	41%	0.405	S	S	.	.	H	α-helix	trans	-62.9	-39	175.6	0	0	0	0	0	112.6	A121 L122 I129	A121-A125 WeakPolarHBondContact O-CB 2.99Å; A121-A125 PolarHBondContact O-N 3.43Å; L122-A125 PolarHBondContact O-N 3.01Å; A125-I129 VanDerWaalsContact O-CG1 3.32Å; A125-I129 WeakPolarHBondContact O-CG1 3.47Å; A125-I129 PolarHBondContact O-N 3.37Å; A125-I129 VanDerWaalsContact O-N 3.11Å
126	H	91.1	Very high	85.4	Confident	71 Å²	71	78.7 Å²	78.7	33%	0.329	42%	0.423	S	S	.	.	H	α-helix	trans	-58	-50.3	172.6	168.2	-85.4	0	0	0	111.2	T84 L122 L123 S124 T128 I129 A130	T84-H126 PolarHBondContact O-CE1 2.72Å; T84-H126 VanDerWaalsContact O-CE1 3.22Å; L122-H126 WeakPolarHBondContact O-CB 2.97Å; L122-H126 PolarHBondContact O-N 3.24Å; L123-H126 WeakPolarHBondContact O-CB 3.46Å; L123-H126 PolarHBondContact O-N 2.79Å; S124-H126 VanDerWaalsContact C-N 3.33Å; S124-H126 PolarHBondContact O-N 3.33Å; H126-T128 PolarHBondContact O-N 3.43Å; H126-I129 PolarHBondContact O-N 2.95Å; H126-A130 WeakPolarHBondContact O-CB 3.19Å; H126-A130 PolarHBondContact O-N 3.26Å
127	D	92.1	Very high	83.9	Confident	9 Å²	9	85.4 Å²	85.4	5%	0.048	46%	0.455	C	S	.	.	H	α-helix	trans	-65.5	-38.5	-177.7	-72.8	1.4	0	0	0	111.5	P85 H86 A87 Q88 L123 S124 I129 A130 Q131	P85-D127 VanDerWaalsContact O-CG 3.32Å; H86-D127 WeakPolarHBondContact CA-OD2 3.44Å; A87-D127 WeakPolarHBondContact CB-OD1 3.38Å; A87-D127 PolarHBondContact N-OD1 3.39Å; A87-D127 PolarHBondContact N-OD2 3.09Å; A87-D127 VanDerWaalsContact N-OD2 3.09Å; Q88-D127 WeakPolarHBondContact CB-OD2 3.32Å; Q88-D127 PolarHBondContact N-OD2 3.01Å; L123-D127 WeakPolarHBondContact O-CB 3.36Å; L123-D127 PolarHBondContact O-N 2.97Å; S124-D127 PolarHBondContact O-N 3.3Å; D127-I129 PolarHBondContact O-N 3.49Å; D127-A130 PolarHBondContact O-N 3.05Å; D127-Q131 VanDerWaalsContact O-CB 3.23Å; D127-Q131 WeakPolarHBondContact O-CB 3.37Å; D127-Q131 WeakPolarHBondContact O-CG 3.37Å; D127-Q131 PolarHBondContact O-N 3.13Å
128	T	86.2	Confident	82.4	Confident	53 Å²	53	87.8 Å²	87.8	33%	0.325	46%	0.462	S	S	.	.	H	α-helix	trans	-57.6	-45.5	172.1	-57.2	0	0	0	0	112.1	S124 H126 K132 D133 F134	S124-T128 PolarHBondContact O-N 2.93Å; S124-T128 PolarHBondContact O-OG1 3.22Å; S124-T128 VanDerWaalsContact O-OG1 3.06Å; H126-T128 PolarHBondContact O-N 3.43Å; T128-K132 PolarHBondContact O-N 2.88Å; T128-D133 HydrophobicContact CG2-CB 4.5Å; T128-D133 VanDerWaalsContact CG2-O 3.32Å; T128-D133 WeakPolarHBondContact CG2-O 3.48Å; T128-D133 PolarHBondContact O-N 2.88Å; T128-F134 HydrophobicContact CG2-CB 4.47Å
129	I	85.2	Confident	81.2	Confident	116 Å²	116	86.2 Å²	86.2	60%	0.595	46%	0.464	S	S	*	.	H	α-helix	trans	-70	-43.7	178.4	-65.4	167	0	0	0	110.7	A125 H126 D127 Q131 K132	A125-I129 VanDerWaalsContact O-CG1 3.32Å; A125-I129 WeakPolarHBondContact O-CG1 3.47Å; A125-I129 PolarHBondContact O-N 3.37Å; A125-I129 VanDerWaalsContact O-N 3.11Å; H126-I129 PolarHBondContact O-N 2.95Å; D127-I129 PolarHBondContact O-N 3.49Å; I129-Q131 VanDerWaalsContact C-N 3.32Å; I129-Q131 PolarHBondContact O-N 3.38Å; I129-K132 PolarHBondContact O-N 3.46Å; I129-K132 VanDerWaalsContact O-N 3.09Å
130	A	85.9	Confident	79.6	Confident	20 Å²	20	89 Å²	89	17%	0.165	49%	0.489	C	S	.	.	H	α-helix	trans	-64.2	-36.7	-178.6	0	0	0	0	0	112.3	P82 H126 D127 K132	P82-A130 HydrophobicContact CB-CB 3.58Å; P82-A130 HydrophobicContact CG-CB 3.69Å; H126-A130 WeakPolarHBondContact O-CB 3.19Å; H126-A130 PolarHBondContact O-N 3.26Å; D127-A130 PolarHBondContact O-N 3.05Å; A130-K132 VanDerWaalsContact C-N 3.29Å
131	Q	83.8	Confident	77.8	Confident	92 Å²	92	92.6 Å²	92.6	43%	0.43	51%	0.51	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-5.9	175.9	-66.1	173.1	26.8	0	0	113.1	P85 H86 D127 I129 D133	P85-Q131 HydrophobicContact CB-CG 3.97Å; P85-Q131 PolarHBondContact O-NE2 3.47Å; H86-Q131 PolarHBondContact ND1-NE2 2.85Å; H86-Q131 VanDerWaalsContact ND1-NE2 3.18Å; D127-Q131 VanDerWaalsContact O-CB 3.23Å; D127-Q131 WeakPolarHBondContact O-CB 3.37Å; D127-Q131 WeakPolarHBondContact O-CG 3.37Å; D127-Q131 PolarHBondContact O-N 3.13Å; I129-Q131 VanDerWaalsContact C-N 3.32Å; I129-Q131 PolarHBondContact O-N 3.38Å; Q131-D133 HydrophobicContact CB-CB 4.38Å; Q131-D133 PolarHBondContact O-N 3.19Å
132	K	77.8	Confident	76.8	Confident	157 Å²	157	94.3 Å²	94.3	68%	0.683	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.1	27.5	-173.5	-54.1	-178.8	178.4	-178.9	0	114	T128 I129 A130 F134	T128-K132 PolarHBondContact O-N 2.88Å; I129-K132 PolarHBondContact O-N 3.46Å; I129-K132 VanDerWaalsContact O-N 3.09Å; A130-K132 VanDerWaalsContact C-N 3.29Å; K132-F134 HydrophobicContact CB-CE1 4.05Å; K132-F134 HydrophobicContact CG-CE1 4.36Å; K132-F134 PolarHBondContact O-N 3.21Å
133	D	72.8	Confident	75.3	Confident	88 Å²	88	97.1 Å²	97.1	47%	0.471	53%	0.532	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	43.1	-178.7	-167.2	28.5	0	0	0	111.8	T128 Q131	T128-D133 HydrophobicContact CG2-CB 4.5Å; T128-D133 VanDerWaalsContact CG2-O 3.32Å; T128-D133 WeakPolarHBondContact CG2-O 3.48Å; T128-D133 PolarHBondContact O-N 2.88Å; Q131-D133 HydrophobicContact CB-CB 4.38Å; Q131-D133 PolarHBondContact O-N 3.19Å
134	F	73.4	Confident	73.5	Confident	124 Å²	124	103.2 Å²	103.2	54%	0.544	57%	0.565	S	S	.	*	T	Hydrogen-bonded Turn	trans	-116.9	-6.9	178.2	58.6	-99.3	0	0	0	112.6	T128 K132	T128-F134 HydrophobicContact CG2-CB 4.47Å; K132-F134 HydrophobicContact CB-CE1 4.05Å; K132-F134 HydrophobicContact CG-CE1 4.36Å; K132-F134 PolarHBondContact O-N 3.21Å
135	E	68.9	Low	71.9	Confident	135 Å²	135	104.3 Å²	104.3	63%	0.631	57%	0.566	S	S	*	*	S	Bend	trans	-93	143.2	175.3	-66.9	-175.1	174.2	0	0	110.3	L137	E135-L137 PolarHBondContact O-N 2.89Å; E135-L137 VanDerWaalsContact O-N 3.15Å
136	P	62.4	Low	70.4	Confident	115 Å²	115	105.5 Å²	105.5	75%	0.747	57%	0.57	S	S	*	*			trans	-61	120.6	176.5	24.8	-32.1	0	0	0	109.8	L138	P136-L138 PolarHBondContact O-N 3.29Å
137	L	62.4	Low	68.6	Low	154 Å²	154	112.3 Å²	112.3	81%	0.806	60%	0.602	S	S	*	*			trans	-62.4	104.5	177	-66.9	170.6	0	0	0	109.6	E135	E135-L137 PolarHBondContact O-N 2.89Å; E135-L137 VanDerWaalsContact O-N 3.15Å
138	L	58.5	Low	66.9	Low	153 Å²	153	117 Å²	117	80%	0.801	64%	0.635	S	S	*	*	P	Polyproline II helix	trans	-71.5	141.3	170	-66.7	173.6	0	0	0	109.1	P136	P136-L138 PolarHBondContact O-N 3.29Å
139	P	67.7	Low	65.6	Low	106 Å²	106	120.4 Å²	120.4	69%	0.688	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-57.4	142.7	171.5	21.6	-28.9	0	0	0	109.9	L141	P139-L141 PolarHBondContact O-N 3.14Å
140	P	58.4	Low	64.7	Low	124 Å²	124	120.1 Å²	120.1	81%	0.805	64%	0.644	S	S	*	*	P	Polyproline II helix	trans	-59	131.8	-179.6	23.8	-32.3	0	0	0	109.8
141	L	52.7	Low	64.3	Low	138 Å²	138	123.2 Å²	123.2	72%	0.723	67%	0.669	S	S	*	*	P	Polyproline II helix	trans	-61.1	134.6	175.9	-70.8	165	0	0	0	108.8	P139 I145	P139-L141 PolarHBondContact O-N 3.14Å; L141-I145 HydrophobicContact CB-CD1 3.79Å; L141-I145 HydrophobicContact CD1-CD1 4.5Å; L141-I145 HydrophobicContact CD2-CD1 3.59Å; L141-I145 HydrophobicContact CG-CD1 4.14Å
142	P	68.3	Low	64.3	Low	95 Å²	95	122.8 Å²	122.8	62%	0.617	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-59.3	140.5	174.8	20.8	-30.4	0	0	0	111.1	N144 I145	P142-N144 PolarHBondContact O-N 3.4Å; P142-I145 HydrophobicContact CG-CD1 4.29Å; P142-I145 HydrophobicContact CG-CG1 4.1Å; P142-I145 WeakPolarHBondContact O-CG1 3.43Å
143	D	60.7	Low	64.8	Low	168 Å²	168	118.9 Å²	118.9	90%	0.898	65%	0.649	S	S	*	*	S	Bend	trans	-62.8	-3	-173.5	-64	-46.8	0	0	0	115.4
144	N	56.7	Low	65.6	Low	154 Å²	154	120.3 Å²	120.3	82%	0.824	66%	0.656	S	S	*	*			trans	-124.2	53.2	-177.5	-69.2	-43.1	0	0	0	111.7	P142	P142-N144 PolarHBondContact O-N 3.4Å
145	I	55.1	Low	66.4	Low	70 Å²	70	114.5 Å²	114.5	36%	0.359	63%	0.63	S	S	.	*			trans	-92.8	119.4	164.3	-53.9	170.4	0	0	0	106.7	L141 P142 E147 E149	L141-I145 HydrophobicContact CB-CD1 3.79Å; L141-I145 HydrophobicContact CD1-CD1 4.5Å; L141-I145 HydrophobicContact CD2-CD1 3.59Å; L141-I145 HydrophobicContact CG-CD1 4.14Å; P142-I145 HydrophobicContact CG-CD1 4.29Å; P142-I145 HydrophobicContact CG-CG1 4.1Å; P142-I145 WeakPolarHBondContact O-CG1 3.43Å; I145-E147 PolarHBondContact O-N 2.71Å; I145-E149 HydrophobicContact CG2-CB 4.4Å
146	P	58.3	Low	67.3	Low	74 Å²	74	110.9 Å²	110.9	48%	0.481	62%	0.619	S	S	.	*			trans	-55.6	132.2	170.2	-16	27.3	0	0	0	108.8	S148 E149	P146-S148 PolarHBondContact O-N 3.38Å; P146-E149 HydrophobicContact CG-CG 4.3Å; P146-E149 PolarHBondContact O-N 3.23Å; P146-E149 VanDerWaalsContact O-N 3.15Å
147	E	54.7	Low	68.5	Low	214 Å²	214	105.8 Å²	105.8	100%	1	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.8	0.7	178.9	-69.3	-177.2	156.3	0	0	114.4	I145	I145-E147 PolarHBondContact O-N 2.71Å
148	S	54.3	Low	69.7	Low	107 Å²	107	103.2 Å²	103.2	75%	0.748	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.6	2.4	-176.9	-172.8	0	0	0	0	114.5	P146 E150	P146-S148 PolarHBondContact O-N 3.38Å; S148-E150 PolarHBondContact O-N 3.23Å
149	E	59.9	Low	70.8	Confident	125 Å²	125	98.3 Å²	98.3	58%	0.584	55%	0.548	S	S	*	.			trans	-79.7	104.8	178.1	-79.4	-168.2	159.1	0	0	111.5	I145 P146	I145-E149 HydrophobicContact CG2-CB 4.4Å; P146-E149 HydrophobicContact CG-CG 4.3Å; P146-E149 PolarHBondContact O-N 3.23Å; P146-E149 VanDerWaalsContact O-N 3.15Å
150	E	67.1	Low	71.4	Confident	110 Å²	110	96.7 Å²	96.7	51%	0.514	53%	0.534	S	S	.	.			trans	-57.1	138.4	169.4	-64	175.1	160.5	0	0	110.2	S148 M152 V232	S148-E150 PolarHBondContact O-N 3.23Å; E150-M152 WeakPolarHBondContact O-CG 3.21Å; E150-M152 PolarHBondContact O-N 2.97Å; E150-V232 HydrophobicContact CB-CG1 3.82Å; E150-V232 HydrophobicContact CB-CG2 4.13Å; E150-V232 WeakPolarHBondContact OE2-CG1 3.49Å
151	A	76.8	Confident	72.1	Confident	85 Å²	85	100.7 Å²	100.7	70%	0.702	54%	0.542	S	S	*	.			trans	-61.4	114.1	-179.1	0	0	0	0	0	110.9	P233	A151-P233 WeakPolarHBondContact O-CD 3.45Å
152	M	83.9	Confident	73.2	Confident	82 Å²	82	98.4 Å²	98.4	40%	0.404	53%	0.528	S	S	.	.			trans	-96.9	141.9	-177.1	-51.8	-170.2	-167.4	0	0	111.6	E150 K230 V231 V232	E150-M152 WeakPolarHBondContact O-CG 3.21Å; E150-M152 PolarHBondContact O-N 2.97Å; M152-K230 HydrophobicContact CB-CG 4.28Å; M152-K230 HydrophobicContact SD-CD 4.18Å; M152-K230 WeakPolarHBondContact SD-CE 3.31Å; M152-K230 HydrophobicContact SD-CG 4.14Å; M152-V231 CarbonylContact C-O 3.49Å; M152-V231 WeakPolarHBondContact CA-O 3.23Å; M152-V232 HydrophobicContact CG-CG2 4.2Å
153	R	88.2	Confident	73.9	Confident	75 Å²	75	98.4 Å²	98.4	28%	0.283	53%	0.527	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	134.9	174.1	-178.1	176.3	66.1	-156.9	-7.6	109.9	V155 L193 D198 V231	R153-V155 HydrophobicContact CG-CG2 4.01Å; R153-L193 PolarHBondContact NE-O 2.93Å; R153-L193 PolarHBondContact NH2-O 3.44Å; R153-D198 IonicContact NH2-OD1 2.94Å; R153-D198 IonicContact NH2-OD2 2.88Å; R153-D198 PolarHBondContact NH2-OD2 2.93Å; R153-V231 HydrophobicContact CB-CG2 4.04Å; R153-V231 PolarHBondContact N-O 2.89Å; R153-V231 WeakPolarHBondContact O-CG2 3.34Å; R153-V231 PolarHBondContact O-N 2.86Å
154	I	89	Confident	75.2	Confident	119 Å²	119	91.6 Å²	91.6	61%	0.61	49%	0.491	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.6	125.2	170.3	-58.5	175.5	0	0	0	108.6	F229	I154-F229 CarbonylContact C-O 3.56Å; I154-F229 WeakPolarHBondContact CA-O 3.45Å
155	V	89.6	Confident	76.8	Confident	1 Å²	1	84.6 Å²	84.6	1%	0.006	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	124.9	-178.6	175.8	0	0	0	0	109.5	R153 L157 L193 L194 M228 F229 V231	R153-V155 HydrophobicContact CG-CG2 4.01Å; V155-L157 HydrophobicContact CG1-CD2 4.32Å; V155-L157 HydrophobicContact CG1-CG 4.25Å; V155-L193 HydrophobicContact CB-CB 4.39Å; V155-L193 HydrophobicContact CG1-CB 3.43Å; V155-L193 VanDerWaalsContact CG1-CB 3.43Å; V155-L193 HydrophobicContact CG1-CD1 4.01Å; V155-L193 HydrophobicContact CG1-CG 4.38Å; V155-L193 HydrophobicContact CG2-CB 4.17Å; V155-L193 WeakPolarHBondContact CG2-O 3.48Å; V155-L194 HydrophobicContact CB-CD2 4.2Å; V155-L194 HydrophobicContact CG1-CD2 3.99Å; V155-L194 HydrophobicContact CG1-CG 4Å; V155-L194 HydrophobicContact CG2-CD2 4.13Å; V155-M228 CarbonylContact O-C 3.6Å; V155-M228 WeakPolarHBondContact O-CA 3.04Å; V155-F229 HydrophobicContact CB-CB 4.25Å; V155-F229 PolarHBondContact N-O 2.84Å; V155-F229 PolarHBondContact O-N 2.88Å; V155-V231 HydrophobicContact CG2-CG2 3.93Å
156	C	89.2	Confident	78.5	Confident	60 Å²	60	83 Å²	83	41%	0.405	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	118.8	-179.8	-62.2	0	0	0	0	110.1	T226 I227 M228	C156-T226 HydrophobicContact CB-CG2 4.07Å; C156-I227 CarbonylContact C-O 3.59Å; C156-I227 WeakPolarHBondContact CA-O 3.42Å; C156-M228 VanDerWaalsContact SG-SD 3.68Å
157	L	88.1	Confident	80.2	Confident	7 Å²	7	80.7 Å²	80.7	4%	0.037	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	130.2	176	-62.8	-175.8	0	0	0	110.5	V155 K159 L164 A188 S191 L194 T226 I227 F229	V155-L157 HydrophobicContact CG1-CD2 4.32Å; V155-L157 HydrophobicContact CG1-CG 4.25Å; L157-K159 PolarHBondContact O-N 2.82Å; L157-L164 HydrophobicContact CB-CD2 4.38Å; L157-L164 HydrophobicContact CD1-CD2 4.42Å; L157-A188 HydrophobicContact CD1-CB 4.43Å; L157-S191 WeakPolarHBondContact CD2-OG 3.33Å; L157-L194 HydrophobicContact CD1-CD1 3.69Å; L157-L194 HydrophobicContact CD1-CG 4.49Å; L157-T226 CarbonylContact O-C 3.55Å; L157-T226 WeakPolarHBondContact O-CA 3.19Å; L157-I227 PolarHBondContact N-O 3.07Å; L157-I227 PolarHBondContact O-N 3.05Å; L157-F229 HydrophobicContact CB-CE2 4.33Å; L157-F229 HydrophobicContact CD1-CD2 4.42Å; L157-F229 HydrophobicContact CD1-CE2 3.88Å; L157-F229 HydrophobicContact CG-CD2 4.44Å; L157-F229 HydrophobicContact CG-CE2 4.18Å
158	V	86.4	Confident	82	Confident	100 Å²	100	72.2 Å²	72.2	61%	0.606	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.3	107.7	174.1	-176.8	0	0	0	0	108.7	N160	V158-N160 PolarHBondContact O-N 3.35Å
159	K	81.4	Confident	83.8	Confident	50 Å²	50	72.5 Å²	72.5	22%	0.217	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	123.3	178.7	-166.6	-171.6	177.9	-176.2	0	110	L157 L164 L220 A221 S223 G225 I227	L157-K159 PolarHBondContact O-N 2.82Å; K159-L164 HydrophobicContact CB-CD2 4.32Å; K159-L164 HydrophobicContact CG-CD2 4.17Å; K159-L220 PolarHBondContact NZ-O 3.23Å; K159-A221 PolarHBondContact NZ-O 3.45Å; K159-S223 WeakPolarHBondContact CD-O 3.36Å; K159-S223 PolarHBondContact NZ-O 2.97Å; K159-S223 VanDerWaalsContact NZ-O 3.14Å; K159-G225 VanDerWaalsContact CB-O 3.25Å; K159-G225 WeakPolarHBondContact CB-O 3.34Å; K159-G225 PolarHBondContact N-O 3.28Å; K159-I227 HydrophobicContact CB-CD1 3.93Å; K159-I227 HydrophobicContact CB-CG1 4.24Å; K159-I227 HydrophobicContact CD-CD1 3.68Å; K159-I227 HydrophobicContact CG-CD1 4.15Å
160	N	79.7	Confident	85.4	Confident	73 Å²	73	72.1 Å²	72.1	39%	0.39	38%	0.379	S	S	.	.			trans	-98.5	-162.7	169.6	67	4.9	0	0	0	110	V158 Q162 L187	V158-N160 PolarHBondContact O-N 3.35Å; N160-Q162 PolarHBondContact O-N 3.3Å; N160-Q162 WeakPolarHBondContact OD1-CA 3.48Å; N160-Q162 VanDerWaalsContact OD1-CB 3.25Å; N160-Q162 WeakPolarHBondContact OD1-CB 3.44Å; N160-Q162 PolarHBondContact OD1-N 3.02Å; N160-Q162 PolarHBondContact OD1-O 3.45Å; N160-L187 WeakPolarHBondContact OD1-CD1 3.49Å
161	Q	74.8	Confident	86.5	Confident	207 Å²	207	70.1 Å²	70.1	97%	0.967	37%	0.37	S	S	*	.	S	Bend	trans	-73.7	-5.8	176	-66.8	-176.4	-5.2	0	0	113.8
162	Q	76	Confident	87	Confident	91 Å²	91	75.1 Å²	75.1	43%	0.425	38%	0.379	S	S	.	.	S	Bend	trans	-95.4	157.1	178.2	-62.4	179.4	-28.2	0	0	110.9	N160	N160-Q162 PolarHBondContact O-N 3.3Å; N160-Q162 WeakPolarHBondContact OD1-CA 3.48Å; N160-Q162 VanDerWaalsContact OD1-CB 3.25Å; N160-Q162 WeakPolarHBondContact OD1-CB 3.44Å; N160-Q162 PolarHBondContact OD1-N 3.02Å; N160-Q162 PolarHBondContact OD1-O 3.45Å
163	P	82.9	Confident	87	Confident	94 Å²	94	79.6 Å²	79.6	61%	0.61	40%	0.401	S	S	*	.			trans	-59.6	154.1	169.4	26.5	-35.2	0	0	0	111.1	G165	P163-G165 PolarHBondContact O-N 2.66Å
164	L	87.5	Confident	87	Confident	25 Å²	25	80 Å²	80	13%	0.131	41%	0.412	C	S	.	.			trans	-63.2	-24.2	179.2	-64.6	176.6	0	0	0	112.3	L157 K159 L187 A188 L220 I227 F229	L157-L164 HydrophobicContact CB-CD2 4.38Å; L157-L164 HydrophobicContact CD1-CD2 4.42Å; K159-L164 HydrophobicContact CB-CD2 4.32Å; K159-L164 HydrophobicContact CG-CD2 4.17Å; L164-L187 HydrophobicContact CD2-CD1 4.02Å; L164-L187 CarbonylContact O-C 3.6Å; L164-L187 WeakPolarHBondContact O-CA 3.42Å; L164-L187 WeakPolarHBondContact O-CB 3.35Å; L164-L187 PolarHBondContact O-N 2.89Å; L164-A188 WeakPolarHBondContact O-CB 3.35Å; L164-A188 PolarHBondContact O-N 3.46Å; L164-L220 HydrophobicContact CD1-CD2 4.32Å; L164-I227 HydrophobicContact CD1-CD1 4.07Å; L164-F229 HydrophobicContact CD1-CE2 4.19Å; L164-F229 HydrophobicContact CD1-CZ 3.72Å
165	G	89.6	Confident	86.8	Confident	7 Å²	7	74.9 Å²	74.9	7%	0.072	39%	0.388	C	S	.	.	S	Bend	trans	77.4	43	-178.5	0	0	0	0	0	112.6	P163 I183	P163-G165 PolarHBondContact O-N 2.66Å; G165-I183 WeakPolarHBondContact O-CB 3.5Å; G165-I183 PolarHBondContact O-N 2.82Å
166	A	92	Very high	86.9	Confident	37 Å²	37	76.3 Å²	76.3	31%	0.306	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	145.6	168.7	0	0	0	0	0	108.5	V179 R181 I182 A188	A166-V179 HydrophobicContact CB-CG1 4.47Å; A166-R181 CarbonylContact C-O 3.51Å; A166-R181 VanDerWaalsContact CA-O 3.26Å; A166-R181 WeakPolarHBondContact CA-O 2.92Å; A166-I182 HydrophobicContact CB-CD1 3.89Å; A166-A188 HydrophobicContact CB-CB 4.02Å
167	T	92.6	Very high	87.1	Confident	25 Å²	25	73.6 Å²	73.6	15%	0.153	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	148.9	171.9	64.5	0	0	0	0	109.5	V179 A180 R181 I183 C263 A266	T167-V179 CarbonylContact O-C 3.52Å; T167-A180 PolarHBondContact O-N 2.8Å; T167-R181 PolarHBondContact N-O 3.13Å; T167-R181 PolarHBondContact O-N 3.04Å; T167-R181 WeakPolarHBondContact OG1-CB 3.2Å; T167-R181 PolarHBondContact OG1-N 2.8Å; T167-I183 HydrophobicContact CG2-CD1 4.47Å; T167-C263 HydrophobicContact CG2-CB 4.13Å; T167-A266 HydrophobicContact CG2-CB 4.49Å
168	I	93.2	Very high	87.4	Confident	36 Å²	36	74.7 Å²	74.7	19%	0.185	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	151.9	179.3	59.4	171.1	0	0	0	109.8	I177 L178 L200 P213 V216 I217	I168-I177 HydrophobicContact CB-CG2 4.11Å; I168-I177 HydrophobicContact CD1-CG2 4.07Å; I168-I177 HydrophobicContact CG2-CG2 4.48Å; I168-L178 CarbonylContact C-O 3.47Å; I168-L178 VanDerWaalsContact CA-O 3.25Å; I168-L178 WeakPolarHBondContact CA-O 3.25Å; I168-L200 HydrophobicContact CG2-CD1 3.53Å; I168-P213 HydrophobicContact CD1-CB 4.18Å; I168-P213 HydrophobicContact CG1-CB 4.28Å; I168-V216 HydrophobicContact CD1-CB 3.85Å; I168-V216 HydrophobicContact CD1-CG1 3.84Å; I168-I217 HydrophobicContact CD1-CG1 4.26Å
169	K	92.1	Very high	87.7	Confident	114 Å²	114	70.1 Å²	70.1	50%	0.496	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	152	173.4	68.6	-178.6	-179.7	175.7	0	110.1	L178 A180	K169-L178 HydrophobicContact CG-CB 4.41Å; K169-L178 PolarHBondContact N-O 2.91Å; K169-L178 PolarHBondContact O-N 3.35Å; K169-A180 HydrophobicContact CB-CB 3.96Å; K169-A180 HydrophobicContact CD-CB 3.86Å; K169-A180 HydrophobicContact CG-CB 3.79Å
170	R	92.8	Very high	88.1	Confident	116 Å²	116	69.5 Å²	69.5	44%	0.438	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	129.8	170	-168.8	169.6	-176.5	-105.6	-0.3	109.5	G175 D176 I177 P213	R170-G175 PolarHBondContact NE-O 2.83Å; R170-D176 CarbonylContact C-O 3.57Å; R170-D176 WeakPolarHBondContact CA-O 3.32Å; R170-I177 HydrophobicContact CB-CD1 4.09Å; R170-I177 HydrophobicContact CG-CD1 4.22Å; R170-P213 HydrophobicContact CB-CG 4Å
171	H	90.4	Very high	88.7	Confident	68 Å²	68	67.6 Å²	67.6	32%	0.315	35%	0.346	S	S	.	.			trans	-72.4	127.7	176.1	-171.5	-105.2	0	0	0	109.9	M173 T174 G175 D176 L178	H171-M173 VanDerWaalsContact C-N 3.33Å; H171-M173 PolarHBondContact O-N 2.98Å; H171-T174 PolarHBondContact ND1-N 3.19Å; H171-T174 PolarHBondContact ND1-OG1 3.36Å; H171-G175 VanDerWaalsContact O-CA 3.28Å; H171-G175 WeakPolarHBondContact O-CA 3.36Å; H171-G175 PolarHBondContact O-N 3.26Å; H171-D176 HydrophobicContact CB-CB 4.37Å; H171-D176 PolarHBondContact N-O 2.75Å; H171-L178 HydrophobicContact CB-CD1 3.92Å; H171-L178 HydrophobicContact CB-CG 4.3Å
172	E	86.5	Confident	89.5	Confident	191 Å²	191	59 Å²	59	89%	0.893	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-35.1	-169	-65.5	179.4	-179.8	0	0	113.5
173	M	85.6	Confident	90.3	Very high	176 Å²	176	55 Å²	55	87%	0.867	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-40.8	-175.2	-61.9	-173.5	68.7	0	0	113.6	H171	H171-M173 VanDerWaalsContact C-N 3.33Å; H171-M173 PolarHBondContact O-N 2.98Å
174	T	86.8	Confident	90.6	Very high	84 Å²	84	51.6 Å²	51.6	52%	0.515	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-19.7	-174.5	61.6	0	0	0	0	112.4	H171 D176	H171-T174 PolarHBondContact ND1-N 3.19Å; H171-T174 PolarHBondContact ND1-OG1 3.36Å; T174-D176 VanDerWaalsContact CB-OD2 3.29Å; T174-D176 WeakPolarHBondContact CB-OD2 3.46Å; T174-D176 PolarHBondContact O-N 2.57Å; T174-D176 WeakPolarHBondContact OG1-CB 3.46Å; T174-D176 VanDerWaalsContact OG1-CG 3.28Å; T174-D176 PolarHBondContact OG1-N 3.04Å; T174-D176 PolarHBondContact OG1-OD2 2.81Å
175	G	86.3	Confident	90.6	Very high	10 Å²	10	50.9 Å²	50.9	10%	0.103	26%	0.263	C	S	.	.			trans	74.9	3.4	-174	0	0	0	0	0	114.2	R170 H171	R170-G175 PolarHBondContact NE-O 2.83Å; H171-G175 VanDerWaalsContact O-CA 3.28Å; H171-G175 WeakPolarHBondContact O-CA 3.36Å; H171-G175 PolarHBondContact O-N 3.26Å
176	D	90.8	Very high	90.5	Very high	32 Å²	32	50.7 Å²	50.7	17%	0.171	26%	0.261	C	S	.	.			trans	-67.3	148	179.5	-67.4	-44.4	0	0	0	112	R170 H171 T174 L178 K199	R170-D176 CarbonylContact C-O 3.57Å; R170-D176 WeakPolarHBondContact CA-O 3.32Å; H171-D176 HydrophobicContact CB-CB 4.37Å; H171-D176 PolarHBondContact N-O 2.75Å; T174-D176 VanDerWaalsContact CB-OD2 3.29Å; T174-D176 WeakPolarHBondContact CB-OD2 3.46Å; T174-D176 PolarHBondContact O-N 2.57Å; T174-D176 WeakPolarHBondContact OG1-CB 3.46Å; T174-D176 VanDerWaalsContact OG1-CG 3.28Å; T174-D176 PolarHBondContact OG1-N 3.04Å; T174-D176 PolarHBondContact OG1-OD2 2.81Å; D176-L178 HydrophobicContact CB-CD2 4.38Å; D176-K199 HydrophobicContact CB-CD 4.24Å; D176-K199 HydrophobicContact CB-CG 4.42Å; D176-K199 WeakPolarHBondContact OD1-CE 3.42Å; D176-K199 IonicContact OD1-NZ 3.93Å; D176-K199 PolarHBondContact OD1-NZ 3.39Å; D176-K199 IonicContact OD2-NZ 3.15Å; D176-K199 PolarHBondContact OD2-NZ 3.48Å
177	I	93.9	Very high	90.4	Very high	3 Å²	3	50.4 Å²	50.4	2%	0.015	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	119	172.7	-59.5	-62	0	0	0	109.3	I168 R170 L200 V208 L211 P213 V216	I168-I177 HydrophobicContact CB-CG2 4.11Å; I168-I177 HydrophobicContact CD1-CG2 4.07Å; I168-I177 HydrophobicContact CG2-CG2 4.48Å; 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 4.2Å; I177-L200 HydrophobicContact CG2-CD1 3.89Å; I177-L200 PolarHBondContact O-N 3.14Å; I177-V208 HydrophobicContact CB-CG2 4.26Å; I177-V208 HydrophobicContact CG1-CG2 4.44Å; I177-L211 WeakPolarHBondContact CD1-O 3.42Å; I177-P213 HydrophobicContact CD1-CG 4.12Å; I177-V216 HydrophobicContact CG1-CG2 4.32Å
178	L	93.2	Very high	90.3	Very high	30 Å²	30	49.2 Å²	49.2	16%	0.157	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	146.1	-179.4	-56	179.3	0	0	0	110.5	I168 K169 H171 D176 A180 D198 K199	I168-L178 CarbonylContact C-O 3.47Å; I168-L178 VanDerWaalsContact CA-O 3.25Å; I168-L178 WeakPolarHBondContact CA-O 3.25Å; K169-L178 HydrophobicContact CG-CB 4.41Å; K169-L178 PolarHBondContact N-O 2.91Å; K169-L178 PolarHBondContact O-N 3.35Å; H171-L178 HydrophobicContact CB-CD1 3.92Å; H171-L178 HydrophobicContact CB-CG 4.3Å; D176-L178 HydrophobicContact CB-CD2 4.38Å; L178-A180 PolarHBondContact O-N 2.82Å; L178-A180 VanDerWaalsContact O-N 3.17Å; L178-D198 WeakPolarHBondContact CA-O 3.45Å; L178-K199 HydrophobicContact CD2-CB 3.58Å; L178-K199 HydrophobicContact CD2-CG 4.05Å
179	V	92.9	Very high	90.1	Very high	4 Å²	4	50.5 Å²	50.5	2%	0.024	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	111.5	165.7	-179.5	0	0	0	0	108.1	A166 T167 I182 Y195 G197 D198 L200	A166-V179 HydrophobicContact CB-CG1 4.47Å; T167-V179 CarbonylContact O-C 3.52Å; V179-I182 HydrophobicContact CG1-CD1 3.66Å; V179-I182 HydrophobicContact CG1-CG1 4.43Å; V179-Y195 WeakPolarHBondContact CB-O 3.24Å; V179-Y195 WeakPolarHBondContact CG1-O 3.22Å; V179-G197 PolarHBondContact O-N 3.21Å; V179-D198 HydrophobicContact CB-CB 4.39Å; V179-D198 HydrophobicContact CG2-CB 4.06Å; V179-D198 PolarHBondContact N-O 3.33Å; V179-L200 HydrophobicContact CG2-CD1 4Å; V179-L200 HydrophobicContact CG2-CG 4.17Å
180	A	90.9	Very high	89.9	Confident	36 Å²	36	51.7 Å²	51.7	30%	0.298	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	-41	-178.6	0	0	0	0	0	111.8	T167 K169 L178	T167-A180 PolarHBondContact O-N 2.8Å; K169-A180 HydrophobicContact CB-CB 3.96Å; K169-A180 HydrophobicContact CD-CB 3.86Å; K169-A180 HydrophobicContact CG-CB 3.79Å; L178-A180 PolarHBondContact O-N 2.82Å; L178-A180 VanDerWaalsContact O-N 3.17Å
181	R	91.2	Very high	89.6	Confident	34 Å²	34	48.1 Å²	48.1	13%	0.128	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	148.9	-177.7	-165.4	-176.2	-59.8	-89.2	-5.1	111.5	A166 T167 I183 D283 W286	A166-R181 CarbonylContact C-O 3.51Å; A166-R181 VanDerWaalsContact CA-O 3.26Å; A166-R181 WeakPolarHBondContact CA-O 2.92Å; T167-R181 PolarHBondContact N-O 3.13Å; T167-R181 PolarHBondContact O-N 3.04Å; T167-R181 WeakPolarHBondContact OG1-CB 3.2Å; T167-R181 PolarHBondContact OG1-N 2.8Å; R181-I183 HydrophobicContact CG-CD1 4.49Å; R181-D283 IonicContact CZ-OD2 3.24Å; R181-D283 IonicContact NH1-OD2 2.79Å; R181-D283 IonicContact NH2-OD2 2.9Å; R181-D283 PolarHBondContact NH2-OD2 2.66Å; R181-W286 PolarHBondContact NH1-O 3.12Å
182	I	92.3	Very high	89.5	Confident	25 Å²	25	46.6 Å²	46.6	13%	0.128	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	127.2	165.9	-57.5	-58.9	0	0	0	109	A166 V179 A188 E189 L194 Q288	A166-I182 HydrophobicContact CB-CD1 3.89Å; V179-I182 HydrophobicContact CG1-CD1 3.66Å; V179-I182 HydrophobicContact CG1-CG1 4.43Å; I182-A188 HydrophobicContact CD1-CB 4.21Å; I182-A188 HydrophobicContact CG2-CB 4.46Å; I182-E189 HydrophobicContact CG2-CB 3.65Å; I182-E189 HydrophobicContact CG2-CG 4.3Å; I182-L194 HydrophobicContact CD1-CB 3.97Å; I182-Q288 PolarHBondContact O-NE2 3.48Å; I182-Q288 PolarHBondContact O-OE1 2.91Å
183	I	91.9	Very high	89.6	Confident	9 Å²	9	41 Å²	41	5%	0.046	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-88.3	126	-179.1	-56.6	-61.6	0	0	0	110	G165 T167 R181 G186 Q288 C298 A299 L301	G165-I183 WeakPolarHBondContact O-CB 3.5Å; G165-I183 PolarHBondContact O-N 2.82Å; T167-I183 HydrophobicContact CG2-CD1 4.47Å; R181-I183 HydrophobicContact CG-CD1 4.49Å; I183-G186 PolarHBondContact O-N 2.82Å; I183-Q288 VanDerWaalsContact CA-OE1 3.3Å; I183-C298 HydrophobicContact CG2-CB 4.18Å; I183-A299 HydrophobicContact CG2-CB 4.34Å; I183-A299 WeakPolarHBondContact CG2-O 3.39Å; I183-L301 HydrophobicContact CD1-CD2 4.46Å
184	H	89.7	Confident	89.8	Confident	22 Å²	22	33 Å²	33	10%	0.102	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	135.6	-178	-74	67.6	0	0	0	111.2	G186 E189 N240 V279 D280 Q288 R290 C298 A299	H184-G186 PolarHBondContact O-N 2.76Å; H184-E189 WeakPolarHBondContact CA-OE1 3.29Å; H184-E189 WeakPolarHBondContact CA-OE2 3.42Å; H184-E189 IonicContact CD2-OE1 3.5Å; H184-E189 PolarHBondContact CD2-OE1 3.18Å; H184-E189 IonicContact CE1-OE1 2.76Å; H184-E189 IonicContact CG-OE1 3.31Å; H184-E189 IonicContact ND1-OE1 2.91Å; H184-E189 IonicContact NE2-OE1 2.63Å; H184-E189 PolarHBondContact NE2-OE1 3.32Å; H184-N240 PolarHBondContact NE2-ND2 2.77Å; H184-N240 VanDerWaalsContact NE2-ND2 3.11Å; H184-V279 HydrophobicContact CB-CB 4.4Å; H184-V279 HydrophobicContact CB-CG2 3.62Å; H184-D280 WeakPolarHBondContact CE1-CB 3.17Å; H184-D280 IonicContact CE1-OD2 2.78Å; H184-D280 PolarHBondContact CE1-OD2 3.26Å; H184-D280 IonicContact ND1-OD2 2.8Å; H184-Q288 PolarHBondContact ND1-NE2 2.74Å; H184-Q288 PolarHBondContact ND1-OE1 2.95Å; H184-R290 VanDerWaalsContact C-NH2 3.33Å; H184-R290 PolarHBondContact O-NH2 3.25Å; H184-C298 CarbonylContact O-C 3.54Å; H184-C298 WeakPolarHBondContact O-CA 3.46Å; H184-A299 HydrophobicContact CB-CB 3.89Å; H184-A299 WeakPolarHBondContact O-CB 3.33Å; H184-A299 PolarHBondContact O-N 3.12Å
185	G	87.3	Confident	90	Very high	10 Å²	10	32.9 Å²	32.9	10%	0.103	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.2	7.5	-174	0	0	0	0	0	114	E189 R190 R290	G185-E189 PolarHBondContact N-OE2 3.43Å; G185-R190 PolarHBondContact O-NH1 3.07Å; G185-R290 VanDerWaalsContact N-NH2 3.16Å
186	G	88.9	Confident	90.1	Very high	3 Å²	3	34.2 Å²	34.2	3%	0.031	19%	0.185	C	C	.	.	S	Bend	trans	-79.1	170.9	171.2	0	0	0	0	0	113.3	I183 H184 R190	I183-G186 PolarHBondContact O-N 2.82Å; H184-G186 PolarHBondContact O-N 2.76Å; G186-R190 WeakPolarHBondContact O-CG 3.4Å; G186-R190 PolarHBondContact O-N 2.98Å; G186-R190 PolarHBondContact O-NE 3.16Å
187	L	88.6	Confident	90.1	Very high	30 Å²	30	34.3 Å²	34.3	16%	0.157	19%	0.194	C	C	.	.	H	α-helix	trans	-65.9	-38.9	173.4	-72.8	170.3	0	0	0	112.2	N160 L164 R190 S191	N160-L187 WeakPolarHBondContact OD1-CD1 3.49Å; L164-L187 HydrophobicContact CD2-CD1 4.02Å; L164-L187 CarbonylContact O-C 3.6Å; L164-L187 WeakPolarHBondContact O-CA 3.42Å; L164-L187 WeakPolarHBondContact O-CB 3.35Å; L164-L187 PolarHBondContact O-N 2.89Å; L187-R190 PolarHBondContact O-N 3.47Å; L187-S191 PolarHBondContact O-N 2.85Å
188	A	90.7	Very high	89.9	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-61.8	-48.2	-179.7	0	0	0	0	0	111.1	L157 L164 A166 I182 S191 G192 L194	L157-A188 HydrophobicContact CD1-CB 4.43Å; L164-A188 WeakPolarHBondContact O-CB 3.35Å; L164-A188 PolarHBondContact O-N 3.46Å; A166-A188 HydrophobicContact CB-CB 4.02Å; I182-A188 HydrophobicContact CD1-CB 4.21Å; I182-A188 HydrophobicContact CG2-CB 4.46Å; A188-S191 PolarHBondContact O-N 3.35Å; A188-S191 PolarHBondContact O-OG 3.11Å; A188-G192 PolarHBondContact O-N 3.47Å; A188-L194 HydrophobicContact CB-CD1 4.35Å
189	E	88.9	Confident	89.9	Confident	64 Å²	64	35.4 Å²	35.4	30%	0.299	20%	0.197	S	C	.	.	H	α-helix	trans	-60.8	-50.4	175.4	-172.1	-166.8	-123.1	0	0	111.8	I182 H184 G185 S191 G192	I182-E189 HydrophobicContact CG2-CB 3.65Å; I182-E189 HydrophobicContact CG2-CG 4.3Å; H184-E189 WeakPolarHBondContact CA-OE1 3.29Å; H184-E189 WeakPolarHBondContact CA-OE2 3.42Å; H184-E189 IonicContact CD2-OE1 3.5Å; H184-E189 PolarHBondContact CD2-OE1 3.18Å; H184-E189 IonicContact CE1-OE1 2.76Å; H184-E189 IonicContact CG-OE1 3.31Å; H184-E189 IonicContact ND1-OE1 2.91Å; H184-E189 IonicContact NE2-OE1 2.63Å; H184-E189 PolarHBondContact NE2-OE1 3.32Å; G185-E189 PolarHBondContact N-OE2 3.43Å; E189-S191 PolarHBondContact O-N 3.48Å; E189-S191 VanDerWaalsContact O-N 3.15Å; E189-G192 PolarHBondContact O-N 3.15Å
190	R	87.7	Confident	89.9	Confident	139 Å²	139	35.6 Å²	35.6	53%	0.525	20%	0.198	S	C	.	.	H	α-helix	trans	-59.9	-28.3	-178.4	-75.2	-171.9	-65.9	-104.2	-4	113.4	G185 G186 L187 G192	G185-R190 PolarHBondContact O-NH1 3.07Å; G186-R190 WeakPolarHBondContact O-CG 3.4Å; G186-R190 PolarHBondContact O-N 2.98Å; G186-R190 PolarHBondContact O-NE 3.16Å; L187-R190 PolarHBondContact O-N 3.47Å; R190-G192 VanDerWaalsContact C-N 3.34Å
191	S	87.9	Confident	90	Very high	41 Å²	41	35.4 Å²	35.4	29%	0.287	19%	0.194	S	C	.	.	H	α-helix	trans	-70.7	-32.3	175.5	77.3	0	0	0	0	112.5	L157 L187 A188 E189 L193	L157-S191 WeakPolarHBondContact CD2-OG 3.33Å; L187-S191 PolarHBondContact O-N 2.85Å; A188-S191 PolarHBondContact O-N 3.35Å; A188-S191 PolarHBondContact O-OG 3.11Å; E189-S191 PolarHBondContact O-N 3.48Å; E189-S191 VanDerWaalsContact O-N 3.15Å; S191-L193 WeakPolarHBondContact O-CG 3.34Å; S191-L193 PolarHBondContact O-N 3.37Å; S191-L193 PolarHBondContact OG-N 3.08Å; S191-L193 VanDerWaalsContact OG-N 3.12Å
192	G	87.3	Confident	90	Very high	35 Å²	35	36.5 Å²	36.5	36%	0.361	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.8	15.6	-170.6	0	0	0	0	0	114.2	A188 E189 R190 Y195	A188-G192 PolarHBondContact O-N 3.47Å; E189-G192 PolarHBondContact O-N 3.15Å; R190-G192 VanDerWaalsContact C-N 3.34Å; G192-Y195 PolarHBondContact O-OH 2.86Å; G192-Y195 VanDerWaalsContact O-OH 3.12Å
193	L	87.9	Confident	90	Very high	73 Å²	73	35.4 Å²	35.4	38%	0.382	19%	0.194	S	C	.	.			trans	-104.5	-11.6	-173.9	-58.6	179.3	0	0	0	114.1	R153 V155 S191	R153-L193 PolarHBondContact NE-O 2.93Å; R153-L193 PolarHBondContact NH2-O 3.44Å; V155-L193 HydrophobicContact CB-CB 4.39Å; V155-L193 HydrophobicContact CG1-CB 3.43Å; V155-L193 VanDerWaalsContact CG1-CB 3.43Å; V155-L193 HydrophobicContact CG1-CD1 4.01Å; V155-L193 HydrophobicContact CG1-CG 4.38Å; V155-L193 HydrophobicContact CG2-CB 4.17Å; V155-L193 WeakPolarHBondContact CG2-O 3.48Å; S191-L193 WeakPolarHBondContact O-CG 3.34Å; S191-L193 PolarHBondContact O-N 3.37Å; S191-L193 PolarHBondContact OG-N 3.08Å; S191-L193 VanDerWaalsContact OG-N 3.12Å
194	L	90.7	Very high	89.8	Confident	9 Å²	9	37.9 Å²	37.9	5%	0.047	21%	0.208	C	C	.	.			trans	-122.9	138.8	177.2	-69.2	179.8	0	0	0	110.2	V155 L157 I182 A188 V231	V155-L194 HydrophobicContact CB-CD2 4.2Å; V155-L194 HydrophobicContact CG1-CD2 3.99Å; V155-L194 HydrophobicContact CG1-CG 4Å; V155-L194 HydrophobicContact CG2-CD2 4.13Å; L157-L194 HydrophobicContact CD1-CD1 3.69Å; L157-L194 HydrophobicContact CD1-CG 4.49Å; I182-L194 HydrophobicContact CD1-CB 3.97Å; A188-L194 HydrophobicContact CB-CD1 4.35Å; L194-V231 HydrophobicContact CD2-CG1 4.09Å
195	Y	90.1	Very high	89.6	Confident	82 Å²	82	39.8 Å²	39.8	32%	0.322	23%	0.234	S	C	.	.			trans	-126.4	154.4	179.2	-60.8	-88.7	0	0	0	111	V179 G192 G197 D198 P237	V179-Y195 WeakPolarHBondContact CB-O 3.24Å; V179-Y195 WeakPolarHBondContact CG1-O 3.22Å; G192-Y195 PolarHBondContact O-OH 2.86Å; G192-Y195 VanDerWaalsContact O-OH 3.12Å; Y195-G197 PolarHBondContact O-N 3.01Å; Y195-D198 PolarHBondContact N-OD2 3.38Å; Y195-D198 WeakPolarHBondContact O-CB 3.25Å; Y195-D198 PolarHBondContact O-N 3.11Å; Y195-P237 HydrophobicContact CD1-CB 3.66Å; Y195-P237 HydrophobicContact CE1-CB 3.96Å; Y195-P237 HydrophobicContact CG-CB 3.97Å
196	A	89.7	Confident	89.6	Confident	37 Å²	37	42.8 Å²	42.8	31%	0.306	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	130.6	169.7	0	0	0	0	0	109.2
197	G	89.4	Confident	89.7	Confident	35 Å²	35	45.4 Å²	45.4	36%	0.361	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	100.7	-15.4	-173.3	0	0	0	0	0	114.6	V179 Y195 K199	V179-G197 PolarHBondContact O-N 3.21Å; Y195-G197 PolarHBondContact O-N 3.01Å; G197-K199 PolarHBondContact O-N 3.22Å
198	D	91.6	Very high	89.8	Confident	1 Å²	1	44 Å²	44	1%	0.005	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-59.6	130.6	175.6	-74.4	-8.9	0	0	0	110.4	R153 L178 V179 Y195 V231 P233 V234	R153-D198 IonicContact NH2-OD1 2.94Å; R153-D198 IonicContact NH2-OD2 2.88Å; R153-D198 PolarHBondContact NH2-OD2 2.93Å; L178-D198 WeakPolarHBondContact CA-O 3.45Å; V179-D198 HydrophobicContact CB-CB 4.39Å; V179-D198 HydrophobicContact CG2-CB 4.06Å; V179-D198 PolarHBondContact N-O 3.33Å; Y195-D198 PolarHBondContact N-OD2 3.38Å; Y195-D198 WeakPolarHBondContact O-CB 3.25Å; Y195-D198 PolarHBondContact O-N 3.11Å; D198-V231 HydrophobicContact CB-CB 4.48Å; D198-P233 WeakPolarHBondContact OD1-CA 3.28Å; D198-V234 PolarHBondContact OD1-N 3.21Å
199	K	92.6	Very high	89.7	Confident	54 Å²	54	51.5 Å²	51.5	24%	0.235	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	121.9	175.5	170.7	176.4	172.5	166.4	0	109.8	D176 L178 G197 V201 V231 V232	D176-K199 HydrophobicContact CB-CD 4.24Å; D176-K199 HydrophobicContact CB-CG 4.42Å; D176-K199 WeakPolarHBondContact OD1-CE 3.42Å; D176-K199 IonicContact OD1-NZ 3.93Å; D176-K199 PolarHBondContact OD1-NZ 3.39Å; D176-K199 IonicContact OD2-NZ 3.15Å; D176-K199 PolarHBondContact OD2-NZ 3.48Å; L178-K199 HydrophobicContact CD2-CB 3.58Å; L178-K199 HydrophobicContact CD2-CG 4.05Å; G197-K199 PolarHBondContact O-N 3.22Å; K199-V201 HydrophobicContact CG-CG2 4.48Å; K199-V231 CarbonylContact O-C 3.58Å; K199-V231 WeakPolarHBondContact O-CA 3.37Å; K199-V231 WeakPolarHBondContact O-CB 3.38Å; K199-V232 HydrophobicContact CB-CB 4.18Å; K199-V232 PolarHBondContact N-O 2.98Å; K199-V232 PolarHBondContact O-N 3.28Å
200	L	92.9	Very high	89.5	Confident	8 Å²	8	51.2 Å²	51.2	4%	0.042	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	123.7	176.6	-70.9	160.1	0	0	0	109.1	I168 I177 V179 V208 F229 V231	I168-L200 HydrophobicContact CG2-CD1 3.53Å; I177-L200 HydrophobicContact CB-CB 4.41Å; I177-L200 HydrophobicContact CG2-CB 4.2Å; I177-L200 HydrophobicContact CG2-CD1 3.89Å; I177-L200 PolarHBondContact O-N 3.14Å; V179-L200 HydrophobicContact CG2-CD1 4Å; V179-L200 HydrophobicContact CG2-CG 4.17Å; L200-V208 HydrophobicContact CB-CG2 4.04Å; L200-V208 WeakPolarHBondContact O-CG2 3.48Å; L200-F229 HydrophobicContact CD2-CB 4.32Å; L200-F229 HydrophobicContact CD2-CD1 3.48Å; L200-F229 VanDerWaalsContact CD2-CD1 3.48Å; L200-F229 HydrophobicContact CD2-CE1 4.13Å; L200-F229 HydrophobicContact CD2-CG 4.24Å; L200-V231 HydrophobicContact CD2-CG1 3.67Å; L200-V231 HydrophobicContact CG-CG1 4.44Å
201	V	92.7	Very high	89.6	Confident	33 Å²	33	46.3 Å²	46.3	20%	0.2	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	-45.3	-179.8	-174.4	0	0	0	0	110.8	K199 V208 K230 V232	K199-V201 HydrophobicContact CG-CG2 4.48Å; V201-V208 WeakPolarHBondContact O-CG2 3.4Å; V201-V208 PolarHBondContact O-N 3.16Å; V201-K230 WeakPolarHBondContact CB-O 3.33Å; V201-K230 PolarHBondContact N-O 3.23Å; V201-V232 HydrophobicContact CG2-CG2 3.94Å
202	E	92.3	Very high	89.7	Confident	57 Å²	57	47.6 Å²	47.6	27%	0.266	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	147.5	177.5	-61.9	166.6	-152.2	0	0	111.7	V206 F229 K230	E202-V206 CarbonylContact C-O 3.55Å; E202-V206 VanDerWaalsContact CA-O 3.26Å; E202-V206 WeakPolarHBondContact CA-O 3.4Å; E202-F229 WeakPolarHBondContact O-CA 3.45Å; E202-K230 HydrophobicContact CB-CB 3.86Å; E202-K230 HydrophobicContact CB-CD 4.46Å; E202-K230 HydrophobicContact CG-CB 4.42Å; E202-K230 HydrophobicContact CG-CD 4.2Å; E202-K230 PolarHBondContact N-O 3.43Å; E202-K230 PolarHBondContact O-N 3.05Å; E202-K230 WeakPolarHBondContact OE1-CD 3.34Å; E202-K230 IonicContact OE1-NZ 2.98Å; E202-K230 PolarHBondContact OE1-NZ 3.09Å
203	V	91.1	Very high	89.9	Confident	1 Å²	1	47 Å²	47	1%	0.006	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	117.6	171.1	179	0	0	0	0	108.4	G205 V206 V208 V216 I219 L220 I227 M228 F229	V203-G205 PolarHBondContact O-N 3.49Å; V203-V206 PolarHBondContact N-O 3.37Å; V203-V206 WeakPolarHBondContact O-CB 3.3Å; V203-V206 PolarHBondContact O-N 3.43Å; V203-V208 HydrophobicContact CB-CG1 4.24Å; V203-V208 HydrophobicContact CG2-CG1 3.68Å; V203-V216 HydrophobicContact CG2-CG1 4.36Å; V203-I219 HydrophobicContact CG1-CG2 4.18Å; V203-L220 HydrophobicContact CG1-CD2 3.56Å; V203-L220 HydrophobicContact CG1-CG 4.27Å; V203-I227 HydrophobicContact CG1-CG2 4.06Å; V203-M228 WeakPolarHBondContact CA-O 3.27Å; V203-F229 HydrophobicContact CG1-CE1 4.31Å; V203-F229 HydrophobicContact CG2-CD1 3.84Å; V203-F229 HydrophobicContact CG2-CE1 3.93Å
204	N	88.3	Confident	90	Very high	61 Å²	61	49.9 Å²	49.9	33%	0.326	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.9	35.7	-177.4	-70.2	-20.8	0	0	0	113.8	V206 S223 I227 M228	N204-V206 VanDerWaalsContact C-N 3.29Å; N204-V206 PolarHBondContact O-N 3.37Å; N204-S223 WeakPolarHBondContact ND2-CB 3.49Å; N204-S223 PolarHBondContact ND2-OG 3.12Å; N204-I227 WeakPolarHBondContact OD1-CA 2.94Å; N204-M228 PolarHBondContact N-O 2.7Å; N204-M228 PolarHBondContact OD1-N 3.21Å
205	G	84.6	Confident	90.1	Very high	63 Å²	63	53.6 Å²	53.6	65%	0.649	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.6	3.1	-178.3	0	0	0	0	0	114.9	V203	V203-G205 PolarHBondContact O-N 3.49Å
206	V	88.6	Confident	90.1	Very high	72 Å²	72	49.7 Å²	49.7	44%	0.436	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	123.4	171.3	-176.2	0	0	0	0	108.7	E202 V203 N204 I219	E202-V206 CarbonylContact C-O 3.55Å; E202-V206 VanDerWaalsContact CA-O 3.26Å; E202-V206 WeakPolarHBondContact CA-O 3.4Å; V203-V206 PolarHBondContact N-O 3.37Å; V203-V206 WeakPolarHBondContact O-CB 3.3Å; V203-V206 PolarHBondContact O-N 3.43Å; N204-V206 VanDerWaalsContact C-N 3.29Å; N204-V206 PolarHBondContact O-N 3.37Å; V206-I219 HydrophobicContact CG1-CD1 4.17Å
207	S	90.7	Very high	90	Very high	59 Å²	59	52.5 Å²	52.5	41%	0.413	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	134.8	173.5	-179.3	0	0	0	0	110.4	E209	S207-E209 PolarHBondContact OG-N 3.49Å
208	V	91	Very high	90	Very high	1 Å²	1	56.6 Å²	56.6	1%	0.006	32%	0.319	C	S	.	.			trans	-96.7	2.3	175.5	-57.7	0	0	0	0	113.2	I177 L200 V201 V203 G210 L211 V216	I177-V208 HydrophobicContact CB-CG2 4.26Å; I177-V208 HydrophobicContact CG1-CG2 4.44Å; L200-V208 HydrophobicContact CB-CG2 4.04Å; L200-V208 WeakPolarHBondContact O-CG2 3.48Å; V201-V208 WeakPolarHBondContact O-CG2 3.4Å; V201-V208 PolarHBondContact O-N 3.16Å; V203-V208 HydrophobicContact CB-CG1 4.24Å; V203-V208 HydrophobicContact CG2-CG1 3.68Å; V208-G210 PolarHBondContact O-N 3.09Å; V208-L211 HydrophobicContact CB-CD1 4.42Å; V208-L211 PolarHBondContact O-N 3.18Å; V208-V216 HydrophobicContact CB-CG2 4.04Å; V208-V216 HydrophobicContact CG1-CG1 4.19Å; V208-V216 HydrophobicContact CG1-CG2 3.99Å
209	E	87.9	Confident	89.8	Confident	157 Å²	157	58.4 Å²	58.4	73%	0.734	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	129.1	178.1	-169.5	179.1	-177.4	0	0	111.1	S207 L211	S207-E209 PolarHBondContact OG-N 3.49Å; E209-L211 PolarHBondContact O-N 3.41Å
210	G	84.8	Confident	89.6	Confident	57 Å²	57	57.2 Å²	57.2	59%	0.588	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.4	-2.3	-179.6	0	0	0	0	0	115.5	V208	V208-G210 PolarHBondContact O-N 3.09Å
211	L	89.6	Confident	89.2	Confident	36 Å²	36	59.8 Å²	59.8	19%	0.188	35%	0.346	C	S	.	.			trans	-78.8	152.9	173.9	-57.2	-172.7	0	0	0	111.3	I177 V208 E209 Q215 V216 I219	I177-L211 WeakPolarHBondContact CD1-O 3.42Å; V208-L211 HydrophobicContact CB-CD1 4.42Å; V208-L211 PolarHBondContact O-N 3.18Å; E209-L211 PolarHBondContact O-N 3.41Å; L211-Q215 HydrophobicContact CB-CB 4.41Å; L211-V216 HydrophobicContact CB-CG2 4.03Å; L211-V216 HydrophobicContact CD1-CG2 4.26Å; L211-I219 HydrophobicContact CD1-CD1 3.86Å
212	D	90.8	Very high	88.9	Confident	68 Å²	68	64.6 Å²	64.6	36%	0.364	37%	0.368	S	S	.	.			trans	-83.4	152.3	168	-62.4	-53.9	0	0	0	111	E214 Q215 V216	D212-E214 WeakPolarHBondContact CB-OE2 3.4Å; D212-E214 PolarHBondContact O-N 3.01Å; D212-E214 VanDerWaalsContact O-N 3.14Å; D212-Q215 HydrophobicContact CB-CG 4.25Å; D212-Q215 WeakPolarHBondContact O-CB 3.43Å; D212-Q215 PolarHBondContact O-N 3.39Å; D212-Q215 PolarHBondContact OD2-NE2 2.71Å; D212-V216 PolarHBondContact O-N 2.96Å
213	P	91	Very high	88.5	Confident	22 Å²	22	62.8 Å²	62.8	14%	0.143	36%	0.362	C	S	.	.	H	α-helix	trans	-50.7	-38.7	178.4	-28.6	36.5	0	0	0	114	I168 R170 I177 Q215 V216 I217	I168-P213 HydrophobicContact CD1-CB 4.18Å; I168-P213 HydrophobicContact CG1-CB 4.28Å; R170-P213 HydrophobicContact CB-CG 4Å; I177-P213 HydrophobicContact CD1-CG 4.12Å; P213-Q215 VanDerWaalsContact C-N 3.28Å; P213-Q215 PolarHBondContact O-N 3.38Å; P213-V216 PolarHBondContact O-N 3.33Å; P213-I217 WeakPolarHBondContact O-CD1 3.33Å; P213-I217 VanDerWaalsContact O-CG1 3.24Å; P213-I217 WeakPolarHBondContact O-CG1 3.46Å; P213-I217 PolarHBondContact O-N 3.34Å
214	E	90.8	Very high	88	Confident	135 Å²	135	74 Å²	74	63%	0.631	40%	0.404	S	S	*	.	H	α-helix	trans	-62.4	-36.6	179	-62.8	76.1	-165.4	0	0	112	D212 I217 H218	D212-E214 WeakPolarHBondContact CB-OE2 3.4Å; D212-E214 PolarHBondContact O-N 3.01Å; D212-E214 VanDerWaalsContact O-N 3.14Å; E214-I217 PolarHBondContact O-N 3.1Å; E214-H218 PolarHBondContact O-N 2.73Å
215	Q	91	Very high	87.8	Confident	87 Å²	87	72.9 Å²	72.9	41%	0.407	41%	0.407	S	S	.	.	H	α-helix	trans	-70.7	-41.6	179	-55.8	175.8	26.6	0	0	110.4	L211 D212 P213 I217 H218 I219	L211-Q215 HydrophobicContact CB-CB 4.41Å; D212-Q215 HydrophobicContact CB-CG 4.25Å; D212-Q215 WeakPolarHBondContact O-CB 3.43Å; D212-Q215 PolarHBondContact O-N 3.39Å; D212-Q215 PolarHBondContact OD2-NE2 2.71Å; P213-Q215 VanDerWaalsContact C-N 3.28Å; P213-Q215 PolarHBondContact O-N 3.38Å; Q215-I217 VanDerWaalsContact C-N 3.34Å; Q215-I217 PolarHBondContact O-N 2.96Å; Q215-H218 WeakPolarHBondContact O-CB 3.42Å; Q215-H218 PolarHBondContact O-N 3.13Å; Q215-I219 WeakPolarHBondContact O-CG1 3.24Å; Q215-I219 PolarHBondContact O-N 3.14Å
216	V	90.4	Very high	88	Confident	0 Å²	0	73.7 Å²	73.7	0%	0	40%	0.399	C	S	.	.	H	α-helix	trans	-63.3	-41.4	174.4	-177.8	0	0	0	0	110.9	I168 I177 V203 V208 L211 D212 P213 H218 I219 L220	I168-V216 HydrophobicContact CD1-CB 3.85Å; I168-V216 HydrophobicContact CD1-CG1 3.84Å; I177-V216 HydrophobicContact CG1-CG2 4.32Å; V203-V216 HydrophobicContact CG2-CG1 4.36Å; V208-V216 HydrophobicContact CB-CG2 4.04Å; V208-V216 HydrophobicContact CG1-CG1 4.19Å; V208-V216 HydrophobicContact CG1-CG2 3.99Å; L211-V216 HydrophobicContact CB-CG2 4.03Å; L211-V216 HydrophobicContact CD1-CG2 4.26Å; D212-V216 PolarHBondContact O-N 2.96Å; P213-V216 PolarHBondContact O-N 3.33Å; V216-H218 VanDerWaalsContact C-N 3.29Å; V216-H218 PolarHBondContact O-N 2.98Å; V216-I219 PolarHBondContact O-N 3.34Å; V216-L220 HydrophobicContact CG1-CD1 4.25Å; V216-L220 WeakPolarHBondContact O-CG 3.13Å; V216-L220 PolarHBondContact O-N 2.89Å
217	I	89	Confident	88	Confident	95 Å²	95	70.2 Å²	70.2	49%	0.487	38%	0.378	S	S	.	.	H	α-helix	trans	-60.9	-39.7	174.6	-68.6	163.1	0	0	0	110.7	I168 P213 E214 Q215 L220 A221	I168-I217 HydrophobicContact CD1-CG1 4.26Å; P213-I217 WeakPolarHBondContact O-CD1 3.33Å; P213-I217 VanDerWaalsContact O-CG1 3.24Å; P213-I217 WeakPolarHBondContact O-CG1 3.46Å; P213-I217 PolarHBondContact O-N 3.34Å; E214-I217 PolarHBondContact O-N 3.1Å; Q215-I217 VanDerWaalsContact C-N 3.34Å; Q215-I217 PolarHBondContact O-N 2.96Å; I217-L220 PolarHBondContact O-N 3.37Å; I217-A221 VanDerWaalsContact O-CB 3.31Å; I217-A221 WeakPolarHBondContact O-CB 3.37Å; I217-A221 PolarHBondContact O-N 3.01Å
218	H	88	Confident	88	Confident	122 Å²	122	72 Å²	72	57%	0.565	38%	0.381	S	S	*	.	H	α-helix	trans	-62.9	-44.7	176.4	-167.2	65.5	0	0	0	112.3	E214 Q215 V216 L220 A221 M222	E214-H218 PolarHBondContact O-N 2.73Å; Q215-H218 WeakPolarHBondContact O-CB 3.42Å; Q215-H218 PolarHBondContact O-N 3.13Å; V216-H218 VanDerWaalsContact C-N 3.29Å; V216-H218 PolarHBondContact O-N 2.98Å; H218-L220 VanDerWaalsContact C-N 3.34Å; H218-L220 PolarHBondContact O-N 3.26Å; H218-A221 PolarHBondContact O-N 3.44Å; H218-M222 PolarHBondContact NE2-SD 3.18Å; H218-M222 VanDerWaalsContact NE2-SD 3.39Å; H218-M222 WeakPolarHBondContact O-CG 3.17Å; H218-M222 PolarHBondContact O-N 3.01Å
219	I	88.5	Confident	88.1	Confident	39 Å²	39	72.4 Å²	72.4	20%	0.2	38%	0.383	C	S	.	.	H	α-helix	trans	-59	-46.3	174.8	-64.9	166	0	0	0	110.6	V203 V206 L211 Q215 V216 A221 M222 S223	V203-I219 HydrophobicContact CG1-CG2 4.18Å; V206-I219 HydrophobicContact CG1-CD1 4.17Å; L211-I219 HydrophobicContact CD1-CD1 3.86Å; Q215-I219 WeakPolarHBondContact O-CG1 3.24Å; Q215-I219 PolarHBondContact O-N 3.14Å; V216-I219 PolarHBondContact O-N 3.34Å; I219-A221 VanDerWaalsContact C-N 3.34Å; I219-A221 PolarHBondContact O-N 3.3Å; I219-M222 PolarHBondContact O-N 3.49Å; I219-S223 PolarHBondContact O-N 3.13Å; I219-S223 VanDerWaalsContact O-N 3.14Å; I219-S223 PolarHBondContact O-OG 2.86Å
220	L	87.6	Confident	88.2	Confident	28 Å²	28	67.9 Å²	67.9	15%	0.147	36%	0.361	C	S	.	.	H	α-helix	trans	-63.3	-39.5	177.1	-71.5	171.5	0	0	0	111.7	K159 L164 V203 V216 I217 H218 S223 I227 F229	K159-L220 PolarHBondContact NZ-O 3.23Å; L164-L220 HydrophobicContact CD1-CD2 4.32Å; V203-L220 HydrophobicContact CG1-CD2 3.56Å; V203-L220 HydrophobicContact CG1-CG 4.27Å; V216-L220 HydrophobicContact CG1-CD1 4.25Å; V216-L220 WeakPolarHBondContact O-CG 3.13Å; V216-L220 PolarHBondContact O-N 2.89Å; I217-L220 PolarHBondContact O-N 3.37Å; H218-L220 VanDerWaalsContact C-N 3.34Å; H218-L220 PolarHBondContact O-N 3.26Å; L220-S223 PolarHBondContact O-N 3.13Å; L220-I227 HydrophobicContact CD2-CD1 3.9Å; L220-I227 HydrophobicContact CD2-CG2 3.89Å; L220-F229 HydrophobicContact CD2-CE1 3.74Å; L220-F229 HydrophobicContact CD2-CZ 3.66Å
221	A	85.4	Confident	88.6	Confident	63 Å²	63	65.2 Å²	65.2	52%	0.521	33%	0.333	S	S	.	.	H	α-helix	trans	-64.4	-42.5	179.2	0	0	0	0	0	112.2	K159 I217 H218 I219 S223	K159-A221 PolarHBondContact NZ-O 3.45Å; I217-A221 VanDerWaalsContact O-CB 3.31Å; I217-A221 WeakPolarHBondContact O-CB 3.37Å; I217-A221 PolarHBondContact O-N 3.01Å; H218-A221 PolarHBondContact O-N 3.44Å; I219-A221 VanDerWaalsContact C-N 3.34Å; I219-A221 PolarHBondContact O-N 3.3Å; A221-S223 VanDerWaalsContact C-N 3.3Å; A221-S223 PolarHBondContact O-N 3.39Å
222	M	84.6	Confident	88.7	Confident	133 Å²	133	64.4 Å²	64.4	66%	0.655	33%	0.33	S	S	*	.	H	α-helix	trans	-70.8	-25	178.1	-67.2	178.8	75.4	0	0	113.3	H218 I219	H218-M222 PolarHBondContact NE2-SD 3.18Å; H218-M222 VanDerWaalsContact NE2-SD 3.39Å; H218-M222 WeakPolarHBondContact O-CG 3.17Å; H218-M222 PolarHBondContact O-N 3.01Å; I219-M222 PolarHBondContact O-N 3.49Å
223	S	83.9	Confident	88.6	Confident	19 Å²	19	63.4 Å²	63.4	13%	0.133	33%	0.327	C	S	.	.			trans	-70.3	136.2	179.6	-61.9	0	0	0	0	111.9	K159 N204 I219 L220 A221	K159-S223 WeakPolarHBondContact CD-O 3.36Å; K159-S223 PolarHBondContact NZ-O 2.97Å; K159-S223 VanDerWaalsContact NZ-O 3.14Å; N204-S223 WeakPolarHBondContact ND2-CB 3.49Å; N204-S223 PolarHBondContact ND2-OG 3.12Å; I219-S223 PolarHBondContact O-N 3.13Å; I219-S223 VanDerWaalsContact O-N 3.14Å; I219-S223 PolarHBondContact O-OG 2.86Å; L220-S223 PolarHBondContact O-N 3.13Å; A221-S223 VanDerWaalsContact C-N 3.3Å; A221-S223 PolarHBondContact O-N 3.39Å
224	R	81	Confident	88.3	Confident	237 Å²	237	64.7 Å²	64.7	89%	0.894	33%	0.334	S	S	*	.			trans	-124	142.3	178	-65	-177.2	177.9	179.1	-0.3	110.3
225	G	85.3	Confident	87.5	Confident	37 Å²	37	63.7 Å²	63.7	38%	0.381	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	80.6	-134.2	179.6	0	0	0	0	0	112.5	K159	K159-G225 VanDerWaalsContact CB-O 3.25Å; K159-G225 WeakPolarHBondContact CB-O 3.34Å; K159-G225 PolarHBondContact N-O 3.28Å
226	T	87.3	Confident	86.4	Confident	80 Å²	80	66.3 Å²	66.3	49%	0.491	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	124.6	-178.9	-51.7	0	0	0	0	110.8	C156 L157	C156-T226 HydrophobicContact CB-CG2 4.07Å; L157-T226 CarbonylContact O-C 3.55Å; L157-T226 WeakPolarHBondContact O-CA 3.19Å
227	I	89.7	Confident	85.2	Confident	0 Å²	0	69.2 Å²	69.2	0%	0	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	128	169.1	-60.5	176.7	0	0	0	108.2	C156 L157 K159 L164 V203 N204 L220 F229	C156-I227 CarbonylContact C-O 3.59Å; C156-I227 WeakPolarHBondContact CA-O 3.42Å; L157-I227 PolarHBondContact N-O 3.07Å; L157-I227 PolarHBondContact O-N 3.05Å; K159-I227 HydrophobicContact CB-CD1 3.93Å; K159-I227 HydrophobicContact CB-CG1 4.24Å; K159-I227 HydrophobicContact CD-CD1 3.68Å; K159-I227 HydrophobicContact CG-CD1 4.15Å; L164-I227 HydrophobicContact CD1-CD1 4.07Å; V203-I227 HydrophobicContact CG1-CG2 4.06Å; N204-I227 WeakPolarHBondContact OD1-CA 2.94Å; L220-I227 HydrophobicContact CD2-CD1 3.9Å; L220-I227 HydrophobicContact CD2-CG2 3.89Å; I227-F229 HydrophobicContact CB-CE2 4.02Å; I227-F229 HydrophobicContact CB-CZ 4.38Å; I227-F229 HydrophobicContact CG2-CD2 4.02Å; I227-F229 HydrophobicContact CG2-CE1 4.07Å; I227-F229 HydrophobicContact CG2-CE2 3.42Å; I227-F229 VanDerWaalsContact CG2-CE2 3.42Å; I227-F229 HydrophobicContact CG2-CZ 3.47Å; I227-F229 VanDerWaalsContact CG2-CZ 3.47Å
228	M	89.8	Confident	84.1	Confident	97 Å²	97	69 Å²	69	48%	0.478	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	128.7	172.9	-59	-152.9	-57.7	0	0	110.3	V155 C156 V203 N204	V155-M228 CarbonylContact O-C 3.6Å; V155-M228 WeakPolarHBondContact O-CA 3.04Å; C156-M228 VanDerWaalsContact SG-SD 3.68Å; V203-M228 WeakPolarHBondContact CA-O 3.27Å; N204-M228 PolarHBondContact N-O 2.7Å; N204-M228 PolarHBondContact OD1-N 3.21Å
229	F	92.8	Very high	82.7	Confident	9 Å²	9	69.6 Å²	69.6	4%	0.039	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	135.8	174.5	-61.8	-85.1	0	0	0	109.1	I154 V155 L157 L164 L200 E202 V203 L220 I227 V231	I154-F229 CarbonylContact C-O 3.56Å; I154-F229 WeakPolarHBondContact CA-O 3.45Å; V155-F229 HydrophobicContact CB-CB 4.25Å; V155-F229 PolarHBondContact N-O 2.84Å; V155-F229 PolarHBondContact O-N 2.88Å; L157-F229 HydrophobicContact CB-CE2 4.33Å; L157-F229 HydrophobicContact CD1-CD2 4.42Å; L157-F229 HydrophobicContact CD1-CE2 3.88Å; L157-F229 HydrophobicContact CG-CD2 4.44Å; L157-F229 HydrophobicContact CG-CE2 4.18Å; L164-F229 HydrophobicContact CD1-CE2 4.19Å; L164-F229 HydrophobicContact CD1-CZ 3.72Å; L200-F229 HydrophobicContact CD2-CB 4.32Å; L200-F229 HydrophobicContact CD2-CD1 3.48Å; L200-F229 VanDerWaalsContact CD2-CD1 3.48Å; L200-F229 HydrophobicContact CD2-CE1 4.13Å; L200-F229 HydrophobicContact CD2-CG 4.24Å; E202-F229 WeakPolarHBondContact O-CA 3.45Å; V203-F229 HydrophobicContact CG1-CE1 4.31Å; V203-F229 HydrophobicContact CG2-CD1 3.84Å; V203-F229 HydrophobicContact CG2-CE1 3.93Å; L220-F229 HydrophobicContact CD2-CE1 3.74Å; L220-F229 HydrophobicContact CD2-CZ 3.66Å; I227-F229 HydrophobicContact CB-CE2 4.02Å; I227-F229 HydrophobicContact CB-CZ 4.38Å; I227-F229 HydrophobicContact CG2-CD2 4.02Å; I227-F229 HydrophobicContact CG2-CE1 4.07Å; I227-F229 HydrophobicContact CG2-CE2 3.42Å; I227-F229 VanDerWaalsContact CG2-CE2 3.42Å; I227-F229 HydrophobicContact CG2-CZ 3.47Å; I227-F229 VanDerWaalsContact CG2-CZ 3.47Å; F229-V231 HydrophobicContact CB-CG1 4Å
230	K	91.8	Very high	81.3	Confident	62 Å²	62	71.1 Å²	71.1	27%	0.27	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	116.7	163.8	-170.1	172.6	164.9	-173.1	0	107.1	M152 V201 E202	M152-K230 HydrophobicContact CB-CG 4.28Å; M152-K230 HydrophobicContact SD-CD 4.18Å; M152-K230 WeakPolarHBondContact SD-CE 3.31Å; M152-K230 HydrophobicContact SD-CG 4.14Å; V201-K230 WeakPolarHBondContact CB-O 3.33Å; V201-K230 PolarHBondContact N-O 3.23Å; E202-K230 HydrophobicContact CB-CB 3.86Å; E202-K230 HydrophobicContact CB-CD 4.46Å; E202-K230 HydrophobicContact CG-CB 4.42Å; E202-K230 HydrophobicContact CG-CD 4.2Å; E202-K230 PolarHBondContact N-O 3.43Å; E202-K230 PolarHBondContact O-N 3.05Å; E202-K230 WeakPolarHBondContact OE1-CD 3.34Å; E202-K230 IonicContact OE1-NZ 2.98Å; E202-K230 PolarHBondContact OE1-NZ 3.09Å
231	V	93.1	Very high	79.8	Confident	0 Å²	0	75.1 Å²	75.1	0%	0	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	143.7	-173.7	-59	0	0	0	0	111.5	M152 R153 V155 L194 D198 K199 L200 F229	M152-V231 CarbonylContact C-O 3.49Å; M152-V231 WeakPolarHBondContact CA-O 3.23Å; R153-V231 HydrophobicContact CB-CG2 4.04Å; R153-V231 PolarHBondContact N-O 2.89Å; R153-V231 WeakPolarHBondContact O-CG2 3.34Å; R153-V231 PolarHBondContact O-N 2.86Å; V155-V231 HydrophobicContact CG2-CG2 3.93Å; L194-V231 HydrophobicContact CD2-CG1 4.09Å; D198-V231 HydrophobicContact CB-CB 4.48Å; K199-V231 CarbonylContact O-C 3.58Å; K199-V231 WeakPolarHBondContact O-CA 3.37Å; K199-V231 WeakPolarHBondContact O-CB 3.38Å; L200-V231 HydrophobicContact CD2-CG1 3.67Å; L200-V231 HydrophobicContact CG-CG1 4.44Å; F229-V231 HydrophobicContact CB-CG1 4Å
232	V	91.1	Very high	78.7	Confident	19 Å²	19	76 Å²	76	12%	0.115	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	116.2	160.6	-178	0	0	0	0	106.6	E150 M152 K199 V201	E150-V232 HydrophobicContact CB-CG1 3.82Å; E150-V232 HydrophobicContact CB-CG2 4.13Å; E150-V232 WeakPolarHBondContact OE2-CG1 3.49Å; M152-V232 HydrophobicContact CG-CG2 4.2Å; K199-V232 HydrophobicContact CB-CB 4.18Å; K199-V232 PolarHBondContact N-O 2.98Å; K199-V232 PolarHBondContact O-N 3.28Å; V201-V232 HydrophobicContact CG2-CG2 3.94Å
233	P	88.4	Confident	78	Confident	47 Å²	47	78.1 Å²	78.1	31%	0.305	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-70.1	146.7	-176.5	30.4	-33.2	0	0	0	110.8	A151 D198	A151-P233 WeakPolarHBondContact O-CD 3.45Å; D198-P233 WeakPolarHBondContact OD1-CA 3.28Å
234	V	85.9	Confident	77.9	Confident	50 Å²	50	83.2 Å²	83.2	30%	0.303	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-67.3	139.1	169.4	67.4	0	0	0	0	110.9	D198 D236 P237	D198-V234 PolarHBondContact OD1-N 3.21Å; V234-D236 PolarHBondContact O-N 3.37Å; V234-P237 HydrophobicContact CG1-CB 4.39Å
235	S	73.1	Confident	78.4	Confident	114 Å²	114	73.5 Å²	73.5	80%	0.797	43%	0.425	S	S	*	.	S	Bend	trans	-62.2	-38.5	-174.9	-50.6	0	0	0	0	113.7
236	D	68.8	Low	78.9	Confident	142 Å²	142	75.5 Å²	75.5	76%	0.759	42%	0.422	S	S	*	.	S	Bend	trans	-126.7	92.8	-179.6	-69.2	-44.1	0	0	0	109.9	V234	V234-D236 PolarHBondContact O-N 3.37Å
237	P	65	Low	79.2	Confident	60 Å²	60	72.1 Å²	72.1	39%	0.39	40%	0.401	S	S	.	.			trans	-67.2	135	175.8	26	-31.9	0	0	0	110	Y195 V234 V239	Y195-P237 HydrophobicContact CD1-CB 3.66Å; Y195-P237 HydrophobicContact CE1-CB 3.96Å; Y195-P237 HydrophobicContact CG-CB 3.97Å; V234-P237 HydrophobicContact CG1-CB 4.39Å; P237-V239 PolarHBondContact O-N 3.29Å
238	P	64.1	Low	79.5	Confident	91 Å²	91	72.7 Å²	72.7	59%	0.591	40%	0.403	S	S	*	.			trans	-64.8	126.3	179.6	24.4	-32	0	0	0	110.8	N240	P238-N240 PolarHBondContact O-N 2.96Å
239	V	59.3	Low	79.8	Confident	134 Å²	134	68 Å²	68	81%	0.812	38%	0.38	S	S	*	.			trans	-81.1	107.5	172.3	-178.6	0	0	0	0	108.2	P237 S241	P237-V239 PolarHBondContact O-N 3.29Å; V239-S241 PolarHBondContact O-N 3.22Å
240	N	60.2	Low	79.7	Confident	72 Å²	72	68.5 Å²	68.5	39%	0.385	38%	0.383	S	S	.	.			trans	-81.1	106	178.7	-163.9	14.5	0	0	0	110.2	H184 P238 N282	H184-N240 PolarHBondContact NE2-ND2 2.77Å; H184-N240 VanDerWaalsContact NE2-ND2 3.11Å; P238-N240 PolarHBondContact O-N 2.96Å; N240-N282 PolarHBondContact OD1-ND2 2.77Å
241	S	55.2	Low	79.6	Confident	111 Å²	111	67 Å²	67	78%	0.776	38%	0.378	S	S	*	.			trans	-115.9	30.1	-179.9	69	0	0	0	0	113	V239	V239-S241 PolarHBondContact O-N 3.22Å
242	Q	62.8	Low	79.5	Confident	81 Å²	81	71.6 Å²	71.6	38%	0.379	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-87.2	143	-174.3	-69.3	-169	-21.9	0	0	113.5	N282	Q242-N282 PolarHBondContact NE2-OD1 3.25Å; Q242-N282 VanDerWaalsContact NE2-OD1 3.16Å
243	Q	69.1	Low	79.7	Confident	178 Å²	178	71.3 Å²	71.3	83%	0.832	40%	0.397	S	S	*	.	P	Polyproline II helix	trans	-75.7	137.3	170.8	-88.1	177.7	-28.2	0	0	110.6
244	M	82.2	Confident	80	Confident	127 Å²	127	73 Å²	73	63%	0.626	40%	0.397	S	S	*	.	P	Polyproline II helix	trans	-67.6	133.1	172.6	-61.6	176.7	-173.5	0	0	110
245	V	91.8	Very high	80.4	Confident	32 Å²	32	70.7 Å²	70.7	19%	0.194	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	141	179.3	-178.2	0	0	0	0	109.5	V247 I278 E384	V245-V247 HydrophobicContact CG1-CG1 4.12Å; V245-I278 PolarHBondContact N-O 3.21Å; V245-I278 PolarHBondContact O-N 2.86Å; V245-E384 HydrophobicContact CG1-CG 3.75Å
246	Y	95.1	Very high	81.4	Confident	80 Å²	80	71.2 Å²	71.2	31%	0.314	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	132.9	173.7	-62.6	-82.6	0	0	0	110.1	L276 Q277 I292 V385 W593	Y246-L276 WeakPolarHBondContact CA-O 3.22Å; Y246-Q277 HydrophobicContact CD1-CB 3.85Å; Y246-Q277 HydrophobicContact CD1-CG 4.03Å; Y246-Q277 HydrophobicContact CE1-CB 3.67Å; Y246-Q277 HydrophobicContact CE1-CG 3.54Å; Y246-Q277 PolarHBondContact OH-NE2 2.9Å; Y246-I292 HydrophobicContact CD1-CD1 3.55Å; Y246-I292 HydrophobicContact CD1-CG1 4.3Å; Y246-I292 HydrophobicContact CE1-CD1 3.79Å; Y246-I292 HydrophobicContact CE1-CG1 4.32Å; Y246-V385 WeakPolarHBondContact CB-O 3.2Å; Y246-V385 PolarHBondContact O-N 3.15Å; Y246-W593 AromaticContact CD1-CH2 3.67Å; Y246-W593 HydrophobicContact CD1-CH2 3.67Å; Y246-W593 HydrophobicContact CD1-CZ3 4.13Å; Y246-W593 HydrophobicContact CD2-CH2 4.05Å; Y246-W593 HydrophobicContact CD2-CZ3 4.05Å; Y246-W593 HydrophobicContact CE1-CH2 4.01Å; Y246-W593 HydrophobicContact CE2-CH2 4.4Å; Y246-W593 AromaticContact CG-CH2 3.65Å; Y246-W593 HydrophobicContact CG-CH2 3.65Å; Y246-W593 AromaticContact CG-CZ3 3.68Å; Y246-W593 HydrophobicContact CG-CZ3 3.68Å
247	V	95.1	Very high	82.5	Confident	8 Å²	8	72 Å²	72	5%	0.048	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	145	179.7	-56.6	0	0	0	0	110.9	V245 I275 L276 I278 Y382 E383	V245-V247 HydrophobicContact CG1-CG1 4.12Å; V247-I275 CarbonylContact O-C 3.54Å; V247-I275 WeakPolarHBondContact O-CA 3.35Å; V247-L276 HydrophobicContact CG2-CB 3.92Å; V247-L276 PolarHBondContact N-O 2.83Å; V247-L276 PolarHBondContact O-N 3.49Å; V247-I278 HydrophobicContact CG1-CG1 4.08Å; V247-I278 HydrophobicContact CG2-CD1 3.75Å; V247-I278 HydrophobicContact CG2-CG1 3.82Å; V247-Y382 HydrophobicContact CB-CD1 4.44Å; V247-Y382 HydrophobicContact CG2-CD1 3.76Å; V247-Y382 HydrophobicContact CG2-CE1 4.45Å; V247-Y382 HydrophobicContact CG2-CG 4.18Å; V247-E383 CarbonylContact C-O 3.54Å; V247-E383 VanDerWaalsContact CA-O 3.26Å; V247-E383 WeakPolarHBondContact CA-O 3.21Å
248	R	95.4	Very high	83.8	Confident	12 Å²	12	69.7 Å²	69.7	5%	0.045	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	129	165.5	177.6	-175	-73.4	133.1	-3.2	108.7	M250 D274 I275 Y382 E383 V385 Q562 W593	R248-M250 HydrophobicContact CG-SD 4.05Å; R248-M250 PolarHBondContact O-N 2.73Å; R248-D274 WeakPolarHBondContact CA-O 3.32Å; R248-I275 HydrophobicContact CB-CD1 3.74Å; R248-I275 HydrophobicContact CG-CD1 3.96Å; R248-Y382 WeakPolarHBondContact O-CA 3.08Å; R248-E383 HydrophobicContact CB-CB 4.43Å; R248-E383 IonicContact CZ-OE2 3.54Å; R248-E383 PolarHBondContact N-O 3.42Å; R248-E383 IonicContact NH1-OE2 3.82Å; R248-E383 PolarHBondContact NH1-OE2 3.19Å; R248-E383 PolarHBondContact O-N 3.28Å; R248-V385 HydrophobicContact CB-CG1 3.78Å; R248-Q562 WeakPolarHBondContact CD-O 3.14Å; R248-W593 PolarHBondContact NH2-O 2.78Å
249	A	94.9	Very high	85.1	Confident	0 Å²	0	71.1 Å²	71.1	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	120.1	173.5	0	0	0	0	0	110.2	F270 Q271 G273 D274	A249-F270 HydrophobicContact CB-CD2 3.51Å; A249-F270 HydrophobicContact CB-CE2 3.83Å; A249-F270 HydrophobicContact CB-CG 4.44Å; A249-Q271 WeakPolarHBondContact CB-O 3.3Å; A249-G273 PolarHBondContact O-N 2.88Å; A249-D274 HydrophobicContact CB-CB 4.45Å; A249-D274 PolarHBondContact N-O 3.4Å
250	M	91.6	Very high	86.6	Confident	19 Å²	19	69.4 Å²	69.4	9%	0.094	35%	0.352	C	S	.	.	S	Bend	trans	-94.2	-7.4	176.9	-54.1	-54.6	-75.3	0	0	111.9	R248 A380 P381 E383 Q562 F563	R248-M250 HydrophobicContact CG-SD 4.05Å; R248-M250 PolarHBondContact O-N 2.73Å; M250-A380 WeakPolarHBondContact CB-O 3.39Å; M250-A380 WeakPolarHBondContact CG-O 3.47Å; M250-P381 WeakPolarHBondContact CB-O 3.42Å; M250-P381 PolarHBondContact N-O 2.92Å; M250-E383 HydrophobicContact CG-CB 3.92Å; M250-E383 HydrophobicContact SD-CB 3.74Å; M250-Q562 HydrophobicContact CE-CB 4.41Å; M250-Q562 HydrophobicContact CE-CG 3.65Å; M250-Q562 HydrophobicContact SD-CB 4.33Å; M250-Q562 HydrophobicContact SD-CG 4.18Å; M250-F563 HydrophobicContact CE-CD1 4.19Å; M250-F563 HydrophobicContact CE-CE1 3.4Å; M250-F563 HydrophobicContact CE-CZ 3.76Å
251	T	90	Very high	88.2	Confident	29 Å²	29	67 Å²	67	18%	0.178	34%	0.339	C	S	.	.	S	Bend	trans	-132.4	171.8	177	-163.4	0	0	0	0	109.8	F270 L308 P381	T251-F270 HydrophobicContact CG2-CE2 4.36Å; T251-F270 WeakPolarHBondContact O-CE2 3.29Å; T251-L308 HydrophobicContact CG2-CD1 4.12Å; T251-P381 HydrophobicContact CG2-CB 3.88Å
252	E	91.5	Very high	89.9	Confident	97 Å²	97	65.6 Å²	65.6	45%	0.453	33%	0.327	S	S	.	.			trans	-105	154.3	173.7	65.7	-157	131.3	0	0	110	F270 K272	E252-F270 WeakPolarHBondContact CA-O 2.91Å; E252-K272 HydrophobicContact CB-CG 4.37Å
253	Y	93.8	Very high	91.2	Very high	13 Å²	13	63.5 Å²	63.5	5%	0.051	32%	0.321	C	S	.	.	B	Isolated β-bridge	trans	-146.2	128.3	-179.8	177.1	-113.5	0	0	0	111.2	P255 D258 P269 F270 W286 P303	Y253-P255 HydrophobicContact CD1-CG 4.25Å; Y253-P255 HydrophobicContact CE1-CB 4.27Å; Y253-P255 HydrophobicContact CE1-CG 3.69Å; Y253-D258 HydrophobicContact CE2-CB 3.86Å; Y253-D258 VanDerWaalsContact CE2-OD2 3.31Å; Y253-D258 WeakPolarHBondContact CE2-OD2 3.45Å; Y253-D258 PolarHBondContact OH-OD2 2.72Å; Y253-P269 WeakPolarHBondContact O-CA 3.22Å; Y253-F270 HydrophobicContact CD1-CD1 4.11Å; Y253-F270 AromaticContact CD1-CE1 3.66Å; Y253-F270 HydrophobicContact CD1-CE1 3.66Å; Y253-F270 HydrophobicContact CD1-CZ 4.33Å; Y253-F270 HydrophobicContact CG-CD1 4.46Å; Y253-F270 AromaticContact CG-CE1 3.82Å; Y253-F270 HydrophobicContact CG-CE1 3.82Å; Y253-F270 HydrophobicContact CG-CZ 4.01Å; Y253-F270 PolarHBondContact N-O 3.13Å; Y253-F270 PolarHBondContact O-N 2.82Å; Y253-W286 VanDerWaalsContact OH-CH2 3.26Å; Y253-W286 WeakPolarHBondContact OH-CH2 3.46Å; Y253-W286 VanDerWaalsContact OH-CZ3 3.25Å; Y253-W286 WeakPolarHBondContact OH-CZ3 3.38Å; Y253-P303 HydrophobicContact CD1-CG 4.14Å; Y253-P303 HydrophobicContact CD2-CG 3.67Å; Y253-P303 HydrophobicContact CE1-CG 3.88Å; Y253-P303 HydrophobicContact CE2-CG 3.39Å; Y253-P303 HydrophobicContact CG-CG 4.04Å
254	W	94.6	Very high	92.3	Very high	83 Å²	83	59.8 Å²	59.8	31%	0.314	31%	0.305	S	S	.	.			trans	-120.6	107.9	176.6	-59.7	118.1	0	0	0	109.2	Q256 E257 P269 Q271	W254-Q256 PolarHBondContact O-N 3.38Å; W254-Q256 VanDerWaalsContact O-N 3.11Å; W254-E257 HydrophobicContact CB-CB 4.3Å; W254-E257 HydrophobicContact CB-CG 3.99Å; W254-E257 PolarHBondContact O-N 2.82Å; W254-P269 HydrophobicContact CE3-CB 3.53Å; W254-P269 HydrophobicContact CZ3-CB 3.56Å; W254-Q271 HydrophobicContact CH2-CG 3.93Å; W254-Q271 HydrophobicContact CZ2-CG 3.95Å
255	P	94.9	Very high	92.6	Very high	1 Å²	1	61 Å²	61	1%	0.006	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-54.2	-30.4	179	-26.5	32.8	0	0	0	113.9	Y253 E257 D258 I261 P269	Y253-P255 HydrophobicContact CD1-CG 4.25Å; Y253-P255 HydrophobicContact CE1-CB 4.27Å; Y253-P255 HydrophobicContact CE1-CG 3.69Å; P255-E257 PolarHBondContact O-N 2.85Å; P255-D258 PolarHBondContact O-N 2.84Å; P255-I261 HydrophobicContact CB-CD1 3.88Å; P255-P269 HydrophobicContact CG-CB 4.33Å
256	Q	94	Very high	92.7	Very high	126 Å²	126	60.5 Å²	60.5	59%	0.589	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-69.8	-22.7	-179.6	-58.6	80.2	11.6	0	0	112.9	W254 M264	W254-Q256 PolarHBondContact O-N 3.38Å; W254-Q256 VanDerWaalsContact O-N 3.11Å; Q256-M264 HydrophobicContact CG-SD 4.37Å
257	E	92.6	Very high	92.6	Very high	157 Å²	157	57.4 Å²	57.4	73%	0.734	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-94.7	-1.2	178.9	-59.9	-177.6	168.4	0	0	111.8	W254 P255 P259	W254-E257 HydrophobicContact CB-CB 4.3Å; W254-E257 HydrophobicContact CB-CG 3.99Å; W254-E257 PolarHBondContact O-N 2.82Å; P255-E257 PolarHBondContact O-N 2.85Å; E257-P259 WeakPolarHBondContact O-CD 3.2Å
258	D	91.8	Very high	92.6	Very high	13 Å²	13	58.4 Å²	58.4	7%	0.07	31%	0.311	C	S	.	.			trans	-106.2	102.9	-175.5	-166.1	-23.7	0	0	0	111.6	Y253 P255 D260 I261 W286 K311	Y253-D258 HydrophobicContact CE2-CB 3.86Å; Y253-D258 VanDerWaalsContact CE2-OD2 3.31Å; Y253-D258 WeakPolarHBondContact CE2-OD2 3.45Å; Y253-D258 PolarHBondContact OH-OD2 2.72Å; P255-D258 PolarHBondContact O-N 2.84Å; D258-D260 PolarHBondContact O-N 2.94Å; D258-D260 WeakPolarHBondContact OD1-CA 3.44Å; D258-D260 WeakPolarHBondContact OD1-CB 3.46Å; D258-D260 PolarHBondContact OD1-N 3.4Å; D258-I261 HydrophobicContact CB-CB 4.49Å; D258-I261 VanDerWaalsContact O-CG2 3.23Å; D258-I261 WeakPolarHBondContact O-CG2 3.33Å; D258-I261 PolarHBondContact O-N 2.78Å; D258-W286 WeakPolarHBondContact OD2-CH2 3.47Å; D258-K311 IonicContact OD1-NZ 2.67Å; D258-K311 PolarHBondContact OD1-NZ 3.27Å; D258-K311 IonicContact OD2-NZ 2.79Å; D258-K311 PolarHBondContact OD2-NZ 2.75Å
259	P	91.5	Very high	92.6	Very high	120 Å²	120	59.8 Å²	59.8	78%	0.779	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-15.5	178.2	30.7	-35.8	0	0	0	113.4	E257	E257-P259 WeakPolarHBondContact O-CD 3.2Å
260	D	91.6	Very high	92.6	Very high	99 Å²	99	59.8 Å²	59.8	53%	0.529	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-3.8	-177.9	-53.4	-48.8	0	0	0	112.5	D258 P262 W286 K311	D258-D260 PolarHBondContact O-N 2.94Å; D258-D260 WeakPolarHBondContact OD1-CA 3.44Å; D258-D260 WeakPolarHBondContact OD1-CB 3.46Å; D258-D260 PolarHBondContact OD1-N 3.4Å; D260-P262 WeakPolarHBondContact O-CD 3.23Å; D260-W286 HydrophobicContact CB-CZ2 4.41Å; D260-W286 WeakPolarHBondContact O-CZ2 3.27Å; D260-K311 WeakPolarHBondContact OD2-CE 3.43Å; D260-K311 IonicContact OD2-NZ 3.84Å; D260-K311 PolarHBondContact OD2-NZ 3.25Å
261	I	93.2	Very high	92.7	Very high	21 Å²	21	64 Å²	64	11%	0.108	34%	0.34	C	S	.	.			trans	-67.3	127.8	-179	-166.8	171.5	0	0	0	111	P255 D258 C263 M264 W286	P255-I261 HydrophobicContact CB-CD1 3.88Å; D258-I261 HydrophobicContact CB-CB 4.49Å; D258-I261 VanDerWaalsContact O-CG2 3.23Å; D258-I261 WeakPolarHBondContact O-CG2 3.33Å; D258-I261 PolarHBondContact O-N 2.78Å; I261-C263 WeakPolarHBondContact CD1-O 3.48Å; I261-C263 PolarHBondContact O-N 3.47Å; I261-M264 HydrophobicContact CG2-CB 4.02Å; I261-W286 VanDerWaalsContact CA-CZ2 3.45Å; I261-W286 HydrophobicContact CB-CH2 3.67Å; I261-W286 HydrophobicContact CB-CZ2 4.07Å; I261-W286 HydrophobicContact CB-CZ3 4.21Å; I261-W286 HydrophobicContact CD1-CH2 4.41Å; I261-W286 HydrophobicContact CD1-CZ3 4.1Å; I261-W286 HydrophobicContact CG1-CE3 4.31Å; I261-W286 HydrophobicContact CG1-CH2 3.76Å; I261-W286 HydrophobicContact CG1-CZ2 4.3Å; I261-W286 HydrophobicContact CG1-CZ3 3.77Å
262	P	91.4	Very high	92.7	Very high	81 Å²	81	65.8 Å²	65.8	53%	0.526	35%	0.345	S	S	.	.	S	Bend	trans	-62.5	-31.5	-178.3	-25.7	33.3	0	0	0	113.5	D260 W286	D260-P262 WeakPolarHBondContact O-CD 3.23Å; P262-W286 VanDerWaalsContact CD-NE1 3.34Å; P262-W286 HydrophobicContact CG-CD2 4.25Å; P262-W286 HydrophobicContact CG-CG 3.93Å
263	C	90.3	Very high	92.7	Very high	38 Å²	38	62.3 Å²	62.3	26%	0.257	34%	0.336	S	S	.	.			trans	-151.7	105	178.4	-179.7	0	0	0	0	108.6	T167 I261 D265 A266 G267	T167-C263 HydrophobicContact CG2-CB 4.13Å; I261-C263 WeakPolarHBondContact CD1-O 3.48Å; I261-C263 PolarHBondContact O-N 3.47Å; C263-D265 VanDerWaalsContact C-N 3.3Å; C263-D265 PolarHBondContact O-N 3.09Å; C263-A266 HydrophobicContact CB-CB 4.02Å; C263-A266 PolarHBondContact O-N 3.42Å; C263-A266 VanDerWaalsContact O-N 3.16Å; C263-G267 PolarHBondContact O-N 3.45Å
264	M	91.4	Very high	92.7	Very high	100 Å²	100	63.7 Å²	63.7	49%	0.493	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-58.5	-41.4	-178.8	-176.5	-174.5	59.5	0	0	112.1	Q256 I261 A266 G267	Q256-M264 HydrophobicContact CG-SD 4.37Å; I261-M264 HydrophobicContact CG2-CB 4.02Å; M264-A266 PolarHBondContact O-N 3.35Å; M264-G267 PolarHBondContact O-N 3.28Å
265	D	89.2	Confident	92.7	Very high	153 Å²	153	61.1 Å²	61.1	82%	0.818	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-65.4	-23.2	-179.7	-64.6	-26.2	0	0	0	113.3	C263	C263-D265 VanDerWaalsContact C-N 3.3Å; C263-D265 PolarHBondContact O-N 3.09Å
266	A	91.9	Very high	92.8	Very high	20 Å²	20	61 Å²	61	17%	0.165	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-90.5	-4.4	174.6	0	0	0	0	0	112.7	T167 C263 M264 G300 L301	T167-A266 HydrophobicContact CG2-CB 4.49Å; C263-A266 HydrophobicContact CB-CB 4.02Å; C263-A266 PolarHBondContact O-N 3.42Å; C263-A266 VanDerWaalsContact O-N 3.16Å; M264-A266 PolarHBondContact O-N 3.35Å; A266-G300 CarbonylContact O-C 3.58Å; A266-G300 WeakPolarHBondContact O-CA 3.42Å; A266-L301 HydrophobicContact CB-CD1 4.08Å; A266-L301 HydrophobicContact CB-CG 4.18Å; A266-L301 PolarHBondContact O-N 3.01Å
267	G	93.9	Very high	92.8	Very high	15 Å²	15	56.5 Å²	56.5	16%	0.155	32%	0.315	C	S	.	.	B	Isolated β-bridge	trans	-69	136.4	-178.1	0	0	0	0	0	112.9	C263 M264 P269	C263-G267 PolarHBondContact O-N 3.45Å; M264-G267 PolarHBondContact O-N 3.28Å; G267-P269 VanDerWaalsContact O-CD 3.31Å; G267-P269 WeakPolarHBondContact O-CD 3.49Å
268	L	94.9	Very high	92.9	Very high	30 Å²	30	49.1 Å²	49.1	16%	0.157	28%	0.28	C	S	.	.			trans	-99	105.9	174.4	-178	66.5	0	0	0	110.1	L276 A289 K291 L301 V302	L268-L276 HydrophobicContact CD2-CD2 4.36Å; L268-A289 HydrophobicContact CD2-CB 4.19Å; L268-A289 WeakPolarHBondContact CD2-O 3.2Å; L268-K291 HydrophobicContact CD1-CG 4.28Å; L268-K291 HydrophobicContact CD2-CG 4.3Å; L268-L301 PolarHBondContact N-O 3.14Å; L268-V302 HydrophobicContact CB-CG1 3.82Å; L268-V302 HydrophobicContact CD2-CG1 4Å; L268-V302 HydrophobicContact CG-CG1 4.29Å
269	P	95.6	Very high	92.9	Very high	40 Å²	40	49.2 Å²	49.2	26%	0.26	28%	0.281	S	S	.	.			trans	-70.4	140.5	174	27.3	-32.7	0	0	0	111.2	Y253 W254 P255 G267 K291	Y253-P269 WeakPolarHBondContact O-CA 3.22Å; W254-P269 HydrophobicContact CE3-CB 3.53Å; W254-P269 HydrophobicContact CZ3-CB 3.56Å; P255-P269 HydrophobicContact CG-CB 4.33Å; G267-P269 VanDerWaalsContact O-CD 3.31Å; G267-P269 WeakPolarHBondContact O-CD 3.49Å; P269-K291 WeakPolarHBondContact O-CE 3.23Å; P269-K291 PolarHBondContact O-NZ 3.48Å
270	F	94.9	Very high	92.8	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-144.5	152.2	176.1	61.4	-99	0	0	0	112.7	A249 T251 E252 Y253 D274 L276 V302 Y382	A249-F270 HydrophobicContact CB-CD2 3.51Å; A249-F270 HydrophobicContact CB-CE2 3.83Å; A249-F270 HydrophobicContact CB-CG 4.44Å; T251-F270 HydrophobicContact CG2-CE2 4.36Å; T251-F270 WeakPolarHBondContact O-CE2 3.29Å; E252-F270 WeakPolarHBondContact CA-O 2.91Å; Y253-F270 HydrophobicContact CD1-CD1 4.11Å; Y253-F270 AromaticContact CD1-CE1 3.66Å; Y253-F270 HydrophobicContact CD1-CE1 3.66Å; Y253-F270 HydrophobicContact CD1-CZ 4.33Å; Y253-F270 HydrophobicContact CG-CD1 4.46Å; Y253-F270 AromaticContact CG-CE1 3.82Å; Y253-F270 HydrophobicContact CG-CE1 3.82Å; Y253-F270 HydrophobicContact CG-CZ 4.01Å; Y253-F270 PolarHBondContact N-O 3.13Å; Y253-F270 PolarHBondContact O-N 2.82Å; F270-D274 WeakPolarHBondContact CA-OD2 3.4Å; F270-D274 HydrophobicContact CB-CB 4.27Å; F270-L276 HydrophobicContact CB-CD1 4.36Å; F270-L276 HydrophobicContact CB-CD2 4.13Å; F270-L276 HydrophobicContact CD1-CD1 3.84Å; F270-L276 HydrophobicContact CD2-CD1 4.41Å; F270-L276 HydrophobicContact CE1-CD1 4.21Å; F270-L276 HydrophobicContact CG-CD1 3.95Å; F270-V302 HydrophobicContact CD1-CG1 3.9Å; F270-V302 HydrophobicContact CE1-CB 3.97Å; F270-V302 HydrophobicContact CE1-CG1 3.81Å; F270-Y382 HydrophobicContact CE1-CE1 4.4Å; F270-Y382 WeakPolarHBondContact CE1-OH 3.39Å; F270-Y382 HydrophobicContact CE2-CE1 4.16Å; F270-Y382 AromaticContact CZ-CE1 3.83Å; F270-Y382 HydrophobicContact CZ-CE1 3.83Å; F270-Y382 AromaticContact CZ-CZ 3.86Å; F270-Y382 WeakPolarHBondContact CZ-OH 3.44Å
271	Q	92.9	Very high	92.8	Very high	107 Å²	107	42.6 Å²	42.6	50%	0.5	24%	0.237	S	C	.	.			trans	-105.7	163	177.3	-66.7	-177.1	-5.4	0	0	110.9	A249 W254 G273 D274	A249-Q271 WeakPolarHBondContact CB-O 3.3Å; W254-Q271 HydrophobicContact CH2-CG 3.93Å; W254-Q271 HydrophobicContact CZ2-CG 3.95Å; Q271-G273 PolarHBondContact O-N 3.47Å; Q271-D274 PolarHBondContact N-OD2 3.26Å; Q271-D274 VanDerWaalsContact O-CB 3.31Å; Q271-D274 WeakPolarHBondContact O-CB 3.37Å; Q271-D274 PolarHBondContact O-N 3.48Å; Q271-D274 VanDerWaalsContact O-N 3.09Å
272	K	90.8	Very high	92.5	Very high	67 Å²	67	46.1 Å²	46.1	29%	0.291	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	129	171.5	-67.9	-177.3	-165.7	175.4	0	110.4	E252 T558 Q562	E252-K272 HydrophobicContact CB-CG 4.37Å; K272-T558 PolarHBondContact NZ-O 2.91Å; K272-Q562 HydrophobicContact CB-CB 4.2Å
273	G	91.3	Very high	92.4	Very high	25 Å²	25	44.4 Å²	44.4	26%	0.258	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.3	-13.7	-178.1	0	0	0	0	0	114.8	A249 Q271 I275	A249-G273 PolarHBondContact O-N 2.88Å; Q271-G273 PolarHBondContact O-N 3.47Å; G273-I275 PolarHBondContact O-N 3.26Å
274	D	94.1	Very high	92.3	Very high	42 Å²	42	46 Å²	46	23%	0.225	26%	0.258	C	S	.	.			trans	-58.3	137.8	175.5	-81.3	-12.2	0	0	0	110.3	R248 A249 F270 Q271 L276 K291	R248-D274 WeakPolarHBondContact CA-O 3.32Å; A249-D274 HydrophobicContact CB-CB 4.45Å; A249-D274 PolarHBondContact N-O 3.4Å; F270-D274 WeakPolarHBondContact CA-OD2 3.4Å; F270-D274 HydrophobicContact CB-CB 4.27Å; Q271-D274 PolarHBondContact N-OD2 3.26Å; Q271-D274 VanDerWaalsContact O-CB 3.31Å; Q271-D274 WeakPolarHBondContact O-CB 3.37Å; Q271-D274 PolarHBondContact O-N 3.48Å; Q271-D274 VanDerWaalsContact O-N 3.09Å; D274-L276 HydrophobicContact CB-CD2 4.37Å; D274-K291 WeakPolarHBondContact OD2-CE 3.5Å; D274-K291 IonicContact OD2-NZ 2.9Å; D274-K291 PolarHBondContact OD2-NZ 3.01Å
275	I	95.4	Very high	92.4	Very high	28 Å²	28	45.2 Å²	45.2	14%	0.144	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	119.6	172.7	-46.8	-59.1	0	0	0	109.1	V247 R248 G273 I292 V385 W593	V247-I275 CarbonylContact O-C 3.54Å; V247-I275 WeakPolarHBondContact O-CA 3.35Å; R248-I275 HydrophobicContact CB-CD1 3.74Å; R248-I275 HydrophobicContact CG-CD1 3.96Å; G273-I275 PolarHBondContact O-N 3.26Å; I275-I292 HydrophobicContact CB-CD1 3.96Å; I275-I292 HydrophobicContact CB-CG1 4.42Å; I275-I292 HydrophobicContact CG2-CD1 3.36Å; I275-I292 HydrophobicContact CG2-CG1 4.19Å; I275-I292 PolarHBondContact O-N 3.02Å; I275-V385 HydrophobicContact CD1-CG2 4.41Å; I275-V385 HydrophobicContact CG2-CG2 3.96Å; I275-W593 HydrophobicContact CD1-CB 4.34Å; I275-W593 HydrophobicContact CD1-CG 4.38Å; I275-W593 HydrophobicContact CG1-CG 4.12Å; I275-W593 HydrophobicContact CG2-CD2 4.06Å; I275-W593 HydrophobicContact CG2-CE3 4.36Å; I275-W593 HydrophobicContact CG2-CG 4.45Å; I275-W593 HydrophobicContact CG2-CZ2 4.42Å
276	L	95.4	Very high	92.7	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	134.1	-178.8	-52.3	180	0	0	0	109.9	Y246 V247 L268 F270 D274 I278 A289 R290 K291 V302 Y382	Y246-L276 WeakPolarHBondContact CA-O 3.22Å; V247-L276 HydrophobicContact CG2-CB 3.92Å; V247-L276 PolarHBondContact N-O 2.83Å; V247-L276 PolarHBondContact O-N 3.49Å; L268-L276 HydrophobicContact CD2-CD2 4.36Å; F270-L276 HydrophobicContact CB-CD1 4.36Å; F270-L276 HydrophobicContact CB-CD2 4.13Å; F270-L276 HydrophobicContact CD1-CD1 3.84Å; F270-L276 HydrophobicContact CD2-CD1 4.41Å; F270-L276 HydrophobicContact CE1-CD1 4.21Å; F270-L276 HydrophobicContact CG-CD1 3.95Å; D274-L276 HydrophobicContact CB-CD2 4.37Å; L276-I278 HydrophobicContact CB-CD1 4.27Å; L276-A289 HydrophobicContact CB-CB 4.42Å; L276-R290 CarbonylContact C-O 3.58Å; L276-R290 WeakPolarHBondContact CA-O 3.2Å; L276-K291 HydrophobicContact CD2-CG 3.87Å; L276-V302 HydrophobicContact CD1-CG1 4.48Å; L276-Y382 HydrophobicContact CD1-CE1 3.93Å
277	Q	94.9	Very high	92.8	Very high	31 Å²	31	39 Å²	39	15%	0.145	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	109.2	167.1	-177.7	-179.1	22.5	0	0	108.2	Y246 V279 A289 R290	Y246-Q277 HydrophobicContact CD1-CB 3.85Å; Y246-Q277 HydrophobicContact CD1-CG 4.03Å; Y246-Q277 HydrophobicContact CE1-CB 3.67Å; Y246-Q277 HydrophobicContact CE1-CG 3.54Å; Y246-Q277 PolarHBondContact OH-NE2 2.9Å; Q277-V279 HydrophobicContact CG-CG1 4.17Å; Q277-A289 CarbonylContact O-C 3.51Å; Q277-A289 WeakPolarHBondContact O-CA 3.44Å; Q277-R290 PolarHBondContact N-O 3.08Å; Q277-R290 PolarHBondContact O-N 3.2Å
278	I	94.3	Very high	92.8	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.01	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	120.3	174.4	-48.3	-55.8	0	0	0	108.3	V245 V247 L276 Q281 W287 A289 V302	V245-I278 PolarHBondContact N-O 3.21Å; V245-I278 PolarHBondContact O-N 2.86Å; V247-I278 HydrophobicContact CG1-CG1 4.08Å; V247-I278 HydrophobicContact CG2-CD1 3.75Å; V247-I278 HydrophobicContact CG2-CG1 3.82Å; L276-I278 HydrophobicContact CB-CD1 4.27Å; I278-Q281 HydrophobicContact CG2-CG 3.46Å; I278-Q281 VanDerWaalsContact CG2-CG 3.46Å; I278-W287 HydrophobicContact CD1-CE3 4.39Å; I278-W287 HydrophobicContact CG2-CB 4.39Å; I278-W287 HydrophobicContact CG2-CE3 4.38Å; I278-A289 HydrophobicContact CD1-CB 3.61Å; I278-V302 HydrophobicContact CD1-CG2 4.4Å
279	V	91.8	Very high	92.8	Very high	15 Å²	15	36.9 Å²	36.9	9%	0.091	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	-22.9	-176.8	-62.6	0	0	0	0	112.7	H184 Q277 Q288 A299	H184-V279 HydrophobicContact CB-CB 4.4Å; H184-V279 HydrophobicContact CB-CG2 3.62Å; Q277-V279 HydrophobicContact CG-CG1 4.17Å; V279-Q288 HydrophobicContact CG2-CB 3.81Å; V279-Q288 WeakPolarHBondContact CG2-O 3.38Å; V279-Q288 PolarHBondContact N-O 3.37Å; V279-A299 HydrophobicContact CG2-CB 3.86Å
280	D	90.1	Very high	92.7	Very high	12 Å²	12	37.2 Å²	37.2	6%	0.064	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	125.5	-178.4	177.6	13.9	0	0	0	110.9	H184 N282 W287 Q288	H184-D280 WeakPolarHBondContact CE1-CB 3.17Å; H184-D280 IonicContact CE1-OD2 2.78Å; H184-D280 PolarHBondContact CE1-OD2 3.26Å; H184-D280 IonicContact ND1-OD2 2.8Å; D280-N282 WeakPolarHBondContact OD1-CB 3.47Å; D280-N282 PolarHBondContact OD1-N 3.06Å; D280-N282 PolarHBondContact OD1-ND2 3.25Å; D280-W287 WeakPolarHBondContact O-CA 3.3Å; D280-W287 WeakPolarHBondContact O-CB 3.32Å; D280-Q288 HydrophobicContact CB-CB 3.97Å; D280-Q288 HydrophobicContact CB-CG 4.04Å; D280-Q288 PolarHBondContact N-O 2.83Å; D280-Q288 PolarHBondContact O-N 3.43Å; D280-Q288 PolarHBondContact OD2-NE2 2.9Å
281	Q	90.9	Very high	92.6	Very high	68 Å²	68	39.4 Å²	39.4	32%	0.318	21%	0.208	S	C	.	.			trans	-120.3	13.9	177.5	-58.7	-178.1	3.8	0	0	112.2	I278 D283 W287	I278-Q281 HydrophobicContact CG2-CG 3.46Å; I278-Q281 VanDerWaalsContact CG2-CG 3.46Å; Q281-D283 PolarHBondContact O-N 2.83Å; Q281-W287 HydrophobicContact CB-CG 4.45Å; Q281-W287 HydrophobicContact CG-CD2 4.08Å; Q281-W287 HydrophobicContact CG-CG 4.19Å
282	N	86.8	Confident	92.4	Very high	94 Å²	94	36.7 Å²	36.7	50%	0.503	20%	0.196	S	C	.	.			trans	-63.1	-30.6	-176.8	-69.9	-47.8	0	0	0	112.7	N240 Q242 D280	N240-N282 PolarHBondContact OD1-ND2 2.77Å; Q242-N282 PolarHBondContact NE2-OD1 3.25Å; Q242-N282 VanDerWaalsContact NE2-OD1 3.16Å; D280-N282 WeakPolarHBondContact OD1-CB 3.47Å; D280-N282 PolarHBondContact OD1-N 3.06Å; D280-N282 PolarHBondContact OD1-ND2 3.25Å
283	D	88.6	Confident	92.1	Very high	46 Å²	46	38.7 Å²	38.7	25%	0.246	22%	0.218	C	C	.	.	S	Bend	trans	-85.9	126.3	171.5	-177.4	-38.1	0	0	0	110.7	R181 Q281 L285 W286 W287	R181-D283 IonicContact CZ-OD2 3.24Å; R181-D283 IonicContact NH1-OD2 2.79Å; R181-D283 IonicContact NH2-OD2 2.9Å; R181-D283 PolarHBondContact NH2-OD2 2.66Å; Q281-D283 PolarHBondContact O-N 2.83Å; D283-L285 PolarHBondContact O-N 3.5Å; D283-L285 WeakPolarHBondContact OD1-CA 3.44Å; D283-L285 PolarHBondContact OD1-N 3.38Å; D283-W286 WeakPolarHBondContact CB-O 3.34Å; D283-W286 PolarHBondContact OD1-N 3.09Å; D283-W287 PolarHBondContact O-NE1 3.18Å
284	A	90.1	Very high	91.6	Very high	71 Å²	71	40.7 Å²	40.7	59%	0.587	22%	0.223	S	C	*	.	S	Bend	trans	-65	-22.8	-177.4	0	0	0	0	0	114.4	S304	A284-S304 WeakPolarHBondContact O-CB 3.32Å; A284-S304 PolarHBondContact O-OG 3.36Å
285	L	92.9	Very high	90.5	Very high	83 Å²	83	42.9 Å²	42.9	44%	0.435	24%	0.24	S	C	.	.	S	Bend	trans	-110.5	-32.7	-175.8	-60.2	-177.7	0	0	0	112.9	D283 S304 L307	D283-L285 PolarHBondContact O-N 3.5Å; D283-L285 WeakPolarHBondContact OD1-CA 3.44Å; D283-L285 PolarHBondContact OD1-N 3.38Å; L285-S304 WeakPolarHBondContact O-CB 3.43Å; L285-S304 PolarHBondContact O-N 3.07Å; L285-L307 HydrophobicContact CB-CD2 4.43Å; L285-L307 HydrophobicContact CD2-CB 4.48Å; L285-L307 HydrophobicContact CD2-CD1 4.47Å; L285-L307 WeakPolarHBondContact O-CD2 3.32Å
286	W	94.4	Very high	89.4	Confident	12 Å²	12	45.6 Å²	45.6	5%	0.045	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	100.1	-171.7	-67.3	101.6	0	0	0	112.6	R181 Y253 D258 D260 I261 P262 D283 L301 V302 P303 L307	R181-W286 PolarHBondContact NH1-O 3.12Å; Y253-W286 VanDerWaalsContact OH-CH2 3.26Å; Y253-W286 WeakPolarHBondContact OH-CH2 3.46Å; Y253-W286 VanDerWaalsContact OH-CZ3 3.25Å; Y253-W286 WeakPolarHBondContact OH-CZ3 3.38Å; D258-W286 WeakPolarHBondContact OD2-CH2 3.47Å; D260-W286 HydrophobicContact CB-CZ2 4.41Å; D260-W286 WeakPolarHBondContact O-CZ2 3.27Å; I261-W286 VanDerWaalsContact CA-CZ2 3.45Å; I261-W286 HydrophobicContact CB-CH2 3.67Å; I261-W286 HydrophobicContact CB-CZ2 4.07Å; I261-W286 HydrophobicContact CB-CZ3 4.21Å; I261-W286 HydrophobicContact CD1-CH2 4.41Å; I261-W286 HydrophobicContact CD1-CZ3 4.1Å; I261-W286 HydrophobicContact CG1-CE3 4.31Å; I261-W286 HydrophobicContact CG1-CH2 3.76Å; I261-W286 HydrophobicContact CG1-CZ2 4.3Å; I261-W286 HydrophobicContact CG1-CZ3 3.77Å; P262-W286 VanDerWaalsContact CD-NE1 3.34Å; P262-W286 HydrophobicContact CG-CD2 4.25Å; P262-W286 HydrophobicContact CG-CG 3.93Å; D283-W286 WeakPolarHBondContact CB-O 3.34Å; D283-W286 PolarHBondContact OD1-N 3.09Å; W286-L301 HydrophobicContact CE3-CB 4.23Å; W286-V302 CarbonylContact C-O 3.57Å; W286-P303 HydrophobicContact CE3-CG 4.43Å; W286-P303 HydrophobicContact CH2-CG 4.06Å; W286-P303 HydrophobicContact CZ3-CB 4.38Å; W286-P303 HydrophobicContact CZ3-CG 3.69Å; W286-L307 HydrophobicContact CD2-CD2 4.25Å; W286-L307 HydrophobicContact CH2-CD2 4.05Å; W286-L307 HydrophobicContact CZ2-CD2 3.54Å
287	W	94.9	Very high	88.8	Confident	30 Å²	30	48.4 Å²	48.4	11%	0.114	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	157.4	176.6	-62.1	-14.9	0	0	0	111.3	I278 D280 Q281 D283 L301 V302 S304 N305 Y382	I278-W287 HydrophobicContact CD1-CE3 4.39Å; I278-W287 HydrophobicContact CG2-CB 4.39Å; I278-W287 HydrophobicContact CG2-CE3 4.38Å; D280-W287 WeakPolarHBondContact O-CA 3.3Å; D280-W287 WeakPolarHBondContact O-CB 3.32Å; Q281-W287 HydrophobicContact CB-CG 4.45Å; Q281-W287 HydrophobicContact CG-CD2 4.08Å; Q281-W287 HydrophobicContact CG-CG 4.19Å; D283-W287 PolarHBondContact O-NE1 3.18Å; W287-L301 WeakPolarHBondContact O-CA 3.33Å; W287-V302 HydrophobicContact CB-CG2 3.9Å; W287-V302 PolarHBondContact N-O 3.21Å; W287-V302 PolarHBondContact O-N 3.14Å; W287-S304 VanDerWaalsContact CE2-CB 3.49Å; W287-N305 HydrophobicContact CH2-CB 3.59Å; W287-N305 HydrophobicContact CZ2-CB 4.19Å; W287-N305 HydrophobicContact CZ3-CB 4.25Å; W287-Y382 HydrophobicContact CE3-CE2 4.4Å; W287-Y382 AromaticContact CZ3-CD2 3.96Å; W287-Y382 HydrophobicContact CZ3-CD2 3.96Å; W287-Y382 HydrophobicContact CZ3-CE2 4.19Å
288	Q	93.9	Very high	88.4	Confident	1 Å²	1	49.3 Å²	49.3	1%	0.005	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	131.5	167.3	-48.9	-171.1	34.3	0	0	109.8	I182 I183 H184 V279 D280 A299 G300 L301	I182-Q288 PolarHBondContact O-NE2 3.48Å; I182-Q288 PolarHBondContact O-OE1 2.91Å; I183-Q288 VanDerWaalsContact CA-OE1 3.3Å; H184-Q288 PolarHBondContact ND1-NE2 2.74Å; H184-Q288 PolarHBondContact ND1-OE1 2.95Å; V279-Q288 HydrophobicContact CG2-CB 3.81Å; V279-Q288 WeakPolarHBondContact CG2-O 3.38Å; V279-Q288 PolarHBondContact N-O 3.37Å; D280-Q288 HydrophobicContact CB-CB 3.97Å; D280-Q288 HydrophobicContact CB-CG 4.04Å; D280-Q288 PolarHBondContact N-O 2.83Å; D280-Q288 PolarHBondContact O-N 3.43Å; D280-Q288 PolarHBondContact OD2-NE2 2.9Å; Q288-A299 HydrophobicContact CB-CB 3.96Å; Q288-G300 WeakPolarHBondContact CA-O 3.19Å; Q288-L301 HydrophobicContact CG-CD2 4.19Å
289	A	94.8	Very high	88.4	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	163.3	-179	0	0	0	0	0	112	L268 L276 Q277 I278 A299 G300 V302	L268-A289 HydrophobicContact CD2-CB 4.19Å; L268-A289 WeakPolarHBondContact CD2-O 3.2Å; L276-A289 HydrophobicContact CB-CB 4.42Å; Q277-A289 CarbonylContact O-C 3.51Å; Q277-A289 WeakPolarHBondContact O-CA 3.44Å; I278-A289 HydrophobicContact CD1-CB 3.61Å; A289-A299 CarbonylContact O-C 3.57Å; A289-A299 VanDerWaalsContact O-CA 3.24Å; A289-A299 WeakPolarHBondContact O-CA 3.23Å; A289-A299 WeakPolarHBondContact O-CB 3.45Å; A289-G300 PolarHBondContact N-O 3.14Å; A289-G300 PolarHBondContact O-N 3.21Å; A289-V302 HydrophobicContact CB-CG1 3.97Å; A289-V302 HydrophobicContact CB-CG2 3.69Å
290	R	92.8	Very high	88.5	Confident	47 Å²	47	49 Å²	49	18%	0.177	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	151.5	171	-64.9	178.9	-154.7	-173.5	13.5	110.1	H184 G185 L276 Q277 T297 A299	H184-R290 VanDerWaalsContact C-NH2 3.33Å; H184-R290 PolarHBondContact O-NH2 3.25Å; G185-R290 VanDerWaalsContact N-NH2 3.16Å; L276-R290 CarbonylContact C-O 3.58Å; L276-R290 WeakPolarHBondContact CA-O 3.2Å; Q277-R290 PolarHBondContact N-O 3.08Å; Q277-R290 PolarHBondContact O-N 3.2Å; R290-T297 WeakPolarHBondContact CD-O 3.33Å; R290-A299 HydrophobicContact CG-CB 3.91Å
291	K	92.7	Very high	88.7	Confident	47 Å²	47	48.5 Å²	48.5	20%	0.204	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	136	168.4	-67.4	-167.1	-176.7	-162.8	0	109.6	L268 P269 D274 L276 S293 D294	L268-K291 HydrophobicContact CD1-CG 4.28Å; L268-K291 HydrophobicContact CD2-CG 4.3Å; P269-K291 WeakPolarHBondContact O-CE 3.23Å; P269-K291 PolarHBondContact O-NZ 3.48Å; D274-K291 WeakPolarHBondContact OD2-CE 3.5Å; D274-K291 IonicContact OD2-NZ 2.9Å; D274-K291 PolarHBondContact OD2-NZ 3.01Å; L276-K291 HydrophobicContact CD2-CG 3.87Å; K291-S293 PolarHBondContact O-N 2.96Å; K291-D294 CarbonylContact O-C 3.57Å; K291-D294 PolarHBondContact O-N 3.38Å
292	I	89.4	Confident	89	Confident	50 Å²	50	45.3 Å²	45.3	26%	0.256	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-26.8	178.1	-65.4	-171.8	0	0	0	112.4	Y246 I275 D294 W593	Y246-I292 HydrophobicContact CD1-CD1 3.55Å; Y246-I292 HydrophobicContact CD1-CG1 4.3Å; Y246-I292 HydrophobicContact CE1-CD1 3.79Å; Y246-I292 HydrophobicContact CE1-CG1 4.32Å; I275-I292 HydrophobicContact CB-CD1 3.96Å; I275-I292 HydrophobicContact CB-CG1 4.42Å; I275-I292 HydrophobicContact CG2-CD1 3.36Å; I275-I292 HydrophobicContact CG2-CG1 4.19Å; I275-I292 PolarHBondContact O-N 3.02Å; I292-D294 PolarHBondContact O-N 2.96Å; I292-W593 HydrophobicContact CD1-CH2 3.57Å; I292-W593 HydrophobicContact CD1-CZ2 3.11Å
293	S	83.8	Confident	89.4	Confident	108 Å²	108	40.8 Å²	40.8	76%	0.755	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-19.7	175.3	48.7	0	0	0	0	113.5	K291	K291-S293 PolarHBondContact O-N 2.96Å
294	D	81.1	Confident	89.7	Confident	68 Å²	68	38.6 Å²	38.6	36%	0.364	24%	0.239	S	C	.	.			trans	-139.8	76.1	-178.7	-174.3	10.8	0	0	0	111.1	K291 I292 A296 T297	K291-D294 CarbonylContact O-C 3.57Å; K291-D294 PolarHBondContact O-N 3.38Å; I292-D294 PolarHBondContact O-N 2.96Å; D294-A296 PolarHBondContact O-N 3.48Å; D294-T297 PolarHBondContact O-OG1 3.3Å; D294-T297 VanDerWaalsContact O-OG1 3.06Å; D294-T297 WeakPolarHBondContact OD2-CG2 3.41Å; D294-T297 PolarHBondContact OD2-OG1 3.45Å
295	P	71.3	Confident	89.7	Confident	88 Å²	88	37 Å²	37	57%	0.571	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-13.5	-177.3	30.6	-34.8	0	0	0	113.2
296	A	72.6	Confident	89.5	Confident	85 Å²	85	39.6 Å²	39.6	70%	0.702	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-19.4	-175.8	0	0	0	0	0	112.9	D294	D294-A296 PolarHBondContact O-N 3.48Å
297	T	82.3	Confident	89.2	Confident	58 Å²	58	39.6 Å²	39.6	36%	0.356	23%	0.231	S	C	.	.	S	Bend	trans	-79.1	155.4	176.5	45	0	0	0	0	112.3	R290 D294	R290-T297 WeakPolarHBondContact CD-O 3.33Å; D294-T297 PolarHBondContact O-OG1 3.3Å; D294-T297 VanDerWaalsContact O-OG1 3.06Å; D294-T297 WeakPolarHBondContact OD2-CG2 3.41Å; D294-T297 PolarHBondContact OD2-OG1 3.45Å
298	C	88.1	Confident	88.9	Confident	50 Å²	50	38.9 Å²	38.9	34%	0.338	23%	0.23	S	C	.	.	P	Polyproline II helix	trans	-63.4	158.6	170.2	59.8	0	0	0	0	110.1	I183 H184	I183-C298 HydrophobicContact CG2-CB 4.18Å; H184-C298 CarbonylContact O-C 3.54Å; H184-C298 WeakPolarHBondContact O-CA 3.46Å
299	A	92.6	Very high	88.6	Confident	5 Å²	5	42.6 Å²	42.6	4%	0.041	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-60.5	155.7	171.2	0	0	0	0	0	111.1	I183 H184 V279 Q288 A289 R290	I183-A299 HydrophobicContact CG2-CB 4.34Å; I183-A299 WeakPolarHBondContact CG2-O 3.39Å; H184-A299 HydrophobicContact CB-CB 3.89Å; H184-A299 WeakPolarHBondContact O-CB 3.33Å; H184-A299 PolarHBondContact O-N 3.12Å; V279-A299 HydrophobicContact CG2-CB 3.86Å; Q288-A299 HydrophobicContact CB-CB 3.96Å; A289-A299 CarbonylContact O-C 3.57Å; A289-A299 VanDerWaalsContact O-CA 3.24Å; A289-A299 WeakPolarHBondContact O-CA 3.23Å; A289-A299 WeakPolarHBondContact O-CB 3.45Å; R290-A299 HydrophobicContact CG-CB 3.91Å
300	G	94.2	Very high	88.1	Confident	7 Å²	7	49.1 Å²	49.1	7%	0.072	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	167.8	166.6	0	0	0	0	0	110.8	A266 Q288 A289	A266-G300 CarbonylContact O-C 3.58Å; A266-G300 WeakPolarHBondContact O-CA 3.42Å; Q288-G300 WeakPolarHBondContact CA-O 3.19Å; A289-G300 PolarHBondContact N-O 3.14Å; A289-G300 PolarHBondContact O-N 3.21Å
301	L	95.6	Very high	87.6	Confident	1 Å²	1	49.2 Å²	49.2	1%	0.005	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	129.2	-178.7	-61	179.4	0	0	0	110.2	I183 A266 L268 W286 W287 Q288	I183-L301 HydrophobicContact CD1-CD2 4.46Å; A266-L301 HydrophobicContact CB-CD1 4.08Å; A266-L301 HydrophobicContact CB-CG 4.18Å; A266-L301 PolarHBondContact O-N 3.01Å; L268-L301 PolarHBondContact N-O 3.14Å; W286-L301 HydrophobicContact CE3-CB 4.23Å; W287-L301 WeakPolarHBondContact O-CA 3.33Å; Q288-L301 HydrophobicContact CG-CD2 4.19Å
302	V	96.4	Very high	86.9	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	144.2	169.2	-60.9	0	0	0	0	109.1	L268 F270 L276 I278 W286 W287 A289	L268-V302 HydrophobicContact CB-CG1 3.82Å; L268-V302 HydrophobicContact CD2-CG1 4Å; L268-V302 HydrophobicContact CG-CG1 4.29Å; F270-V302 HydrophobicContact CD1-CG1 3.9Å; F270-V302 HydrophobicContact CE1-CB 3.97Å; F270-V302 HydrophobicContact CE1-CG1 3.81Å; L276-V302 HydrophobicContact CD1-CG1 4.48Å; I278-V302 HydrophobicContact CD1-CG2 4.4Å; W286-V302 CarbonylContact C-O 3.57Å; W287-V302 HydrophobicContact CB-CG2 3.9Å; W287-V302 PolarHBondContact N-O 3.21Å; W287-V302 PolarHBondContact O-N 3.14Å; A289-V302 HydrophobicContact CB-CG1 3.97Å; A289-V302 HydrophobicContact CB-CG2 3.69Å
303	P	96.1	Very high	86.4	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.7	142.9	173	-30.3	38.4	0	0	0	111.7	Y253 W286 L307 L308 Y382	Y253-P303 HydrophobicContact CD1-CG 4.14Å; Y253-P303 HydrophobicContact CD2-CG 3.67Å; Y253-P303 HydrophobicContact CE1-CG 3.88Å; Y253-P303 HydrophobicContact CE2-CG 3.39Å; Y253-P303 HydrophobicContact CG-CG 4.04Å; W286-P303 HydrophobicContact CE3-CG 4.43Å; W286-P303 HydrophobicContact CH2-CG 4.06Å; W286-P303 HydrophobicContact CZ3-CB 4.38Å; W286-P303 HydrophobicContact CZ3-CG 3.69Å; P303-L307 HydrophobicContact CB-CB 4.35Å; P303-L307 HydrophobicContact CB-CD2 3.96Å; P303-L307 HydrophobicContact CB-CG 4.3Å; P303-L308 HydrophobicContact CB-CD1 3.98Å; P303-L308 HydrophobicContact CB-CD2 3.86Å; P303-L308 HydrophobicContact CB-CG 3.57Å; P303-L308 HydrophobicContact CG-CD2 4.11Å; P303-L308 HydrophobicContact CG-CG 4.34Å; P303-Y382 VanDerWaalsContact O-CE2 3.29Å; P303-Y382 WeakPolarHBondContact O-CE2 3.49Å; P303-Y382 PolarHBondContact O-OH 3.08Å
304	S	93.8	Very high	85.9	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.276	C	S	.	.			trans	-69.1	162.1	172.3	78.2	0	0	0	0	111.2	A284 L285 W287 H306 L307 L308	A284-S304 WeakPolarHBondContact O-CB 3.32Å; A284-S304 PolarHBondContact O-OG 3.36Å; L285-S304 WeakPolarHBondContact O-CB 3.43Å; L285-S304 PolarHBondContact O-N 3.07Å; W287-S304 VanDerWaalsContact CE2-CB 3.49Å; S304-H306 PolarHBondContact O-N 3.24Å; S304-H306 PolarHBondContact OG-N 3.49Å; S304-L307 PolarHBondContact O-N 3.47Å; S304-L307 VanDerWaalsContact O-N 3.12Å; S304-L307 PolarHBondContact OG-N 3.02Å; S304-L307 VanDerWaalsContact OG-N 3.12Å; S304-L308 PolarHBondContact O-N 3.49Å
305	N	90.3	Very high	85.3	Confident	37 Å²	37	57 Å²	57	20%	0.198	29%	0.285	C	S	.	.	H	α-helix	trans	-53.2	-38.1	171.6	-171.5	21.6	0	0	0	112.1	W287 K309 P381 Y382	W287-N305 HydrophobicContact CH2-CB 3.59Å; W287-N305 HydrophobicContact CZ2-CB 4.19Å; W287-N305 HydrophobicContact CZ3-CB 4.25Å; N305-K309 PolarHBondContact ND2-NZ 3.21Å; N305-K309 WeakPolarHBondContact O-CB 3.37Å; N305-K309 VanDerWaalsContact O-CG 3.25Å; N305-K309 WeakPolarHBondContact O-CG 3.5Å; N305-K309 PolarHBondContact O-N 3.08Å; N305-K309 VanDerWaalsContact O-N 3.13Å; N305-K309 WeakPolarHBondContact OD1-CE 3.04Å; N305-K309 PolarHBondContact OD1-NZ 3.06Å; N305-P381 WeakPolarHBondContact OD1-CD 3.46Å; N305-P381 WeakPolarHBondContact OD1-CG 3.25Å; N305-Y382 HydrophobicContact CB-CD2 4.4Å
306	H	87.9	Confident	84.7	Confident	138 Å²	138	61.9 Å²	61.9	64%	0.639	29%	0.293	S	S	*	.	H	α-helix	trans	-68	-43.2	178.5	-68.6	-87.3	0	0	0	112	S304 R310	S304-H306 PolarHBondContact O-N 3.24Å; S304-H306 PolarHBondContact OG-N 3.49Å; H306-R310 WeakPolarHBondContact O-CB 3.19Å; H306-R310 PolarHBondContact O-N 2.96Å
307	L	89.3	Confident	83.6	Confident	12 Å²	12	68.2 Å²	68.2	6%	0.063	30%	0.298	C	S	.	.	H	α-helix	trans	-64.2	-47.5	-179.9	-177	58.1	0	0	0	111.3	L285 W286 P303 S304 K309 R310 K311	L285-L307 HydrophobicContact CB-CD2 4.43Å; L285-L307 HydrophobicContact CD2-CB 4.48Å; L285-L307 HydrophobicContact CD2-CD1 4.47Å; L285-L307 WeakPolarHBondContact O-CD2 3.32Å; W286-L307 HydrophobicContact CD2-CD2 4.25Å; W286-L307 HydrophobicContact CH2-CD2 4.05Å; W286-L307 HydrophobicContact CZ2-CD2 3.54Å; P303-L307 HydrophobicContact CB-CB 4.35Å; P303-L307 HydrophobicContact CB-CD2 3.96Å; P303-L307 HydrophobicContact CB-CG 4.3Å; S304-L307 PolarHBondContact O-N 3.47Å; S304-L307 VanDerWaalsContact O-N 3.12Å; S304-L307 PolarHBondContact OG-N 3.02Å; S304-L307 VanDerWaalsContact OG-N 3.12Å; L307-K309 PolarHBondContact O-N 3.28Å; L307-R310 WeakPolarHBondContact O-CB 3.38Å; L307-R310 PolarHBondContact O-N 3.24Å; L307-K311 WeakPolarHBondContact O-CG 3.47Å; L307-K311 PolarHBondContact O-N 2.87Å
308	L	88.6	Confident	82.1	Confident	14 Å²	14	69.2 Å²	69.2	7%	0.073	31%	0.308	C	S	.	.	H	α-helix	trans	-64.5	-42.2	178.6	-73.5	170.7	0	0	0	112.4	T251 P303 S304 R310 K311 Q312 P381 Y382	T251-L308 HydrophobicContact CG2-CD1 4.12Å; P303-L308 HydrophobicContact CB-CD1 3.98Å; P303-L308 HydrophobicContact CB-CD2 3.86Å; P303-L308 HydrophobicContact CB-CG 3.57Å; P303-L308 HydrophobicContact CG-CD2 4.11Å; P303-L308 HydrophobicContact CG-CG 4.34Å; S304-L308 PolarHBondContact O-N 3.49Å; L308-R310 VanDerWaalsContact C-N 3.27Å; L308-R310 PolarHBondContact O-N 2.8Å; L308-K311 PolarHBondContact O-N 2.68Å; L308-Q312 WeakPolarHBondContact O-CB 3.44Å; L308-Q312 VanDerWaalsContact O-CG 3.27Å; L308-Q312 WeakPolarHBondContact O-CG 3.47Å; L308-Q312 PolarHBondContact O-N 2.7Å; L308-P381 HydrophobicContact CB-CB 3.7Å; L308-P381 HydrophobicContact CB-CG 3.69Å; L308-P381 HydrophobicContact CD1-CB 3.53Å; L308-P381 HydrophobicContact CD1-CG 4.08Å; L308-P381 HydrophobicContact CG-CB 4.24Å; L308-Y382 HydrophobicContact CD1-CD2 4.46Å; L308-Y382 HydrophobicContact CD1-CE2 3.59Å
309	K	86.1	Confident	79.8	Confident	79 Å²	79	71.9 Å²	71.9	34%	0.343	32%	0.316	S	S	.	.	H	α-helix	trans	-61.4	-36.4	175	-77.6	174.2	174.5	171.1	0	112.3	N305 L307 R313 P381	N305-K309 PolarHBondContact ND2-NZ 3.21Å; N305-K309 WeakPolarHBondContact O-CB 3.37Å; N305-K309 VanDerWaalsContact O-CG 3.25Å; N305-K309 WeakPolarHBondContact O-CG 3.5Å; N305-K309 PolarHBondContact O-N 3.08Å; N305-K309 VanDerWaalsContact O-N 3.13Å; N305-K309 WeakPolarHBondContact OD1-CE 3.04Å; N305-K309 PolarHBondContact OD1-NZ 3.06Å; L307-K309 PolarHBondContact O-N 3.28Å; K309-R313 WeakPolarHBondContact O-CG 3.37Å; K309-R313 PolarHBondContact O-N 2.68Å; K309-R313 VanDerWaalsContact O-N 3.13Å; K309-P381 HydrophobicContact CG-CG 4.4Å
310	R	85.4	Confident	77.2	Confident	138 Å²	138	76 Å²	76	52%	0.521	34%	0.342	S	S	.	.	H	α-helix	trans	-65.2	-53	174.6	178.9	-179.6	172.7	-175.8	-4.6	110.9	H306 L307 L308 Q312 R313 E314	H306-R310 WeakPolarHBondContact O-CB 3.19Å; H306-R310 PolarHBondContact O-N 2.96Å; L307-R310 WeakPolarHBondContact O-CB 3.38Å; L307-R310 PolarHBondContact O-N 3.24Å; L308-R310 VanDerWaalsContact C-N 3.27Å; L308-R310 PolarHBondContact O-N 2.8Å; R310-Q312 VanDerWaalsContact C-N 3.31Å; R310-Q312 PolarHBondContact O-N 3.44Å; R310-R313 PolarHBondContact O-N 3.1Å; R310-R313 VanDerWaalsContact O-N 3.11Å; R310-E314 WeakPolarHBondContact CG-OE1 3.44Å; R310-E314 IonicContact CZ-OE1 2.66Å; R310-E314 IonicContact NE-OE1 2.75Å; R310-E314 PolarHBondContact NE-OE1 3.11Å; R310-E314 IonicContact NH2-OE1 3.12Å; R310-E314 PolarHBondContact NH2-OE1 3.09Å; R310-E314 PolarHBondContact O-N 3.3Å
311	K	83.1	Confident	74.4	Confident	48 Å²	48	86.2 Å²	86.2	21%	0.209	38%	0.38	C	S	.	.	H	α-helix	trans	-58.8	-41.6	179.3	-70.3	-169.6	176.6	-159	0	112.5	D258 D260 L307 L308 E314 F315	D258-K311 IonicContact OD1-NZ 2.67Å; D258-K311 PolarHBondContact OD1-NZ 3.27Å; D258-K311 IonicContact OD2-NZ 2.79Å; D258-K311 PolarHBondContact OD2-NZ 2.75Å; D260-K311 WeakPolarHBondContact OD2-CE 3.43Å; D260-K311 IonicContact OD2-NZ 3.84Å; D260-K311 PolarHBondContact OD2-NZ 3.25Å; L307-K311 WeakPolarHBondContact O-CG 3.47Å; L307-K311 PolarHBondContact O-N 2.87Å; L308-K311 PolarHBondContact O-N 2.68Å; K311-E314 PolarHBondContact O-N 2.9Å; K311-F315 WeakPolarHBondContact O-CB 3.37Å; K311-F315 PolarHBondContact O-N 3.08Å
312	Q	77.9	Confident	71.2	Confident	58 Å²	58	93.5 Å²	93.5	27%	0.271	41%	0.414	S	S	.	.	H	α-helix	trans	-57.8	-53.3	173.4	-75.3	174.6	-3.3	0	0	110.5	L308 R310 E314 F315 W316	L308-Q312 WeakPolarHBondContact O-CB 3.44Å; L308-Q312 VanDerWaalsContact O-CG 3.27Å; L308-Q312 WeakPolarHBondContact O-CG 3.47Å; L308-Q312 PolarHBondContact O-N 2.7Å; R310-Q312 VanDerWaalsContact C-N 3.31Å; R310-Q312 PolarHBondContact O-N 3.44Å; Q312-E314 PolarHBondContact O-N 3.03Å; Q312-F315 WeakPolarHBondContact O-CB 3.35Å; Q312-F315 PolarHBondContact O-N 3.07Å; Q312-W316 PolarHBondContact O-N 3.43Å
313	R	77.6	Confident	67.9	Low	159 Å²	159	98.2 Å²	98.2	60%	0.6	44%	0.444	S	S	*	.	H	α-helix	trans	-56.6	-46.8	178.5	-75.9	-172.9	-64.6	-177.9	2.2	112.3	K309 R310 F315 W316 W317	K309-R313 WeakPolarHBondContact O-CG 3.37Å; K309-R313 PolarHBondContact O-N 2.68Å; K309-R313 VanDerWaalsContact O-N 3.13Å; R310-R313 PolarHBondContact O-N 3.1Å; R310-R313 VanDerWaalsContact O-N 3.11Å; R313-F315 VanDerWaalsContact C-N 3.32Å; R313-F315 PolarHBondContact O-N 3.27Å; R313-W316 WeakPolarHBondContact O-CB 3.48Å; R313-W316 PolarHBondContact O-N 3.37Å; R313-W317 PolarHBondContact O-N 3.39Å
314	E	73.9	Confident	64.8	Low	93 Å²	93	107 Å²	107	44%	0.435	49%	0.485	S	S	.	.	H	α-helix	trans	-60	-42.2	177.8	-71.6	171.1	179.4	0	0	111.7	R310 K311 Q312 W317 S318	R310-E314 WeakPolarHBondContact CG-OE1 3.44Å; R310-E314 IonicContact CZ-OE1 2.66Å; R310-E314 IonicContact NE-OE1 2.75Å; R310-E314 PolarHBondContact NE-OE1 3.11Å; R310-E314 IonicContact NH2-OE1 3.12Å; R310-E314 PolarHBondContact NH2-OE1 3.09Å; R310-E314 PolarHBondContact O-N 3.3Å; K311-E314 PolarHBondContact O-N 2.9Å; Q312-E314 PolarHBondContact O-N 3.03Å; E314-W317 PolarHBondContact O-N 3.49Å; E314-S318 WeakPolarHBondContact O-CB 3.39Å; E314-S318 PolarHBondContact O-N 3.16Å; E314-S318 VanDerWaalsContact O-N 3.07Å; E314-S318 PolarHBondContact O-OG 3.34Å
315	F	69.3	Low	61.5	Low	126 Å²	126	113.7 Å²	113.7	55%	0.553	53%	0.526	S	S	*	.	H	α-helix	trans	-59.4	-47.9	172	-178.3	-95.8	0	0	0	111.8	K311 Q312 R313 W317 S318 Q319	K311-F315 WeakPolarHBondContact O-CB 3.37Å; K311-F315 PolarHBondContact O-N 3.08Å; Q312-F315 WeakPolarHBondContact O-CB 3.35Å; Q312-F315 PolarHBondContact O-N 3.07Å; R313-F315 VanDerWaalsContact C-N 3.32Å; R313-F315 PolarHBondContact O-N 3.27Å; F315-W317 VanDerWaalsContact C-N 3.29Å; F315-W317 PolarHBondContact O-N 3.2Å; F315-S318 PolarHBondContact O-N 2.88Å; F315-S318 VanDerWaalsContact O-N 3.13Å; F315-S318 PolarHBondContact O-OG 3.06Å; F315-Q319 HydrophobicContact CE1-CG 4.25Å; F315-Q319 HydrophobicContact CZ-CG 4.4Å; F315-Q319 VanDerWaalsContact CZ-NE2 3.29Å; F315-Q319 PolarHBondContact O-N 3.3Å
316	W	57.4	Low	58.3	Low	192 Å²	192	117 Å²	117	73%	0.727	55%	0.551	S	S	*	*	H	α-helix	trans	-57.6	-38.1	176.4	-73.5	103.7	0	0	0	113.1	Q312 R313	Q312-W316 PolarHBondContact O-N 3.43Å; R313-W316 WeakPolarHBondContact O-CB 3.48Å; R313-W316 PolarHBondContact O-N 3.37Å
317	W	49.6	Very low	55.5	Low	217 Å²	217	118.1 Å²	118.1	82%	0.822	56%	0.561	S	S	*	*	H	α-helix	trans	-76.5	-21.6	178.8	-65.3	121.8	0	0	0	113.9	R313 E314 F315	R313-W317 PolarHBondContact O-N 3.39Å; E314-W317 PolarHBondContact O-N 3.49Å; F315-W317 VanDerWaalsContact C-N 3.29Å; F315-W317 PolarHBondContact O-N 3.2Å
318	S	51.2	Low	52.3	Low	80 Å²	80	127.3 Å²	127.3	56%	0.559	60%	0.6	S	S	*	*	H	α-helix	trans	-83.2	-13.4	179.8	70.4	0	0	0	0	114.4	E314 F315	E314-S318 WeakPolarHBondContact O-CB 3.39Å; E314-S318 PolarHBondContact O-N 3.16Å; E314-S318 VanDerWaalsContact O-N 3.07Å; E314-S318 PolarHBondContact O-OG 3.34Å; F315-S318 PolarHBondContact O-N 2.88Å; F315-S318 VanDerWaalsContact O-N 3.13Å; F315-S318 PolarHBondContact O-OG 3.06Å
319	Q	40.3	Very low	49.1	Very low	106 Å²	106	129.9 Å²	129.9	50%	0.495	62%	0.619	S	S	.	*	S	Bend	trans	-83	128.4	-178	-68.6	-67	-29.5	0	0	111.5	F315 Y321	F315-Q319 HydrophobicContact CE1-CG 4.25Å; F315-Q319 HydrophobicContact CZ-CG 4.4Å; F315-Q319 VanDerWaalsContact CZ-NE2 3.29Å; F315-Q319 PolarHBondContact O-N 3.3Å; Q319-Y321 PolarHBondContact O-N 3.16Å
320	P	36.8	Very low	46.1	Very low	91 Å²	91	132.6 Å²	132.6	59%	0.591	64%	0.642	S	S	*	*			trans	-62	134.8	170.1	24.4	-30.3	0	0	0	109.6	Q322	P320-Q322 PolarHBondContact O-N 2.93Å
321	Y	35.7	Very low	43.4	Very low	222 Å²	222	132.8 Å²	132.8	87%	0.871	65%	0.653	S	S	*	*			trans	-55.7	103.3	177.8	-171.3	-93.6	0	0	0	110	Q319 P323	Q319-Y321 PolarHBondContact O-N 3.16Å; Y321-P323 WeakPolarHBondContact O-CD 3.19Å
322	Q	29.6	Very low	40.6	Very low	154 Å²	154	141.1 Å²	141.1	72%	0.72	69%	0.685	S	S	*	*			trans	-96.7	111.6	175.4	-69.7	-151.5	-14.8	0	0	109.7	P320 H324	P320-Q322 PolarHBondContact O-N 2.93Å; Q322-H324 PolarHBondContact O-N 3.33Å
323	P	26.9	Very low	37.9	Very low	98 Å²	98	147 Å²	147	64%	0.636	71%	0.709	S	S	*	*			trans	-67.4	119.7	168.3	27.3	-28.9	0	0	0	107.7	Y321 T325	Y321-P323 WeakPolarHBondContact O-CD 3.19Å; P323-T325 PolarHBondContact O-N 3.05Å
324	H	31	Very low	35.5	Very low	186 Å²	186	147.1 Å²	147.1	86%	0.861	72%	0.717	S	S	*	*			trans	-56.5	113.6	177.3	-64.8	-67.9	0	0	0	110.4	Q322 C326	Q322-H324 PolarHBondContact O-N 3.33Å; H324-C326 PolarHBondContact O-N 3.42Å
325	T	24.7	Very low	33.2	Very low	139 Å²	139	149.2 Å²	149.2	85%	0.853	73%	0.727	S	S	*	*			trans	-67.8	111.1	-179.8	-33.6	0	0	0	0	110.1	P323	P323-T325 PolarHBondContact O-N 3.05Å
326	C	23	Very low	31	Very low	107 Å²	107	151 Å²	151	72%	0.723	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-79.4	118.8	178.7	-167.7	0	0	0	0	110.7	H324	H324-C326 PolarHBondContact O-N 3.42Å
327	L	27.6	Very low	29.7	Very low	162 Å²	162	146.8 Å²	146.8	85%	0.848	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-81.5	141.3	172.9	-93.1	144.3	0	0	0	111.2
328	K	22.4	Very low	28.5	Very low	204 Å²	204	140.1 Å²	140.1	89%	0.887	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-76.1	149.2	-171.2	-75.4	176.4	174.4	175.6	0	113.9
329	S	21.9	Very low	27.5	Very low	68 Å²	68	145.8 Å²	145.8	48%	0.476	74%	0.739	S	S	.	*	P	Polyproline II helix	trans	-78	139.7	172.9	-164.4	0	0	0	0	113.9	L361	S329-L361 WeakPolarHBondContact OG-CD1 3.28Å; S329-L361 WeakPolarHBondContact OG-CD2 3.31Å
330	T	22.2	Very low	27	Very low	136 Å²	136	144 Å²	144	83%	0.834	75%	0.749	S	S	*	*			trans	-112.6	122.2	157.9	16.3	0	0	0	0	109.4
331	L	29.6	Very low	26.6	Very low	143 Å²	143	146.9 Å²	146.9	75%	0.749	76%	0.755	S	S	*	*			trans	-58.5	153.3	174.7	-84.7	107.4	0	0	0	112.4
332	Y	23.5	Very low	26.4	Very low	223 Å²	223	145.6 Å²	145.6	88%	0.875	75%	0.754	S	S	*	*				-173.9	133.3	122.3	-77.9	-57.8	0	0	0	114.3
333	K	23	Very low	26.3	Very low	180 Å²	180	146.8 Å²	146.8	78%	0.783	76%	0.757	S	S	*	*			trans	9.5	136.3	160	-70.4	179.8	171.5	-177.7	0	126.7
334	E	25.7	Very low	26.8	Very low	162 Å²	162	146.3 Å²	146.3	76%	0.757	75%	0.745	S	S	*	*				17.8	150.7	127.5	-66.8	167.8	172.1	0	0	120
335	E	25.6	Very low	27.3	Very low	138 Å²	138	140 Å²	140	65%	0.645	72%	0.717	S	S	*	*			cis	-176	176.3	5.4	-116.5	-171.5	170.5	0	0	109.5
336	F	23.9	Very low	27.9	Very low	163 Å²	163	134.4 Å²	134.4	72%	0.715	69%	0.685	S	S	*	*			trans	83.5	154.1	159.4	-85.6	-79.8	0	0	0	124.2
337	V	30.3	Very low	29	Very low	104 Å²	104	129.9 Å²	129.9	63%	0.63	66%	0.656	S	S	*	*			trans	-104.6	144.4	-148.5	177.1	0	0	0	0	113.4
338	G	24.7	Very low	30	Very low	76 Å²	76	123.7 Å²	123.7	78%	0.784	62%	0.622	S	S	*	*			trans	-135.8	136.4	169.6	0	0	0	0	0	113.7
339	Y	29.4	Very low	31.7	Very low	199 Å²	199	114.4 Å²	114.4	78%	0.78	58%	0.582	S	S	*	*			trans	-86.1	148	-177.6	-90	-98.2	0	0	0	113.1	Y438	Y339-Y438 HydrophobicContact CE1-CE1 4.48Å
340	G	29.3	Very low	32.8	Very low	70 Å²	70	117.1 Å²	117.1	72%	0.722	58%	0.582	S	S	*	*			trans	129.4	98.5	148.6	0	0	0	0	0	116.5
341	Q	29.4	Very low	33.8	Very low	151 Å²	151	111.1 Å²	111.1	71%	0.706	55%	0.545	S	S	*	.			trans	-163.9	137.5	147.3	-112.7	166.6	-3.9	0	0	110.7	F343	Q341-F343 PolarHBondContact O-N 3.39Å
342	K	30.4	Very low	34.6	Very low	195 Å²	195	105 Å²	105	85%	0.848	51%	0.513	S	S	*	.	S	Bend	trans	-92	13.1	-161.8	-114.5	179.2	-178.8	178.7	0	115.7
343	F	28.7	Very low	35.6	Very low	179 Å²	179	98.4 Å²	98.4	79%	0.785	49%	0.486	S	S	*	.			trans	-140.3	118.3	175.7	-69.5	-85.7	0	0	0	109.4	Q341	Q341-F343 PolarHBondContact O-N 3.39Å
344	F	37.5	Very low	36.4	Very low	88 Å²	88	91.6 Å²	91.6	39%	0.386	46%	0.459	S	S	.	.			trans	-96.9	103.7	178.7	-59.2	-89.5	0	0	0	108.3	E444	F344-E444 HydrophobicContact CD1-CG 4.19Å; F344-E444 WeakPolarHBondContact CD1-OE1 3.33Å; F344-E444 WeakPolarHBondContact CG-OE1 3.39Å
345	I	40.5	Very low	37.1	Very low	52 Å²	52	84.6 Å²	84.6	27%	0.267	43%	0.427	S	S	.	.			trans	-98.7	117.3	169.3	-46.5	176.1	0	0	0	107	F348 R414 I417 E418	I345-F348 HydrophobicContact CB-CD2 3.61Å; I345-F348 HydrophobicContact CB-CE2 3.71Å; I345-F348 HydrophobicContact CD1-CE2 4.36Å; I345-F348 HydrophobicContact CG2-CD2 3.63Å; I345-F348 HydrophobicContact CG2-CE2 3.29Å; I345-F348 HydrophobicContact CG2-CZ 4.45Å; I345-R414 HydrophobicContact CD1-CG 4.35Å; I345-I417 HydrophobicContact CG2-CG2 3.87Å; I345-E418 HydrophobicContact CD1-CG 3.57Å
346	A	37.5	Very low	38	Very low	22 Å²	22	81.3 Å²	81.3	18%	0.182	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	148.7	176.8	0	0	0	0	0	111.4	F348 S426 V428 R443	A346-F348 VanDerWaalsContact C-N 3.33Å; A346-F348 PolarHBondContact O-N 2.94Å; A346-S426 WeakPolarHBondContact O-CB 3.28Å; A346-V428 HydrophobicContact CB-CG2 3.92Å; A346-R443 WeakPolarHBondContact CB-O 3.27Å
347	G	45.4	Very low	38.7	Very low	12 Å²	12	81 Å²	81	12%	0.124	40%	0.403	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.7	-0.6	170.1	0	0	0	0	0	116.8	R349 R413	G347-R349 PolarHBondContact O-N 3.07Å; G347-R349 VanDerWaalsContact O-N 3.09Å; G347-R413 VanDerWaalsContact O-CZ 3.27Å; G347-R413 PolarHBondContact O-NH1 3.41Å; G347-R413 PolarHBondContact O-NH2 3.05Å; G347-R413 VanDerWaalsContact O-NH2 3.13Å
348	F	48.4	Very low	39	Very low	32 Å²	32	82.3 Å²	82.3	14%	0.14	40%	0.4	C	S	.	.			trans	-73.3	101.5	172.2	-80.9	-88	0	0	0	111.2	I345 A346 R350 N410 R413 R414 I417	I345-F348 HydrophobicContact CB-CD2 3.61Å; I345-F348 HydrophobicContact CB-CE2 3.71Å; I345-F348 HydrophobicContact CD1-CE2 4.36Å; I345-F348 HydrophobicContact CG2-CD2 3.63Å; I345-F348 HydrophobicContact CG2-CE2 3.29Å; I345-F348 HydrophobicContact CG2-CZ 4.45Å; A346-F348 VanDerWaalsContact C-N 3.33Å; A346-F348 PolarHBondContact O-N 2.94Å; F348-R350 PolarHBondContact O-N 3.49Å; F348-N410 VanDerWaalsContact CE1-O 3.32Å; F348-N410 WeakPolarHBondContact CE1-O 3.5Å; F348-R413 HydrophobicContact CE1-CB 4.1Å; F348-R413 HydrophobicContact CE1-CG 4.11Å; F348-R413 HydrophobicContact CZ-CB 4.24Å; F348-R413 HydrophobicContact CZ-CG 3.82Å; F348-R414 HydrophobicContact CD1-CB 4.08Å; F348-R414 HydrophobicContact CD1-CG 4.34Å; F348-R414 HydrophobicContact CE1-CB 3.31Å; F348-R414 HydrophobicContact CE1-CG 3.87Å; F348-R414 HydrophobicContact CZ-CB 3.75Å; F348-R414 HydrophobicContact CZ-CG 4.12Å; F348-I417 HydrophobicContact CE2-CD1 3.9Å; F348-I417 HydrophobicContact CZ-CD1 3.96Å
349	R	58.6	Low	39.6	Very low	10 Å²	10	82.5 Å²	82.5	4%	0.038	39%	0.39	C	S	.	.			trans	-49.7	94.9	-177.6	-68.9	-162.2	-168.4	-136.6	17.9	114.3	G347 M352 R353 E464 D493	G347-R349 PolarHBondContact O-N 3.07Å; G347-R349 VanDerWaalsContact O-N 3.09Å; R349-M352 HydrophobicContact CG-CB 4.47Å; R349-R353 HydrophobicContact CB-CG 4.46Å; R349-R353 PolarHBondContact O-NE 2.88Å; R349-E464 IonicContact CZ-OE1 2.66Å; R349-E464 IonicContact CZ-OE2 3.6Å; R349-E464 IonicContact NE-OE1 3.44Å; R349-E464 VanDerWaalsContact NH1-CD 3.32Å; R349-E464 IonicContact NH1-OE1 3.94Å; R349-E464 PolarHBondContact NH1-OE1 2.94Å; R349-E464 IonicContact NH1-OE2 3.39Å; R349-E464 PolarHBondContact NH1-OE2 3.44Å; R349-E464 IonicContact NH2-OE1 3.35Å; R349-E464 PolarHBondContact NH2-OE1 2.7Å; R349-E464 IonicContact NH2-OE2 2.75Å; R349-E464 PolarHBondContact NH2-OE2 2.83Å; R349-D493 VanDerWaalsContact CD-CG 3.49Å; R349-D493 WeakPolarHBondContact CD-OD1 3.38Å; R349-D493 WeakPolarHBondContact CD-OD2 3.33Å; R349-D493 WeakPolarHBondContact CG-OD2 3.27Å; R349-D493 IonicContact CZ-OD1 3.13Å; R349-D493 IonicContact CZ-OD2 3.83Å; R349-D493 IonicContact NE-OD1 2.8Å; R349-D493 PolarHBondContact NE-OD1 3.3Å; R349-D493 IonicContact NE-OD2 2.83Å; R349-D493 PolarHBondContact NE-OD2 2.79Å; R349-D493 PolarHBondContact NH2-O 3.48Å; R349-D493 IonicContact NH2-OD1 3.4Å
350	R	46.1	Very low	40.1	Very low	125 Å²	125	80.2 Å²	80.2	47%	0.472	39%	0.386	S	S	.	.	S	Bend	trans	-99.9	-48.4	167.7	-73.2	-176.6	-173.7	-132.2	11.3	111.9	F348 L354 D534	F348-R350 PolarHBondContact O-N 3.49Å; R350-L354 WeakPolarHBondContact O-CD1 3.37Å; R350-D534 WeakPolarHBondContact CB-OD2 3.49Å; R350-D534 WeakPolarHBondContact CD-OD1 3.16Å; R350-D534 IonicContact CZ-OD1 3.87Å; R350-D534 IonicContact NE-OD1 3.43Å; R350-D534 IonicContact NH1-OD1 3.78Å; R350-D534 PolarHBondContact NH1-OD1 3.01Å
351	S	43.3	Very low	40.4	Very low	9 Å²	9	80.9 Å²	80.9	6%	0.063	37%	0.372	C	S	.	.	S	Bend	trans	-77.4	-40	-178.1	50	0	0	0	0	114.5	R353 L354 C355 Y445 Y473	S351-R353 VanDerWaalsContact C-N 3.27Å; S351-R353 PolarHBondContact O-N 3.2Å; S351-L354 PolarHBondContact O-N 3.22Å; S351-C355 PolarHBondContact O-N 3.42Å; S351-Y445 PolarHBondContact OG-OH 3.29Å; S351-Y473 VanDerWaalsContact CB-CE1 3.49Å; S351-Y473 WeakPolarHBondContact OG-CD1 3.36Å; S351-Y473 WeakPolarHBondContact OG-CE1 3.46Å
352	M	45.3	Very low	40.4	Very low	15 Å²	15	78.2 Å²	78.2	7%	0.074	37%	0.371	C	S	.	.	H	α-helix	trans	-64.1	-27.7	-179.1	-68.6	-68.1	-82.2	0	0	113.3	R349 L354 C355 R356 Y473	R349-M352 HydrophobicContact CG-CB 4.47Å; M352-L354 PolarHBondContact O-N 2.93Å; M352-C355 WeakPolarHBondContact O-CB 3.31Å; M352-C355 PolarHBondContact O-N 3.15Å; M352-R356 VanDerWaalsContact O-CG 3.27Å; M352-R356 WeakPolarHBondContact O-CG 3.38Å; M352-R356 PolarHBondContact O-N 2.88Å; M352-Y473 WeakPolarHBondContact SD-CB 3.43Å
353	R	45.5	Very low	40.5	Very low	84 Å²	84	74.2 Å²	74.2	32%	0.317	36%	0.364	S	S	.	.	H	α-helix	trans	-63.9	-26.8	173.6	-69.1	-170.1	-151.2	174	7.7	113.5	R349 S351 R356 R357 N410 I532	R349-R353 HydrophobicContact CB-CG 4.46Å; R349-R353 PolarHBondContact O-NE 2.88Å; S351-R353 VanDerWaalsContact C-N 3.27Å; S351-R353 PolarHBondContact O-N 3.2Å; R353-R356 WeakPolarHBondContact O-CB 3.49Å; R353-R356 PolarHBondContact O-N 3.19Å; R353-R357 PolarHBondContact O-N 2.89Å; R353-N410 PolarHBondContact NE-ND2 2.86Å; R353-N410 VanDerWaalsContact NE-ND2 3.18Å; R353-N410 PolarHBondContact NH2-ND2 3.46Å; R353-N410 VanDerWaalsContact NH2-ND2 3.15Å; R353-I532 PolarHBondContact NH1-O 3.46Å
354	L	39.5	Very low	40.6	Very low	38 Å²	38	72.8 Å²	72.8	20%	0.199	36%	0.364	C	S	.	.	H	α-helix	trans	-94.8	-18.1	-175.5	-60.6	145.1	0	0	0	111.1	R350 S351 M352 Y468 Y535	R350-L354 WeakPolarHBondContact O-CD1 3.37Å; S351-L354 PolarHBondContact O-N 3.22Å; M352-L354 PolarHBondContact O-N 2.93Å; L354-Y468 HydrophobicContact CB-CD1 4.27Å; L354-Y468 HydrophobicContact CB-CD2 3.26Å; L354-Y468 HydrophobicContact CB-CE1 4Å; L354-Y468 HydrophobicContact CB-CE2 2.98Å; L354-Y468 HydrophobicContact CB-CG 3.92Å; L354-Y468 HydrophobicContact CD1-CD1 4.43Å; L354-Y468 HydrophobicContact CD1-CE1 3.62Å; L354-Y468 HydrophobicContact CD1-CE2 4.01Å; L354-Y468 VanDerWaalsContact CD1-OH 3.29Å; L354-Y468 WeakPolarHBondContact CD1-OH 3.34Å; L354-Y468 HydrophobicContact CD2-CE2 4.37Å; L354-Y468 HydrophobicContact CG-CE1 4.41Å; L354-Y468 HydrophobicContact CG-CE2 3.93Å; L354-Y535 HydrophobicContact CD1-CE2 4Å; L354-Y535 HydrophobicContact CD2-CE2 4.14Å
355	C	40.9	Very low	40.4	Very low	15 Å²	15	76.3 Å²	76.3	10%	0.101	38%	0.382	C	S	.	.	H	α-helix	trans	-60.6	-49.8	153.1	-42	0	0	0	0	109.7	S351 M352 R357 K358 S359 E467 Y468	S351-C355 PolarHBondContact O-N 3.42Å; M352-C355 WeakPolarHBondContact O-CB 3.31Å; M352-C355 PolarHBondContact O-N 3.15Å; C355-R357 VanDerWaalsContact C-N 3.35Å; C355-R357 PolarHBondContact O-N 3.32Å; C355-K358 PolarHBondContact O-N 3.45Å; C355-S359 PolarHBondContact O-N 3.08Å; C355-S359 VanDerWaalsContact O-N 3.09Å; C355-E467 WeakPolarHBondContact CB-O 3.47Å; C355-E467 PolarHBondContact SG-O 2.96Å; C355-Y468 WeakPolarHBondContact SG-CB 3.47Å
356	R	43.9	Very low	39.9	Very low	68 Å²	68	78.1 Å²	78.1	26%	0.257	40%	0.404	S	S	.	.	H	α-helix	trans	-58.3	-33.8	-175.6	-75.7	172.3	-178.6	-163.5	-10.7	115.4	M352 R353 S359 E495	M352-R356 VanDerWaalsContact O-CG 3.27Å; M352-R356 WeakPolarHBondContact O-CG 3.38Å; M352-R356 PolarHBondContact O-N 2.88Å; R353-R356 WeakPolarHBondContact O-CB 3.49Å; R353-R356 PolarHBondContact O-N 3.19Å; R356-S359 PolarHBondContact O-OG 3.33Å; R356-E495 WeakPolarHBondContact CD-OE1 3.41Å; R356-E495 WeakPolarHBondContact CG-OE1 3.38Å; R356-E495 IonicContact CZ-OE1 2.72Å; R356-E495 IonicContact NE-OE1 3.88Å; R356-E495 PolarHBondContact NE-OE1 3.26Å; R356-E495 IonicContact NH2-OE1 3.37Å
357	R	38.9	Very low	39.8	Very low	158 Å²	158	82.7 Å²	82.7	60%	0.596	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-18	175.2	-85.8	-174.9	171.8	177.7	-3.7	113.6	R353 C355	R353-R357 PolarHBondContact O-N 2.89Å; C355-R357 VanDerWaalsContact C-N 3.35Å; C355-R357 PolarHBondContact O-N 3.32Å
358	K	36	Very low	39	Very low	130 Å²	130	87.9 Å²	87.9	57%	0.565	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	-12.1	-178.4	-79	-171	172.4	-168.9	0	113.9	C355 H360 L361	C355-K358 PolarHBondContact O-N 3.45Å; K358-H360 PolarHBondContact O-N 3.41Å; K358-H360 VanDerWaalsContact O-N 3.1Å; K358-L361 WeakPolarHBondContact O-CB 3.4Å; K358-L361 PolarHBondContact O-N 3.31Å
359	S	37.5	Very low	37.9	Very low	80 Å²	80	90.5 Å²	90.5	56%	0.559	49%	0.485	S	S	*	.	G	3₁₀ helix	trans	-68.2	-4.6	-179.6	55.6	0	0	0	0	114.6	C355 R356 L361	C355-S359 PolarHBondContact O-N 3.08Å; C355-S359 VanDerWaalsContact O-N 3.09Å; R356-S359 PolarHBondContact O-OG 3.33Å; S359-L361 PolarHBondContact O-N 2.84Å
360	H	40	Very low	36.4	Very low	151 Å²	151	93 Å²	93	70%	0.699	50%	0.503	S	S	*	.	G	3₁₀ helix	trans	-73.3	-2.2	166.1	-69.4	-59.6	0	0	0	113.9	K358	K358-H360 PolarHBondContact O-N 3.41Å; K358-H360 VanDerWaalsContact O-N 3.1Å
361	L	34.3	Very low	35.6	Very low	85 Å²	85	94.1 Å²	94.1	45%	0.445	52%	0.524	S	S	.	.	G	3₁₀ helix	trans	-124.5	16.7	-166.4	-63.8	177.2	0	0	0	116	S329 K358 S359	S329-L361 WeakPolarHBondContact OG-CD1 3.28Å; S329-L361 WeakPolarHBondContact OG-CD2 3.31Å; K358-L361 WeakPolarHBondContact O-CB 3.4Å; K358-L361 PolarHBondContact O-N 3.31Å; S359-L361 PolarHBondContact O-N 2.84Å
362	S	30.9	Very low	34.9	Very low	95 Å²	95	96.3 Å²	96.3	66%	0.664	55%	0.548	S	S	*	.			trans	-145.1	118.6	174.6	-75.3	0	0	0	0	113.2	L364	S362-L364 PolarHBondContact O-N 2.85Å
363	P	32.8	Very low	34.2	Very low	111 Å²	111	101.3 Å²	101.3	72%	0.721	59%	0.585	S	S	*	*			trans	-76.9	5.9	179.7	-11.8	27.8	0	0	0	115.3	H365	P363-H365 PolarHBondContact O-N 3.16Å
364	L	29.4	Very low	33.4	Very low	148 Å²	148	101 Å²	101	78%	0.775	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.1	17	-161.8	-85.9	162.5	0	0	0	116.2	S362	S362-L364 PolarHBondContact O-N 2.85Å
365	H	33.8	Very low	33.1	Very low	163 Å²	163	107.6 Å²	107.6	76%	0.755	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-142.9	37.9	173.9	-87	-76.3	0	0	0	113.8	P363	P363-H365 PolarHBondContact O-N 3.16Å
366	A	29.7	Very low	33.1	Very low	90 Å²	90	111.7 Å²	111.7	74%	0.744	65%	0.647	S	S	*	*	S	Bend	trans	-86.3	119	153.3	0	0	0	0	0	108.1
367	S	35.3	Very low	32.9	Very low	118 Å²	118	110.1 Å²	110.1	83%	0.825	65%	0.648	S	S	*	*	S	Bend	trans	71	61.4	162.8	177.2	0	0	0	0	117.7
368	V	28	Very low	33.4	Very low	121 Å²	121	106.9 Å²	106.9	73%	0.733	65%	0.646	S	S	*	*			trans	-135.8	125.9	147.9	-173.3	0	0	0	0	108.5
369	C	27.1	Very low	34.5	Very low	87 Å²	87	102.8 Å²	102.8	59%	0.588	64%	0.64	S	S	*	*	S	Bend	trans	87.9	85.8	176.6	-59.6	0	0	0	0	118.2
370	C	25.5	Very low	36.6	Very low	61 Å²	61	99.7 Å²	99.7	41%	0.412	62%	0.62	S	S	.	*			trans	-157.7	48.8	132.8	-90.4	0	0	0	0	109.8	G372 Y375	C370-G372 PolarHBondContact O-N 3.46Å; C370-G372 VanDerWaalsContact O-N 3.12Å; C370-Y375 HydrophobicContact CB-CE2 4.24Å; C370-Y375 WeakPolarHBondContact O-CD2 3.37Å; C370-Y375 WeakPolarHBondContact O-CE2 3.39Å
371	T	29.6	Very low	38.9	Very low	149 Å²	149	92.5 Å²	92.5	91%	0.914	59%	0.587	S	S	*	*			trans	-79.3	93.1	171.3	48.2	0	0	0	0	109.3
372	G	29.6	Very low	41.7	Very low	55 Å²	55	89.2 Å²	89.2	57%	0.567	57%	0.568	S	S	*	*	S	Bend	trans	131.7	111.3	168	0	0	0	0	0	113.1	C370 C374	C370-G372 PolarHBondContact O-N 3.46Å; C370-G372 VanDerWaalsContact O-N 3.12Å; G372-C374 PolarHBondContact O-N 3.41Å
373	S	31.1	Very low	44.7	Very low	120 Å²	120	85.7 Å²	85.7	84%	0.839	54%	0.541	S	S	*	.	S	Bend	trans	85.8	-22.2	165.9	-151.6	0	0	0	0	120.2
374	C	27.1	Very low	47.6	Very low	78 Å²	78	85.6 Å²	85.6	53%	0.527	53%	0.531	S	S	.	.			trans	-97.4	-9.3	-174.1	-42.3	0	0	0	0	115.5	G372 S376	G372-C374 PolarHBondContact O-N 3.41Å; C374-S376 PolarHBondContact O-N 2.93Å
375	Y	33.5	Very low	50.7	Low	177 Å²	177	78.6 Å²	78.6	69%	0.694	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-11.6	-175.3	-92.2	-85.2	0	0	0	114.6	C370 A377	C370-Y375 HydrophobicContact CB-CE2 4.24Å; C370-Y375 WeakPolarHBondContact O-CD2 3.37Å; C370-Y375 WeakPolarHBondContact O-CE2 3.39Å; Y375-A377 PolarHBondContact O-N 3.46Å
376	S	40.5	Very low	53.6	Low	100 Å²	100	73.1 Å²	73.1	70%	0.699	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-29.5	-170.4	-62.4	0	0	0	0	114.2	C374 A380	C374-S376 PolarHBondContact O-N 2.93Å; S376-A380 WeakPolarHBondContact O-CB 3.48Å
377	A	40.1	Very low	56.7	Low	35 Å²	35	75.2 Å²	75.2	29%	0.289	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-27.9	-175.3	0	0	0	0	0	114.2	Y375	Y375-A377 PolarHBondContact O-N 3.46Å
378	V	48.9	Very low	59.5	Low	91 Å²	91	71.1 Å²	71.1	55%	0.552	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-23.2	-174.8	-169.4	0	0	0	0	112.1	Q500	V378-Q500 HydrophobicContact CG2-CG 3.84Å
379	G	60.4	Low	62.6	Low	43 Å²	43	70.8 Å²	70.8	44%	0.443	42%	0.418	S	S	.	.	S	Bend	trans	-97	-5	177.4	0	0	0	0	0	114.9
380	A	80.9	Confident	65.7	Low	15 Å²	15	68.1 Å²	68.1	12%	0.124	40%	0.396	C	S	.	.			trans	-87.8	128.3	-179.8	0	0	0	0	0	110.3	M250 S376 Y382	M250-A380 WeakPolarHBondContact CB-O 3.39Å; M250-A380 WeakPolarHBondContact CG-O 3.47Å; S376-A380 WeakPolarHBondContact O-CB 3.48Å; A380-Y382 WeakPolarHBondContact CB-O 3.46Å; A380-Y382 PolarHBondContact O-N 3.31Å
381	P	89.1	Confident	68.9	Low	1 Å²	1	73.6 Å²	73.6	1%	0.006	41%	0.408	C	S	.	.	S	Bend	trans	-65.2	-21.7	176.2	25.9	-35.8	0	0	0	113.5	M250 T251 N305 L308 K309	M250-P381 WeakPolarHBondContact CB-O 3.42Å; M250-P381 PolarHBondContact N-O 2.92Å; T251-P381 HydrophobicContact CG2-CB 3.88Å; N305-P381 WeakPolarHBondContact OD1-CD 3.46Å; N305-P381 WeakPolarHBondContact OD1-CG 3.25Å; L308-P381 HydrophobicContact CB-CB 3.7Å; L308-P381 HydrophobicContact CB-CG 3.69Å; L308-P381 HydrophobicContact CD1-CB 3.53Å; L308-P381 HydrophobicContact CD1-CG 4.08Å; L308-P381 HydrophobicContact CG-CB 4.24Å; K309-P381 HydrophobicContact CG-CG 4.4Å
382	Y	93	Very high	71.7	Confident	16 Å²	16	72.1 Å²	72.1	6%	0.063	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	135.4	176.9	-61.3	-63.2	0	0	0	109.9	V247 R248 F270 L276 W287 P303 N305 L308 A380	V247-Y382 HydrophobicContact CB-CD1 4.44Å; V247-Y382 HydrophobicContact CG2-CD1 3.76Å; V247-Y382 HydrophobicContact CG2-CE1 4.45Å; V247-Y382 HydrophobicContact CG2-CG 4.18Å; R248-Y382 WeakPolarHBondContact O-CA 3.08Å; F270-Y382 HydrophobicContact CE1-CE1 4.4Å; F270-Y382 WeakPolarHBondContact CE1-OH 3.39Å; F270-Y382 HydrophobicContact CE2-CE1 4.16Å; F270-Y382 AromaticContact CZ-CE1 3.83Å; F270-Y382 HydrophobicContact CZ-CE1 3.83Å; F270-Y382 AromaticContact CZ-CZ 3.86Å; F270-Y382 WeakPolarHBondContact CZ-OH 3.44Å; L276-Y382 HydrophobicContact CD1-CE1 3.93Å; W287-Y382 HydrophobicContact CE3-CE2 4.4Å; W287-Y382 AromaticContact CZ3-CD2 3.96Å; W287-Y382 HydrophobicContact CZ3-CD2 3.96Å; W287-Y382 HydrophobicContact CZ3-CE2 4.19Å; P303-Y382 VanDerWaalsContact O-CE2 3.29Å; P303-Y382 WeakPolarHBondContact O-CE2 3.49Å; P303-Y382 PolarHBondContact O-OH 3.08Å; N305-Y382 HydrophobicContact CB-CD2 4.4Å; L308-Y382 HydrophobicContact CD1-CD2 4.46Å; L308-Y382 HydrophobicContact CD1-CE2 3.59Å; A380-Y382 WeakPolarHBondContact CB-O 3.46Å; A380-Y382 PolarHBondContact O-N 3.31Å
383	E	93.1	Very high	74.6	Confident	20 Å²	20	74.5 Å²	74.5	9%	0.093	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	122.8	170.4	177.7	179.7	-119.5	0	0	108.8	V247 R248 M250 V385 R503 P595	V247-E383 CarbonylContact C-O 3.54Å; V247-E383 VanDerWaalsContact CA-O 3.26Å; V247-E383 WeakPolarHBondContact CA-O 3.21Å; R248-E383 HydrophobicContact CB-CB 4.43Å; R248-E383 IonicContact CZ-OE2 3.54Å; R248-E383 PolarHBondContact N-O 3.42Å; R248-E383 IonicContact NH1-OE2 3.82Å; R248-E383 PolarHBondContact NH1-OE2 3.19Å; R248-E383 PolarHBondContact O-N 3.28Å; M250-E383 HydrophobicContact CG-CB 3.92Å; M250-E383 HydrophobicContact SD-CB 3.74Å; E383-V385 PolarHBondContact O-N 3.03Å; E383-R503 IonicContact OE1-CZ 3.49Å; E383-R503 IonicContact OE1-NH2 2.59Å; E383-R503 PolarHBondContact OE1-NH2 3.32Å; E383-R503 IonicContact OE2-NH2 2.75Å; E383-R503 PolarHBondContact OE2-NH2 3.37Å; E383-P595 HydrophobicContact CG-CB 4.49Å
384	E	94.1	Very high	77.4	Confident	109 Å²	109	71.7 Å²	71.7	51%	0.509	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	134	176.9	-167.5	-179	160.2	0	0	111.1	V245 P595 A596	V245-E384 HydrophobicContact CG1-CG 3.75Å; E384-P595 WeakPolarHBondContact O-CA 3.28Å; E384-A596 HydrophobicContact CB-CB 4.11Å; E384-A596 HydrophobicContact CG-CB 3.85Å; E384-A596 PolarHBondContact O-N 3.37Å
385	V	94.9	Very high	80.5	Confident	1 Å²	1	74.2 Å²	74.2	1%	0.006	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	151.8	-176.3	-65.8	0	0	0	0	112.1	Y246 R248 I275 E383 W593 V594	Y246-V385 WeakPolarHBondContact CB-O 3.2Å; Y246-V385 PolarHBondContact O-N 3.15Å; R248-V385 HydrophobicContact CB-CG1 3.78Å; I275-V385 HydrophobicContact CD1-CG2 4.41Å; I275-V385 HydrophobicContact CG2-CG2 3.96Å; E383-V385 PolarHBondContact O-N 3.03Å; V385-W593 HydrophobicContact CB-CE3 4.12Å; V385-W593 HydrophobicContact CG2-CD2 4.34Å; V385-W593 HydrophobicContact CG2-CE3 3.65Å; V385-W593 HydrophobicContact CG2-CZ3 4.23Å; V385-V594 CarbonylContact C-O 3.59Å; V385-V594 WeakPolarHBondContact CA-O 3.29Å; V385-V594 WeakPolarHBondContact CB-O 3.48Å
386	V	94.8	Very high	83.5	Confident	48 Å²	48	68.4 Å²	68.4	29%	0.291	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	155.8	174.7	-62.4	0	0	0	0	110.2	Y388 V594 A596 I599	V386-Y388 PolarHBondContact O-N 3.49Å; V386-V594 HydrophobicContact CG2-CG2 4.05Å; V386-V594 PolarHBondContact N-O 3.27Å; V386-V594 PolarHBondContact O-N 3.43Å; V386-A596 HydrophobicContact CG1-CB 3.93Å; V386-I599 HydrophobicContact CG2-CB 4.4Å; V386-I599 HydrophobicContact CG2-CG1 3.79Å
387	R	93.6	Very high	86.1	Confident	134 Å²	134	63.8 Å²	63.8	51%	0.506	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	119.5	170.4	-79.4	-68.1	-170.1	139.2	5.2	109.4	P591 Q592 W593	R387-P591 PolarHBondContact NH1-O 3.3Å; R387-Q592 WeakPolarHBondContact CA-O 3.15Å; R387-W593 HydrophobicContact CG-CD2 4.22Å; R387-W593 HydrophobicContact CG-CE3 4.08Å; R387-W593 HydrophobicContact CG-CH2 3.72Å; R387-W593 HydrophobicContact CG-CZ2 3.82Å; R387-W593 HydrophobicContact CG-CZ3 3.86Å
388	Y	93.9	Very high	88.8	Confident	32 Å²	32	62.1 Å²	62.1	13%	0.125	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	128.2	174.5	171	-105.2	0	0	0	110.2	V386 R390 R397 K508 P591 Q592 V594 I599	V386-Y388 PolarHBondContact O-N 3.49Å; Y388-R390 HydrophobicContact CE1-CB 4.19Å; Y388-R397 HydrophobicContact CE1-CG 4.32Å; Y388-K508 HydrophobicContact CD1-CD 4.47Å; Y388-K508 HydrophobicContact CE1-CD 3.86Å; Y388-K508 HydrophobicContact CE2-CD 4.31Å; Y388-P591 CarbonylContact O-C 3.54Å; Y388-P591 WeakPolarHBondContact O-CA 3.15Å; Y388-Q592 PolarHBondContact N-O 2.91Å; Y388-Q592 PolarHBondContact O-N 3.43Å; Y388-V594 HydrophobicContact CD1-CG1 4.09Å; Y388-V594 HydrophobicContact CG-CG1 4.39Å; Y388-V594 HydrophobicContact CG-CG2 4.11Å; Y388-I599 HydrophobicContact CD2-CD1 3.41Å; Y388-I599 VanDerWaalsContact CD2-CD1 3.41Å; Y388-I599 HydrophobicContact CE2-CD1 3.92Å; Y388-I599 HydrophobicContact CG-CD1 4.03Å
389	Q	94.6	Very high	91.1	Very high	115 Å²	115	57.8 Å²	57.8	54%	0.537	29%	0.291	S	S	.	.			trans	-119.3	122.8	169.5	-171.7	176	7.6	0	0	107.9	R391 E589 P591	Q389-R391 PolarHBondContact O-N 3.37Å; Q389-E589 PolarHBondContact NE2-O 2.91Å; Q389-P591 HydrophobicContact CB-CB 4.17Å
390	R	92.6	Very high	92.9	Very high	30 Å²	30	55.8 Å²	55.8	11%	0.113	27%	0.27	C	S	.	.			trans	-63.7	131.1	177.4	-172.5	-158.2	69.9	93.7	-1.4	109	Y388 P392 D394 K395 Q588	Y388-R390 HydrophobicContact CE1-CB 4.19Å; R390-P392 PolarHBondContact NH1-O 3.49Å; R390-D394 HydrophobicContact CG-CB 4.03Å; R390-D394 PolarHBondContact NH1-O 3.45Å; R390-K395 WeakPolarHBondContact CD-O 3.22Å; R390-Q588 PolarHBondContact NE-O 2.92Å
391	R	91.2	Very high	93.6	Very high	176 Å²	176	55 Å²	55	66%	0.664	26%	0.264	S	S	*	.			trans	-78.1	149	171.2	-58.1	177.3	176.1	175.1	0.7	109.5	Q389 S393 D394	Q389-R391 PolarHBondContact O-N 3.37Å; R391-S393 PolarHBondContact O-N 2.93Å; R391-S393 VanDerWaalsContact O-N 3.07Å; R391-D394 VanDerWaalsContact CB-OD2 3.3Å; R391-D394 WeakPolarHBondContact CB-OD2 3.4Å; R391-D394 PolarHBondContact N-OD2 2.91Å; R391-D394 VanDerWaalsContact N-OD2 3.13Å; R391-D394 WeakPolarHBondContact O-CB 3.22Å; R391-D394 PolarHBondContact O-N 3.49Å
392	P	88.8	Confident	93.8	Very high	119 Å²	119	55 Å²	55	77%	0.773	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	-32.2	178.6	-29.4	36.5	0	0	0	114.8	R390 D394	R390-P392 PolarHBondContact NH1-O 3.49Å; P392-D394 VanDerWaalsContact C-N 3.34Å
393	S	89.6	Confident	93.7	Very high	105 Å²	105	55.1 Å²	55.1	73%	0.734	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-22.8	176.6	51.5	0	0	0	0	114.9	R391	R391-S393 PolarHBondContact O-N 2.93Å; R391-S393 VanDerWaalsContact O-N 3.07Å
394	D	90.8	Very high	93.4	Very high	60 Å²	60	54.4 Å²	54.4	32%	0.321	27%	0.267	S	S	.	.	S	Bend	trans	-82.9	155.6	-172.5	-54	-18.7	0	0	0	110.2	R390 R391 P392	R390-D394 HydrophobicContact CG-CB 4.03Å; R390-D394 PolarHBondContact NH1-O 3.45Å; R391-D394 VanDerWaalsContact CB-OD2 3.3Å; R391-D394 WeakPolarHBondContact CB-OD2 3.4Å; R391-D394 PolarHBondContact N-OD2 2.91Å; R391-D394 VanDerWaalsContact N-OD2 3.13Å; R391-D394 WeakPolarHBondContact O-CB 3.22Å; R391-D394 PolarHBondContact O-N 3.49Å; P392-D394 VanDerWaalsContact C-N 3.34Å
395	K	92.6	Very high	92.8	Very high	131 Å²	131	53.2 Å²	53.2	57%	0.57	27%	0.27	S	S	*	.	P	Polyproline II helix	trans	-56.6	146.6	174.2	-63.1	178.3	-174.1	174.4	0	110.6	R390	R390-K395 WeakPolarHBondContact CD-O 3.22Å
396	Y	95.8	Very high	92	Very high	55 Å²	55	54.8 Å²	54.8	22%	0.216	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-60.2	147.1	173.6	-72.5	-67.2	0	0	0	111	H423 L484 G487 I489 Q588	Y396-H423 AromaticContact CZ-CE1 3.82Å; Y396-H423 PolarHBondContact OH-CE1 3.25Å; Y396-L484 WeakPolarHBondContact O-CD2 3.23Å; Y396-G487 VanDerWaalsContact CE2-O 3.26Å; Y396-G487 WeakPolarHBondContact CE2-O 3.15Å; Y396-I489 HydrophobicContact CD1-CD1 4.11Å; Y396-I489 HydrophobicContact CD1-CG1 3.7Å; Y396-I489 HydrophobicContact CD2-CG1 3.92Å; Y396-I489 HydrophobicContact CE1-CD1 4.27Å; Y396-I489 HydrophobicContact CE1-CG1 4.12Å; Y396-I489 HydrophobicContact CE2-CG1 4.32Å; Y396-I489 HydrophobicContact CG-CD1 4.48Å; Y396-I489 HydrophobicContact CG-CG1 3.59Å; Y396-Q588 HydrophobicContact CD1-CB 4.38Å; Y396-Q588 HydrophobicContact CD1-CG 4.05Å
397	R	96	Very high	91.6	Very high	4 Å²	4	52.5 Å²	52.5	2%	0.015	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-72	144.2	171.1	-63.3	176	66.3	-169.9	-0.7	110	Y388 I399 K508 P509 A587 Q588	Y388-R397 HydrophobicContact CE1-CG 4.32Å; R397-I399 PolarHBondContact O-N 3.35Å; R397-K508 WeakPolarHBondContact CB-O 3.37Å; R397-K508 HydrophobicContact CG-CB 4.34Å; R397-K508 PolarHBondContact NE-O 2.77Å; R397-K508 PolarHBondContact NH2-O 3.02Å; R397-P509 PolarHBondContact NH2-O 3.28Å; R397-A587 WeakPolarHBondContact CD-O 3.31Å; R397-A587 PolarHBondContact NH1-O 3.15Å; R397-A587 VanDerWaalsContact NH1-O 3.15Å; R397-Q588 PolarHBondContact O-NE2 2.9Å
398	L	96.6	Very high	91.3	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-63.8	128.8	173	174.1	62.2	0	0	0	110.7	V400 V480 C490 M492 V502 L507 P509 Y510	L398-V400 HydrophobicContact CD2-CG2 3.88Å; L398-V400 HydrophobicContact CG-CG2 3.85Å; L398-V480 HydrophobicContact CD1-CG1 3.78Å; L398-V480 HydrophobicContact CD2-CG1 4.22Å; L398-V480 HydrophobicContact CG-CG1 4.47Å; L398-C490 HydrophobicContact CD1-CB 3.88Å; L398-M492 HydrophobicContact CD1-CB 4.13Å; L398-V502 HydrophobicContact CD2-CB 4.35Å; L398-V502 HydrophobicContact CD2-CG1 4.44Å; L398-L507 HydrophobicContact CB-CB 4.4Å; L398-L507 HydrophobicContact CD2-CB 4.26Å; L398-L507 HydrophobicContact CD2-CD1 4.17Å; L398-L507 PolarHBondContact N-O 3.43Å; L398-L507 VanDerWaalsContact N-O 3.14Å; L398-P509 HydrophobicContact CB-CB 4.47Å; L398-P509 HydrophobicContact CD2-CB 4.4Å; L398-P509 CarbonylContact O-C 3.33Å; L398-P509 WeakPolarHBondContact O-CA 3.25Å; L398-Y510 PolarHBondContact O-N 3.12Å
399	I	97.9	Very high	91.1	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	117.6	171.6	-58.7	-57.6	0	0	0	109	R397 L401 I489 C490 V491 M492 Y510 I512 I584 A587	R397-I399 PolarHBondContact O-N 3.35Å; I399-L401 HydrophobicContact CG2-CD2 3.96Å; I399-I489 HydrophobicContact CB-CG2 4.42Å; I399-I489 HydrophobicContact CG1-CG2 3.52Å; I399-C490 PolarHBondContact N-O 3.04Å; I399-V491 HydrophobicContact CB-CG2 4.33Å; I399-V491 HydrophobicContact CG2-CG1 4.28Å; I399-M492 PolarHBondContact O-N 3.15Å; I399-Y510 HydrophobicContact CD1-CD1 4.44Å; I399-I512 HydrophobicContact CG2-CD1 4Å; I399-I584 HydrophobicContact CD1-CB 4.44Å; I399-I584 HydrophobicContact CD1-CG1 4.08Å; I399-I584 HydrophobicContact CD1-CG2 4.07Å; I399-I584 HydrophobicContact CG1-CD1 4.45Å; I399-I584 HydrophobicContact CG1-CG1 4.01Å; I399-I584 HydrophobicContact CG1-CG2 4.02Å; I399-I584 HydrophobicContact CG2-CD1 4.11Å; I399-I584 HydrophobicContact CG2-CG1 3.94Å; I399-A587 HydrophobicContact CD1-CB 4.01Å
400	V	96.7	Very high	90.6	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	123.1	179.4	-179.8	0	0	0	0	109.7	L398 M402 M492 L494 V502 P509 Y510 V511 I512	L398-V400 HydrophobicContact CD2-CG2 3.88Å; L398-V400 HydrophobicContact CG-CG2 3.85Å; V400-M402 HydrophobicContact CG1-CE 3.7Å; V400-M402 HydrophobicContact CG1-CG 4.2Å; V400-M492 CarbonylContact C-O 3.52Å; V400-M492 VanDerWaalsContact CA-O 3.25Å; V400-M492 WeakPolarHBondContact CA-O 3.25Å; V400-L494 HydrophobicContact CG1-CB 3.54Å; V400-L494 HydrophobicContact CG1-CD2 3.99Å; V400-L494 HydrophobicContact CG1-CG 4.43Å; V400-V502 HydrophobicContact CG2-CG2 4.39Å; V400-P509 HydrophobicContact CG2-CB 3.83Å; V400-Y510 PolarHBondContact N-O 3.45Å; V400-V511 HydrophobicContact CB-CG2 4.27Å; V400-V511 HydrophobicContact CG1-CG1 4.48Å; V400-I512 PolarHBondContact O-N 3.21Å
401	L	96.3	Very high	90.3	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	125.8	175.1	-51.9	-176.5	0	0	0	110.5	I399 V409 R413 V491 M492 D493 L494 I512 L580	I399-L401 HydrophobicContact CG2-CD2 3.96Å; L401-V409 HydrophobicContact CB-CG1 3.67Å; L401-V409 HydrophobicContact CD1-CG1 4.31Å; L401-R413 HydrophobicContact CD1-CB 4Å; L401-V491 HydrophobicContact CD1-CG1 3.87Å; L401-V491 HydrophobicContact CG-CG1 4.08Å; L401-M492 PolarHBondContact N-O 3.29Å; L401-D493 HydrophobicContact CB-CB 4.46Å; L401-D493 CarbonylContact O-C 3.48Å; L401-D493 WeakPolarHBondContact O-CA 3.44Å; L401-L494 PolarHBondContact O-N 2.77Å; L401-I512 HydrophobicContact CD2-CB 3.98Å; L401-I512 HydrophobicContact CD2-CD1 4.26Å; L401-I512 HydrophobicContact CD2-CG2 4.49Å; L401-L580 HydrophobicContact CD1-CD2 4.44Å; L401-L580 HydrophobicContact CD2-CD1 3.72Å
402	M	93.2	Very high	90.3	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.005	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	152.9	174.8	-65.2	-166.4	-172	0	0	110.6	V400 L494 I499 V511 I512 F513 I514 F564	V400-M402 HydrophobicContact CG1-CE 3.7Å; V400-M402 HydrophobicContact CG1-CG 4.2Å; M402-L494 HydrophobicContact CE-CB 4.05Å; M402-L494 HydrophobicContact CE-CD2 3.76Å; M402-L494 HydrophobicContact CE-CG 4.21Å; M402-I499 HydrophobicContact CE-CB 3.81Å; M402-I499 HydrophobicContact CE-CD1 3.41Å; M402-I499 VanDerWaalsContact CE-CD1 3.41Å; M402-I499 HydrophobicContact CE-CG1 3.5Å; M402-I499 HydrophobicContact SD-CD1 3.96Å; M402-V511 HydrophobicContact CE-CG1 3.9Å; M402-V511 HydrophobicContact CG-CG1 4.16Å; M402-V511 HydrophobicContact SD-CG1 3.96Å; M402-I512 PolarHBondContact N-O 2.79Å; M402-F513 HydrophobicContact CB-CD2 4.1Å; M402-F513 CarbonylContact O-C 3.59Å; M402-F513 WeakPolarHBondContact O-CA 3.33Å; M402-I514 PolarHBondContact O-N 3.5Å; M402-F564 HydrophobicContact SD-CE1 3.98Å
403	G	91.1	Very high	90.4	Very high	17 Å²	17	28.4 Å²	28.4	18%	0.175	17%	0.172	C	C	.	.			trans	167.3	160	176.7	0	0	0	0	0	111.9	I514	G403-I514 VanDerWaalsContact CA-O 3.22Å; G403-I514 WeakPolarHBondContact CA-O 3.43Å
404	P	87.6	Confident	90.3	Very high	6 Å²	6	27 Å²	27	4%	0.039	15%	0.151	C	C	.	.			trans	-65.9	156.9	-178.2	27.6	-33	0	0	0	111.2	G406 V407 I514 M549 L552 A553 M556	P404-G406 PolarHBondContact O-N 2.87Å; P404-V407 HydrophobicContact CG-CB 3.99Å; P404-V407 HydrophobicContact CG-CG1 4.48Å; P404-V407 HydrophobicContact CG-CG2 4.34Å; P404-V407 WeakPolarHBondContact O-CB 3.41Å; P404-V407 WeakPolarHBondContact O-CG1 3.31Å; P404-V407 PolarHBondContact O-N 2.74Å; P404-V407 VanDerWaalsContact O-N 3.13Å; P404-I514 WeakPolarHBondContact CD-O 3.49Å; P404-M549 HydrophobicContact CB-CG 4.08Å; P404-M549 HydrophobicContact CG-CG 3.8Å; P404-L552 HydrophobicContact CB-CB 3.71Å; P404-A553 HydrophobicContact CG-CB 3.97Å; P404-M556 HydrophobicContact CB-SD 4.18Å
405	S	80.9	Confident	90.3	Very high	83 Å²	83	26.7 Å²	26.7	58%	0.58	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.8	135.9	177.3	-177.5	0	0	0	0	110.7	V407	S405-V407 VanDerWaalsContact C-N 3.28Å; S405-V407 PolarHBondContact O-N 3.39Å
406	G	78.6	Confident	90.3	Very high	34 Å²	34	20.4 Å²	20.4	35%	0.351	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.4	-4.7	-179.3	0	0	0	0	0	115	P404 G408 R526	P404-G406 PolarHBondContact O-N 2.87Å; G406-G408 VanDerWaalsContact C-N 3.29Å; G406-G408 PolarHBondContact O-N 3.31Å; G406-R526 PolarHBondContact O-NH1 2.92Å
407	V	85.8	Confident	90.1	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.006	11%	0.112	C	C	.	.	S	Bend	trans	-67.3	-28.5	-179.5	77.9	0	0	0	0	113.3	P404 S405 V409 I514 P516 R526 M549 N570	P404-V407 HydrophobicContact CG-CB 3.99Å; P404-V407 HydrophobicContact CG-CG1 4.48Å; P404-V407 HydrophobicContact CG-CG2 4.34Å; P404-V407 WeakPolarHBondContact O-CB 3.41Å; P404-V407 WeakPolarHBondContact O-CG1 3.31Å; P404-V407 PolarHBondContact O-N 2.74Å; P404-V407 VanDerWaalsContact O-N 3.13Å; S405-V407 VanDerWaalsContact C-N 3.28Å; S405-V407 PolarHBondContact O-N 3.39Å; V407-V409 HydrophobicContact CG1-CB 4.49Å; V407-V409 HydrophobicContact CG1-CG2 3.62Å; V407-I514 HydrophobicContact CG1-CB 4.3Å; V407-I514 HydrophobicContact CG1-CG2 4.1Å; V407-I514 HydrophobicContact CG2-CG2 4.14Å; V407-P516 HydrophobicContact CG2-CB 4.45Å; V407-R526 PolarHBondContact O-NH2 2.84Å; V407-M549 HydrophobicContact CB-SD 4.16Å; V407-M549 HydrophobicContact CG2-SD 4.41Å; V407-N570 HydrophobicContact CG2-CB 4.45Å; V407-N570 PolarHBondContact O-ND2 3.22Å
408	G	87	Confident	89.8	Confident	19 Å²	19	22.5 Å²	22.5	20%	0.196	13%	0.132	C	C	.	.	S	Bend	trans	118.8	4.2	179.1	0	0	0	0	0	115.7	G406 N410 E411 L412	G406-G408 VanDerWaalsContact C-N 3.29Å; G406-G408 PolarHBondContact O-N 3.31Å; G408-N410 VanDerWaalsContact C-N 3.27Å; G408-N410 PolarHBondContact O-N 2.8Å; G408-N410 VanDerWaalsContact O-N 3.16Å; G408-E411 PolarHBondContact O-N 2.78Å; G408-L412 PolarHBondContact O-N 3.37Å
409	V	89.1	Confident	89.5	Confident	13 Å²	13	29.8 Å²	29.8	8%	0.079	16%	0.164	C	C	.	.	H	α-helix	trans	-45.7	-48.3	179.2	168.4	0	0	0	0	113.2	L401 V407 E411 L412 R413 D493 I514	L401-V409 HydrophobicContact CB-CG1 3.67Å; L401-V409 HydrophobicContact CD1-CG1 4.31Å; V407-V409 HydrophobicContact CG1-CB 4.49Å; V407-V409 HydrophobicContact CG1-CG2 3.62Å; V409-E411 PolarHBondContact O-N 2.88Å; V409-L412 PolarHBondContact O-N 2.8Å; V409-R413 PolarHBondContact O-N 2.92Å; V409-D493 HydrophobicContact CG1-CB 3.65Å; V409-I514 HydrophobicContact CG2-CB 3.95Å; V409-I514 HydrophobicContact CG2-CD1 3.93Å; V409-I514 HydrophobicContact CG2-CG1 4.15Å
410	N	85.1	Confident	89.2	Confident	20 Å²	20	32.3 Å²	32.3	11%	0.107	18%	0.177	C	C	.	.	H	α-helix	trans	-67.1	-36.8	-179.4	-81.4	-61.6	0	0	0	113	F348 R353 G408 R413 R414 D493	F348-N410 VanDerWaalsContact CE1-O 3.32Å; F348-N410 WeakPolarHBondContact CE1-O 3.5Å; R353-N410 PolarHBondContact NE-ND2 2.86Å; R353-N410 VanDerWaalsContact NE-ND2 3.18Å; R353-N410 PolarHBondContact NH2-ND2 3.46Å; R353-N410 VanDerWaalsContact NH2-ND2 3.15Å; G408-N410 VanDerWaalsContact C-N 3.27Å; G408-N410 PolarHBondContact O-N 2.8Å; G408-N410 VanDerWaalsContact O-N 3.16Å; N410-R413 PolarHBondContact OD1-NH2 3.23Å; N410-R414 WeakPolarHBondContact O-CB 3.45Å; N410-R414 PolarHBondContact O-N 3.47Å; N410-D493 PolarHBondContact OD1-OD2 3.03Å; N410-D493 VanDerWaalsContact OD1-OD2 3.13Å
411	E	85.8	Confident	89	Confident	41 Å²	41	36.3 Å²	36.3	19%	0.192	20%	0.203	C	C	.	.	H	α-helix	trans	-71.5	-39.9	179.9	-177.5	54.4	-157.9	0	0	110.7	G408 V409 R414 Q415 L573	G408-E411 PolarHBondContact O-N 2.78Å; V409-E411 PolarHBondContact O-N 2.88Å; E411-R414 WeakPolarHBondContact O-CB 3.38Å; E411-R414 PolarHBondContact O-N 2.94Å; E411-R414 VanDerWaalsContact O-N 3.15Å; E411-R414 IonicContact OE1-CZ 3.72Å; E411-R414 IonicContact OE1-NE 2.9Å; E411-R414 PolarHBondContact OE1-NE 2.95Å; E411-R414 IonicContact OE1-NH2 3.87Å; E411-R414 PolarHBondContact OE1-NH2 3.41Å; E411-R414 IonicContact OE2-CZ 2.72Å; E411-R414 IonicContact OE2-NE 3.71Å; E411-R414 PolarHBondContact OE2-NE 2.99Å; E411-R414 IonicContact OE2-NH2 2.75Å; E411-Q415 WeakPolarHBondContact O-CG 3.49Å; E411-Q415 PolarHBondContact O-N 3.21Å; E411-Q415 PolarHBondContact OE1-NE2 3.33Å; E411-L573 HydrophobicContact CB-CD2 4.28Å; E411-L573 HydrophobicContact CG-CD1 3.74Å; E411-L573 HydrophobicContact CG-CD2 4.04Å
412	L	90.7	Very high	88.8	Confident	1 Å²	1	40.6 Å²	40.6	1%	0.005	23%	0.233	C	C	.	.	H	α-helix	trans	-61.7	-45.7	174.2	-69.8	170.3	0	0	0	111.8	G408 V409 R414 Q415 L416 I514 L573 A576 C577 L580	G408-L412 PolarHBondContact O-N 3.37Å; V409-L412 PolarHBondContact O-N 2.8Å; L412-R414 VanDerWaalsContact C-N 3.26Å; L412-R414 PolarHBondContact O-N 3.3Å; L412-Q415 PolarHBondContact O-N 3.47Å; L412-L416 VanDerWaalsContact O-CB 3.28Å; L412-L416 WeakPolarHBondContact O-CB 3.16Å; L412-L416 PolarHBondContact O-N 2.94Å; L412-I514 HydrophobicContact CD1-CD1 3.5Å; L412-I514 HydrophobicContact CD1-CG2 4.03Å; L412-L573 HydrophobicContact CD2-CD2 4.09Å; L412-L573 WeakPolarHBondContact CD2-O 3.26Å; L412-L573 HydrophobicContact CG-CD2 4.14Å; L412-A576 HydrophobicContact CD1-CB 4.11Å; L412-A576 HydrophobicContact CD2-CB 3.86Å; L412-C577 HydrophobicContact CD2-CB 3.99Å; L412-L580 HydrophobicContact CB-CD2 4.07Å
413	R	91.1	Very high	88.8	Confident	5 Å²	5	43.3 Å²	43.3	2%	0.019	25%	0.246	C	C	.	.	H	α-helix	trans	-58.7	-39.5	173.5	-174.8	175	58.9	167.7	-18.8	112.1	G347 F348 L401 V409 N410 L416 I417 V491 D493	G347-R413 VanDerWaalsContact O-CZ 3.27Å; G347-R413 PolarHBondContact O-NH1 3.41Å; G347-R413 PolarHBondContact O-NH2 3.05Å; G347-R413 VanDerWaalsContact O-NH2 3.13Å; F348-R413 HydrophobicContact CE1-CB 4.1Å; F348-R413 HydrophobicContact CE1-CG 4.11Å; F348-R413 HydrophobicContact CZ-CB 4.24Å; F348-R413 HydrophobicContact CZ-CG 3.82Å; L401-R413 HydrophobicContact CD1-CB 4Å; V409-R413 PolarHBondContact O-N 2.92Å; N410-R413 PolarHBondContact OD1-NH2 3.23Å; R413-L416 PolarHBondContact O-N 2.91Å; R413-I417 HydrophobicContact CG-CD1 4Å; R413-I417 WeakPolarHBondContact O-CG1 3.43Å; R413-I417 PolarHBondContact O-N 2.93Å; R413-I417 VanDerWaalsContact O-N 3.11Å; R413-V491 HydrophobicContact CG-CB 4.39Å; R413-V491 HydrophobicContact CG-CG1 3.88Å; R413-D493 IonicContact CZ-OD1 3.73Å; R413-D493 IonicContact NE-OD1 3.68Å; R413-D493 IonicContact NH1-OD1 3.45Å; R413-D493 PolarHBondContact NH1-OD1 3.08Å; R413-D493 IonicContact NH2-OD1 2.95Å; R413-D493 PolarHBondContact NH2-OD1 3.25Å; R413-D493 IonicContact NH2-OD2 2.68Å; R413-D493 PolarHBondContact NH2-OD2 3.09Å
414	R	88.4	Confident	89	Confident	77 Å²	77	43 Å²	43	29%	0.291	24%	0.24	S	C	.	.	H	α-helix	trans	-64.2	-53.5	-179.5	-165.1	-173.5	65.2	77.2	11.7	110.6	I345 F348 N410 E411 L412 L416 I417 E418	I345-R414 HydrophobicContact CD1-CG 4.35Å; F348-R414 HydrophobicContact CD1-CB 4.08Å; F348-R414 HydrophobicContact CD1-CG 4.34Å; F348-R414 HydrophobicContact CE1-CB 3.31Å; F348-R414 HydrophobicContact CE1-CG 3.87Å; F348-R414 HydrophobicContact CZ-CB 3.75Å; F348-R414 HydrophobicContact CZ-CG 4.12Å; N410-R414 WeakPolarHBondContact O-CB 3.45Å; N410-R414 PolarHBondContact O-N 3.47Å; E411-R414 WeakPolarHBondContact O-CB 3.38Å; E411-R414 PolarHBondContact O-N 2.94Å; E411-R414 VanDerWaalsContact O-N 3.15Å; E411-R414 IonicContact OE1-CZ 3.72Å; E411-R414 IonicContact OE1-NE 2.9Å; E411-R414 PolarHBondContact OE1-NE 2.95Å; E411-R414 IonicContact OE1-NH2 3.87Å; E411-R414 PolarHBondContact OE1-NH2 3.41Å; E411-R414 IonicContact OE2-CZ 2.72Å; E411-R414 IonicContact OE2-NE 3.71Å; E411-R414 PolarHBondContact OE2-NE 2.99Å; E411-R414 IonicContact OE2-NH2 2.75Å; L412-R414 VanDerWaalsContact C-N 3.26Å; L412-R414 PolarHBondContact O-N 3.3Å; R414-L416 VanDerWaalsContact C-N 3.27Å; R414-L416 PolarHBondContact O-N 3.36Å; R414-I417 PolarHBondContact O-N 3.47Å; R414-E418 WeakPolarHBondContact CG-OE1 3.2Å; R414-E418 IonicContact CZ-OE1 3.86Å; R414-E418 IonicContact CZ-OE2 3.58Å; R414-E418 IonicContact NH1-OE1 2.8Å; R414-E418 PolarHBondContact NH1-OE1 3.34Å; R414-E418 IonicContact NH1-OE2 2.7Å; R414-E418 PolarHBondContact NH1-OE2 3.06Å; R414-E418 IonicContact NH2-OE2 3.69Å; R414-E418 WeakPolarHBondContact O-CB 3.17Å; R414-E418 WeakPolarHBondContact O-CG 3.36Å; R414-E418 PolarHBondContact O-N 3.5Å
415	Q	89.9	Confident	89.4	Confident	52 Å²	52	45 Å²	45	24%	0.243	25%	0.248	C	C	.	.	H	α-helix	trans	-60.4	-39.4	179.3	-69	-176.7	9.4	0	0	111.4	E411 L412 E418 F419	E411-Q415 WeakPolarHBondContact O-CG 3.49Å; E411-Q415 PolarHBondContact O-N 3.21Å; E411-Q415 PolarHBondContact OE1-NE2 3.33Å; L412-Q415 PolarHBondContact O-N 3.47Å; Q415-E418 PolarHBondContact O-N 3.42Å; Q415-F419 WeakPolarHBondContact O-CB 3.43Å; Q415-F419 PolarHBondContact O-N 2.98Å
416	L	92.4	Very high	89.9	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-61.2	-47.9	177.2	-178.4	66.6	0	0	0	112.7	L412 R413 R414 F419 N420 F424 V491 L580 L581 I584	L412-L416 VanDerWaalsContact O-CB 3.28Å; L412-L416 WeakPolarHBondContact O-CB 3.16Å; L412-L416 PolarHBondContact O-N 2.94Å; R413-L416 PolarHBondContact O-N 2.91Å; R414-L416 VanDerWaalsContact C-N 3.27Å; R414-L416 PolarHBondContact O-N 3.36Å; L416-F419 PolarHBondContact O-N 3.05Å; L416-N420 PolarHBondContact O-N 3.19Å; L416-F424 HydrophobicContact CD1-CD1 4.39Å; L416-F424 HydrophobicContact CD1-CD2 3.89Å; L416-F424 HydrophobicContact CD1-CE1 4.12Å; L416-F424 HydrophobicContact CD1-CE2 3.59Å; L416-F424 HydrophobicContact CD1-CG 4.29Å; L416-F424 HydrophobicContact CD1-CZ 3.72Å; L416-F424 HydrophobicContact CD2-CD1 4.08Å; L416-F424 HydrophobicContact CD2-CE1 4.28Å; L416-F424 HydrophobicContact CD2-CG 4.33Å; L416-F424 HydrophobicContact CG-CB 4.49Å; L416-F424 HydrophobicContact CG-CD1 4.12Å; L416-F424 HydrophobicContact CG-CD2 3.91Å; L416-F424 HydrophobicContact CG-CE1 4.32Å; L416-F424 HydrophobicContact CG-CE2 4.12Å; L416-F424 HydrophobicContact CG-CG 3.92Å; L416-F424 HydrophobicContact CG-CZ 4.33Å; L416-F424 WeakPolarHBondContact O-CD2 3.2Å; L416-V491 HydrophobicContact CD2-CG1 4.25Å; L416-V491 HydrophobicContact CD2-CG2 3.85Å; L416-L580 HydrophobicContact CD2-CD2 4.09Å; L416-L580 HydrophobicContact CD2-CG 4.44Å; L416-L581 HydrophobicContact CD1-CD2 3.34Å; L416-L581 HydrophobicContact CD1-CG 3.89Å; L416-I584 HydrophobicContact CD1-CD1 4.34Å; L416-I584 HydrophobicContact CD2-CD1 3.43Å; L416-I584 VanDerWaalsContact CD2-CD1 3.43Å
417	I	91.5	Very high	90.6	Very high	10 Å²	10	39.8 Å²	39.8	5%	0.051	21%	0.207	C	C	.	.	H	α-helix	trans	-70.3	-38.9	-179.8	-66.5	171	0	0	0	111.1	I345 F348 R413 R414 F419 N420 P421 F424 S426	I345-I417 HydrophobicContact CG2-CG2 3.87Å; F348-I417 HydrophobicContact CE2-CD1 3.9Å; F348-I417 HydrophobicContact CZ-CD1 3.96Å; R413-I417 HydrophobicContact CG-CD1 4Å; R413-I417 WeakPolarHBondContact O-CG1 3.43Å; R413-I417 PolarHBondContact O-N 2.93Å; R413-I417 VanDerWaalsContact O-N 3.11Å; R414-I417 PolarHBondContact O-N 3.47Å; I417-F419 VanDerWaalsContact C-N 3.32Å; I417-N420 CarbonylContact O-C 3.48Å; I417-N420 PolarHBondContact O-N 2.85Å; I417-P421 VanDerWaalsContact O-CA 3.24Å; I417-P421 WeakPolarHBondContact O-CA 3.48Å; I417-P421 WeakPolarHBondContact O-CB 3.37Å; I417-P421 WeakPolarHBondContact O-CD 3.49Å; I417-F424 HydrophobicContact CG1-CB 3.94Å; I417-S426 VanDerWaalsContact CD1-OG 3.26Å; I417-S426 WeakPolarHBondContact CD1-OG 3.24Å
418	E	90.1	Very high	90.9	Very high	92 Å²	92	40.6 Å²	40.6	43%	0.43	21%	0.212	S	C	.	.	H	α-helix	trans	-67.1	-34.1	176	-74.7	177.8	-173.9	0	0	112.7	I345 R414 Q415	I345-E418 HydrophobicContact CD1-CG 3.57Å; R414-E418 WeakPolarHBondContact CG-OE1 3.2Å; R414-E418 IonicContact CZ-OE1 3.86Å; R414-E418 IonicContact CZ-OE2 3.58Å; R414-E418 IonicContact NH1-OE1 2.8Å; R414-E418 PolarHBondContact NH1-OE1 3.34Å; R414-E418 IonicContact NH1-OE2 2.7Å; R414-E418 PolarHBondContact NH1-OE2 3.06Å; R414-E418 IonicContact NH2-OE2 3.69Å; R414-E418 WeakPolarHBondContact O-CB 3.17Å; R414-E418 WeakPolarHBondContact O-CG 3.36Å; R414-E418 PolarHBondContact O-N 3.5Å; Q415-E418 PolarHBondContact O-N 3.42Å
419	F	90.6	Very high	91.2	Very high	154 Å²	154	40.3 Å²	40.3	68%	0.675	21%	0.207	S	C	*	.	H	α-helix	trans	-66.2	-39.9	177.9	-178.6	-101.7	0	0	0	112	Q415 L416 I417 L581	Q415-F419 WeakPolarHBondContact O-CB 3.43Å; Q415-F419 PolarHBondContact O-N 2.98Å; L416-F419 PolarHBondContact O-N 3.05Å; I417-F419 VanDerWaalsContact C-N 3.32Å; F419-L581 HydrophobicContact CD1-CD1 4.41Å; F419-L581 HydrophobicContact CE1-CD1 4.27Å
420	N	91.5	Very high	91.4	Very high	53 Å²	53	40.8 Å²	40.8	28%	0.283	21%	0.208	S	C	.	.			trans	-145.8	80.1	178.3	-168.3	-7.3	0	0	0	112.9	L416 I417 S422 H423 F424	L416-N420 PolarHBondContact O-N 3.19Å; I417-N420 CarbonylContact O-C 3.48Å; I417-N420 PolarHBondContact O-N 2.85Å; N420-S422 VanDerWaalsContact C-N 3.27Å; N420-S422 PolarHBondContact O-N 3.36Å; N420-S422 PolarHBondContact OD1-OG 2.94Å; N420-H423 HydrophobicContact CB-CB 4.4Å; N420-H423 WeakPolarHBondContact ND2-CB 3.31Å; N420-H423 PolarHBondContact O-N 3.5Å; N420-H423 PolarHBondContact OD1-N 3.35Å; N420-F424 HydrophobicContact CB-CD2 3.9Å; N420-F424 HydrophobicContact CB-CE2 4.01Å; N420-F424 WeakPolarHBondContact O-CD2 3.48Å; N420-F424 PolarHBondContact O-N 3.49Å
421	P	91.9	Very high	91.8	Very high	84 Å²	84	39.8 Å²	39.8	55%	0.545	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-15.2	-174.2	28.5	-35.8	0	0	0	114	I417 H423	I417-P421 VanDerWaalsContact O-CA 3.24Å; I417-P421 WeakPolarHBondContact O-CA 3.48Å; I417-P421 WeakPolarHBondContact O-CB 3.37Å; I417-P421 WeakPolarHBondContact O-CD 3.49Å; P421-H423 VanDerWaalsContact C-N 3.34Å
422	S	92.6	Very high	92.2	Very high	90 Å²	90	39.1 Å²	39.1	63%	0.629	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-25.3	173.5	58.9	0	0	0	0	111.8	N420	N420-S422 VanDerWaalsContact C-N 3.27Å; N420-S422 PolarHBondContact O-N 3.36Å; N420-S422 PolarHBondContact OD1-OG 2.94Å
423	H	94.1	Very high	92.3	Very high	58 Å²	58	41.2 Å²	41.2	27%	0.269	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.2	-35.1	-175.5	-162.9	70.8	0	0	0	113.7	Y396 N420 P421 I489	Y396-H423 AromaticContact CZ-CE1 3.82Å; Y396-H423 PolarHBondContact OH-CE1 3.25Å; N420-H423 HydrophobicContact CB-CB 4.4Å; N420-H423 WeakPolarHBondContact ND2-CB 3.31Å; N420-H423 PolarHBondContact O-N 3.5Å; N420-H423 PolarHBondContact OD1-N 3.35Å; P421-H423 VanDerWaalsContact C-N 3.34Å; H423-I489 WeakPolarHBondContact NE2-CD1 3.47Å; H423-I489 PolarHBondContact O-N 3.07Å
424	F	95.5	Very high	92.4	Very high	11 Å²	11	46.5 Å²	46.5	5%	0.048	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	138.4	-178.2	-57.1	-72.2	0	0	0	111.9	L416 I417 N420 I489 V491 L581 I584	L416-F424 HydrophobicContact CD1-CD1 4.39Å; L416-F424 HydrophobicContact CD1-CD2 3.89Å; L416-F424 HydrophobicContact CD1-CE1 4.12Å; L416-F424 HydrophobicContact CD1-CE2 3.59Å; L416-F424 HydrophobicContact CD1-CG 4.29Å; L416-F424 HydrophobicContact CD1-CZ 3.72Å; L416-F424 HydrophobicContact CD2-CD1 4.08Å; L416-F424 HydrophobicContact CD2-CE1 4.28Å; L416-F424 HydrophobicContact CD2-CG 4.33Å; L416-F424 HydrophobicContact CG-CB 4.49Å; L416-F424 HydrophobicContact CG-CD1 4.12Å; L416-F424 HydrophobicContact CG-CD2 3.91Å; L416-F424 HydrophobicContact CG-CE1 4.32Å; L416-F424 HydrophobicContact CG-CE2 4.12Å; L416-F424 HydrophobicContact CG-CG 3.92Å; L416-F424 HydrophobicContact CG-CZ 4.33Å; L416-F424 WeakPolarHBondContact O-CD2 3.2Å; I417-F424 HydrophobicContact CG1-CB 3.94Å; N420-F424 HydrophobicContact CB-CD2 3.9Å; N420-F424 HydrophobicContact CB-CE2 4.01Å; N420-F424 WeakPolarHBondContact O-CD2 3.48Å; N420-F424 PolarHBondContact O-N 3.49Å; F424-I489 HydrophobicContact CD1-CB 3.85Å; F424-I489 HydrophobicContact CD1-CD1 4.41Å; F424-I489 HydrophobicContact CD1-CG2 4.07Å; F424-I489 HydrophobicContact CE1-CB 4.17Å; F424-I489 HydrophobicContact CE1-CD1 3.87Å; F424-I489 HydrophobicContact CE1-CG2 4.27Å; F424-V491 HydrophobicContact CB-CG2 4.48Å; F424-V491 HydrophobicContact CD1-CG2 4.01Å; F424-L581 HydrophobicContact CE2-CD2 3.98Å; F424-L581 HydrophobicContact CZ-CD2 3.86Å; F424-I584 HydrophobicContact CE1-CD1 4.19Å; F424-I584 HydrophobicContact CE1-CG2 4.05Å
425	Q	94.8	Very high	92.5	Very high	46 Å²	46	48.1 Å²	48.1	22%	0.215	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	152	175.9	178.9	166.7	-33	0	0	111	V483 E486 K488 I489 C490 V491	Q425-V483 HydrophobicContact CB-CG1 3.73Å; Q425-V483 HydrophobicContact CG-CG1 4.04Å; Q425-V483 HydrophobicContact CG-CG2 4.05Å; Q425-E486 PolarHBondContact NE2-OE2 3.09Å; Q425-K488 HydrophobicContact CB-CB 4.46Å; Q425-K488 HydrophobicContact CB-CD 3.98Å; Q425-I489 PolarHBondContact N-O 3.33Å; Q425-C490 CarbonylContact O-C 3.43Å; Q425-C490 VanDerWaalsContact O-CA 3.29Å; Q425-C490 WeakPolarHBondContact O-CA 3.45Å; Q425-V491 PolarHBondContact O-N 3.32Å
426	S	92.5	Very high	92.5	Very high	2 Å²	2	49.1 Å²	49.1	1%	0.014	26%	0.255	C	S	.	.			trans	-98.3	147.5	170.8	-74.1	0	0	0	0	110.7	A346 I417 V491	A346-S426 WeakPolarHBondContact O-CB 3.28Å; I417-S426 VanDerWaalsContact CD1-OG 3.26Å; I417-S426 WeakPolarHBondContact CD1-OG 3.24Å; S426-V491 PolarHBondContact OG-O 2.88Å
427	A	92.7	Very high	92.4	Very high	6 Å²	6	54.8 Å²	54.8	5%	0.05	30%	0.295	C	S	.	.			trans	-62.2	140.8	170.8	0	0	0	0	0	110.7	P429 T475 A479 V480	A427-P429 VanDerWaalsContact O-CD 3.28Å; A427-P429 WeakPolarHBondContact O-CD 3.35Å; A427-T475 HydrophobicContact CB-CG2 3.83Å; A427-A479 HydrophobicContact CB-CB 4.03Å; A427-V480 HydrophobicContact CB-CG2 3.81Å
428	V	92.1	Very high	92.1	Very high	19 Å²	19	59 Å²	59	12%	0.115	31%	0.31	C	S	.	.			trans	-80.7	114.9	176.1	-174.8	0	0	0	0	108.6	A346 H446 A479	A346-V428 HydrophobicContact CB-CG2 3.92Å; V428-H446 PolarHBondContact O-CD2 3.42Å; V428-A479 VanDerWaalsContact O-CB 3.24Å; V428-A479 WeakPolarHBondContact O-CB 3.45Å
429	P	92.7	Very high	92	Very high	13 Å²	13	55.4 Å²	55.4	8%	0.084	29%	0.294	C	S	.	.			trans	-75.7	163.4	-177.8	29.3	-33.4	0	0	0	112.1	A427 Y445 H446 G474	A427-P429 VanDerWaalsContact O-CD 3.28Å; A427-P429 WeakPolarHBondContact O-CD 3.35Å; P429-Y445 HydrophobicContact CB-CD1 4.11Å; P429-Y445 HydrophobicContact CB-CE1 4.24Å; P429-Y445 HydrophobicContact CG-CD1 3.54Å; P429-Y445 HydrophobicContact CG-CE1 3.54Å; P429-Y445 HydrophobicContact CG-CG 4.44Å; P429-Y445 CarbonylContact O-C 3.56Å; P429-Y445 WeakPolarHBondContact O-CA 3.37Å; P429-H446 PolarHBondContact O-N 3.47Å; P429-G474 CarbonylContact C-O 3.52Å; P429-G474 WeakPolarHBondContact CA-O 2.95Å; P429-G474 WeakPolarHBondContact CB-O 3.4Å
430	H	93.1	Very high	91.8	Very high	22 Å²	22	52.8 Å²	52.8	10%	0.102	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	150.9	174.4	-64.6	65.4	0	0	0	110.8	H446 V448 F453 Y473 G474 S476	H430-H446 CarbonylContact C-O 3.36Å; H430-H446 VanDerWaalsContact CA-O 3.28Å; H430-H446 WeakPolarHBondContact CA-O 3.3Å; H430-H446 AromaticContact CE1-CD2 3.78Å; H430-H446 AromaticContact NE2-CD2 3.99Å; H430-H446 AromaticContact NE2-CG 3.93Å; H430-V448 HydrophobicContact CB-CG2 4.3Å; H430-F453 HydrophobicContact CB-CD2 4.03Å; H430-F453 HydrophobicContact CB-CE2 3.79Å; H430-Y473 WeakPolarHBondContact O-CA 3.39Å; H430-G474 PolarHBondContact N-O 2.69Å; H430-G474 PolarHBondContact O-N 3.25Å; H430-G474 VanDerWaalsContact O-N 3.08Å; H430-S476 PolarHBondContact CE1-OG 2.82Å
431	T	94.3	Very high	91.8	Very high	0 Å²	0	55 Å²	55	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	149.6	170	-172.1	0	0	0	0	113	R433 Y445 H446 Y447 V448 L472 Y473	T431-R433 HydrophobicContact CG2-CB 4.23Å; T431-R433 WeakPolarHBondContact OG1-CB 3.45Å; T431-R433 PolarHBondContact OG1-N 3.21Å; T431-R433 VanDerWaalsContact OG1-N 3.1Å; T431-Y445 HydrophobicContact CG2-CD1 3.96Å; T431-Y445 HydrophobicContact CG2-CD2 4.46Å; T431-Y445 HydrophobicContact CG2-CG 3.76Å; T431-H446 PolarHBondContact N-O 2.94Å; T431-Y447 HydrophobicContact CG2-CD1 3.56Å; T431-Y447 HydrophobicContact CG2-CE1 3.81Å; T431-Y447 HydrophobicContact CG2-CG 4.35Å; T431-V448 PolarHBondContact O-N 3.34Å; T431-L472 CarbonylContact C-O 3.57Å; T431-L472 WeakPolarHBondContact CA-O 3.43Å; T431-L472 PolarHBondContact OG1-O 3.44Å; T431-Y473 HydrophobicContact CG2-CE1 4.38Å; T431-Y473 WeakPolarHBondContact OG1-CD1 3.44Å; T431-Y473 WeakPolarHBondContact OG1-CE1 3.49Å
432	T	93.8	Very high	91.4	Very high	26 Å²	26	52.5 Å²	52.5	16%	0.16	29%	0.286	C	S	.	.	S	Bend	trans	-91	-2.4	169.5	66.6	0	0	0	0	113.5	V448 K450 F453 L472	T432-V448 WeakPolarHBondContact CA-O 3.42Å; T432-K450 HydrophobicContact CG2-CB 4.28Å; T432-K450 HydrophobicContact CG2-CG 4.39Å; T432-F453 HydrophobicContact CG2-CB 3.65Å; T432-F453 HydrophobicContact CG2-CD2 3.99Å; T432-F453 HydrophobicContact CG2-CG 3.91Å; T432-L472 HydrophobicContact CG2-CB 3.9Å; T432-L472 HydrophobicContact CG2-CD1 4.27Å; T432-L472 HydrophobicContact CG2-CG 4.41Å; T432-L472 PolarHBondContact N-O 2.99Å; T432-L472 PolarHBondContact OG1-N 3.13Å
433	R	93.1	Very high	91.1	Very high	46 Å²	46	52.8 Å²	52.8	17%	0.174	27%	0.273	C	S	.	.	S	Bend	trans	-65	144.2	172	-170	-167.9	65.5	169.3	1.3	109.2	T431 E439 Y447 H471 Y473	T431-R433 HydrophobicContact CG2-CB 4.23Å; T431-R433 WeakPolarHBondContact OG1-CB 3.45Å; T431-R433 PolarHBondContact OG1-N 3.21Å; T431-R433 VanDerWaalsContact OG1-N 3.1Å; R433-E439 IonicContact CZ-OE1 2.82Å; R433-E439 IonicContact CZ-OE2 3.64Å; R433-E439 IonicContact NH1-OE1 2.74Å; R433-E439 IonicContact NH2-OE1 3.61Å; R433-E439 PolarHBondContact NH2-OE1 3.27Å; R433-E439 IonicContact NH2-OE2 3.81Å; R433-E439 PolarHBondContact NH2-OE2 3.46Å; R433-Y447 WeakPolarHBondContact O-CD1 3.39Å; R433-H471 HydrophobicContact CB-CB 4Å; R433-Y473 WeakPolarHBondContact CD-OH 3.4Å
434	T	92.1	Very high	90.6	Very high	116 Å²	116	50.9 Å²	50.9	71%	0.712	27%	0.265	S	S	*	.	P	Polyproline II helix	trans	-63.6	143.7	170	51.5	0	0	0	0	111.5
435	K	92.4	Very high	90.4	Very high	110 Å²	110	51.8 Å²	51.8	48%	0.478	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-67.4	134.8	176.1	-169.5	-173.9	77.3	157.7	0	110.3	E439 Y447	K435-E439 VanDerWaalsContact CD-O 3.27Å; K435-E439 WeakPolarHBondContact CD-O 3.24Å; K435-E439 WeakPolarHBondContact CE-O 3.44Å; K435-E439 HydrophobicContact CG-CB 3.92Å; K435-E439 PolarHBondContact NZ-O 2.66Å; K435-Y447 HydrophobicContact CB-CD1 3.76Å; K435-Y447 HydrophobicContact CB-CD2 3.98Å; K435-Y447 HydrophobicContact CB-CE1 3.9Å; K435-Y447 HydrophobicContact CB-CE2 4.16Å; K435-Y447 HydrophobicContact CB-CG 3.79Å; K435-Y447 HydrophobicContact CD-CD2 4.07Å; K435-Y447 HydrophobicContact CD-CE2 4.09Å; K435-Y447 HydrophobicContact CG-CD1 4.28Å; K435-Y447 HydrophobicContact CG-CD2 3.83Å; K435-Y447 HydrophobicContact CG-CE1 4.06Å; K435-Y447 HydrophobicContact CG-CE2 3.62Å; K435-Y447 HydrophobicContact CG-CG 4.16Å
436	K	89.5	Confident	90.4	Very high	73 Å²	73	52.3 Å²	52.3	32%	0.317	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-78	160.7	172.2	-61.8	-178.3	176	179.1	0	111.5	Y438 E439	K436-Y438 HydrophobicContact CB-CD1 4.28Å; K436-Y438 HydrophobicContact CB-CE1 3.95Å; K436-Y438 HydrophobicContact CD-CE1 3.84Å; K436-Y438 HydrophobicContact CD-CE2 4.3Å; K436-Y438 VanDerWaalsContact CD-CZ 3.49Å; K436-Y438 WeakPolarHBondContact CD-OH 3.41Å; K436-Y438 PolarHBondContact NZ-OH 2.88Å; K436-Y438 VanDerWaalsContact NZ-OH 3.17Å; K436-Y438 PolarHBondContact O-N 3.29Å; K436-E439 HydrophobicContact CB-CB 4.48Å; K436-E439 HydrophobicContact CB-CG 4.01Å; K436-E439 PolarHBondContact N-OE2 2.96Å; K436-E439 PolarHBondContact O-N 3.41Å; K436-E439 VanDerWaalsContact O-N 3.11Å
437	S	88.8	Confident	90.5	Very high	120 Å²	120	54 Å²	54	84%	0.839	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-32.2	-176.8	52.6	0	0	0	0	114.2
438	Y	86.4	Confident	90.6	Very high	97 Å²	97	55.3 Å²	55.3	38%	0.38	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	0.5	-178.8	58.6	-98	0	0	0	114.2	Y339 K436	Y339-Y438 HydrophobicContact CE1-CE1 4.48Å; K436-Y438 HydrophobicContact CB-CD1 4.28Å; K436-Y438 HydrophobicContact CB-CE1 3.95Å; K436-Y438 HydrophobicContact CD-CE1 3.84Å; K436-Y438 HydrophobicContact CD-CE2 4.3Å; K436-Y438 VanDerWaalsContact CD-CZ 3.49Å; K436-Y438 WeakPolarHBondContact CD-OH 3.41Å; K436-Y438 PolarHBondContact NZ-OH 2.88Å; K436-Y438 VanDerWaalsContact NZ-OH 3.17Å; K436-Y438 PolarHBondContact O-N 3.29Å
439	E	87.6	Confident	90.8	Very high	17 Å²	17	57.3 Å²	57.3	8%	0.079	30%	0.299	C	S	.	.			trans	-98.6	152.4	-179.7	-67.2	171.9	167.8	0	0	111.1	R433 K435 K436 E444 Y447	R433-E439 IonicContact CZ-OE1 2.82Å; R433-E439 IonicContact CZ-OE2 3.64Å; R433-E439 IonicContact NH1-OE1 2.74Å; R433-E439 IonicContact NH2-OE1 3.61Å; R433-E439 PolarHBondContact NH2-OE1 3.27Å; R433-E439 IonicContact NH2-OE2 3.81Å; R433-E439 PolarHBondContact NH2-OE2 3.46Å; K435-E439 VanDerWaalsContact CD-O 3.27Å; K435-E439 WeakPolarHBondContact CD-O 3.24Å; K435-E439 WeakPolarHBondContact CE-O 3.44Å; K435-E439 HydrophobicContact CG-CB 3.92Å; K435-E439 PolarHBondContact NZ-O 2.66Å; K436-E439 HydrophobicContact CB-CB 4.48Å; K436-E439 HydrophobicContact CB-CG 4.01Å; K436-E439 PolarHBondContact N-OE2 2.96Å; K436-E439 PolarHBondContact O-N 3.41Å; K436-E439 VanDerWaalsContact O-N 3.11Å; E439-E444 HydrophobicContact CG-CG 4.41Å; E439-Y447 WeakPolarHBondContact CB-OH 3.49Å; E439-Y447 PolarHBondContact OE2-OH 3.35Å
440	M	87.2	Confident	90.9	Very high	100 Å²	100	62.6 Å²	62.6	49%	0.493	32%	0.321	S	S	.	.			trans	-118.1	133.9	179.7	-62.8	-166.5	-57.7	0	0	110.9	G442 R443 E444	M440-G442 PolarHBondContact O-N 3.05Å; M440-R443 HydrophobicContact CB-CB 4.03Å; M440-R443 HydrophobicContact CE-CB 4.48Å; M440-R443 PolarHBondContact O-N 2.86Å; M440-R443 VanDerWaalsContact O-N 3.14Å; M440-E444 PolarHBondContact N-OE2 3.3Å; M440-E444 PolarHBondContact O-N 3.22Å
441	N	90	Very high	91.1	Very high	99 Å²	99	68.1 Å²	68.1	53%	0.529	35%	0.346	S	S	.	.	B	Isolated β-bridge	trans	-66.3	133.5	177.1	-174.3	58.7	0	0	0	110.2	R443 Y447	N441-R443 PolarHBondContact O-N 2.84Å; N441-Y447 HydrophobicContact CB-CD2 4.12Å; N441-Y447 WeakPolarHBondContact OD1-CD2 3.41Å; N441-Y447 PolarHBondContact OD1-N 3.21Å
442	G	85.1	Confident	91.2	Very high	31 Å²	31	71.1 Å²	71.1	32%	0.32	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.1	1.1	-175.5	0	0	0	0	0	114.4	M440 Y445	M440-G442 PolarHBondContact O-N 3.05Å; G442-Y445 PolarHBondContact N-O 2.82Å
443	R	84.6	Confident	91.3	Very high	96 Å²	96	69.9 Å²	69.9	36%	0.362	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	-67.7	169.8	-174.1	-179.3	-174.2	-163.7	13.9	111	A346 M440 N441	A346-R443 WeakPolarHBondContact CB-O 3.27Å; M440-R443 HydrophobicContact CB-CB 4.03Å; M440-R443 HydrophobicContact CE-CB 4.48Å; M440-R443 PolarHBondContact O-N 2.86Å; M440-R443 VanDerWaalsContact O-N 3.14Å; N441-R443 PolarHBondContact O-N 2.84Å
444	E	84.4	Confident	91.3	Very high	18 Å²	18	70.6 Å²	70.6	8%	0.084	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-47.5	179.8	-67.3	75.2	-159.4	0	0	111.3	F344 E439 M440	F344-E444 HydrophobicContact CD1-CG 4.19Å; F344-E444 WeakPolarHBondContact CD1-OE1 3.33Å; F344-E444 WeakPolarHBondContact CG-OE1 3.39Å; E439-E444 HydrophobicContact CG-CG 4.41Å; M440-E444 PolarHBondContact N-OE2 3.3Å; M440-E444 PolarHBondContact O-N 3.22Å
445	Y	91.1	Very high	91.4	Very high	30 Å²	30	69.3 Å²	69.3	12%	0.118	35%	0.351	C	S	.	.	B	Isolated β-bridge	trans	-146.5	159.3	176.2	-63.9	-94.4	0	0	0	110.3	S351 P429 T431 G442 Y447 Y473	S351-Y445 PolarHBondContact OG-OH 3.29Å; P429-Y445 HydrophobicContact CB-CD1 4.11Å; P429-Y445 HydrophobicContact CB-CE1 4.24Å; P429-Y445 HydrophobicContact CG-CD1 3.54Å; P429-Y445 HydrophobicContact CG-CE1 3.54Å; P429-Y445 HydrophobicContact CG-CG 4.44Å; P429-Y445 CarbonylContact O-C 3.56Å; P429-Y445 WeakPolarHBondContact O-CA 3.37Å; T431-Y445 HydrophobicContact CG2-CD1 3.96Å; T431-Y445 HydrophobicContact CG2-CD2 4.46Å; T431-Y445 HydrophobicContact CG2-CG 3.76Å; G442-Y445 PolarHBondContact N-O 2.82Å; Y445-Y447 VanDerWaalsContact O-CD2 3.26Å; Y445-Y447 WeakPolarHBondContact O-CD2 3.46Å; Y445-Y447 VanDerWaalsContact O-CE2 3.25Å; Y445-Y447 WeakPolarHBondContact O-CE2 3.37Å; Y445-Y473 HydrophobicContact CD1-CD1 4.15Å; Y445-Y473 AromaticContact CE1-CD1 3.66Å; Y445-Y473 HydrophobicContact CE1-CD1 3.66Å; Y445-Y473 HydrophobicContact CE1-CE1 4.05Å
446	H	94.1	Very high	91.4	Very high	57 Å²	57	65.5 Å²	65.5	26%	0.264	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	107.1	154.9	-68.1	-72.3	0	0	0	108.6	V428 P429 H430 T431 V448	V428-H446 PolarHBondContact O-CD2 3.42Å; P429-H446 PolarHBondContact O-N 3.47Å; H430-H446 CarbonylContact C-O 3.36Å; H430-H446 VanDerWaalsContact CA-O 3.28Å; H430-H446 WeakPolarHBondContact CA-O 3.3Å; H430-H446 AromaticContact CE1-CD2 3.78Å; H430-H446 AromaticContact NE2-CD2 3.99Å; H430-H446 AromaticContact NE2-CG 3.93Å; T431-H446 PolarHBondContact N-O 2.94Å; H446-V448 HydrophobicContact CB-CG1 4.45Å; H446-V448 PolarHBondContact O-N 3.02Å
447	Y	94.7	Very high	91.4	Very high	37 Å²	37	63.8 Å²	63.8	15%	0.145	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	108	180	-59.8	-88.6	0	0	0	108.7	T431 R433 K435 E439 N441 Y445	T431-Y447 HydrophobicContact CG2-CD1 3.56Å; T431-Y447 HydrophobicContact CG2-CE1 3.81Å; T431-Y447 HydrophobicContact CG2-CG 4.35Å; R433-Y447 WeakPolarHBondContact O-CD1 3.39Å; K435-Y447 HydrophobicContact CB-CD1 3.76Å; K435-Y447 HydrophobicContact CB-CD2 3.98Å; K435-Y447 HydrophobicContact CB-CE1 3.9Å; K435-Y447 HydrophobicContact CB-CE2 4.16Å; K435-Y447 HydrophobicContact CB-CG 3.79Å; K435-Y447 HydrophobicContact CD-CD2 4.07Å; K435-Y447 HydrophobicContact CD-CE2 4.09Å; K435-Y447 HydrophobicContact CG-CD1 4.28Å; K435-Y447 HydrophobicContact CG-CD2 3.83Å; K435-Y447 HydrophobicContact CG-CE1 4.06Å; K435-Y447 HydrophobicContact CG-CE2 3.62Å; K435-Y447 HydrophobicContact CG-CG 4.16Å; E439-Y447 WeakPolarHBondContact CB-OH 3.49Å; E439-Y447 PolarHBondContact OE2-OH 3.35Å; N441-Y447 HydrophobicContact CB-CD2 4.12Å; N441-Y447 WeakPolarHBondContact OD1-CD2 3.41Å; N441-Y447 PolarHBondContact OD1-N 3.21Å; Y445-Y447 VanDerWaalsContact O-CD2 3.26Å; Y445-Y447 WeakPolarHBondContact O-CD2 3.46Å; Y445-Y447 VanDerWaalsContact O-CE2 3.25Å; Y445-Y447 WeakPolarHBondContact O-CE2 3.37Å
448	V	96.1	Very high	91.5	Very high	35 Å²	35	66.2 Å²	66.2	21%	0.212	32%	0.322	C	S	.	.			trans	-123.6	159.1	-172.6	-63.7	0	0	0	0	111.5	H430 T431 T432 H446 T452 F453	H430-V448 HydrophobicContact CB-CG2 4.3Å; T431-V448 PolarHBondContact O-N 3.34Å; T432-V448 WeakPolarHBondContact CA-O 3.42Å; H446-V448 HydrophobicContact CB-CG1 4.45Å; H446-V448 PolarHBondContact O-N 3.02Å; V448-T452 HydrophobicContact CB-CG2 4.16Å; V448-T452 HydrophobicContact CG1-CG2 4.35Å; V448-F453 HydrophobicContact CG2-CB 4.1Å; V448-F453 HydrophobicContact CG2-CD2 3.93Å
449	S	96.7	Very high	91.7	Very high	60 Å²	60	64.7 Å²	64.7	42%	0.42	33%	0.325	S	S	.	.			trans	-67.6	158.3	172.8	71.2	0	0	0	0	110.9	E451 T452 F453	S449-E451 VanDerWaalsContact C-N 3.28Å; S449-E451 PolarHBondContact O-N 3.28Å; S449-T452 PolarHBondContact O-N 2.93Å; S449-T452 PolarHBondContact OG-N 3.21Å; S449-T452 VanDerWaalsContact OG-N 3.15Å; S449-T452 PolarHBondContact OG-OG1 3.15Å; S449-F453 PolarHBondContact O-N 3.28Å
450	K	95	Very high	91.6	Very high	125 Å²	125	70.4 Å²	70.4	54%	0.543	35%	0.352	S	S	.	.	H	α-helix	trans	-57.8	-42.5	175.3	-162.7	-171.2	-175.2	-139	0	111.9	T432 T452 F453 E454 L472	T432-K450 HydrophobicContact CG2-CB 4.28Å; T432-K450 HydrophobicContact CG2-CG 4.39Å; K450-T452 PolarHBondContact O-N 2.99Å; K450-F453 WeakPolarHBondContact O-CB 3.17Å; K450-F453 PolarHBondContact O-N 3.33Å; K450-E454 WeakPolarHBondContact CD-OE1 3.14Å; K450-E454 WeakPolarHBondContact CE-OE1 3.15Å; K450-E454 HydrophobicContact CG-CG 4.45Å; K450-E454 IonicContact NZ-OE1 3.8Å; K450-E454 PolarHBondContact NZ-OE1 3.23Å; K450-E454 WeakPolarHBondContact O-CB 3.39Å; K450-E454 WeakPolarHBondContact O-CG 3.32Å; K450-E454 PolarHBondContact O-N 2.88Å; K450-L472 HydrophobicContact CG-CD1 4.26Å
451	E	96.4	Very high	91.8	Very high	137 Å²	137	70.2 Å²	70.2	64%	0.64	35%	0.345	S	S	*	.	H	α-helix	trans	-58.8	-45.8	175.5	-177.1	-175.8	179.7	0	0	112.2	S449 F453 E454 N455	S449-E451 VanDerWaalsContact C-N 3.28Å; S449-E451 PolarHBondContact O-N 3.28Å; E451-F453 VanDerWaalsContact C-N 3.31Å; E451-F453 PolarHBondContact O-N 3.35Å; E451-E454 PolarHBondContact O-N 3.38Å; E451-N455 WeakPolarHBondContact O-CB 3.14Å; E451-N455 PolarHBondContact O-N 3.22Å; E451-N455 PolarHBondContact O-ND2 2.97Å
452	T	95.8	Very high	91.8	Very high	63 Å²	63	66.4 Å²	66.4	39%	0.387	33%	0.325	S	S	.	.	H	α-helix	trans	-62.7	-41.8	177.3	-53.9	0	0	0	0	111	V448 S449 K450 N455 L456	V448-T452 HydrophobicContact CB-CG2 4.16Å; V448-T452 HydrophobicContact CG1-CG2 4.35Å; S449-T452 PolarHBondContact O-N 2.93Å; S449-T452 PolarHBondContact OG-N 3.21Å; S449-T452 VanDerWaalsContact OG-N 3.15Å; S449-T452 PolarHBondContact OG-OG1 3.15Å; K450-T452 PolarHBondContact O-N 2.99Å; T452-N455 PolarHBondContact O-N 3Å; T452-L456 WeakPolarHBondContact O-CG 3.33Å; T452-L456 PolarHBondContact O-N 3.01Å; T452-L456 VanDerWaalsContact O-N 3.11Å
453	F	95.6	Very high	92	Very high	0 Å²	0	65.4 Å²	65.4	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-64.4	-46	177.9	-161.7	-73.6	0	0	0	111.5	H430 T432 V448 S449 K450 E451 N455 L456 I457 M462 L472 Y473	H430-F453 HydrophobicContact CB-CD2 4.03Å; H430-F453 HydrophobicContact CB-CE2 3.79Å; T432-F453 HydrophobicContact CG2-CB 3.65Å; T432-F453 HydrophobicContact CG2-CD2 3.99Å; T432-F453 HydrophobicContact CG2-CG 3.91Å; V448-F453 HydrophobicContact CG2-CB 4.1Å; V448-F453 HydrophobicContact CG2-CD2 3.93Å; S449-F453 PolarHBondContact O-N 3.28Å; K450-F453 WeakPolarHBondContact O-CB 3.17Å; K450-F453 PolarHBondContact O-N 3.33Å; E451-F453 VanDerWaalsContact C-N 3.31Å; E451-F453 PolarHBondContact O-N 3.35Å; F453-N455 VanDerWaalsContact C-N 3.33Å; F453-N455 PolarHBondContact O-N 2.92Å; F453-L456 WeakPolarHBondContact O-CB 3.18Å; F453-L456 PolarHBondContact O-N 3.44Å; F453-I457 HydrophobicContact CD1-CD1 3.79Å; F453-I457 HydrophobicContact CD1-CG1 4.17Å; F453-I457 HydrophobicContact CE1-CD1 3.82Å; F453-I457 HydrophobicContact CE1-CG1 4.15Å; F453-I457 PolarHBondContact O-N 3.44Å; F453-I457 VanDerWaalsContact O-N 3.13Å; F453-M462 HydrophobicContact CE1-CE 3.9Å; F453-M462 HydrophobicContact CE2-CE 3.93Å; F453-M462 HydrophobicContact CZ-CE 3.41Å; F453-M462 VanDerWaalsContact CZ-CE 3.41Å; F453-L472 HydrophobicContact CD1-CB 3.85Å; F453-L472 HydrophobicContact CD1-CD1 3.71Å; F453-L472 HydrophobicContact CD1-CG 4.4Å; F453-L472 HydrophobicContact CD2-CB 4.27Å; F453-L472 HydrophobicContact CE1-CB 3.72Å; F453-L472 HydrophobicContact CE1-CD1 4.19Å; F453-L472 HydrophobicContact CE1-CG 4.49Å; F453-L472 HydrophobicContact CE2-CB 4.15Å; F453-L472 HydrophobicContact CG-CB 4.13Å; F453-L472 HydrophobicContact CG-CD1 4.26Å; F453-L472 HydrophobicContact CZ-CB 3.88Å; F453-Y473 VanDerWaalsContact CZ-C 3.43Å
454	E	93.6	Very high	92.1	Very high	61 Å²	61	61 Å²	61	29%	0.285	30%	0.296	S	S	.	.	H	α-helix	trans	-61.3	-40.8	176.5	-74.2	171	177.5	0	0	110.9	K450 E451 L456 I457 Y458	K450-E454 WeakPolarHBondContact CD-OE1 3.14Å; K450-E454 WeakPolarHBondContact CE-OE1 3.15Å; K450-E454 HydrophobicContact CG-CG 4.45Å; K450-E454 IonicContact NZ-OE1 3.8Å; K450-E454 PolarHBondContact NZ-OE1 3.23Å; K450-E454 WeakPolarHBondContact O-CB 3.39Å; K450-E454 WeakPolarHBondContact O-CG 3.32Å; K450-E454 PolarHBondContact O-N 2.88Å; E451-E454 PolarHBondContact O-N 3.38Å; E454-L456 VanDerWaalsContact C-N 3.33Å; E454-L456 PolarHBondContact O-N 3.41Å; E454-I457 WeakPolarHBondContact O-CA 3.47Å; E454-I457 WeakPolarHBondContact O-CB 3.47Å; E454-I457 PolarHBondContact O-N 3.47Å; E454-Y458 HydrophobicContact CB-CD2 4.33Å; E454-Y458 HydrophobicContact CB-CE2 3.99Å; E454-Y458 WeakPolarHBondContact O-CD2 3.32Å; E454-Y458 PolarHBondContact O-N 2.79Å
455	N	95.1	Very high	92.2	Very high	89 Å²	89	65.1 Å²	65.1	48%	0.476	31%	0.311	S	S	.	.	H	α-helix	trans	-60.4	-38.5	173.9	-72.2	-22.9	0	0	0	113	E451 T452 F453 I457 Y458 S459	E451-N455 WeakPolarHBondContact O-CB 3.14Å; E451-N455 PolarHBondContact O-N 3.22Å; E451-N455 PolarHBondContact O-ND2 2.97Å; T452-N455 PolarHBondContact O-N 3Å; F453-N455 VanDerWaalsContact C-N 3.33Å; F453-N455 PolarHBondContact O-N 2.92Å; N455-I457 VanDerWaalsContact C-N 3.31Å; N455-I457 PolarHBondContact O-N 3.06Å; N455-Y458 PolarHBondContact O-N 3.46Å; N455-S459 WeakPolarHBondContact O-CB 3.37Å; N455-S459 PolarHBondContact O-N 3.28Å; N455-S459 PolarHBondContact O-OG 3.16Å
456	L	92.3	Very high	91.9	Very high	30 Å²	30	64.4 Å²	64.4	16%	0.157	31%	0.313	C	S	.	.	H	α-helix	trans	-65.7	-34.5	173.9	-68	170.2	0	0	0	112	T452 F453 E454 S459 R461 M462	T452-L456 WeakPolarHBondContact O-CG 3.33Å; T452-L456 PolarHBondContact O-N 3.01Å; T452-L456 VanDerWaalsContact O-N 3.11Å; F453-L456 WeakPolarHBondContact O-CB 3.18Å; F453-L456 PolarHBondContact O-N 3.44Å; E454-L456 VanDerWaalsContact C-N 3.33Å; E454-L456 PolarHBondContact O-N 3.41Å; L456-S459 WeakPolarHBondContact CA-OG 3.13Å; L456-S459 PolarHBondContact O-OG 3.11Å; L456-R461 HydrophobicContact CD2-CB 4.12Å; L456-R461 PolarHBondContact O-N 3.21Å; L456-M462 HydrophobicContact CB-CG 3.62Å; L456-M462 HydrophobicContact CB-SD 3.76Å; L456-M462 HydrophobicContact CD1-SD 4.05Å; L456-M462 PolarHBondContact O-N 3.11Å
457	I	88.9	Confident	91.4	Very high	37 Å²	37	67.6 Å²	67.6	19%	0.19	33%	0.328	C	S	.	.	H	α-helix	trans	-67	-51.4	173.6	-62.8	169.7	0	0	0	110	F453 E454 N455 S459 H460 M462 Y465	F453-I457 HydrophobicContact CD1-CD1 3.79Å; F453-I457 HydrophobicContact CD1-CG1 4.17Å; F453-I457 HydrophobicContact CE1-CD1 3.82Å; F453-I457 HydrophobicContact CE1-CG1 4.15Å; F453-I457 PolarHBondContact O-N 3.44Å; F453-I457 VanDerWaalsContact O-N 3.13Å; E454-I457 WeakPolarHBondContact O-CA 3.47Å; E454-I457 WeakPolarHBondContact O-CB 3.47Å; E454-I457 PolarHBondContact O-N 3.47Å; N455-I457 VanDerWaalsContact C-N 3.31Å; N455-I457 PolarHBondContact O-N 3.06Å; I457-S459 VanDerWaalsContact C-N 3.26Å; I457-S459 PolarHBondContact O-N 3.3Å; I457-H460 PolarHBondContact O-N 3.38Å; I457-M462 HydrophobicContact CG1-CB 4.41Å; I457-M462 HydrophobicContact CG1-CG 3.93Å; I457-Y465 HydrophobicContact CD1-CD1 4.48Å; I457-Y465 HydrophobicContact CD1-CD2 3.79Å; I457-Y465 HydrophobicContact CD1-CE2 3.82Å; I457-Y465 HydrophobicContact CD1-CG 4.14Å; I457-Y465 HydrophobicContact CG1-CD1 4.15Å; I457-Y465 HydrophobicContact CG1-CD2 4.34Å; I457-Y465 HydrophobicContact CG1-CE1 4.21Å; I457-Y465 HydrophobicContact CG1-CE2 4.4Å; I457-Y465 HydrophobicContact CG1-CG 4.22Å; I457-Y465 HydrophobicContact CG2-CE1 4.01Å
458	Y	90.9	Very high	90.7	Very high	171 Å²	171	66.9 Å²	66.9	67%	0.671	33%	0.326	S	S	*	.	H	α-helix	trans	-62.6	-31.6	-177.8	-71.5	-61.5	0	0	0	113.4	E454 N455 H460	E454-Y458 HydrophobicContact CB-CD2 4.33Å; E454-Y458 HydrophobicContact CB-CE2 3.99Å; E454-Y458 WeakPolarHBondContact O-CD2 3.32Å; E454-Y458 PolarHBondContact O-N 2.79Å; N455-Y458 PolarHBondContact O-N 3.46Å; Y458-H460 PolarHBondContact O-N 2.93Å
459	S	90.4	Very high	90.2	Very high	65 Å²	65	70.8 Å²	70.8	46%	0.455	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	5.1	175.8	55.9	0	0	0	0	114	N455 L456 I457 R461	N455-S459 WeakPolarHBondContact O-CB 3.37Å; N455-S459 PolarHBondContact O-N 3.28Å; N455-S459 PolarHBondContact O-OG 3.16Å; L456-S459 WeakPolarHBondContact CA-OG 3.13Å; L456-S459 PolarHBondContact O-OG 3.11Å; I457-S459 VanDerWaalsContact C-N 3.26Å; I457-S459 PolarHBondContact O-N 3.3Å; S459-R461 PolarHBondContact O-N 3.37Å; S459-R461 WeakPolarHBondContact OG-CG 3.29Å
460	H	86.3	Confident	89.6	Confident	138 Å²	138	70.6 Å²	70.6	64%	0.639	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.3	30.6	-176.3	-59.3	-73.6	0	0	0	113.6	I457 Y458	I457-H460 PolarHBondContact O-N 3.38Å; Y458-H460 PolarHBondContact O-N 2.93Å
461	R	89.9	Confident	89.3	Confident	95 Å²	95	67.6 Å²	67.6	36%	0.358	33%	0.334	S	S	.	.			trans	-96.4	-3.3	179.5	-65	-73.1	-75	-152.7	-14.7	113.1	L456 S459 S476 V477 D478	L456-R461 HydrophobicContact CD2-CB 4.12Å; L456-R461 PolarHBondContact O-N 3.21Å; S459-R461 PolarHBondContact O-N 3.37Å; S459-R461 WeakPolarHBondContact OG-CG 3.29Å; R461-S476 CarbonylContact O-C 3.51Å; R461-S476 WeakPolarHBondContact O-CA 3.38Å; R461-S476 WeakPolarHBondContact O-CB 3.34Å; R461-V477 PolarHBondContact O-N 2.94Å; R461-D478 IonicContact CZ-OD1 3.93Å; R461-D478 IonicContact CZ-OD2 3.54Å; R461-D478 IonicContact NE-OD2 2.65Å; R461-D478 PolarHBondContact NE-OD2 3.03Å; R461-D478 IonicContact NH2-OD1 3.68Å; R461-D478 PolarHBondContact NH2-OD1 3.29Å; R461-D478 IonicContact NH2-OD2 2.64Å; R461-D478 PolarHBondContact NH2-OD2 3.15Å
462	M	90.7	Very high	89	Confident	19 Å²	19	62.2 Å²	62.2	9%	0.094	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	118.8	173.2	-66.5	-60.9	-69.5	0	0	110.4	F453 L456 I457 Y465 G474	F453-M462 HydrophobicContact CE1-CE 3.9Å; F453-M462 HydrophobicContact CE2-CE 3.93Å; F453-M462 HydrophobicContact CZ-CE 3.41Å; F453-M462 VanDerWaalsContact CZ-CE 3.41Å; L456-M462 HydrophobicContact CB-CG 3.62Å; L456-M462 HydrophobicContact CB-SD 3.76Å; L456-M462 HydrophobicContact CD1-SD 4.05Å; L456-M462 PolarHBondContact O-N 3.11Å; I457-M462 HydrophobicContact CG1-CB 4.41Å; I457-M462 HydrophobicContact CG1-CG 3.93Å; M462-Y465 HydrophobicContact CB-CD1 4.02Å; M462-G474 VanDerWaalsContact CE-CA 3.43Å
463	L	89	Confident	88.7	Confident	11 Å²	11	59.7 Å²	59.7	6%	0.058	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	-41.3	177	-70	174	0	0	0	111.8	T475 V477 V480 M492 G501 V502 L507	L463-T475 WeakPolarHBondContact CB-O 3.46Å; L463-T475 PolarHBondContact N-O 3.46Å; L463-V477 HydrophobicContact CD1-CG2 4.42Å; L463-V477 HydrophobicContact CD2-CG2 3.61Å; L463-V477 HydrophobicContact CG-CG2 3.75Å; L463-V480 HydrophobicContact CD1-CB 4.45Å; L463-V480 HydrophobicContact CD1-CG2 3.69Å; L463-M492 HydrophobicContact CB-CE 4.5Å; L463-M492 HydrophobicContact CD1-SD 4.39Å; L463-G501 WeakPolarHBondContact CD2-O 3.33Å; L463-V502 HydrophobicContact CB-CG1 4.29Å; L463-V502 HydrophobicContact CD1-CG1 4.12Å; L463-V502 HydrophobicContact CD2-CG1 3.86Å; L463-V502 HydrophobicContact CG-CG1 4.32Å; L463-L507 HydrophobicContact CD1-CD1 4.21Å; L463-L507 HydrophobicContact CD2-CD1 4.14Å
464	E	87.2	Confident	88.4	Confident	4 Å²	4	59.7 Å²	59.7	2%	0.019	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	146.4	174.3	58.4	168.1	-170.3	0	0	108.9	R349 G474 T475 M492 L494 D498	R349-E464 IonicContact CZ-OE1 2.66Å; R349-E464 IonicContact CZ-OE2 3.6Å; R349-E464 IonicContact NE-OE1 3.44Å; R349-E464 VanDerWaalsContact NH1-CD 3.32Å; R349-E464 IonicContact NH1-OE1 3.94Å; R349-E464 PolarHBondContact NH1-OE1 2.94Å; R349-E464 IonicContact NH1-OE2 3.39Å; R349-E464 PolarHBondContact NH1-OE2 3.44Å; R349-E464 IonicContact NH2-OE1 3.35Å; R349-E464 PolarHBondContact NH2-OE1 2.7Å; R349-E464 IonicContact NH2-OE2 2.75Å; R349-E464 PolarHBondContact NH2-OE2 2.83Å; E464-G474 CarbonylContact O-C 3.59Å; E464-G474 WeakPolarHBondContact O-CA 3.43Å; E464-T475 PolarHBondContact O-N 2.77Å; E464-T475 PolarHBondContact OE1-OG1 2.8Å; E464-M492 HydrophobicContact CG-CE 3.64Å; E464-M492 WeakPolarHBondContact OE1-CE 3.36Å; E464-L494 HydrophobicContact CB-CD1 4.07Å; E464-L494 HydrophobicContact CG-CD1 4.2Å; E464-D498 HydrophobicContact CB-CB 4.36Å
465	Y	87.3	Confident	88.4	Confident	103 Å²	103	57.3 Å²	57.3	40%	0.404	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	158.2	173.3	64.4	-86.1	0	0	0	111.6	I457 M462 Y473	I457-Y465 HydrophobicContact CD1-CD1 4.48Å; I457-Y465 HydrophobicContact CD1-CD2 3.79Å; I457-Y465 HydrophobicContact CD1-CE2 3.82Å; I457-Y465 HydrophobicContact CD1-CG 4.14Å; I457-Y465 HydrophobicContact CG1-CD1 4.15Å; I457-Y465 HydrophobicContact CG1-CD2 4.34Å; I457-Y465 HydrophobicContact CG1-CE1 4.21Å; I457-Y465 HydrophobicContact CG1-CE2 4.4Å; I457-Y465 HydrophobicContact CG1-CG 4.22Å; I457-Y465 HydrophobicContact CG2-CE1 4.01Å; M462-Y465 HydrophobicContact CB-CD1 4.02Å; Y465-Y473 CarbonylContact C-O 3.44Å; Y465-Y473 WeakPolarHBondContact CA-O 3.33Å
466	G	84.9	Confident	88.3	Confident	16 Å²	16	53.1 Å²	53.1	17%	0.165	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.5	167.1	177.9	0	0	0	0	0	112	Y473	G466-Y473 PolarHBondContact N-O 3.42Å; G466-Y473 PolarHBondContact O-N 3.04Å
467	E	83.6	Confident	88.4	Confident	124 Å²	124	52.6 Å²	52.6	58%	0.579	26%	0.259	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.7	129.7	-178.7	-166.5	-169.1	144.1	0	0	111.9	C355 G470 H471 L472	C355-E467 WeakPolarHBondContact CB-O 3.47Å; C355-E467 PolarHBondContact SG-O 2.96Å; E467-G470 WeakPolarHBondContact OE1-CA 3.24Å; E467-H471 CarbonylContact C-O 3.59Å; E467-H471 WeakPolarHBondContact CA-O 3.44Å; E467-L472 HydrophobicContact CB-CD2 4.03Å; E467-L472 HydrophobicContact CG-CD2 4.15Å
468	Y	79.8	Confident	88.6	Confident	22 Å²	22	53.4 Å²	53.4	9%	0.086	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	127.3	171.7	180	-120.9	0	0	0	112.2	L354 C355 G470 H471 Y473 Y535	L354-Y468 HydrophobicContact CB-CD1 4.27Å; L354-Y468 HydrophobicContact CB-CD2 3.26Å; L354-Y468 HydrophobicContact CB-CE1 4Å; L354-Y468 HydrophobicContact CB-CE2 2.98Å; L354-Y468 HydrophobicContact CB-CG 3.92Å; L354-Y468 HydrophobicContact CD1-CD1 4.43Å; L354-Y468 HydrophobicContact CD1-CE1 3.62Å; L354-Y468 HydrophobicContact CD1-CE2 4.01Å; L354-Y468 VanDerWaalsContact CD1-OH 3.29Å; L354-Y468 WeakPolarHBondContact CD1-OH 3.34Å; L354-Y468 HydrophobicContact CD2-CE2 4.37Å; L354-Y468 HydrophobicContact CG-CE1 4.41Å; L354-Y468 HydrophobicContact CG-CE2 3.93Å; C355-Y468 WeakPolarHBondContact SG-CB 3.47Å; Y468-G470 PolarHBondContact O-N 3.31Å; Y468-H471 PolarHBondContact N-O 3.43Å; Y468-H471 PolarHBondContact O-N 2.91Å; Y468-Y473 HydrophobicContact CD1-CE2 4.44Å; Y468-Y535 PolarHBondContact OH-OH 2.87Å; Y468-Y535 VanDerWaalsContact OH-OH 3.07Å
469	K	83.9	Confident	88.8	Confident	117 Å²	117	45.6 Å²	45.6	51%	0.509	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.9	43.4	179.6	-76	-179.4	166.9	178.9	0	112.2	H471 Y535	K469-H471 VanDerWaalsContact C-N 3.25Å; K469-H471 PolarHBondContact O-CD2 3.23Å; K469-H471 PolarHBondContact O-N 3.04Å; K469-Y535 PolarHBondContact NZ-OH 3.39Å
470	G	84.4	Confident	89	Confident	55 Å²	55	42.5 Å²	42.5	57%	0.567	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.6	5.9	178.9	0	0	0	0	0	115	E467 Y468	E467-G470 WeakPolarHBondContact OE1-CA 3.24Å; Y468-G470 PolarHBondContact O-N 3.31Å
471	H	89.6	Confident	89.4	Confident	62 Å²	62	38.3 Å²	38.3	29%	0.287	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	143.6	178.5	-59.4	-65.3	0	0	0	110.9	R433 E467 Y468 K469 Y473	R433-H471 HydrophobicContact CB-CB 4Å; E467-H471 CarbonylContact C-O 3.59Å; E467-H471 WeakPolarHBondContact CA-O 3.44Å; Y468-H471 PolarHBondContact N-O 3.43Å; Y468-H471 PolarHBondContact O-N 2.91Å; K469-H471 VanDerWaalsContact C-N 3.25Å; K469-H471 PolarHBondContact O-CD2 3.23Å; K469-H471 PolarHBondContact O-N 3.04Å; H471-Y473 HydrophobicContact CB-CE2 3.81Å; H471-Y473 WeakPolarHBondContact O-CD2 3.48Å; H471-Y473 WeakPolarHBondContact O-CE2 2.83Å
472	L	89.6	Confident	89.7	Confident	25 Å²	25	37.4 Å²	37.4	13%	0.131	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	144.6	176.8	-58.9	172.7	0	0	0	109.5	T431 T432 K450 F453 E467	T431-L472 CarbonylContact C-O 3.57Å; T431-L472 WeakPolarHBondContact CA-O 3.43Å; T431-L472 PolarHBondContact OG1-O 3.44Å; T432-L472 HydrophobicContact CG2-CB 3.9Å; T432-L472 HydrophobicContact CG2-CD1 4.27Å; T432-L472 HydrophobicContact CG2-CG 4.41Å; T432-L472 PolarHBondContact N-O 2.99Å; T432-L472 PolarHBondContact OG1-N 3.13Å; K450-L472 HydrophobicContact CG-CD1 4.26Å; F453-L472 HydrophobicContact CD1-CB 3.85Å; F453-L472 HydrophobicContact CD1-CD1 3.71Å; F453-L472 HydrophobicContact CD1-CG 4.4Å; F453-L472 HydrophobicContact CD2-CB 4.27Å; F453-L472 HydrophobicContact CE1-CB 3.72Å; F453-L472 HydrophobicContact CE1-CD1 4.19Å; F453-L472 HydrophobicContact CE1-CG 4.49Å; F453-L472 HydrophobicContact CE2-CB 4.15Å; F453-L472 HydrophobicContact CG-CB 4.13Å; F453-L472 HydrophobicContact CG-CD1 4.26Å; F453-L472 HydrophobicContact CZ-CB 3.88Å; E467-L472 HydrophobicContact CB-CD2 4.03Å; E467-L472 HydrophobicContact CG-CD2 4.15Å
473	Y	89.6	Confident	89.9	Confident	9 Å²	9	36.6 Å²	36.6	4%	0.035	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	145.2	175	-63.3	-95.3	0	0	0	108.6	S351 M352 H430 T431 R433 Y445 F453 Y465 G466 Y468 H471	S351-Y473 VanDerWaalsContact CB-CE1 3.49Å; S351-Y473 WeakPolarHBondContact OG-CD1 3.36Å; S351-Y473 WeakPolarHBondContact OG-CE1 3.46Å; M352-Y473 WeakPolarHBondContact SD-CB 3.43Å; H430-Y473 WeakPolarHBondContact O-CA 3.39Å; T431-Y473 HydrophobicContact CG2-CE1 4.38Å; T431-Y473 WeakPolarHBondContact OG1-CD1 3.44Å; T431-Y473 WeakPolarHBondContact OG1-CE1 3.49Å; R433-Y473 WeakPolarHBondContact CD-OH 3.4Å; Y445-Y473 HydrophobicContact CD1-CD1 4.15Å; Y445-Y473 AromaticContact CE1-CD1 3.66Å; Y445-Y473 HydrophobicContact CE1-CD1 3.66Å; Y445-Y473 HydrophobicContact CE1-CE1 4.05Å; F453-Y473 VanDerWaalsContact CZ-C 3.43Å; Y465-Y473 CarbonylContact C-O 3.44Å; Y465-Y473 WeakPolarHBondContact CA-O 3.33Å; G466-Y473 PolarHBondContact N-O 3.42Å; G466-Y473 PolarHBondContact O-N 3.04Å; Y468-Y473 HydrophobicContact CD1-CE2 4.44Å; H471-Y473 HydrophobicContact CB-CE2 3.81Å; H471-Y473 WeakPolarHBondContact O-CD2 3.48Å; H471-Y473 WeakPolarHBondContact O-CE2 2.83Å
474	G	89.8	Confident	90.2	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179	169.4	175.8	0	0	0	0	0	113.4	P429 H430 M462 E464	P429-G474 CarbonylContact C-O 3.52Å; P429-G474 WeakPolarHBondContact CA-O 2.95Å; P429-G474 WeakPolarHBondContact CB-O 3.4Å; H430-G474 PolarHBondContact N-O 2.69Å; H430-G474 PolarHBondContact O-N 3.25Å; H430-G474 VanDerWaalsContact O-N 3.08Å; M462-G474 VanDerWaalsContact CE-CA 3.43Å; E464-G474 CarbonylContact O-C 3.59Å; E464-G474 WeakPolarHBondContact O-CA 3.43Å
475	T	92.4	Very high	90.5	Very high	12 Å²	12	40.8 Å²	40.8	7%	0.074	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	124.9	-177.9	-52.4	0	0	0	0	108.6	A427 L463 E464 V480 M492	A427-T475 HydrophobicContact CB-CG2 3.83Å; L463-T475 WeakPolarHBondContact CB-O 3.46Å; L463-T475 PolarHBondContact N-O 3.46Å; E464-T475 PolarHBondContact O-N 2.77Å; E464-T475 PolarHBondContact OE1-OG1 2.8Å; T475-V480 HydrophobicContact CG2-CG2 4.14Å; T475-M492 HydrophobicContact CG2-CE 3.75Å; T475-M492 HydrophobicContact CG2-SD 4Å
476	S	93.8	Very high	90.9	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.007	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	159.2	177.9	67.6	0	0	0	0	111.5	H430 R461 D478 A479 V480	H430-S476 PolarHBondContact CE1-OG 2.82Å; R461-S476 CarbonylContact O-C 3.51Å; R461-S476 WeakPolarHBondContact O-CA 3.38Å; R461-S476 WeakPolarHBondContact O-CB 3.34Å; S476-D478 PolarHBondContact O-N 3.06Å; S476-A479 PolarHBondContact O-N 3.26Å; S476-A479 PolarHBondContact OG-N 2.92Å; S476-V480 PolarHBondContact O-N 3.34Å
477	V	93.2	Very high	91.3	Very high	19 Å²	19	42.2 Å²	42.2	12%	0.115	24%	0.238	C	C	.	.	H	α-helix	trans	-56.9	-41.9	171.7	-179.2	0	0	0	0	110.3	R461 L463 A479 V480 Q481	R461-V477 PolarHBondContact O-N 2.94Å; L463-V477 HydrophobicContact CD1-CG2 4.42Å; L463-V477 HydrophobicContact CD2-CG2 3.61Å; L463-V477 HydrophobicContact CG-CG2 3.75Å; V477-A479 VanDerWaalsContact C-N 3.34Å; V477-A479 PolarHBondContact O-N 2.72Å; V477-V480 WeakPolarHBondContact O-CB 3.34Å; V477-V480 PolarHBondContact O-N 3.38Å; V477-V480 VanDerWaalsContact O-N 3.15Å; V477-Q481 HydrophobicContact CG1-CG 4.17Å; V477-Q481 WeakPolarHBondContact O-CG 3.36Å; V477-Q481 PolarHBondContact O-N 3.19Å
478	D	94.1	Very high	91.9	Very high	54 Å²	54	38.5 Å²	38.5	29%	0.289	22%	0.22	S	C	.	.	H	α-helix	trans	-60.8	-39.5	179.6	-69.1	-49.1	0	0	0	113.5	R461 S476 V480 Q481 T482	R461-D478 IonicContact CZ-OD1 3.93Å; R461-D478 IonicContact CZ-OD2 3.54Å; R461-D478 IonicContact NE-OD2 2.65Å; R461-D478 PolarHBondContact NE-OD2 3.03Å; R461-D478 IonicContact NH2-OD1 3.68Å; R461-D478 PolarHBondContact NH2-OD1 3.29Å; R461-D478 IonicContact NH2-OD2 2.64Å; R461-D478 PolarHBondContact NH2-OD2 3.15Å; S476-D478 PolarHBondContact O-N 3.06Å; D478-V480 VanDerWaalsContact C-N 3.27Å; D478-V480 PolarHBondContact O-N 2.89Å; D478-Q481 PolarHBondContact O-N 2.84Å; D478-T482 WeakPolarHBondContact O-CB 3.22Å; D478-T482 PolarHBondContact O-N 3.47Å; D478-T482 PolarHBondContact O-OG1 2.88Å
479	A	94.6	Very high	92.7	Very high	6 Å²	6	37.6 Å²	37.6	5%	0.05	22%	0.217	C	C	.	.	H	α-helix	trans	-64	-36.1	178.2	0	0	0	0	0	111.6	A427 V428 S476 V477	A427-A479 HydrophobicContact CB-CB 4.03Å; V428-A479 VanDerWaalsContact O-CB 3.24Å; V428-A479 WeakPolarHBondContact O-CB 3.45Å; S476-A479 PolarHBondContact O-N 3.26Å; S476-A479 PolarHBondContact OG-N 2.92Å; V477-A479 VanDerWaalsContact C-N 3.34Å; V477-A479 PolarHBondContact O-N 2.72Å
480	V	95.3	Very high	93.3	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-71.6	-47.7	174.1	175.1	0	0	0	0	110.6	L398 A427 L463 T475 S476 V477 D478 T482 V483 L484 C490 M492 L507	L398-V480 HydrophobicContact CD1-CG1 3.78Å; L398-V480 HydrophobicContact CD2-CG1 4.22Å; L398-V480 HydrophobicContact CG-CG1 4.47Å; A427-V480 HydrophobicContact CB-CG2 3.81Å; L463-V480 HydrophobicContact CD1-CB 4.45Å; L463-V480 HydrophobicContact CD1-CG2 3.69Å; T475-V480 HydrophobicContact CG2-CG2 4.14Å; S476-V480 PolarHBondContact O-N 3.34Å; V477-V480 WeakPolarHBondContact O-CB 3.34Å; V477-V480 PolarHBondContact O-N 3.38Å; V477-V480 VanDerWaalsContact O-N 3.15Å; D478-V480 VanDerWaalsContact C-N 3.27Å; D478-V480 PolarHBondContact O-N 2.89Å; V480-T482 VanDerWaalsContact C-N 3.25Å; V480-T482 PolarHBondContact O-N 3.2Å; V480-V483 PolarHBondContact O-N 3.14Å; V480-V483 VanDerWaalsContact O-N 3.14Å; V480-L484 HydrophobicContact CG1-CD1 4.16Å; V480-L484 HydrophobicContact CG1-CG 4.43Å; V480-L484 PolarHBondContact O-N 2.97Å; V480-C490 HydrophobicContact CG1-CB 4.32Å; V480-M492 HydrophobicContact CG2-SD 3.96Å; V480-L507 HydrophobicContact CB-CD2 4.44Å; V480-L507 HydrophobicContact CG1-CD2 3.72Å
481	Q	94.6	Very high	93.9	Very high	50 Å²	50	29.4 Å²	29.4	23%	0.234	17%	0.166	C	C	.	.	H	α-helix	trans	-59.3	-36.6	-179.8	-74.7	-179	-7.9	0	0	112.5	V477 D478 V483 L484 V485 E506	V477-Q481 HydrophobicContact CG1-CG 4.17Å; V477-Q481 WeakPolarHBondContact O-CG 3.36Å; V477-Q481 PolarHBondContact O-N 3.19Å; D478-Q481 PolarHBondContact O-N 2.84Å; Q481-V483 VanDerWaalsContact C-N 3.31Å; Q481-V483 PolarHBondContact O-N 3.41Å; Q481-L484 PolarHBondContact O-N 3.28Å; Q481-V485 WeakPolarHBondContact O-CB 3.39Å; Q481-V485 VanDerWaalsContact O-CG2 3.3Å; Q481-V485 WeakPolarHBondContact O-CG2 3.2Å; Q481-V485 PolarHBondContact O-N 3.14Å; Q481-E506 PolarHBondContact NE2-OE2 2.98Å
482	T	95.2	Very high	94	Very high	76 Å²	76	26.7 Å²	26.7	47%	0.466	15%	0.153	S	C	.	.	H	α-helix	trans	-55.3	-47.6	176.2	-58.9	0	0	0	0	110.9	D478 V480 L484 V485 E486	D478-T482 WeakPolarHBondContact O-CB 3.22Å; D478-T482 PolarHBondContact O-N 3.47Å; D478-T482 PolarHBondContact O-OG1 2.88Å; V480-T482 VanDerWaalsContact C-N 3.25Å; V480-T482 PolarHBondContact O-N 3.2Å; T482-L484 PolarHBondContact O-N 3.45Å; T482-V485 PolarHBondContact O-N 2.86Å; T482-E486 WeakPolarHBondContact O-CG 3.2Å; T482-E486 PolarHBondContact O-N 3.09Å; T482-E486 VanDerWaalsContact O-N 3.09Å
483	V	95.6	Very high	94	Very high	2 Å²	2	25.7 Å²	25.7	1%	0.012	15%	0.148	C	C	.	.	H	α-helix	trans	-65	-40.3	178.5	-179.7	0	0	0	0	111.8	Q425 V480 Q481 E486 K488 C490	Q425-V483 HydrophobicContact CB-CG1 3.73Å; Q425-V483 HydrophobicContact CG-CG1 4.04Å; Q425-V483 HydrophobicContact CG-CG2 4.05Å; V480-V483 PolarHBondContact O-N 3.14Å; V480-V483 VanDerWaalsContact O-N 3.14Å; Q481-V483 VanDerWaalsContact C-N 3.31Å; Q481-V483 PolarHBondContact O-N 3.41Å; V483-E486 PolarHBondContact O-N 2.81Å; V483-K488 HydrophobicContact CG1-CB 3.98Å; V483-K488 PolarHBondContact O-N 3.44Å; V483-C490 HydrophobicContact CB-CB 4Å; V483-C490 HydrophobicContact CG1-CB 3.75Å
484	L	94.5	Very high	93.9	Very high	7 Å²	7	25.5 Å²	25.5	4%	0.037	15%	0.148	C	C	.	.	H	α-helix	trans	-69.1	-35.3	179.9	-63.1	-177.6	0	0	0	112.4	Y396 V480 Q481 T482 G487 C490 L507	Y396-L484 WeakPolarHBondContact O-CD2 3.23Å; V480-L484 HydrophobicContact CG1-CD1 4.16Å; V480-L484 HydrophobicContact CG1-CG 4.43Å; V480-L484 PolarHBondContact O-N 2.97Å; Q481-L484 PolarHBondContact O-N 3.28Å; T482-L484 PolarHBondContact O-N 3.45Å; L484-G487 PolarHBondContact O-N 3.18Å; L484-C490 HydrophobicContact CD2-CB 3.72Å; L484-C490 HydrophobicContact CG-CB 4.24Å; L484-L507 HydrophobicContact CD1-CD2 4.1Å
485	V	94.9	Very high	93.5	Very high	97 Å²	97	27.2 Å²	27.2	59%	0.588	16%	0.156	S	C	*	.	H	α-helix	trans	-70.4	-32.5	175.8	169.7	0	0	0	0	111.6	Q481 T482 G487	Q481-V485 WeakPolarHBondContact O-CB 3.39Å; Q481-V485 VanDerWaalsContact O-CG2 3.3Å; Q481-V485 WeakPolarHBondContact O-CG2 3.2Å; Q481-V485 PolarHBondContact O-N 3.14Å; T482-V485 PolarHBondContact O-N 2.86Å; V485-G487 PolarHBondContact O-N 3.18Å; V485-G487 VanDerWaalsContact O-N 3.1Å
486	E	94.7	Very high	92.9	Very high	104 Å²	104	27.2 Å²	27.2	49%	0.486	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-2.9	171.2	-73.2	176	-167.7	0	0	113.6	Q425 T482 V483 K488	Q425-E486 PolarHBondContact NE2-OE2 3.09Å; T482-E486 WeakPolarHBondContact O-CG 3.2Å; T482-E486 PolarHBondContact O-N 3.09Å; T482-E486 VanDerWaalsContact O-N 3.09Å; V483-E486 PolarHBondContact O-N 2.81Å; E486-K488 IonicContact OE2-NZ 3.19Å
487	G	94.4	Very high	92.3	Very high	44 Å²	44	32.4 Å²	32.4	45%	0.454	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.9	28.5	-179.9	0	0	0	0	0	113	Y396 L484 V485	Y396-G487 VanDerWaalsContact CE2-O 3.26Å; Y396-G487 WeakPolarHBondContact CE2-O 3.15Å; L484-G487 PolarHBondContact O-N 3.18Å; V485-G487 PolarHBondContact O-N 3.18Å; V485-G487 VanDerWaalsContact O-N 3.1Å
488	K	95.6	Very high	91.9	Very high	47 Å²	47	33.5 Å²	33.5	20%	0.204	19%	0.185	C	C	.	.			trans	-112.5	155.7	176.3	-63	-177.7	-172.8	173.3	0	111.3	Q425 V483 E486 C490	Q425-K488 HydrophobicContact CB-CB 4.46Å; Q425-K488 HydrophobicContact CB-CD 3.98Å; V483-K488 HydrophobicContact CG1-CB 3.98Å; V483-K488 PolarHBondContact O-N 3.44Å; E486-K488 IonicContact OE2-NZ 3.19Å; K488-C490 PolarHBondContact O-N 2.84Å
489	I	96.6	Very high	91.6	Very high	2 Å²	2	31 Å²	31	1%	0.01	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	112.8	171.8	-60.7	-177.3	0	0	0	108.3	Y396 I399 H423 F424 Q425 V491 I584 Q588	Y396-I489 HydrophobicContact CD1-CD1 4.11Å; Y396-I489 HydrophobicContact CD1-CG1 3.7Å; Y396-I489 HydrophobicContact CD2-CG1 3.92Å; Y396-I489 HydrophobicContact CE1-CD1 4.27Å; Y396-I489 HydrophobicContact CE1-CG1 4.12Å; Y396-I489 HydrophobicContact CE2-CG1 4.32Å; Y396-I489 HydrophobicContact CG-CD1 4.48Å; Y396-I489 HydrophobicContact CG-CG1 3.59Å; I399-I489 HydrophobicContact CB-CG2 4.42Å; I399-I489 HydrophobicContact CG1-CG2 3.52Å; H423-I489 WeakPolarHBondContact NE2-CD1 3.47Å; H423-I489 PolarHBondContact O-N 3.07Å; F424-I489 HydrophobicContact CD1-CB 3.85Å; F424-I489 HydrophobicContact CD1-CD1 4.41Å; F424-I489 HydrophobicContact CD1-CG2 4.07Å; F424-I489 HydrophobicContact CE1-CB 4.17Å; F424-I489 HydrophobicContact CE1-CD1 3.87Å; F424-I489 HydrophobicContact CE1-CG2 4.27Å; Q425-I489 PolarHBondContact N-O 3.33Å; I489-V491 HydrophobicContact CG2-CG2 4.21Å; I489-V491 PolarHBondContact O-N 2.95Å; I489-I584 HydrophobicContact CD1-CG2 3.81Å; I489-I584 HydrophobicContact CG2-CG2 4.31Å; I489-Q588 HydrophobicContact CD1-CG 3.88Å
490	C	96.9	Very high	91.1	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	121.2	172.5	-173.3	0	0	0	0	110	L398 I399 Q425 V480 V483 L484 K488	L398-C490 HydrophobicContact CD1-CB 3.88Å; I399-C490 PolarHBondContact N-O 3.04Å; Q425-C490 CarbonylContact O-C 3.43Å; Q425-C490 VanDerWaalsContact O-CA 3.29Å; Q425-C490 WeakPolarHBondContact O-CA 3.45Å; V480-C490 HydrophobicContact CG1-CB 4.32Å; V483-C490 HydrophobicContact CB-CB 4Å; V483-C490 HydrophobicContact CG1-CB 3.75Å; L484-C490 HydrophobicContact CD2-CB 3.72Å; L484-C490 HydrophobicContact CG-CB 4.24Å; K488-C490 PolarHBondContact O-N 2.84Å
491	V	96.1	Very high	90.7	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	115.9	175.5	-171	0	0	0	0	109.3	I399 L401 R413 L416 F424 Q425 S426 I489	I399-V491 HydrophobicContact CB-CG2 4.33Å; I399-V491 HydrophobicContact CG2-CG1 4.28Å; L401-V491 HydrophobicContact CD1-CG1 3.87Å; L401-V491 HydrophobicContact CG-CG1 4.08Å; R413-V491 HydrophobicContact CG-CB 4.39Å; R413-V491 HydrophobicContact CG-CG1 3.88Å; L416-V491 HydrophobicContact CD2-CG1 4.25Å; L416-V491 HydrophobicContact CD2-CG2 3.85Å; F424-V491 HydrophobicContact CB-CG2 4.48Å; F424-V491 HydrophobicContact CD1-CG2 4.01Å; Q425-V491 PolarHBondContact O-N 3.32Å; S426-V491 PolarHBondContact OG-O 2.88Å; I489-V491 HydrophobicContact CG2-CG2 4.21Å; I489-V491 PolarHBondContact O-N 2.95Å
492	M	92.4	Very high	90.5	Very high	6 Å²	6	33.1 Å²	33.1	3%	0.03	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	129.7	-175.1	175.2	168.1	-176.1	0	0	108.6	L398 I399 V400 L401 L463 E464 T475 V480 L494	L398-M492 HydrophobicContact CD1-CB 4.13Å; I399-M492 PolarHBondContact O-N 3.15Å; V400-M492 CarbonylContact C-O 3.52Å; V400-M492 VanDerWaalsContact CA-O 3.25Å; V400-M492 WeakPolarHBondContact CA-O 3.25Å; L401-M492 PolarHBondContact N-O 3.29Å; L463-M492 HydrophobicContact CB-CE 4.5Å; L463-M492 HydrophobicContact CD1-SD 4.39Å; E464-M492 HydrophobicContact CG-CE 3.64Å; E464-M492 WeakPolarHBondContact OE1-CE 3.36Å; T475-M492 HydrophobicContact CG2-CE 3.75Å; T475-M492 HydrophobicContact CG2-SD 4Å; V480-M492 HydrophobicContact CG2-SD 3.96Å; M492-L494 HydrophobicContact CE-CD1 3.89Å
493	D	89.9	Confident	90.3	Very high	4 Å²	4	30.7 Å²	30.7	2%	0.021	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	157	161.1	52.3	-18.5	0	0	0	109.2	R349 L401 V409 N410 R413	R349-D493 VanDerWaalsContact CD-CG 3.49Å; R349-D493 WeakPolarHBondContact CD-OD1 3.38Å; R349-D493 WeakPolarHBondContact CD-OD2 3.33Å; R349-D493 WeakPolarHBondContact CG-OD2 3.27Å; R349-D493 IonicContact CZ-OD1 3.13Å; R349-D493 IonicContact CZ-OD2 3.83Å; R349-D493 IonicContact NE-OD1 2.8Å; R349-D493 PolarHBondContact NE-OD1 3.3Å; R349-D493 IonicContact NE-OD2 2.83Å; R349-D493 PolarHBondContact NE-OD2 2.79Å; R349-D493 PolarHBondContact NH2-O 3.48Å; R349-D493 IonicContact NH2-OD1 3.4Å; L401-D493 HydrophobicContact CB-CB 4.46Å; L401-D493 CarbonylContact O-C 3.48Å; L401-D493 WeakPolarHBondContact O-CA 3.44Å; V409-D493 HydrophobicContact CG1-CB 3.65Å; N410-D493 PolarHBondContact OD1-OD2 3.03Å; N410-D493 VanDerWaalsContact OD1-OD2 3.13Å; R413-D493 IonicContact CZ-OD1 3.73Å; R413-D493 IonicContact NE-OD1 3.68Å; R413-D493 IonicContact NH1-OD1 3.45Å; R413-D493 PolarHBondContact NH1-OD1 3.08Å; R413-D493 IonicContact NH2-OD1 2.95Å; R413-D493 PolarHBondContact NH2-OD1 3.25Å; R413-D493 IonicContact NH2-OD2 2.68Å; R413-D493 PolarHBondContact NH2-OD2 3.09Å
494	L	87.3	Confident	90.1	Very high	5 Å²	5	32.7 Å²	32.7	3%	0.026	19%	0.186	C	C	.	.			trans	-148	152.6	179.1	-170.2	70.7	0	0	0	110.6	V400 L401 M402 E464 M492 D498 V502	V400-L494 HydrophobicContact CG1-CB 3.54Å; V400-L494 HydrophobicContact CG1-CD2 3.99Å; V400-L494 HydrophobicContact CG1-CG 4.43Å; L401-L494 PolarHBondContact O-N 2.77Å; M402-L494 HydrophobicContact CE-CB 4.05Å; M402-L494 HydrophobicContact CE-CD2 3.76Å; M402-L494 HydrophobicContact CE-CG 4.21Å; E464-L494 HydrophobicContact CB-CD1 4.07Å; E464-L494 HydrophobicContact CG-CD1 4.2Å; M492-L494 HydrophobicContact CE-CD1 3.89Å; L494-D498 HydrophobicContact CD1-CB 3.79Å; L494-D498 HydrophobicContact CD2-CB 4.44Å; L494-D498 HydrophobicContact CG-CB 4.07Å; L494-V502 HydrophobicContact CD1-CG1 4.26Å; L494-V502 HydrophobicContact CD2-CB 4.24Å; L494-V502 HydrophobicContact CD2-CG1 3.67Å; L494-V502 HydrophobicContact CD2-CG2 3.46Å; L494-V502 VanDerWaalsContact CD2-CG2 3.46Å
495	E	80.6	Confident	89.8	Confident	36 Å²	36	36.3 Å²	36.3	17%	0.168	20%	0.203	C	C	.	.			trans	-83.2	147.7	169	-62.7	-171.7	-150.8	0	0	111	R356 Q497 D498	R356-E495 WeakPolarHBondContact CD-OE1 3.41Å; R356-E495 WeakPolarHBondContact CG-OE1 3.38Å; R356-E495 IonicContact CZ-OE1 2.72Å; R356-E495 IonicContact NE-OE1 3.88Å; R356-E495 PolarHBondContact NE-OE1 3.26Å; R356-E495 IonicContact NH2-OE1 3.37Å; E495-Q497 VanDerWaalsContact C-N 3.26Å; E495-Q497 VanDerWaalsContact CB-NE2 3.32Å; E495-Q497 PolarHBondContact O-N 2.88Å; E495-Q497 PolarHBondContact OE2-NE2 3.12Å; E495-D498 PolarHBondContact O-N 3.39Å
496	P	81.3	Confident	89.6	Confident	12 Å²	12	36.8 Å²	36.8	8%	0.078	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-58.6	-35.5	-175	-25.7	35	0	0	0	114.2	D498 I499 M556 F560	P496-D498 PolarHBondContact O-N 2.62Å; P496-I499 WeakPolarHBondContact O-CB 3.36Å; P496-I499 WeakPolarHBondContact O-CG2 3.39Å; P496-I499 PolarHBondContact O-N 3.05Å; P496-M556 HydrophobicContact CG-CE 3.18Å; P496-M556 HydrophobicContact CG-CG 4.12Å; P496-M556 HydrophobicContact CG-SD 4.48Å; P496-F560 HydrophobicContact CB-CB 4.48Å; P496-F560 HydrophobicContact CB-CD1 3.89Å; P496-F560 HydrophobicContact CB-CD2 3.38Å; P496-F560 HydrophobicContact CB-CE1 3.87Å; P496-F560 HydrophobicContact CB-CE2 3.37Å; P496-F560 HydrophobicContact CB-CG 3.66Å; P496-F560 HydrophobicContact CB-CZ 3.62Å; P496-F560 HydrophobicContact CG-CD2 4.29Å; P496-F560 HydrophobicContact CG-CE2 4.33Å; P496-F560 WeakPolarHBondContact O-CE1 3.46Å
497	Q	81.3	Confident	89.5	Confident	110 Å²	110	31.9 Å²	31.9	51%	0.514	18%	0.176	S	C	.	.	G	3₁₀ helix	trans	-65	-25.5	179.7	63.8	-88.6	8.1	0	0	113.5	E495 I499	E495-Q497 VanDerWaalsContact C-N 3.26Å; E495-Q497 VanDerWaalsContact CB-NE2 3.32Å; E495-Q497 PolarHBondContact O-N 2.88Å; E495-Q497 PolarHBondContact OE2-NE2 3.12Å; Q497-I499 VanDerWaalsContact C-N 3.33Å
498	D	84.8	Confident	89.5	Confident	41 Å²	41	31.3 Å²	31.3	22%	0.219	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-90.6	-0	-176.3	-57.9	-41.6	0	0	0	112.3	E464 L494 E495 P496 Q500 G501	E464-D498 HydrophobicContact CB-CB 4.36Å; L494-D498 HydrophobicContact CD1-CB 3.79Å; L494-D498 HydrophobicContact CD2-CB 4.44Å; L494-D498 HydrophobicContact CG-CB 4.07Å; E495-D498 PolarHBondContact O-N 3.39Å; P496-D498 PolarHBondContact O-N 2.62Å; D498-Q500 PolarHBondContact O-N 3.34Å; D498-Q500 VanDerWaalsContact O-N 3.13Å; D498-G501 PolarHBondContact O-N 3.02Å
499	I	87.5	Confident	89.5	Confident	2 Å²	2	29.1 Å²	29.1	1%	0.01	15%	0.151	C	C	.	.	H	α-helix	trans	-57.4	-32.5	-175.5	-160.7	165.3	0	0	0	113.5	M402 P496 Q497 G501 V502 R503 V511 F560 F563	M402-I499 HydrophobicContact CE-CB 3.81Å; M402-I499 HydrophobicContact CE-CD1 3.41Å; M402-I499 VanDerWaalsContact CE-CD1 3.41Å; M402-I499 HydrophobicContact CE-CG1 3.5Å; M402-I499 HydrophobicContact SD-CD1 3.96Å; P496-I499 WeakPolarHBondContact O-CB 3.36Å; P496-I499 WeakPolarHBondContact O-CG2 3.39Å; P496-I499 PolarHBondContact O-N 3.05Å; Q497-I499 VanDerWaalsContact C-N 3.33Å; I499-G501 VanDerWaalsContact C-N 3.32Å; I499-G501 PolarHBondContact O-N 3.2Å; I499-V502 WeakPolarHBondContact O-CG2 3.44Å; I499-V502 PolarHBondContact O-N 3.13Å; I499-R503 VanDerWaalsContact O-CG 3.24Å; I499-R503 WeakPolarHBondContact O-CG 2.97Å; I499-R503 PolarHBondContact O-N 3.49Å; I499-V511 HydrophobicContact CD1-CG1 4.16Å; I499-V511 HydrophobicContact CD1-CG2 4.26Å; I499-F560 HydrophobicContact CG2-CD1 4.45Å; I499-F563 HydrophobicContact CD1-CB 3.21Å; I499-F563 HydrophobicContact CD1-CD2 4.04Å; I499-F563 HydrophobicContact CD1-CG 3.77Å; I499-F563 HydrophobicContact CG1-CB 4.29Å; I499-F563 HydrophobicContact CG2-CD2 4.05Å; I499-F563 HydrophobicContact CG2-CE2 4.26Å; I499-F563 HydrophobicContact CG2-CG 4.44Å
500	Q	84.3	Confident	89.6	Confident	61 Å²	61	29.2 Å²	29.2	29%	0.285	15%	0.152	S	C	.	.	H	α-helix	trans	-67.8	-35.7	179.3	-65.4	-57.2	-38.6	0	0	111.6	V378 D498 V502 R503	V378-Q500 HydrophobicContact CG2-CG 3.84Å; D498-Q500 PolarHBondContact O-N 3.34Å; D498-Q500 VanDerWaalsContact O-N 3.13Å; Q500-V502 PolarHBondContact O-N 3.12Å; Q500-R503 PolarHBondContact O-N 2.87Å
501	G	85.4	Confident	89.6	Confident	40 Å²	40	29.3 Å²	29.3	41%	0.412	15%	0.152	S	C	.	.	H	α-helix	trans	-63.8	-30.2	-179.5	0	0	0	0	0	113.1	L463 D498 I499	L463-G501 WeakPolarHBondContact CD2-O 3.33Å; D498-G501 PolarHBondContact O-N 3.02Å; I499-G501 VanDerWaalsContact C-N 3.32Å; I499-G501 PolarHBondContact O-N 3.2Å
502	V	90.6	Very high	89.7	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-88.5	-15.2	178.8	-62.1	0	0	0	0	113.9	L398 V400 L463 L494 I499 Q500 T504 P509	L398-V502 HydrophobicContact CD2-CB 4.35Å; L398-V502 HydrophobicContact CD2-CG1 4.44Å; V400-V502 HydrophobicContact CG2-CG2 4.39Å; L463-V502 HydrophobicContact CB-CG1 4.29Å; L463-V502 HydrophobicContact CD1-CG1 4.12Å; L463-V502 HydrophobicContact CD2-CG1 3.86Å; L463-V502 HydrophobicContact CG-CG1 4.32Å; L494-V502 HydrophobicContact CD1-CG1 4.26Å; L494-V502 HydrophobicContact CD2-CB 4.24Å; L494-V502 HydrophobicContact CD2-CG1 3.67Å; L494-V502 HydrophobicContact CD2-CG2 3.46Å; L494-V502 VanDerWaalsContact CD2-CG2 3.46Å; I499-V502 WeakPolarHBondContact O-CG2 3.44Å; I499-V502 PolarHBondContact O-N 3.13Å; Q500-V502 PolarHBondContact O-N 3.12Å; V502-T504 PolarHBondContact O-N 3.13Å; V502-P509 HydrophobicContact CG2-CB 4.42Å; V502-P509 HydrophobicContact CG2-CG 4.25Å; V502-P509 VanDerWaalsContact O-CD 3.23Å; V502-P509 WeakPolarHBondContact O-CD 3.47Å; V502-P509 VanDerWaalsContact O-CG 3.31Å; V502-P509 WeakPolarHBondContact O-CG 3.49Å
503	R	91.6	Very high	89.9	Confident	24 Å²	24	29 Å²	29	9%	0.091	15%	0.15	C	C	.	.			trans	-79.8	61.1	-174.8	-78.6	174.6	66.8	83.5	-1.5	112.4	E383 I499 Q500 P509 W598	E383-R503 IonicContact OE1-CZ 3.49Å; E383-R503 IonicContact OE1-NH2 2.59Å; E383-R503 PolarHBondContact OE1-NH2 3.32Å; E383-R503 IonicContact OE2-NH2 2.75Å; E383-R503 PolarHBondContact OE2-NH2 3.37Å; I499-R503 VanDerWaalsContact O-CG 3.24Å; I499-R503 WeakPolarHBondContact O-CG 2.97Å; I499-R503 PolarHBondContact O-N 3.49Å; Q500-R503 PolarHBondContact O-N 2.87Å; R503-P509 HydrophobicContact CG-CG 4.12Å; R503-W598 HydrophobicContact CB-CZ2 3.89Å; R503-W598 HydrophobicContact CG-CZ2 4.1Å; R503-W598 PolarHBondContact O-NE1 2.96Å
504	T	90.6	Very high	90.2	Very high	45 Å²	45	28.8 Å²	28.8	28%	0.276	15%	0.149	S	C	.	.			trans	-109	157.3	-178.6	70	0	0	0	0	112	V502 E506 L507 K508	V502-T504 PolarHBondContact O-N 3.13Å; T504-E506 PolarHBondContact O-N 3.12Å; T504-L507 PolarHBondContact O-N 3.37Å; T504-L507 WeakPolarHBondContact OG1-CG 3.31Å; T504-L507 PolarHBondContact OG1-N 2.83Å; T504-K508 PolarHBondContact O-N 3.24Å
505	H	89.9	Confident	90.6	Very high	82 Å²	82	31.2 Å²	31.2	38%	0.38	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-24.7	174.2	76.5	-82	0	0	0	112.5	K508 W598	H505-K508 WeakPolarHBondContact O-CE 3.33Å; H505-K508 WeakPolarHBondContact O-CG 3.13Å; H505-K508 PolarHBondContact O-NZ 3.21Å; H505-W598 HydrophobicContact CB-CB 4.24Å
506	E	89.9	Confident	91.1	Very high	107 Å²	107	30 Å²	30	50%	0.5	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-44.3	178.8	-59.3	179.8	179.7	0	0	112.4	Q481 T504	Q481-E506 PolarHBondContact NE2-OE2 2.98Å; T504-E506 PolarHBondContact O-N 3.12Å
507	L	92.9	Very high	91.5	Very high	2 Å²	2	30 Å²	30	1%	0.01	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-28.6	-173.7	-63.2	179.2	0	0	0	112.7	L398 L463 V480 L484 T504 P509	L398-L507 HydrophobicContact CB-CB 4.4Å; L398-L507 HydrophobicContact CD2-CB 4.26Å; L398-L507 HydrophobicContact CD2-CD1 4.17Å; L398-L507 PolarHBondContact N-O 3.43Å; L398-L507 VanDerWaalsContact N-O 3.14Å; L463-L507 HydrophobicContact CD1-CD1 4.21Å; L463-L507 HydrophobicContact CD2-CD1 4.14Å; V480-L507 HydrophobicContact CB-CD2 4.44Å; V480-L507 HydrophobicContact CG1-CD2 3.72Å; L484-L507 HydrophobicContact CD1-CD2 4.1Å; T504-L507 PolarHBondContact O-N 3.37Å; T504-L507 WeakPolarHBondContact OG1-CG 3.31Å; T504-L507 PolarHBondContact OG1-N 2.83Å; L507-P509 VanDerWaalsContact C-N 3.3Å
508	K	94.5	Very high	91.8	Very high	31 Å²	31	28.8 Å²	28.8	14%	0.135	15%	0.152	C	C	.	.			trans	38	55.1	-178.2	-61	-175	166.5	77.8	0	112.2	Y388 R397 T504 H505 W598	Y388-K508 HydrophobicContact CD1-CD 4.47Å; Y388-K508 HydrophobicContact CE1-CD 3.86Å; Y388-K508 HydrophobicContact CE2-CD 4.31Å; R397-K508 WeakPolarHBondContact CB-O 3.37Å; R397-K508 HydrophobicContact CG-CB 4.34Å; R397-K508 PolarHBondContact NE-O 2.77Å; R397-K508 PolarHBondContact NH2-O 3.02Å; T504-K508 PolarHBondContact O-N 3.24Å; H505-K508 WeakPolarHBondContact O-CE 3.33Å; H505-K508 WeakPolarHBondContact O-CG 3.13Å; H505-K508 PolarHBondContact O-NZ 3.21Å; K508-W598 HydrophobicContact CB-CE3 3.83Å; K508-W598 HydrophobicContact CB-CZ3 4.04Å; K508-W598 WeakPolarHBondContact CE-O 3.39Å; K508-W598 HydrophobicContact CG-CD2 4.44Å; K508-W598 HydrophobicContact CG-CE3 3.87Å; K508-W598 PolarHBondContact NZ-O 3.22Å
509	P	96.1	Very high	91.8	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.006	15%	0.149	C	C	.	.			trans	-58.1	151.8	-168.2	26.8	-37.5	0	0	0	112	R397 L398 V400 V502 R503 L507 W598	R397-P509 PolarHBondContact NH2-O 3.28Å; L398-P509 HydrophobicContact CB-CB 4.47Å; L398-P509 HydrophobicContact CD2-CB 4.4Å; L398-P509 CarbonylContact O-C 3.33Å; L398-P509 WeakPolarHBondContact O-CA 3.25Å; V400-P509 HydrophobicContact CG2-CB 3.83Å; V502-P509 HydrophobicContact CG2-CB 4.42Å; V502-P509 HydrophobicContact CG2-CG 4.25Å; V502-P509 VanDerWaalsContact O-CD 3.23Å; V502-P509 WeakPolarHBondContact O-CD 3.47Å; V502-P509 VanDerWaalsContact O-CG 3.31Å; V502-P509 WeakPolarHBondContact O-CG 3.49Å; R503-P509 HydrophobicContact CG-CG 4.12Å; L507-P509 VanDerWaalsContact C-N 3.3Å; P509-W598 HydrophobicContact CG-CH2 3.89Å; P509-W598 HydrophobicContact CG-CZ2 4.33Å
510	Y	97.4	Very high	91.5	Very high	5 Å²	5	38.5 Å²	38.5	2%	0.02	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	113.1	166.5	-168.9	-94.7	0	0	0	108.2	L398 I399 V400 I512 D565 H566 A587 Q592	L398-Y510 PolarHBondContact O-N 3.12Å; I399-Y510 HydrophobicContact CD1-CD1 4.44Å; V400-Y510 PolarHBondContact N-O 3.45Å; Y510-I512 HydrophobicContact CD1-CD1 4.05Å; Y510-I512 HydrophobicContact CD1-CG1 3.7Å; Y510-I512 HydrophobicContact CE1-CD1 4.17Å; Y510-I512 HydrophobicContact CE1-CG1 3.82Å; Y510-D565 WeakPolarHBondContact CA-OD2 3.39Å; Y510-D565 HydrophobicContact CD1-CB 4.32Å; Y510-D565 HydrophobicContact CD2-CB 3.69Å; Y510-D565 HydrophobicContact CE1-CB 4.09Å; Y510-D565 HydrophobicContact CE2-CB 3.43Å; Y510-D565 VanDerWaalsContact CE2-CB 3.43Å; Y510-D565 HydrophobicContact CG-CB 4.14Å; Y510-H566 HydrophobicContact CE1-CB 4.03Å; Y510-A587 HydrophobicContact CD1-CB 3.45Å; Y510-A587 VanDerWaalsContact CD1-CB 3.45Å; Y510-A587 HydrophobicContact CD2-CB 3.55Å; Y510-A587 HydrophobicContact CE1-CB 3.77Å; Y510-A587 HydrophobicContact CE2-CB 3.87Å; Y510-A587 HydrophobicContact CG-CB 3.32Å; Y510-Q592 HydrophobicContact CD2-CG 4.47Å; Y510-Q592 HydrophobicContact CE2-CG 4.03Å
511	V	97.1	Very high	91.5	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.006	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	114.3	-168.8	-173.9	0	0	0	0	110	V400 M402 I499 F563 F564 D565 H566	V400-V511 HydrophobicContact CB-CG2 4.27Å; V400-V511 HydrophobicContact CG1-CG1 4.48Å; M402-V511 HydrophobicContact CE-CG1 3.9Å; M402-V511 HydrophobicContact CG-CG1 4.16Å; M402-V511 HydrophobicContact SD-CG1 3.96Å; I499-V511 HydrophobicContact CD1-CG1 4.16Å; I499-V511 HydrophobicContact CD1-CG2 4.26Å; V511-F563 WeakPolarHBondContact CB-O 3.25Å; V511-F564 HydrophobicContact CG1-CD1 3.9Å; V511-D565 PolarHBondContact N-OD2 3.27Å; V511-D565 PolarHBondContact O-N 3.31Å; V511-H566 PolarHBondContact O-N 2.92Å
512	I	98	Very high	91.4	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	112.7	179.1	-54.8	176.7	0	0	0	108.4	I399 V400 L401 M402 Y510 I514 H566 I568 L580 A583 I584	I399-I512 HydrophobicContact CG2-CD1 4Å; V400-I512 PolarHBondContact O-N 3.21Å; L401-I512 HydrophobicContact CD2-CB 3.98Å; L401-I512 HydrophobicContact CD2-CD1 4.26Å; L401-I512 HydrophobicContact CD2-CG2 4.49Å; M402-I512 PolarHBondContact N-O 2.79Å; Y510-I512 HydrophobicContact CD1-CD1 4.05Å; Y510-I512 HydrophobicContact CD1-CG1 3.7Å; Y510-I512 HydrophobicContact CE1-CD1 4.17Å; Y510-I512 HydrophobicContact CE1-CG1 3.82Å; I512-I514 HydrophobicContact CG2-CG1 4.49Å; I512-H566 CarbonylContact C-O 3.51Å; I512-H566 WeakPolarHBondContact CA-O 3.23Å; I512-H566 HydrophobicContact CG1-CB 4.4Å; I512-I568 HydrophobicContact CG2-CD1 3.63Å; I512-I568 HydrophobicContact CG2-CG1 3.99Å; I512-L580 HydrophobicContact CD1-CD1 3.58Å; I512-L580 HydrophobicContact CG2-CD1 4.34Å; I512-A583 HydrophobicContact CD1-CB 3.95Å; I512-I584 HydrophobicContact CD1-CG1 4.12Å
513	F	97.4	Very high	91	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	122.2	175.3	-178.3	-114.8	0	0	0	110.7	M402 K515 A553 M556 E557 F564 H566 V567 I568	M402-F513 HydrophobicContact CB-CD2 4.1Å; M402-F513 CarbonylContact O-C 3.59Å; M402-F513 WeakPolarHBondContact O-CA 3.33Å; F513-K515 HydrophobicContact CD1-CB 4.09Å; F513-K515 HydrophobicContact CE1-CB 3.54Å; F513-K515 HydrophobicContact CE1-CD 4.25Å; F513-K515 HydrophobicContact CZ-CB 4.17Å; F513-A553 HydrophobicContact CZ-CB 4.46Å; F513-M556 HydrophobicContact CE2-CB 3.75Å; F513-M556 HydrophobicContact CE2-CE 4.36Å; F513-M556 HydrophobicContact CE2-CG 4.49Å; F513-M556 HydrophobicContact CE2-SD 4.01Å; F513-M556 HydrophobicContact CZ-CB 3.91Å; F513-E557 HydrophobicContact CD1-CG 3.98Å; F513-E557 HydrophobicContact CE1-CG 3.32Å; F513-E557 HydrophobicContact CZ-CG 3.96Å; F513-F564 HydrophobicContact CB-CB 4.09Å; F513-F564 HydrophobicContact CB-CD1 3.97Å; F513-F564 HydrophobicContact CB-CD2 3.45Å; F513-F564 VanDerWaalsContact CB-CD2 3.45Å; F513-F564 HydrophobicContact CB-CE1 4.26Å; F513-F564 HydrophobicContact CB-CE2 3.77Å; F513-F564 HydrophobicContact CB-CG 3.57Å; F513-F564 HydrophobicContact CB-CZ 4.17Å; F513-F564 AromaticContact CD1-CD2 3.84Å; F513-F564 HydrophobicContact CD1-CD2 3.84Å; F513-F564 AromaticContact CD1-CE2 3.68Å; F513-F564 HydrophobicContact CD1-CE2 3.68Å; F513-F564 HydrophobicContact CD2-CD2 4.2Å; F513-F564 HydrophobicContact CD2-CE1 4.17Å; F513-F564 AromaticContact CD2-CE2 3.59Å; F513-F564 HydrophobicContact CD2-CE2 3.59Å; F513-F564 AromaticContact CD2-CZ 3.58Å; F513-F564 HydrophobicContact CD2-CZ 3.58Å; F513-F564 HydrophobicContact CE1-CE2 4.14Å; F513-F564 HydrophobicContact CE2-CE2 4.05Å; F513-F564 HydrophobicContact CE2-CZ 4.05Å; F513-F564 AromaticContact CG-CD2 3.57Å; F513-F564 HydrophobicContact CG-CD2 3.57Å; F513-F564 HydrophobicContact CG-CE1 4.38Å; F513-F564 AromaticContact CG-CE2 3.38Å; F513-F564 HydrophobicContact CG-CE2 3.38Å; F513-F564 HydrophobicContact CG-CG 4.17Å; F513-F564 AromaticContact CG-CZ 3.84Å; F513-F564 HydrophobicContact CG-CZ 3.84Å; F513-F564 HydrophobicContact CZ-CE2 4.31Å; F513-H566 PolarHBondContact N-O 2.83Å; F513-V567 HydrophobicContact CB-CG2 4.4Å; F513-V567 HydrophobicContact CD1-CG1 4.1Å; F513-V567 HydrophobicContact CD1-CG2 4.39Å; F513-V567 CarbonylContact O-C 3.58Å; F513-V567 VanDerWaalsContact O-CA 3.3Å; F513-V567 WeakPolarHBondContact O-CA 3.37Å; F513-I568 PolarHBondContact O-N 2.85Å
514	I	96	Very high	90.5	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	115.2	-179.8	-49.6	-166.9	0	0	0	107.6	M402 G403 P404 V407 V409 L412 I512 I568 N570	M402-I514 PolarHBondContact O-N 3.5Å; G403-I514 VanDerWaalsContact CA-O 3.22Å; G403-I514 WeakPolarHBondContact CA-O 3.43Å; P404-I514 WeakPolarHBondContact CD-O 3.49Å; V407-I514 HydrophobicContact CG1-CB 4.3Å; V407-I514 HydrophobicContact CG1-CG2 4.1Å; V407-I514 HydrophobicContact CG2-CG2 4.14Å; V409-I514 HydrophobicContact CG2-CB 3.95Å; V409-I514 HydrophobicContact CG2-CD1 3.93Å; V409-I514 HydrophobicContact CG2-CG1 4.15Å; L412-I514 HydrophobicContact CD1-CD1 3.5Å; L412-I514 HydrophobicContact CD1-CG2 4.03Å; I512-I514 HydrophobicContact CG2-CG1 4.49Å; I514-I568 CarbonylContact C-O 3.6Å; I514-I568 WeakPolarHBondContact CA-O 3.33Å; I514-N570 HydrophobicContact CG2-CB 3.73Å
515	K	94.8	Very high	89.8	Confident	56 Å²	56	47 Å²	47	24%	0.243	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	152.9	-176.7	78.4	179.6	-174.2	175.4	0	112.4	F513 E557 V567 I568 V569 N570	F513-K515 HydrophobicContact CD1-CB 4.09Å; F513-K515 HydrophobicContact CE1-CB 3.54Å; F513-K515 HydrophobicContact CE1-CD 4.25Å; F513-K515 HydrophobicContact CZ-CB 4.17Å; K515-E557 WeakPolarHBondContact CD-OE1 3.47Å; K515-E557 WeakPolarHBondContact CE-OE1 3.38Å; K515-E557 IonicContact NZ-OE1 3.58Å; K515-E557 PolarHBondContact NZ-OE1 3.21Å; K515-E557 IonicContact NZ-OE2 3.3Å; K515-V567 HydrophobicContact CD-CG1 3.69Å; K515-V567 HydrophobicContact CG-CG1 4.07Å; K515-I568 PolarHBondContact N-O 2.96Å; K515-V569 HydrophobicContact CD-CG2 4.39Å; K515-V569 HydrophobicContact CG-CG2 3.94Å; K515-V569 CarbonylContact O-C 3.49Å; K515-V569 WeakPolarHBondContact O-CA 3.45Å; K515-N570 PolarHBondContact O-N 2.83Å
516	P	91.8	Very high	89.1	Confident	11 Å²	11	44.1 Å²	44.1	7%	0.071	21%	0.209	C	C	.	.			trans	-69.6	157.2	170.8	30	-34.9	0	0	0	111.7	V407 M522 M549 A553	V407-P516 HydrophobicContact CG2-CB 4.45Å; P516-M522 HydrophobicContact CB-CE 4.15Å; P516-M522 HydrophobicContact CB-CG 4.15Å; P516-M522 HydrophobicContact CB-SD 3.35Å; P516-M522 WeakPolarHBondContact CB-SD 3.42Å; P516-M522 HydrophobicContact CG-SD 4.32Å; P516-M549 HydrophobicContact CB-CG 4.34Å; P516-M549 HydrophobicContact CB-SD 4.09Å; P516-M549 HydrophobicContact CG-CG 4.12Å; P516-A553 HydrophobicContact CG-CB 3.84Å
517	S	90.2	Very high	88.1	Confident	10 Å²	10	46.4 Å²	46.4	7%	0.07	22%	0.217	C	C	.	.			trans	-64.7	176.4	157.6	51.2	0	0	0	0	112.1	C521 M522 D571	S517-C521 WeakPolarHBondContact OG-CB 3.37Å; S517-M522 WeakPolarHBondContact O-CE 3.44Å; S517-M522 WeakPolarHBondContact OG-CG 3.4Å; S517-M522 PolarHBondContact OG-N 3.46Å; S517-D571 WeakPolarHBondContact CB-OD1 3.36Å; S517-D571 PolarHBondContact N-OD1 3.14Å; S517-D571 PolarHBondContact OG-OD1 3.47Å; S517-D571 VanDerWaalsContact OG-OD1 3.09Å
518	N	86.4	Confident	86.7	Confident	86 Å²	86	52.9 Å²	52.9	46%	0.46	25%	0.252	S	S	.	.			trans	-50.9	156.2	162.9	69.7	60.8	0	0	0	113	R520 C521 M522	N518-R520 VanDerWaalsContact C-N 3.27Å; N518-R520 PolarHBondContact O-N 2.76Å; N518-R520 VanDerWaalsContact O-N 3.16Å; N518-R520 WeakPolarHBondContact OD1-CB 3.48Å; N518-R520 PolarHBondContact OD1-N 2.86Å; N518-R520 VanDerWaalsContact OD1-N 3.13Å; N518-C521 PolarHBondContact ND2-SG 2.79Å; N518-C521 PolarHBondContact O-N 2.87Å; N518-C521 WeakPolarHBondContact OD1-CB 3.48Å; N518-C521 PolarHBondContact OD1-N 2.89Å; N518-C521 PolarHBondContact OD1-SG 2.94Å; N518-C521 VanDerWaalsContact OD1-SG 3.37Å; N518-M522 PolarHBondContact O-N 3.27Å
519	M	84.6	Confident	85.4	Confident	31 Å²	31	53.1 Å²	53.1	15%	0.153	26%	0.26	C	S	.	.	H	α-helix	trans	-48.4	-42	180	-174.3	58.3	63.2	0	0	114.9	M522 K523 L546 Q547 E550	M519-M522 HydrophobicContact CE-CE 4.18Å; M519-M522 PolarHBondContact O-N 2.85Å; M519-M522 HydrophobicContact SD-CE 4.31Å; M519-K523 HydrophobicContact CG-CD 4.43Å; M519-K523 WeakPolarHBondContact O-CG 3.36Å; M519-K523 PolarHBondContact O-N 3.11Å; M519-K523 HydrophobicContact SD-CG 4.43Å; M519-L546 HydrophobicContact CE-CB 4.02Å; M519-L546 HydrophobicContact SD-CB 3.61Å; M519-L546 HydrophobicContact SD-CD1 4.29Å; M519-Q547 VanDerWaalsContact CE-CA 3.4Å; M519-Q547 HydrophobicContact CE-CB 3.84Å; M519-Q547 HydrophobicContact CE-CG 4.4Å; M519-E550 WeakPolarHBondContact CE-OE2 3.47Å
520	R	82.9	Confident	83.9	Confident	215 Å²	215	58.3 Å²	58.3	81%	0.811	28%	0.282	S	S	*	.	H	α-helix	trans	-66	-46.7	-176.8	-67	-179.3	176.6	172.2	-0.5	111.2	N518 K523 Q524	N518-R520 VanDerWaalsContact C-N 3.27Å; N518-R520 PolarHBondContact O-N 2.76Å; N518-R520 VanDerWaalsContact O-N 3.16Å; N518-R520 WeakPolarHBondContact OD1-CB 3.48Å; N518-R520 PolarHBondContact OD1-N 2.86Å; N518-R520 VanDerWaalsContact OD1-N 3.13Å; R520-K523 PolarHBondContact O-N 3.32Å; R520-Q524 PolarHBondContact O-N 2.73Å
521	C	82.5	Confident	82.1	Confident	48 Å²	48	59.3 Å²	59.3	32%	0.324	29%	0.288	S	S	.	.	H	α-helix	trans	-64.7	-39.2	177.3	-69.9	0	0	0	0	111.8	S517 N518 Q524 S525	S517-C521 WeakPolarHBondContact OG-CB 3.37Å; N518-C521 PolarHBondContact ND2-SG 2.79Å; N518-C521 PolarHBondContact O-N 2.87Å; N518-C521 WeakPolarHBondContact OD1-CB 3.48Å; N518-C521 PolarHBondContact OD1-N 2.89Å; N518-C521 PolarHBondContact OD1-SG 2.94Å; N518-C521 VanDerWaalsContact OD1-SG 3.37Å; C521-Q524 PolarHBondContact O-N 2.66Å; C521-S525 WeakPolarHBondContact O-CB 3.36Å; C521-S525 PolarHBondContact O-N 3.35Å; C521-S525 PolarHBondContact O-OG 3.04Å
522	M	83.8	Confident	80.1	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-62.3	-45.2	175.8	-75.8	-163.5	-76.4	0	0	112.5	P516 S517 N518 M519 Q524 S525 R526 L546 M549 E550	P516-M522 HydrophobicContact CB-CE 4.15Å; P516-M522 HydrophobicContact CB-CG 4.15Å; P516-M522 HydrophobicContact CB-SD 3.35Å; P516-M522 WeakPolarHBondContact CB-SD 3.42Å; P516-M522 HydrophobicContact CG-SD 4.32Å; S517-M522 WeakPolarHBondContact O-CE 3.44Å; S517-M522 WeakPolarHBondContact OG-CG 3.4Å; S517-M522 PolarHBondContact OG-N 3.46Å; N518-M522 PolarHBondContact O-N 3.27Å; M519-M522 HydrophobicContact CE-CE 4.18Å; M519-M522 PolarHBondContact O-N 2.85Å; M519-M522 HydrophobicContact SD-CE 4.31Å; M522-Q524 PolarHBondContact O-N 3.34Å; M522-S525 WeakPolarHBondContact CA-OG 3.15Å; M522-S525 PolarHBondContact O-N 2.97Å; M522-S525 PolarHBondContact O-OG 2.96Å; M522-R526 WeakPolarHBondContact O-CB 3.34Å; M522-R526 PolarHBondContact O-N 3.2Å; M522-L546 HydrophobicContact CB-CD1 4.26Å; M522-L546 HydrophobicContact CB-CD2 4.19Å; M522-L546 HydrophobicContact CE-CB 4.23Å; M522-L546 WeakPolarHBondContact CE-O 3.41Å; M522-L546 HydrophobicContact SD-CD2 4.13Å; M522-M549 HydrophobicContact SD-SD 4.18Å; M522-E550 HydrophobicContact CE-CB 4.14Å
523	K	83.1	Confident	77.7	Confident	89 Å²	89	66.9 Å²	66.9	39%	0.387	33%	0.329	S	S	.	.	H	α-helix	trans	-58.6	-35.2	177.9	-75.6	-179.8	175.7	-160.7	0	112.2	M519 R520 K527 D543 L546	M519-K523 HydrophobicContact CG-CD 4.43Å; M519-K523 WeakPolarHBondContact O-CG 3.36Å; M519-K523 PolarHBondContact O-N 3.11Å; M519-K523 HydrophobicContact SD-CG 4.43Å; R520-K523 PolarHBondContact O-N 3.32Å; K523-K527 WeakPolarHBondContact O-CB 3.43Å; K523-K527 PolarHBondContact O-N 3.4Å; K523-D543 VanDerWaalsContact CE-CG 3.42Å; K523-D543 WeakPolarHBondContact CE-OD1 3.44Å; K523-D543 WeakPolarHBondContact CE-OD2 3.26Å; K523-D543 IonicContact NZ-OD1 2.63Å; K523-D543 PolarHBondContact NZ-OD1 2.73Å; K523-D543 IonicContact NZ-OD2 2.85Å; K523-D543 PolarHBondContact NZ-OD2 2.89Å; K523-L546 HydrophobicContact CG-CD1 3.68Å
524	Q	80.3	Confident	74.9	Confident	161 Å²	161	70.4 Å²	70.4	75%	0.752	35%	0.348	S	S	*	.	H	α-helix	trans	-79	-50.2	179.8	-169.6	166.6	3.5	0	0	112.4	R520 C521 M522 R526	R520-Q524 PolarHBondContact O-N 2.73Å; C521-Q524 PolarHBondContact O-N 2.66Å; M522-Q524 PolarHBondContact O-N 3.34Å; Q524-R526 VanDerWaalsContact C-N 3.35Å; Q524-R526 PolarHBondContact O-N 3.37Å
525	S	76.5	Confident	72.3	Confident	50 Å²	50	75.6 Å²	75.6	35%	0.35	37%	0.368	S	S	.	.	H	α-helix	trans	-66.1	-35.3	-179.5	53.4	0	0	0	0	112.8	C521 M522 D571	C521-S525 WeakPolarHBondContact O-CB 3.36Å; C521-S525 PolarHBondContact O-N 3.35Å; C521-S525 PolarHBondContact O-OG 3.04Å; M522-S525 WeakPolarHBondContact CA-OG 3.15Å; M522-S525 PolarHBondContact O-N 2.97Å; M522-S525 PolarHBondContact O-OG 2.96Å; S525-D571 VanDerWaalsContact CB-O 3.25Å; S525-D571 WeakPolarHBondContact CB-O 3.49Å
526	R	74.8	Confident	69.7	Low	23 Å²	23	79.7 Å²	79.7	9%	0.087	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.1	7.1	-173.8	-57.4	174	-178.6	-130.9	-6.3	113.9	G406 V407 M522 Q524 N528 A529 F541 M549 N570	G406-R526 PolarHBondContact O-NH1 2.92Å; V407-R526 PolarHBondContact O-NH2 2.84Å; M522-R526 WeakPolarHBondContact O-CB 3.34Å; M522-R526 PolarHBondContact O-N 3.2Å; Q524-R526 VanDerWaalsContact C-N 3.35Å; Q524-R526 PolarHBondContact O-N 3.37Å; R526-N528 PolarHBondContact O-N 2.9Å; R526-N528 VanDerWaalsContact O-N 3.11Å; R526-A529 HydrophobicContact CB-CB 3.94Å; R526-A529 HydrophobicContact CG-CB 4.28Å; R526-A529 PolarHBondContact O-N 3.41Å; R526-F541 HydrophobicContact CB-CD2 4.02Å; R526-F541 HydrophobicContact CB-CE2 4.44Å; R526-M549 VanDerWaalsContact NH1-CE 3.25Å; R526-M549 PolarHBondContact NH1-SD 3.32Å; R526-N570 PolarHBondContact NH2-O 3.14Å
527	K	68.4	Low	67.5	Low	154 Å²	154	85.7 Å²	85.7	67%	0.67	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	-36	178.4	-168.2	175.2	-179.9	179.2	0	113.2	K523	K523-K527 WeakPolarHBondContact O-CB 3.43Å; K523-K527 PolarHBondContact O-N 3.4Å
528	N	64.4	Low	65.7	Low	139 Å²	139	89.6 Å²	89.6	74%	0.743	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.8	-2.7	178.7	-61.3	-29.4	0	0	0	112.9	R526	R526-N528 PolarHBondContact O-N 2.9Å; R526-N528 VanDerWaalsContact O-N 3.11Å
529	A	66	Low	64.5	Low	36 Å²	36	89 Å²	89	30%	0.298	44%	0.435	S	S	.	.			trans	-75	135	178.9	0	0	0	0	0	109.3	R526 F541	R526-A529 HydrophobicContact CB-CB 3.94Å; R526-A529 HydrophobicContact CG-CB 4.28Å; R526-A529 PolarHBondContact O-N 3.41Å; A529-F541 HydrophobicContact CB-CD2 4.35Å; A529-F541 HydrophobicContact CB-CE2 4.08Å
530	K	65.1	Low	63.9	Low	109 Å²	109	94.3 Å²	94.3	47%	0.474	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	136	-179	-67.9	168.1	167.3	-166.5	0	108.9	I532 D538	K530-I532 PolarHBondContact O-N 3.11Å; K530-I532 VanDerWaalsContact O-N 3.11Å; K530-D538 WeakPolarHBondContact CD-OD1 3.4Å; K530-D538 VanDerWaalsContact CE-CG 3.48Å; K530-D538 WeakPolarHBondContact CE-OD1 3.4Å; K530-D538 IonicContact NZ-OD1 2.68Å; K530-D538 PolarHBondContact NZ-OD1 3.32Å; K530-D538 IonicContact NZ-OD2 2.7Å; K530-D538 PolarHBondContact NZ-OD2 3.29Å
531	V	60.8	Low	63.5	Low	26 Å²	26	85.9 Å²	85.9	16%	0.158	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	105.7	171.4	-178.5	0	0	0	0	107.6	T533 M539 F541	V531-T533 HydrophobicContact CG1-CG2 3.82Å; V531-T533 PolarHBondContact O-N 3.17Å; V531-T533 VanDerWaalsContact O-N 3.08Å; V531-M539 HydrophobicContact CB-CB 4.5Å; V531-M539 PolarHBondContact N-O 2.94Å; V531-F541 HydrophobicContact CG2-CD1 3.71Å; V531-F541 HydrophobicContact CG2-CD2 3.9Å; V531-F541 HydrophobicContact CG2-CE1 3.64Å; V531-F541 HydrophobicContact CG2-CE2 3.82Å; V531-F541 HydrophobicContact CG2-CG 3.85Å; V531-F541 HydrophobicContact CG2-CZ 3.7Å
532	I	53.9	Low	63.4	Low	124 Å²	124	89.1 Å²	89.1	64%	0.636	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.2	98	176	-55.3	174.9	0	0	0	108.1	R353 K530	R353-I532 PolarHBondContact NH1-O 3.46Å; K530-I532 PolarHBondContact O-N 3.11Å; K530-I532 VanDerWaalsContact O-N 3.11Å
533	T	47.2	Very low	63.5	Low	36 Å²	36	93.6 Å²	93.6	22%	0.221	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	150.2	166.6	56.7	0	0	0	0	109.3	V531 Y535 Y536	V531-T533 HydrophobicContact CG1-CG2 3.82Å; V531-T533 PolarHBondContact O-N 3.17Å; V531-T533 VanDerWaalsContact O-N 3.08Å; T533-Y535 PolarHBondContact O-N 2.9Å; T533-Y536 PolarHBondContact O-N 3.44Å; T533-Y536 PolarHBondContact OG1-N 3.17Å
534	D	38.4	Very low	63.5	Low	74 Å²	74	96.4 Å²	96.4	40%	0.396	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-9.7	-178	-75.3	-45.1	0	0	0	114.3	R350	R350-D534 WeakPolarHBondContact CB-OD2 3.49Å; R350-D534 WeakPolarHBondContact CD-OD1 3.16Å; R350-D534 IonicContact CZ-OD1 3.87Å; R350-D534 IonicContact NE-OD1 3.43Å; R350-D534 IonicContact NH1-OD1 3.78Å; R350-D534 PolarHBondContact NH1-OD1 3.01Å
535	Y	41.6	Very low	63.5	Low	110 Å²	110	90.9 Å²	90.9	43%	0.431	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.5	-14.9	-173.6	-59.6	-85.1	0	0	0	114.3	L354 Y468 K469 T533	L354-Y535 HydrophobicContact CD1-CE2 4Å; L354-Y535 HydrophobicContact CD2-CE2 4.14Å; Y468-Y535 PolarHBondContact OH-OH 2.87Å; Y468-Y535 VanDerWaalsContact OH-OH 3.07Å; K469-Y535 PolarHBondContact NZ-OH 3.39Å; T533-Y535 PolarHBondContact O-N 2.9Å
536	Y	41.8	Very low	63.9	Low	142 Å²	142	88.7 Å²	88.7	56%	0.557	43%	0.433	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.2	101.1	175.4	-73.7	-86.7	0	0	0	109.3	T533 D538 M539	T533-Y536 PolarHBondContact O-N 3.44Å; T533-Y536 PolarHBondContact OG1-N 3.17Å; Y536-D538 PolarHBondContact O-N 3Å; Y536-M539 HydrophobicContact CD1-CG 4.1Å; Y536-M539 HydrophobicContact CD1-SD 4.04Å; Y536-M539 HydrophobicContact CD2-SD 4.11Å; Y536-M539 HydrophobicContact CE1-SD 4.49Å; Y536-M539 HydrophobicContact CG-CG 4.11Å; Y536-M539 HydrophobicContact CG-SD 3.83Å
537	V	43.8	Very low	64.5	Low	137 Å²	137	91.4 Å²	91.4	83%	0.83	45%	0.447	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.4	117.1	155.7	-172.3	0	0	0	0	104.9
538	D	53.2	Low	65.2	Low	91 Å²	91	89.1 Å²	89.1	49%	0.487	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	93	32.8	170.7	-62.8	3	0	0	0	119.7	K530 Y536	K530-D538 WeakPolarHBondContact CD-OD1 3.4Å; K530-D538 VanDerWaalsContact CE-CG 3.48Å; K530-D538 WeakPolarHBondContact CE-OD1 3.4Å; K530-D538 IonicContact NZ-OD1 2.68Å; K530-D538 PolarHBondContact NZ-OD1 3.32Å; K530-D538 IonicContact NZ-OD2 2.7Å; K530-D538 PolarHBondContact NZ-OD2 3.29Å; Y536-D538 PolarHBondContact O-N 3Å
539	M	62.2	Low	66.2	Low	74 Å²	74	82.8 Å²	82.8	37%	0.365	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	121.6	160.3	-81.2	-174.3	76.1	0	0	111.3	V531 Y536	V531-M539 HydrophobicContact CB-CB 4.5Å; V531-M539 PolarHBondContact N-O 2.94Å; Y536-M539 HydrophobicContact CD1-CG 4.1Å; Y536-M539 HydrophobicContact CD1-SD 4.04Å; Y536-M539 HydrophobicContact CD2-SD 4.11Å; Y536-M539 HydrophobicContact CE1-SD 4.49Å; Y536-M539 HydrophobicContact CG-CG 4.11Å; Y536-M539 HydrophobicContact CG-SD 3.83Å
540	K	70.9	Confident	67.3	Low	143 Å²	143	83.5 Å²	83.5	62%	0.622	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.6	147.5	166.7	-64.9	-176.7	180	-178.8	0	109.2	K542	K540-K542 PolarHBondContact O-N 3.48Å
541	F	74.5	Confident	68.3	Low	38 Å²	38	81.3 Å²	81.3	17%	0.167	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-59.3	128.4	171.2	-73.3	-86.8	0	0	0	110.1	R526 A529 V531 D545 L546 M549	R526-F541 HydrophobicContact CB-CD2 4.02Å; R526-F541 HydrophobicContact CB-CE2 4.44Å; A529-F541 HydrophobicContact CB-CD2 4.35Å; A529-F541 HydrophobicContact CB-CE2 4.08Å; V531-F541 HydrophobicContact CG2-CD1 3.71Å; V531-F541 HydrophobicContact CG2-CD2 3.9Å; V531-F541 HydrophobicContact CG2-CE1 3.64Å; V531-F541 HydrophobicContact CG2-CE2 3.82Å; V531-F541 HydrophobicContact CG2-CG 3.85Å; V531-F541 HydrophobicContact CG2-CZ 3.7Å; F541-D545 HydrophobicContact CD1-CB 4.3Å; F541-L546 HydrophobicContact CB-CD2 3.94Å; F541-L546 HydrophobicContact CB-CG 4.24Å; F541-L546 HydrophobicContact CD1-CD2 3.94Å; F541-L546 HydrophobicContact CG-CD2 4.07Å; F541-M549 HydrophobicContact CD1-CE 4.27Å; F541-M549 HydrophobicContact CE1-CE 3.7Å
542	K	81.7	Confident	69.5	Low	115 Å²	115	82.5 Å²	82.5	50%	0.5	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-83.7	158.8	166.7	-63.4	178.7	178	-177.3	0	109.9	K540 E544 D545 L546	K540-K542 PolarHBondContact O-N 3.48Å; K542-E544 PolarHBondContact O-N 3.13Å; K542-D545 WeakPolarHBondContact CB-OD2 3.25Å; K542-D545 PolarHBondContact N-OD2 2.85Å; K542-D545 WeakPolarHBondContact O-CB 3.35Å; K542-D545 PolarHBondContact O-N 2.63Å; K542-L546 PolarHBondContact O-N 2.63Å; K542-L546 VanDerWaalsContact O-N 3.16Å
543	D	84	Confident	71.3	Confident	95 Å²	95	77 Å²	77	51%	0.508	37%	0.373	S	S	.	.	H	α-helix	trans	-57	-36.3	174.3	-79.6	6.9	0	0	0	112.1	K523 L546 Q547	K523-D543 VanDerWaalsContact CE-CG 3.42Å; K523-D543 WeakPolarHBondContact CE-OD1 3.44Å; K523-D543 WeakPolarHBondContact CE-OD2 3.26Å; K523-D543 IonicContact NZ-OD1 2.63Å; K523-D543 PolarHBondContact NZ-OD1 2.73Å; K523-D543 IonicContact NZ-OD2 2.85Å; K523-D543 PolarHBondContact NZ-OD2 2.89Å; D543-L546 PolarHBondContact O-N 2.76Å; D543-Q547 PolarHBondContact O-N 2.91Å
544	E	83.9	Confident	73.4	Confident	147 Å²	147	81.1 Å²	81.1	69%	0.687	39%	0.39	S	S	*	.	H	α-helix	trans	-60.7	-44.1	174.1	-67.5	165.2	-174.9	0	0	112.1	K542 L546 Q547 E548	K542-E544 PolarHBondContact O-N 3.13Å; E544-L546 VanDerWaalsContact C-N 3.3Å; E544-L546 PolarHBondContact O-N 2.97Å; E544-Q547 PolarHBondContact O-N 3.05Å; E544-E548 WeakPolarHBondContact O-CB 3.42Å; E544-E548 PolarHBondContact O-N 2.89Å
545	D	80.5	Confident	75.8	Confident	45 Å²	45	85 Å²	85	24%	0.241	40%	0.399	C	S	.	.	H	α-helix	trans	-64.3	-37.8	178.9	-57.7	-47.1	0	0	0	111.2	F541 K542 M549	F541-D545 HydrophobicContact CD1-CB 4.3Å; K542-D545 WeakPolarHBondContact CB-OD2 3.25Å; K542-D545 PolarHBondContact N-OD2 2.85Å; K542-D545 WeakPolarHBondContact O-CB 3.35Å; K542-D545 PolarHBondContact O-N 2.63Å; D545-M549 WeakPolarHBondContact O-CB 3.26Å; D545-M549 PolarHBondContact O-N 2.89Å
546	L	85.1	Confident	78	Confident	4 Å²	4	81 Å²	81	2%	0.021	38%	0.384	C	S	.	.	H	α-helix	trans	-69.2	-38.9	177.3	-62.1	-179.1	0	0	0	111.3	M519 M522 K523 F541 K542 D543 E544 M549 E550	M519-L546 HydrophobicContact CE-CB 4.02Å; M519-L546 HydrophobicContact SD-CB 3.61Å; M519-L546 HydrophobicContact SD-CD1 4.29Å; M522-L546 HydrophobicContact CB-CD1 4.26Å; M522-L546 HydrophobicContact CB-CD2 4.19Å; M522-L546 HydrophobicContact CE-CB 4.23Å; M522-L546 WeakPolarHBondContact CE-O 3.41Å; M522-L546 HydrophobicContact SD-CD2 4.13Å; K523-L546 HydrophobicContact CG-CD1 3.68Å; F541-L546 HydrophobicContact CB-CD2 3.94Å; F541-L546 HydrophobicContact CB-CG 4.24Å; F541-L546 HydrophobicContact CD1-CD2 3.94Å; F541-L546 HydrophobicContact CG-CD2 4.07Å; K542-L546 PolarHBondContact O-N 2.63Å; K542-L546 VanDerWaalsContact O-N 3.16Å; D543-L546 PolarHBondContact O-N 2.76Å; E544-L546 VanDerWaalsContact C-N 3.3Å; E544-L546 PolarHBondContact O-N 2.97Å; L546-M549 PolarHBondContact O-N 3.38Å; L546-E550 PolarHBondContact O-N 2.8Å
547	Q	86.1	Confident	80.4	Confident	80 Å²	80	77.2 Å²	77.2	37%	0.374	37%	0.372	S	S	.	.	H	α-helix	trans	-68.7	-41.9	176.8	-168.1	62.8	65.8	0	0	111.8	M519 D543 E544 M549 E550 N551	M519-Q547 VanDerWaalsContact CE-CA 3.4Å; M519-Q547 HydrophobicContact CE-CB 3.84Å; M519-Q547 HydrophobicContact CE-CG 4.4Å; D543-Q547 PolarHBondContact O-N 2.91Å; E544-Q547 PolarHBondContact O-N 3.05Å; Q547-M549 VanDerWaalsContact C-N 3.28Å; Q547-M549 PolarHBondContact O-N 3.34Å; Q547-E550 PolarHBondContact NE2-OE2 3.16Å; Q547-E550 PolarHBondContact O-N 2.77Å; Q547-N551 PolarHBondContact NE2-OD1 3.38Å; Q547-N551 WeakPolarHBondContact O-CB 3.31Å; Q547-N551 PolarHBondContact O-N 3.25Å; Q547-N551 PolarHBondContact O-ND2 3.45Å; Q547-N551 PolarHBondContact O-OD1 2.91Å
548	E	83.9	Confident	82.4	Confident	107 Å²	107	74.6 Å²	74.6	50%	0.5	36%	0.356	S	S	.	.	H	α-helix	trans	-59.5	-42.9	174.2	-171.1	-176.8	-179.1	0	0	110.7	E544 E550 N551 L552	E544-E548 WeakPolarHBondContact O-CB 3.42Å; E544-E548 PolarHBondContact O-N 2.89Å; E548-E550 PolarHBondContact O-N 3.19Å; E548-N551 PolarHBondContact O-N 3.39Å; E548-L552 HydrophobicContact CG-CD1 4.04Å; E548-L552 HydrophobicContact CG-CG 4.36Å; E548-L552 WeakPolarHBondContact O-CB 3.39Å; E548-L552 VanDerWaalsContact O-CG 3.24Å; E548-L552 WeakPolarHBondContact O-CG 3.49Å; E548-L552 PolarHBondContact O-N 2.97Å
549	M	84.6	Confident	84	Confident	5 Å²	5	75.9 Å²	75.9	3%	0.025	36%	0.359	C	S	.	.	H	α-helix	trans	-61.6	-44.3	177.6	-169.2	-177.8	-48.9	0	0	112.9	P404 V407 P516 M522 R526 F541 D545 L546 Q547 L552 A553	P404-M549 HydrophobicContact CB-CG 4.08Å; P404-M549 HydrophobicContact CG-CG 3.8Å; V407-M549 HydrophobicContact CB-SD 4.16Å; V407-M549 HydrophobicContact CG2-SD 4.41Å; P516-M549 HydrophobicContact CB-CG 4.34Å; P516-M549 HydrophobicContact CB-SD 4.09Å; P516-M549 HydrophobicContact CG-CG 4.12Å; M522-M549 HydrophobicContact SD-SD 4.18Å; R526-M549 VanDerWaalsContact NH1-CE 3.25Å; R526-M549 PolarHBondContact NH1-SD 3.32Å; F541-M549 HydrophobicContact CD1-CE 4.27Å; F541-M549 HydrophobicContact CE1-CE 3.7Å; D545-M549 WeakPolarHBondContact O-CB 3.26Å; D545-M549 PolarHBondContact O-N 2.89Å; L546-M549 PolarHBondContact O-N 3.38Å; Q547-M549 VanDerWaalsContact C-N 3.28Å; Q547-M549 PolarHBondContact O-N 3.34Å; M549-L552 PolarHBondContact O-N 3.39Å; M549-A553 WeakPolarHBondContact O-CB 3.25Å; M549-A553 PolarHBondContact O-N 2.84Å
550	E	89.1	Confident	85.2	Confident	52 Å²	52	74.2 Å²	74.2	24%	0.243	35%	0.35	C	S	.	.	H	α-helix	trans	-63.8	-46.2	176.2	-171.9	170.6	-138.2	0	0	111.3	M519 M522 L546 Q547 E548 L552 A553 Q554	M519-E550 WeakPolarHBondContact CE-OE2 3.47Å; M522-E550 HydrophobicContact CE-CB 4.14Å; L546-E550 PolarHBondContact O-N 2.8Å; Q547-E550 PolarHBondContact NE2-OE2 3.16Å; Q547-E550 PolarHBondContact O-N 2.77Å; E548-E550 PolarHBondContact O-N 3.19Å; E550-L552 VanDerWaalsContact C-N 3.35Å; E550-L552 PolarHBondContact O-N 3Å; E550-A553 WeakPolarHBondContact O-CB 3.44Å; E550-A553 PolarHBondContact O-N 2.78Å; E550-Q554 PolarHBondContact O-N 3.31Å
551	N	87.1	Confident	86.1	Confident	62 Å²	62	68.4 Å²	68.4	33%	0.332	33%	0.331	S	S	.	.	H	α-helix	trans	-62	-41.6	177.8	-68.4	-15.3	0	0	0	112	Q547 E548 R555	Q547-N551 PolarHBondContact NE2-OD1 3.38Å; Q547-N551 WeakPolarHBondContact O-CB 3.31Å; Q547-N551 PolarHBondContact O-N 3.25Å; Q547-N551 PolarHBondContact O-ND2 3.45Å; Q547-N551 PolarHBondContact O-OD1 2.91Å; E548-N551 PolarHBondContact O-N 3.39Å; N551-R555 VanDerWaalsContact O-CG 3.28Å; N551-R555 WeakPolarHBondContact O-CG 3.45Å; N551-R555 PolarHBondContact O-N 3.07Å
552	L	86.4	Confident	86.9	Confident	52 Å²	52	67.7 Å²	67.7	27%	0.272	33%	0.328	S	S	.	.	H	α-helix	trans	-65.7	-41.7	175.3	-73.5	173.7	0	0	0	111.2	P404 E548 M549 E550 Q554 R555 M556	P404-L552 HydrophobicContact CB-CB 3.71Å; E548-L552 HydrophobicContact CG-CD1 4.04Å; E548-L552 HydrophobicContact CG-CG 4.36Å; E548-L552 WeakPolarHBondContact O-CB 3.39Å; E548-L552 VanDerWaalsContact O-CG 3.24Å; E548-L552 WeakPolarHBondContact O-CG 3.49Å; E548-L552 PolarHBondContact O-N 2.97Å; M549-L552 PolarHBondContact O-N 3.39Å; E550-L552 VanDerWaalsContact C-N 3.35Å; E550-L552 PolarHBondContact O-N 3Å; L552-Q554 PolarHBondContact O-N 3.11Å; L552-R555 PolarHBondContact O-N 3.43Å; L552-M556 WeakPolarHBondContact O-CB 3.49Å; L552-M556 WeakPolarHBondContact O-CG 3.11Å; L552-M556 PolarHBondContact O-N 3.33Å
553	A	90.8	Very high	87.5	Confident	7 Å²	7	62.7 Å²	62.7	6%	0.058	31%	0.306	C	S	.	.	H	α-helix	trans	-57.5	-49.4	176	0	0	0	0	0	111.4	P404 F513 P516 M549 E550 R555 M556 E557	P404-A553 HydrophobicContact CG-CB 3.97Å; F513-A553 HydrophobicContact CZ-CB 4.46Å; P516-A553 HydrophobicContact CG-CB 3.84Å; M549-A553 WeakPolarHBondContact O-CB 3.25Å; M549-A553 PolarHBondContact O-N 2.84Å; E550-A553 WeakPolarHBondContact O-CB 3.44Å; E550-A553 PolarHBondContact O-N 2.78Å; A553-R555 PolarHBondContact O-N 3.33Å; A553-M556 PolarHBondContact O-N 2.85Å; A553-E557 PolarHBondContact O-N 2.97Å
554	Q	91.6	Very high	88	Confident	123 Å²	123	59.4 Å²	59.4	58%	0.575	29%	0.288	S	S	*	.	H	α-helix	trans	-61.7	-44.8	-179.8	-171.3	176.7	10.1	0	0	111.4	E550 L552 M556 E557 T558	E550-Q554 PolarHBondContact O-N 3.31Å; L552-Q554 PolarHBondContact O-N 3.11Å; Q554-M556 VanDerWaalsContact C-N 3.32Å; Q554-M556 PolarHBondContact O-N 2.78Å; Q554-E557 PolarHBondContact O-N 3.36Å; Q554-T558 PolarHBondContact O-N 2.82Å; Q554-T558 PolarHBondContact O-OG1 3.48Å
555	R	88.6	Confident	88.5	Confident	157 Å²	157	54.5 Å²	54.5	59%	0.592	27%	0.266	S	S	*	.	H	α-helix	trans	-59.7	-42.3	175.7	-73.1	173.5	-176	-177.7	2.3	112.1	N551 L552 A553 T558 Q559	N551-R555 VanDerWaalsContact O-CG 3.28Å; N551-R555 WeakPolarHBondContact O-CG 3.45Å; N551-R555 PolarHBondContact O-N 3.07Å; L552-R555 PolarHBondContact O-N 3.43Å; A553-R555 PolarHBondContact O-N 3.33Å; R555-T558 PolarHBondContact O-N 3.4Å; R555-Q559 WeakPolarHBondContact O-CB 3.47Å; R555-Q559 WeakPolarHBondContact O-CG 3.46Å; R555-Q559 PolarHBondContact O-N 2.87Å; R555-Q559 VanDerWaalsContact O-N 3.08Å
556	M	89	Confident	89.3	Confident	24 Å²	24	54.9 Å²	54.9	12%	0.118	27%	0.266	C	S	.	.	H	α-helix	trans	-64.2	-44.4	177.8	-69.4	168.8	102	0	0	111.5	P404 P496 F513 L552 A553 Q554 F560	P404-M556 HydrophobicContact CB-SD 4.18Å; P496-M556 HydrophobicContact CG-CE 3.18Å; P496-M556 HydrophobicContact CG-CG 4.12Å; P496-M556 HydrophobicContact CG-SD 4.48Å; F513-M556 HydrophobicContact CE2-CB 3.75Å; F513-M556 HydrophobicContact CE2-CE 4.36Å; F513-M556 HydrophobicContact CE2-CG 4.49Å; F513-M556 HydrophobicContact CE2-SD 4.01Å; F513-M556 HydrophobicContact CZ-CB 3.91Å; L552-M556 WeakPolarHBondContact O-CB 3.49Å; L552-M556 WeakPolarHBondContact O-CG 3.11Å; L552-M556 PolarHBondContact O-N 3.33Å; A553-M556 PolarHBondContact O-N 2.85Å; Q554-M556 VanDerWaalsContact C-N 3.32Å; Q554-M556 PolarHBondContact O-N 2.78Å; M556-F560 WeakPolarHBondContact O-CB 3.42Å; M556-F560 PolarHBondContact O-N 2.88Å
557	E	90.6	Very high	89.8	Confident	63 Å²	63	57.6 Å²	57.6	29%	0.294	28%	0.283	S	S	.	.	H	α-helix	trans	-61.8	-45.7	175.2	-72.4	-173.4	152	0	0	112	F513 K515 A553 Q554 Q559 G561 F564	F513-E557 HydrophobicContact CD1-CG 3.98Å; F513-E557 HydrophobicContact CE1-CG 3.32Å; F513-E557 HydrophobicContact CZ-CG 3.96Å; K515-E557 WeakPolarHBondContact CD-OE1 3.47Å; K515-E557 WeakPolarHBondContact CE-OE1 3.38Å; K515-E557 IonicContact NZ-OE1 3.58Å; K515-E557 PolarHBondContact NZ-OE1 3.21Å; K515-E557 IonicContact NZ-OE2 3.3Å; A553-E557 PolarHBondContact O-N 2.97Å; Q554-E557 PolarHBondContact O-N 3.36Å; E557-Q559 VanDerWaalsContact C-N 3.35Å; E557-Q559 PolarHBondContact O-N 2.77Å; E557-G561 WeakPolarHBondContact O-CA 3.48Å; E557-G561 PolarHBondContact O-N 3.17Å; E557-F564 HydrophobicContact CG-CE2 4.35Å
558	T	87.3	Confident	90.3	Very high	82 Å²	82	53.8 Å²	53.8	50%	0.503	27%	0.265	S	S	.	.	H	α-helix	trans	-65.3	-36.3	-178.5	-55.5	0	0	0	0	113.1	K272 Q554 R555	K272-T558 PolarHBondContact NZ-O 2.91Å; Q554-T558 PolarHBondContact O-N 2.82Å; Q554-T558 PolarHBondContact O-OG1 3.48Å; R555-T558 PolarHBondContact O-N 3.4Å
559	Q	85.7	Confident	90.9	Very high	118 Å²	118	51.4 Å²	51.4	55%	0.551	26%	0.258	S	S	*	.	H	α-helix	trans	-89.2	-35.8	-175	-69.1	179.5	0.8	0	0	113.5	R555 E557 Q562	R555-Q559 WeakPolarHBondContact O-CB 3.47Å; R555-Q559 WeakPolarHBondContact O-CG 3.46Å; R555-Q559 PolarHBondContact O-N 2.87Å; R555-Q559 VanDerWaalsContact O-N 3.08Å; E557-Q559 VanDerWaalsContact C-N 3.35Å; E557-Q559 PolarHBondContact O-N 2.77Å; Q559-Q562 PolarHBondContact O-NE2 2.77Å; Q559-Q562 PolarHBondContact O-OE1 2.86Å
560	F	88.2	Confident	91.2	Very high	40 Å²	40	51.4 Å²	51.4	18%	0.175	26%	0.258	C	S	.	.	H	α-helix	trans	-125.6	2.3	-169.4	-56	-84.9	0	0	0	114	P496 I499 M556 Q562 F563 F564	P496-F560 HydrophobicContact CB-CB 4.48Å; P496-F560 HydrophobicContact CB-CD1 3.89Å; P496-F560 HydrophobicContact CB-CD2 3.38Å; P496-F560 HydrophobicContact CB-CE1 3.87Å; P496-F560 HydrophobicContact CB-CE2 3.37Å; P496-F560 HydrophobicContact CB-CG 3.66Å; P496-F560 HydrophobicContact CB-CZ 3.62Å; P496-F560 HydrophobicContact CG-CD2 4.29Å; P496-F560 HydrophobicContact CG-CE2 4.33Å; P496-F560 WeakPolarHBondContact O-CE1 3.46Å; I499-F560 HydrophobicContact CG2-CD1 4.45Å; M556-F560 WeakPolarHBondContact O-CB 3.42Å; M556-F560 PolarHBondContact O-N 2.88Å; F560-Q562 PolarHBondContact O-N 2.85Å; F560-Q562 VanDerWaalsContact O-N 3.08Å; F560-F563 HydrophobicContact CB-CD2 4.24Å; F560-F563 HydrophobicContact CD1-CD2 4.33Å; F560-F563 HydrophobicContact CD1-CE2 4.41Å; F560-F563 WeakPolarHBondContact O-CB 3.46Å; F560-F563 PolarHBondContact O-N 3.23Å; F560-F564 HydrophobicContact CB-CE1 3.94Å; F560-F564 HydrophobicContact CB-CZ 3.82Å
561	G	90.2	Very high	91.1	Very high	21 Å²	21	52.3 Å²	52.3	22%	0.216	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-52.2	-33.8	-175.6	0	0	0	0	0	114.7	E557 F563 F564	E557-G561 WeakPolarHBondContact O-CA 3.48Å; E557-G561 PolarHBondContact O-N 3.17Å; G561-F563 PolarHBondContact O-N 3.44Å; G561-F563 VanDerWaalsContact O-N 3.09Å; G561-F564 PolarHBondContact O-N 2.86Å; G561-F564 VanDerWaalsContact O-N 3.11Å
562	Q	91.1	Very high	91	Very high	23 Å²	23	51.5 Å²	51.5	11%	0.107	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-60.1	-19.8	176.4	67.8	-79.5	16.2	0	0	114.1	R248 M250 K272 Q559 F560	R248-Q562 WeakPolarHBondContact CD-O 3.14Å; M250-Q562 HydrophobicContact CE-CB 4.41Å; M250-Q562 HydrophobicContact CE-CG 3.65Å; M250-Q562 HydrophobicContact SD-CB 4.33Å; M250-Q562 HydrophobicContact SD-CG 4.18Å; K272-Q562 HydrophobicContact CB-CB 4.2Å; Q559-Q562 PolarHBondContact O-NE2 2.77Å; Q559-Q562 PolarHBondContact O-OE1 2.86Å; F560-Q562 PolarHBondContact O-N 2.85Å; F560-Q562 VanDerWaalsContact O-N 3.08Å
563	F	92.9	Very high	90.9	Very high	9 Å²	9	52.1 Å²	52.1	4%	0.039	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-98.4	-5.4	-179.7	-56.3	-65.2	0	0	0	113.7	M250 I499 V511 F560 G561	M250-F563 HydrophobicContact CE-CD1 4.19Å; M250-F563 HydrophobicContact CE-CE1 3.4Å; M250-F563 HydrophobicContact CE-CZ 3.76Å; I499-F563 HydrophobicContact CD1-CB 3.21Å; I499-F563 HydrophobicContact CD1-CD2 4.04Å; I499-F563 HydrophobicContact CD1-CG 3.77Å; I499-F563 HydrophobicContact CG1-CB 4.29Å; I499-F563 HydrophobicContact CG2-CD2 4.05Å; I499-F563 HydrophobicContact CG2-CE2 4.26Å; I499-F563 HydrophobicContact CG2-CG 4.44Å; V511-F563 WeakPolarHBondContact CB-O 3.25Å; F560-F563 HydrophobicContact CB-CD2 4.24Å; F560-F563 HydrophobicContact CD1-CD2 4.33Å; F560-F563 HydrophobicContact CD1-CE2 4.41Å; F560-F563 WeakPolarHBondContact O-CB 3.46Å; F560-F563 PolarHBondContact O-N 3.23Å; G561-F563 PolarHBondContact O-N 3.44Å; G561-F563 VanDerWaalsContact O-N 3.09Å
564	F	94.6	Very high	90.8	Very high	26 Å²	26	58.4 Å²	58.4	11%	0.114	30%	0.295	C	S	.	.			trans	-84	119.1	-178.7	-55.2	-22.6	0	0	0	109.7	M402 V511 F513 E557 F560 G561	M402-F564 HydrophobicContact SD-CE1 3.98Å; V511-F564 HydrophobicContact CG1-CD1 3.9Å; F513-F564 HydrophobicContact CB-CB 4.09Å; F513-F564 HydrophobicContact CB-CD1 3.97Å; F513-F564 HydrophobicContact CB-CD2 3.45Å; F513-F564 VanDerWaalsContact CB-CD2 3.45Å; F513-F564 HydrophobicContact CB-CE1 4.26Å; F513-F564 HydrophobicContact CB-CE2 3.77Å; F513-F564 HydrophobicContact CB-CG 3.57Å; F513-F564 HydrophobicContact CB-CZ 4.17Å; F513-F564 AromaticContact CD1-CD2 3.84Å; F513-F564 HydrophobicContact CD1-CD2 3.84Å; F513-F564 AromaticContact CD1-CE2 3.68Å; F513-F564 HydrophobicContact CD1-CE2 3.68Å; F513-F564 HydrophobicContact CD2-CD2 4.2Å; F513-F564 HydrophobicContact CD2-CE1 4.17Å; F513-F564 AromaticContact CD2-CE2 3.59Å; F513-F564 HydrophobicContact CD2-CE2 3.59Å; F513-F564 AromaticContact CD2-CZ 3.58Å; F513-F564 HydrophobicContact CD2-CZ 3.58Å; F513-F564 HydrophobicContact CE1-CE2 4.14Å; F513-F564 HydrophobicContact CE2-CE2 4.05Å; F513-F564 HydrophobicContact CE2-CZ 4.05Å; F513-F564 AromaticContact CG-CD2 3.57Å; F513-F564 HydrophobicContact CG-CD2 3.57Å; F513-F564 HydrophobicContact CG-CE1 4.38Å; F513-F564 AromaticContact CG-CE2 3.38Å; F513-F564 HydrophobicContact CG-CE2 3.38Å; F513-F564 HydrophobicContact CG-CG 4.17Å; F513-F564 AromaticContact CG-CZ 3.84Å; F513-F564 HydrophobicContact CG-CZ 3.84Å; F513-F564 HydrophobicContact CZ-CE2 4.31Å; E557-F564 HydrophobicContact CG-CE2 4.35Å; F560-F564 HydrophobicContact CB-CE1 3.94Å; F560-F564 HydrophobicContact CB-CZ 3.82Å; G561-F564 PolarHBondContact O-N 2.86Å; G561-F564 VanDerWaalsContact O-N 3.11Å
565	D	95.4	Very high	90.8	Very high	44 Å²	44	56.5 Å²	56.5	24%	0.235	29%	0.288	C	S	.	.	S	Bend	trans	-80.7	-29.3	176.2	-61.3	-73.9	0	0	0	111.6	Y510 V511	Y510-D565 WeakPolarHBondContact CA-OD2 3.39Å; Y510-D565 HydrophobicContact CD1-CB 4.32Å; Y510-D565 HydrophobicContact CD2-CB 3.69Å; Y510-D565 HydrophobicContact CE1-CB 4.09Å; Y510-D565 HydrophobicContact CE2-CB 3.43Å; Y510-D565 VanDerWaalsContact CE2-CB 3.43Å; Y510-D565 HydrophobicContact CG-CB 4.14Å; V511-D565 PolarHBondContact N-OD2 3.27Å; V511-D565 PolarHBondContact O-N 3.31Å
566	H	96.3	Very high	91.1	Very high	53 Å²	53	49 Å²	49	25%	0.245	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	142.4	177.5	-157.1	-50.8	0	0	0	110.9	Y510 V511 I512 F513	Y510-H566 HydrophobicContact CE1-CB 4.03Å; V511-H566 PolarHBondContact O-N 2.92Å; I512-H566 CarbonylContact C-O 3.51Å; I512-H566 WeakPolarHBondContact CA-O 3.23Å; I512-H566 HydrophobicContact CG1-CB 4.4Å; F513-H566 PolarHBondContact N-O 2.83Å
567	V	96.5	Very high	91.3	Very high	61 Å²	61	48.6 Å²	48.6	37%	0.37	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	133.3	172.7	-178.6	0	0	0	0	109.8	F513 K515	F513-V567 HydrophobicContact CB-CG2 4.4Å; F513-V567 HydrophobicContact CD1-CG1 4.1Å; F513-V567 HydrophobicContact CD1-CG2 4.39Å; F513-V567 CarbonylContact O-C 3.58Å; F513-V567 VanDerWaalsContact O-CA 3.3Å; F513-V567 WeakPolarHBondContact O-CA 3.37Å; K515-V567 HydrophobicContact CD-CG1 3.69Å; K515-V567 HydrophobicContact CG-CG1 4.07Å
568	I	97.1	Very high	91.5	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.005	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	127.7	176.3	-62.5	178.3	0	0	0	108.6	I512 F513 I514 K515 A576 Q579 L580 A583	I512-I568 HydrophobicContact CG2-CD1 3.63Å; I512-I568 HydrophobicContact CG2-CG1 3.99Å; F513-I568 PolarHBondContact O-N 2.85Å; I514-I568 CarbonylContact C-O 3.6Å; I514-I568 WeakPolarHBondContact CA-O 3.33Å; K515-I568 PolarHBondContact N-O 2.96Å; I568-A576 HydrophobicContact CG2-CB 4.11Å; I568-Q579 HydrophobicContact CD1-CB 4.17Å; I568-Q579 HydrophobicContact CG1-CB 4.45Å; I568-Q579 HydrophobicContact CG2-CB 4.27Å; I568-L580 HydrophobicContact CD1-CB 4.11Å; I568-L580 HydrophobicContact CD1-CD1 4.37Å; I568-A583 HydrophobicContact CD1-CB 4.49Å
569	V	95.4	Very high	91.9	Very high	56 Å²	56	48.4 Å²	48.4	34%	0.339	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	117.2	173.1	-175.4	0	0	0	0	108.7	K515 D571	K515-V569 HydrophobicContact CD-CG2 4.39Å; K515-V569 HydrophobicContact CG-CG2 3.94Å; K515-V569 CarbonylContact O-C 3.49Å; K515-V569 WeakPolarHBondContact O-CA 3.45Å; V569-D571 WeakPolarHBondContact CG1-OD1 3.4Å; V569-D571 PolarHBondContact O-N 2.78Å
570	N	92.1	Very high	92.5	Very high	5 Å²	5	42.8 Å²	42.8	3%	0.027	24%	0.236	C	C	.	.			trans	-98.4	89	-175.5	-173.6	22.6	0	0	0	113.2	V407 I514 K515 R526 S572 A576	V407-N570 HydrophobicContact CG2-CB 4.45Å; V407-N570 PolarHBondContact O-ND2 3.22Å; I514-N570 HydrophobicContact CG2-CB 3.73Å; K515-N570 PolarHBondContact O-N 2.83Å; R526-N570 PolarHBondContact NH2-O 3.14Å; N570-S572 PolarHBondContact OD1-O 3.37Å; N570-A576 HydrophobicContact CB-CB 4.17Å; N570-A576 VanDerWaalsContact OD1-CB 3.24Å; N570-A576 WeakPolarHBondContact OD1-CB 3.44Å
571	D	85.7	Confident	92.8	Very high	71 Å²	71	43.4 Å²	43.4	38%	0.38	24%	0.241	S	C	.	.	S	Bend	trans	-98.5	-38.7	175.4	-65.5	-0.9	0	0	0	111.7	S517 S525 V569	S517-D571 WeakPolarHBondContact CB-OD1 3.36Å; S517-D571 PolarHBondContact N-OD1 3.14Å; S517-D571 PolarHBondContact OG-OD1 3.47Å; S517-D571 VanDerWaalsContact OG-OD1 3.09Å; S525-D571 VanDerWaalsContact CB-O 3.25Å; S525-D571 WeakPolarHBondContact CB-O 3.49Å; V569-D571 WeakPolarHBondContact CG1-OD1 3.4Å; V569-D571 PolarHBondContact O-N 2.78Å
572	S	85.6	Confident	93.2	Very high	45 Å²	45	45 Å²	45	32%	0.315	25%	0.249	S	C	.	.			trans	-128.6	124.7	177.7	168.8	0	0	0	0	108	N570 H574 D575 A576	N570-S572 PolarHBondContact OD1-O 3.37Å; S572-H574 PolarHBondContact O-N 3.01Å; S572-D575 VanDerWaalsContact CB-OD2 3.22Å; S572-D575 WeakPolarHBondContact CB-OD2 3.37Å; S572-D575 PolarHBondContact O-N 3.43Å; S572-D575 PolarHBondContact OG-OD2 3.2Å; S572-A576 WeakPolarHBondContact O-CB 3.2Å; S572-A576 PolarHBondContact O-N 3.19Å
573	L	85.2	Confident	93.4	Very high	65 Å²	65	43.9 Å²	43.9	34%	0.34	24%	0.243	S	C	.	.	H	α-helix	trans	-58.5	-35.6	179.6	-73.9	171.1	0	0	0	111.9	E411 L412 C577	E411-L573 HydrophobicContact CB-CD2 4.28Å; E411-L573 HydrophobicContact CG-CD1 3.74Å; E411-L573 HydrophobicContact CG-CD2 4.04Å; L412-L573 HydrophobicContact CD2-CD2 4.09Å; L412-L573 WeakPolarHBondContact CD2-O 3.26Å; L412-L573 HydrophobicContact CG-CD2 4.14Å; L573-C577 WeakPolarHBondContact O-CB 3.47Å; L573-C577 PolarHBondContact O-N 3.46Å
574	H	88.3	Confident	93.6	Very high	139 Å²	139	43.6 Å²	43.6	64%	0.644	24%	0.242	S	C	*	.	H	α-helix	trans	-63.2	-50.5	178.5	177.6	-87.8	0	0	0	111.4	S572 C577 A578	S572-H574 PolarHBondContact O-N 3.01Å; H574-C577 WeakPolarHBondContact O-CB 3.18Å; H574-C577 PolarHBondContact O-N 2.66Å; H574-A578 PolarHBondContact O-N 2.86Å
575	D	91.8	Very high	93.7	Very high	83 Å²	83	47.4 Å²	47.4	44%	0.444	26%	0.26	S	S	.	.	H	α-helix	trans	-72.4	-37.2	-175.7	-54.1	-30.3	0	0	0	111.1	S572 C577 A578 Q579	S572-D575 VanDerWaalsContact CB-OD2 3.22Å; S572-D575 WeakPolarHBondContact CB-OD2 3.37Å; S572-D575 PolarHBondContact O-N 3.43Å; S572-D575 PolarHBondContact OG-OD2 3.2Å; D575-C577 VanDerWaalsContact C-N 3.31Å; D575-C577 PolarHBondContact O-N 3.07Å; D575-A578 PolarHBondContact O-N 2.84Å; D575-Q579 WeakPolarHBondContact O-CB 3.01Å; D575-Q579 WeakPolarHBondContact O-CG 3.45Å; D575-Q579 PolarHBondContact O-N 2.86Å
576	A	93.8	Very high	93.6	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.008	27%	0.265	C	S	.	.	H	α-helix	trans	-64.7	-34.7	172.6	0	0	0	0	0	112	L412 I568 N570 S572 L580	L412-A576 HydrophobicContact CD1-CB 4.11Å; L412-A576 HydrophobicContact CD2-CB 3.86Å; I568-A576 HydrophobicContact CG2-CB 4.11Å; N570-A576 HydrophobicContact CB-CB 4.17Å; N570-A576 VanDerWaalsContact OD1-CB 3.24Å; N570-A576 WeakPolarHBondContact OD1-CB 3.44Å; S572-A576 WeakPolarHBondContact O-CB 3.2Å; S572-A576 PolarHBondContact O-N 3.19Å; A576-L580 WeakPolarHBondContact O-CB 3.4Å; A576-L580 PolarHBondContact O-N 2.8Å
577	C	93.9	Very high	93.6	Very high	15 Å²	15	46.5 Å²	46.5	10%	0.101	25%	0.254	C	S	.	.	H	α-helix	trans	-68.6	-40.8	175	-162.5	0	0	0	0	111.6	L412 L573 H574 D575 L580 L581	L412-C577 HydrophobicContact CD2-CB 3.99Å; L573-C577 WeakPolarHBondContact O-CB 3.47Å; L573-C577 PolarHBondContact O-N 3.46Å; H574-C577 WeakPolarHBondContact O-CB 3.18Å; H574-C577 PolarHBondContact O-N 2.66Å; D575-C577 VanDerWaalsContact C-N 3.31Å; D575-C577 PolarHBondContact O-N 3.07Å; C577-L580 WeakPolarHBondContact O-CB 3.49Å; C577-L580 PolarHBondContact O-N 3.23Å; C577-L581 PolarHBondContact O-N 3.14Å
578	A	94.6	Very high	93.5	Very high	55 Å²	55	43.9 Å²	43.9	46%	0.455	24%	0.238	S	C	.	.	H	α-helix	trans	-63.9	-43.9	173.7	0	0	0	0	0	112.2	H574 D575 L580 L581 S582	H574-A578 PolarHBondContact O-N 2.86Å; D575-A578 PolarHBondContact O-N 2.84Å; A578-L580 VanDerWaalsContact C-N 3.31Å; A578-L580 PolarHBondContact O-N 3.29Å; A578-L581 PolarHBondContact O-N 3.37Å; A578-S582 PolarHBondContact O-N 2.92Å; A578-S582 VanDerWaalsContact O-N 3.08Å
579	Q	96.8	Very high	93.4	Very high	86 Å²	86	49 Å²	49	40%	0.402	26%	0.262	S	S	.	.	H	α-helix	trans	-62.1	-39.5	173.3	-73.1	176.7	53.4	0	0	111.7	I568 D575 S582 A583	I568-Q579 HydrophobicContact CD1-CB 4.17Å; I568-Q579 HydrophobicContact CG1-CB 4.45Å; I568-Q579 HydrophobicContact CG2-CB 4.27Å; D575-Q579 WeakPolarHBondContact O-CB 3.01Å; D575-Q579 WeakPolarHBondContact O-CG 3.45Å; D575-Q579 PolarHBondContact O-N 2.86Å; Q579-S582 PolarHBondContact O-N 3.27Å; Q579-A583 WeakPolarHBondContact O-CB 3.46Å; Q579-A583 PolarHBondContact O-N 2.96Å
580	L	96.7	Very high	93.4	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-63	-44.5	177.3	177.6	60.1	0	0	0	111.5	L401 L412 L416 I512 I568 A576 C577 A578 S582 A583 I584	L401-L580 HydrophobicContact CD1-CD2 4.44Å; L401-L580 HydrophobicContact CD2-CD1 3.72Å; L412-L580 HydrophobicContact CB-CD2 4.07Å; L416-L580 HydrophobicContact CD2-CD2 4.09Å; L416-L580 HydrophobicContact CD2-CG 4.44Å; I512-L580 HydrophobicContact CD1-CD1 3.58Å; I512-L580 HydrophobicContact CG2-CD1 4.34Å; I568-L580 HydrophobicContact CD1-CB 4.11Å; I568-L580 HydrophobicContact CD1-CD1 4.37Å; A576-L580 WeakPolarHBondContact O-CB 3.4Å; A576-L580 PolarHBondContact O-N 2.8Å; C577-L580 WeakPolarHBondContact O-CB 3.49Å; C577-L580 PolarHBondContact O-N 3.23Å; A578-L580 VanDerWaalsContact C-N 3.31Å; A578-L580 PolarHBondContact O-N 3.29Å; L580-S582 VanDerWaalsContact C-N 3.35Å; L580-S582 PolarHBondContact O-N 3.18Å; L580-A583 PolarHBondContact O-N 2.88Å; L580-I584 HydrophobicContact CD1-CD1 3.92Å; L580-I584 HydrophobicContact CD1-CG1 4.16Å; L580-I584 HydrophobicContact CG-CD1 3.94Å; L580-I584 VanDerWaalsContact O-CG1 3.25Å; L580-I584 WeakPolarHBondContact O-CG1 3.24Å; L580-I584 PolarHBondContact O-N 3.33Å
581	L	96.1	Very high	93.5	Very high	53 Å²	53	53.1 Å²	53.1	28%	0.277	28%	0.282	S	S	.	.	H	α-helix	trans	-58.9	-46	174.1	-79.1	167.6	0	0	0	111.7	L416 F419 F424 C577 A578 I584 Q585	L416-L581 HydrophobicContact CD1-CD2 3.34Å; L416-L581 HydrophobicContact CD1-CG 3.89Å; F419-L581 HydrophobicContact CD1-CD1 4.41Å; F419-L581 HydrophobicContact CE1-CD1 4.27Å; F424-L581 HydrophobicContact CE2-CD2 3.98Å; F424-L581 HydrophobicContact CZ-CD2 3.86Å; C577-L581 PolarHBondContact O-N 3.14Å; A578-L581 PolarHBondContact O-N 3.37Å; L581-I584 PolarHBondContact O-N 2.95Å; L581-Q585 PolarHBondContact O-N 3.41Å
582	S	96.7	Very high	94	Very high	53 Å²	53	51.1 Å²	51.1	37%	0.371	27%	0.27	S	S	.	.	H	α-helix	trans	-62.1	-43.8	176.8	-176.8	0	0	0	0	112	A578 Q579 L580 I584 Q585 K586	A578-S582 PolarHBondContact O-N 2.92Å; A578-S582 VanDerWaalsContact O-N 3.08Å; Q579-S582 PolarHBondContact O-N 3.27Å; L580-S582 VanDerWaalsContact C-N 3.35Å; L580-S582 PolarHBondContact O-N 3.18Å; S582-I584 PolarHBondContact O-N 3.45Å; S582-Q585 PolarHBondContact O-N 3.18Å; S582-K586 WeakPolarHBondContact O-CG 3.26Å; S582-K586 PolarHBondContact O-N 3.5Å
583	A	97.1	Very high	94.4	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-63	-41.1	177.8	0	0	0	0	0	112	I512 I568 Q579 L580 K586 A587	I512-A583 HydrophobicContact CD1-CB 3.95Å; I568-A583 HydrophobicContact CD1-CB 4.49Å; Q579-A583 WeakPolarHBondContact O-CB 3.46Å; Q579-A583 PolarHBondContact O-N 2.96Å; L580-A583 PolarHBondContact O-N 2.88Å; A583-K586 PolarHBondContact O-N 3.44Å; A583-A587 WeakPolarHBondContact O-CB 3.42Å; A583-A587 PolarHBondContact O-N 3.34Å
584	I	96.8	Very high	94.9	Very high	3 Å²	3	47.7 Å²	47.7	2%	0.015	25%	0.246	C	C	.	.	H	α-helix	trans	-65.9	-42.9	176.4	-66.4	168.5	0	0	0	110.7	I399 L416 F424 I489 I512 L580 L581 S582 K586 A587 Q588	I399-I584 HydrophobicContact CD1-CB 4.44Å; I399-I584 HydrophobicContact CD1-CG1 4.08Å; I399-I584 HydrophobicContact CD1-CG2 4.07Å; I399-I584 HydrophobicContact CG1-CD1 4.45Å; I399-I584 HydrophobicContact CG1-CG1 4.01Å; I399-I584 HydrophobicContact CG1-CG2 4.02Å; I399-I584 HydrophobicContact CG2-CD1 4.11Å; I399-I584 HydrophobicContact CG2-CG1 3.94Å; L416-I584 HydrophobicContact CD1-CD1 4.34Å; L416-I584 HydrophobicContact CD2-CD1 3.43Å; L416-I584 VanDerWaalsContact CD2-CD1 3.43Å; F424-I584 HydrophobicContact CE1-CD1 4.19Å; F424-I584 HydrophobicContact CE1-CG2 4.05Å; I489-I584 HydrophobicContact CD1-CG2 3.81Å; I489-I584 HydrophobicContact CG2-CG2 4.31Å; I512-I584 HydrophobicContact CD1-CG1 4.12Å; L580-I584 HydrophobicContact CD1-CD1 3.92Å; L580-I584 HydrophobicContact CD1-CG1 4.16Å; L580-I584 HydrophobicContact CG-CD1 3.94Å; L580-I584 VanDerWaalsContact O-CG1 3.25Å; L580-I584 WeakPolarHBondContact O-CG1 3.24Å; L580-I584 PolarHBondContact O-N 3.33Å; L581-I584 PolarHBondContact O-N 2.95Å; S582-I584 PolarHBondContact O-N 3.45Å; I584-K586 PolarHBondContact O-N 3.27Å; I584-A587 WeakPolarHBondContact O-CB 3.5Å; I584-A587 PolarHBondContact O-N 2.88Å; I584-A587 VanDerWaalsContact O-N 3.15Å; I584-Q588 HydrophobicContact CG2-CG 4.33Å; I584-Q588 WeakPolarHBondContact O-CG 3.4Å; I584-Q588 PolarHBondContact O-N 2.94Å; I584-Q588 VanDerWaalsContact O-N 3.12Å
585	Q	95.3	Very high	95.1	Very high	106 Å²	106	41.1 Å²	41.1	50%	0.495	22%	0.215	S	C	.	.	H	α-helix	trans	-58.2	-48.8	176.5	-172.1	179.8	-1.5	0	0	111.1	L581 S582 A587 Q588 E589	L581-Q585 PolarHBondContact O-N 3.41Å; S582-Q585 PolarHBondContact O-N 3.18Å; Q585-A587 VanDerWaalsContact C-N 3.28Å; Q585-A587 PolarHBondContact O-N 2.99Å; Q585-Q588 PolarHBondContact O-N 2.81Å; Q585-Q588 VanDerWaalsContact O-N 3.11Å; Q585-E589 VanDerWaalsContact CG-CD 3.48Å; Q585-E589 HydrophobicContact CG-CG 4.29Å; Q585-E589 WeakPolarHBondContact CG-OE2 3.49Å; Q585-E589 PolarHBondContact NE2-OE2 2.89Å; Q585-E589 WeakPolarHBondContact O-CB 3.38Å; Q585-E589 PolarHBondContact O-N 2.81Å
586	K	95.3	Very high	95.2	Very high	76 Å²	76	37.7 Å²	37.7	33%	0.33	20%	0.199	S	C	.	.	H	α-helix	trans	-57.5	-40.7	175	-68.2	-179.7	-180	178.6	0	112.6	S582 A583 I584 Q588 E590 Q592	S582-K586 WeakPolarHBondContact O-CG 3.26Å; S582-K586 PolarHBondContact O-N 3.5Å; A583-K586 PolarHBondContact O-N 3.44Å; I584-K586 PolarHBondContact O-N 3.27Å; K586-Q588 VanDerWaalsContact C-N 3.26Å; K586-Q588 PolarHBondContact O-N 3.06Å; K586-E590 WeakPolarHBondContact O-CB 3.44Å; K586-E590 PolarHBondContact O-N 3.44Å; K586-Q592 PolarHBondContact O-NE2 2.75Å
587	A	95.2	Very high	95.1	Very high	2 Å²	2	42.5 Å²	42.5	2%	0.017	23%	0.228	C	C	.	.	H	α-helix	trans	-61.8	-34	178.5	0	0	0	0	0	113.3	R397 I399 Y510 A583 I584 Q585	R397-A587 WeakPolarHBondContact CD-O 3.31Å; R397-A587 PolarHBondContact NH1-O 3.15Å; R397-A587 VanDerWaalsContact NH1-O 3.15Å; I399-A587 HydrophobicContact CD1-CB 4.01Å; Y510-A587 HydrophobicContact CD1-CB 3.45Å; Y510-A587 VanDerWaalsContact CD1-CB 3.45Å; Y510-A587 HydrophobicContact CD2-CB 3.55Å; Y510-A587 HydrophobicContact CE1-CB 3.77Å; Y510-A587 HydrophobicContact CE2-CB 3.87Å; Y510-A587 HydrophobicContact CG-CB 3.32Å; A583-A587 WeakPolarHBondContact O-CB 3.42Å; A583-A587 PolarHBondContact O-N 3.34Å; I584-A587 WeakPolarHBondContact O-CB 3.5Å; I584-A587 PolarHBondContact O-N 2.88Å; I584-A587 VanDerWaalsContact O-N 3.15Å; Q585-A587 VanDerWaalsContact C-N 3.28Å; Q585-A587 PolarHBondContact O-N 2.99Å
588	Q	94.9	Very high	95	Very high	7 Å²	7	42.4 Å²	42.4	3%	0.033	23%	0.226	C	C	.	.	H	α-helix	trans	-95.7	-24.2	-175.2	-56.7	-57.1	-22.7	0	0	114.3	R390 Y396 R397 I489 I584 Q585 K586	R390-Q588 PolarHBondContact NE-O 2.92Å; Y396-Q588 HydrophobicContact CD1-CB 4.38Å; Y396-Q588 HydrophobicContact CD1-CG 4.05Å; R397-Q588 PolarHBondContact O-NE2 2.9Å; I489-Q588 HydrophobicContact CD1-CG 3.88Å; I584-Q588 HydrophobicContact CG2-CG 4.33Å; I584-Q588 WeakPolarHBondContact O-CG 3.4Å; I584-Q588 PolarHBondContact O-N 2.94Å; I584-Q588 VanDerWaalsContact O-N 3.12Å; Q585-Q588 PolarHBondContact O-N 2.81Å; Q585-Q588 VanDerWaalsContact O-N 3.11Å; K586-Q588 VanDerWaalsContact C-N 3.26Å; K586-Q588 PolarHBondContact O-N 3.06Å
589	E	94.4	Very high	94.6	Very high	107 Å²	107	42.5 Å²	42.5	50%	0.5	22%	0.218	S	C	.	.	H	α-helix	trans	-115	-33.6	-171	-63.3	179.2	179.8	0	0	113.6	Q389 Q585	Q389-E589 PolarHBondContact NE2-O 2.91Å; Q585-E589 VanDerWaalsContact CG-CD 3.48Å; Q585-E589 HydrophobicContact CG-CG 4.29Å; Q585-E589 WeakPolarHBondContact CG-OE2 3.49Å; Q585-E589 PolarHBondContact NE2-OE2 2.89Å; Q585-E589 WeakPolarHBondContact O-CB 3.38Å; Q585-E589 PolarHBondContact O-N 2.81Å
590	E	95.3	Very high	93	Very high	96 Å²	96	41.9 Å²	41.9	45%	0.449	22%	0.223	S	C	.	.	S	Bend	trans	-95.7	153	-176.4	-66.1	-178.5	-173.6	0	0	112.1	K586 Q592	K586-E590 WeakPolarHBondContact O-CB 3.44Å; K586-E590 PolarHBondContact O-N 3.44Å; E590-Q592 PolarHBondContact O-N 3.31Å
591	P	94.6	Very high	90.8	Very high	52 Å²	52	44.6 Å²	44.6	34%	0.338	24%	0.242	S	C	.	.			trans	-67.3	123.6	176.6	27	-34.6	0	0	0	111.8	R387 Y388 Q389	R387-P591 PolarHBondContact NH1-O 3.3Å; Y388-P591 CarbonylContact O-C 3.54Å; Y388-P591 WeakPolarHBondContact O-CA 3.15Å; Q389-P591 HydrophobicContact CB-CB 4.17Å
592	Q	95.2	Very high	88.2	Confident	30 Å²	30	47.5 Å²	47.5	14%	0.14	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	157.6	-179.5	-58.1	-55.8	-43.2	0	0	111.8	R387 Y388 Y510 K586 E590	R387-Q592 WeakPolarHBondContact CA-O 3.15Å; Y388-Q592 PolarHBondContact N-O 2.91Å; Y388-Q592 PolarHBondContact O-N 3.43Å; Y510-Q592 HydrophobicContact CD2-CG 4.47Å; Y510-Q592 HydrophobicContact CE2-CG 4.03Å; K586-Q592 PolarHBondContact O-NE2 2.75Å; E590-Q592 PolarHBondContact O-N 3.31Å
593	W	94.6	Very high	85.2	Confident	36 Å²	36	51 Å²	51	14%	0.136	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	116.3	172.9	-67.8	106.2	0	0	0	110.6	Y246 R248 I275 I292 V385 R387	Y246-W593 AromaticContact CD1-CH2 3.67Å; Y246-W593 HydrophobicContact CD1-CH2 3.67Å; Y246-W593 HydrophobicContact CD1-CZ3 4.13Å; Y246-W593 HydrophobicContact CD2-CH2 4.05Å; Y246-W593 HydrophobicContact CD2-CZ3 4.05Å; Y246-W593 HydrophobicContact CE1-CH2 4.01Å; Y246-W593 HydrophobicContact CE2-CH2 4.4Å; Y246-W593 AromaticContact CG-CH2 3.65Å; Y246-W593 HydrophobicContact CG-CH2 3.65Å; Y246-W593 AromaticContact CG-CZ3 3.68Å; Y246-W593 HydrophobicContact CG-CZ3 3.68Å; R248-W593 PolarHBondContact NH2-O 2.78Å; I275-W593 HydrophobicContact CD1-CB 4.34Å; I275-W593 HydrophobicContact CD1-CG 4.38Å; I275-W593 HydrophobicContact CG1-CG 4.12Å; I275-W593 HydrophobicContact CG2-CD2 4.06Å; I275-W593 HydrophobicContact CG2-CE3 4.36Å; I275-W593 HydrophobicContact CG2-CG 4.45Å; I275-W593 HydrophobicContact CG2-CZ2 4.42Å; I292-W593 HydrophobicContact CD1-CH2 3.57Å; I292-W593 HydrophobicContact CD1-CZ2 3.11Å; V385-W593 HydrophobicContact CB-CE3 4.12Å; V385-W593 HydrophobicContact CG2-CD2 4.34Å; V385-W593 HydrophobicContact CG2-CE3 3.65Å; V385-W593 HydrophobicContact CG2-CZ3 4.23Å; R387-W593 HydrophobicContact CG-CD2 4.22Å; R387-W593 HydrophobicContact CG-CE3 4.08Å; R387-W593 HydrophobicContact CG-CH2 3.72Å; R387-W593 HydrophobicContact CG-CZ2 3.82Å; R387-W593 HydrophobicContact CG-CZ3 3.86Å
594	V	94.9	Very high	82	Confident	1 Å²	1	60.2 Å²	60.2	1%	0.006	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	154.5	176.5	-58.8	0	0	0	0	110.2	V385 V386 Y388 A596 W598 I599	V385-V594 CarbonylContact C-O 3.59Å; V385-V594 WeakPolarHBondContact CA-O 3.29Å; V385-V594 WeakPolarHBondContact CB-O 3.48Å; V386-V594 HydrophobicContact CG2-CG2 4.05Å; V386-V594 PolarHBondContact N-O 3.27Å; V386-V594 PolarHBondContact O-N 3.43Å; Y388-V594 HydrophobicContact CD1-CG1 4.09Å; Y388-V594 HydrophobicContact CG-CG1 4.39Å; Y388-V594 HydrophobicContact CG-CG2 4.11Å; V594-A596 PolarHBondContact O-N 3.31Å; V594-W598 HydrophobicContact CB-CD2 4.48Å; V594-W598 HydrophobicContact CB-CE3 3.64Å; V594-W598 HydrophobicContact CB-CZ3 3.94Å; V594-W598 HydrophobicContact CG1-CE3 3.99Å; V594-W598 HydrophobicContact CG1-CZ3 3.95Å; V594-W598 HydrophobicContact CG2-CE3 4.43Å; V594-I599 HydrophobicContact CG2-CD1 4.35Å; V594-I599 HydrophobicContact CG2-CG1 4.14Å
595	P	94.4	Very high	78.8	Confident	1 Å²	1	64.6 Å²	64.6	1%	0.006	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-51	133.2	171	-27.7	36.5	0	0	0	111.9	E383 E384 T597 W598	E383-P595 HydrophobicContact CG-CB 4.49Å; E384-P595 WeakPolarHBondContact O-CA 3.28Å; P595-T597 PolarHBondContact O-N 3.39Å; P595-W598 HydrophobicContact CB-CD2 4.21Å; P595-W598 HydrophobicContact CB-CG 4.13Å; P595-W598 HydrophobicContact CG-CD2 4Å; P595-W598 HydrophobicContact CG-CG 4.43Å; P595-W598 HydrophobicContact CG-CH2 4.19Å; P595-W598 HydrophobicContact CG-CZ2 3.67Å; P595-W598 WeakPolarHBondContact O-CB 3.5Å; P595-W598 PolarHBondContact O-N 3.23Å
596	A	92.7	Very high	75.6	Confident	12 Å²	12	72.1 Å²	72.1	10%	0.099	39%	0.386	C	S	.	.	G	3₁₀ helix	trans	-57.7	-32.2	179.5	0	0	0	0	0	112.1	E384 V386 V594 W598 I599 S600	E384-A596 HydrophobicContact CB-CB 4.11Å; E384-A596 HydrophobicContact CG-CB 3.85Å; E384-A596 PolarHBondContact O-N 3.37Å; V386-A596 HydrophobicContact CG1-CB 3.93Å; V594-A596 PolarHBondContact O-N 3.31Å; A596-W598 PolarHBondContact O-N 2.97Å; A596-W598 VanDerWaalsContact O-N 3.13Å; A596-I599 PolarHBondContact O-N 3.22Å; A596-I599 VanDerWaalsContact O-N 3.14Å; A596-S600 PolarHBondContact O-N 3.47Å; A596-S600 PolarHBondContact O-OG 3.39Å
597	T	91.1	Very high	74.6	Confident	102 Å²	102	71.9 Å²	71.9	63%	0.626	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-61.2	-16.8	175.7	56.5	0	0	0	0	114.1	P595 I599 S600	P595-T597 PolarHBondContact O-N 3.39Å; T597-I599 VanDerWaalsContact C-N 3.34Å; T597-S600 WeakPolarHBondContact CA-OG 3.47Å
598	W	92	Very high	73.6	Confident	12 Å²	12	75.6 Å²	75.6	5%	0.045	41%	0.409	C	S	.	.	G	3₁₀ helix	trans	-82.6	-12.2	178	-65.8	2.4	0	0	0	113.9	R503 H505 K508 P509 V594 P595 A596	R503-W598 HydrophobicContact CB-CZ2 3.89Å; R503-W598 HydrophobicContact CG-CZ2 4.1Å; R503-W598 PolarHBondContact O-NE1 2.96Å; H505-W598 HydrophobicContact CB-CB 4.24Å; K508-W598 HydrophobicContact CB-CE3 3.83Å; K508-W598 HydrophobicContact CB-CZ3 4.04Å; K508-W598 WeakPolarHBondContact CE-O 3.39Å; K508-W598 HydrophobicContact CG-CD2 4.44Å; K508-W598 HydrophobicContact CG-CE3 3.87Å; K508-W598 PolarHBondContact NZ-O 3.22Å; P509-W598 HydrophobicContact CG-CH2 3.89Å; P509-W598 HydrophobicContact CG-CZ2 4.33Å; V594-W598 HydrophobicContact CB-CD2 4.48Å; V594-W598 HydrophobicContact CB-CE3 3.64Å; V594-W598 HydrophobicContact CB-CZ3 3.94Å; V594-W598 HydrophobicContact CG1-CE3 3.99Å; V594-W598 HydrophobicContact CG1-CZ3 3.95Å; V594-W598 HydrophobicContact CG2-CE3 4.43Å; P595-W598 HydrophobicContact CB-CD2 4.21Å; P595-W598 HydrophobicContact CB-CG 4.13Å; P595-W598 HydrophobicContact CG-CD2 4Å; P595-W598 HydrophobicContact CG-CG 4.43Å; P595-W598 HydrophobicContact CG-CH2 4.19Å; P595-W598 HydrophobicContact CG-CZ2 3.67Å; P595-W598 WeakPolarHBondContact O-CB 3.5Å; P595-W598 PolarHBondContact O-N 3.23Å; A596-W598 PolarHBondContact O-N 2.97Å; A596-W598 VanDerWaalsContact O-N 3.13Å
599	I	87	Confident	72.4	Confident	58 Å²	58	79.4 Å²	79.4	30%	0.297	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.2	-25.1	-174.8	-52.5	-59.9	0	0	0	111.7	V386 Y388 V594 A596 T597 S601	V386-I599 HydrophobicContact CG2-CB 4.4Å; V386-I599 HydrophobicContact CG2-CG1 3.79Å; Y388-I599 HydrophobicContact CD2-CD1 3.41Å; Y388-I599 VanDerWaalsContact CD2-CD1 3.41Å; Y388-I599 HydrophobicContact CE2-CD1 3.92Å; Y388-I599 HydrophobicContact CG-CD1 4.03Å; V594-I599 HydrophobicContact CG2-CD1 4.35Å; V594-I599 HydrophobicContact CG2-CG1 4.14Å; A596-I599 PolarHBondContact O-N 3.22Å; A596-I599 VanDerWaalsContact O-N 3.14Å; T597-I599 VanDerWaalsContact C-N 3.34Å; I599-S601 VanDerWaalsContact C-N 3.26Å; I599-S601 PolarHBondContact O-N 3.36Å
600	S	62.8	Low	71.1	Confident	72 Å²	72	77.8 Å²	77.8	50%	0.503	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-4.1	-170.9	21.7	0	0	0	0	115.4	A596 T597 T603	A596-S600 PolarHBondContact O-N 3.47Å; A596-S600 PolarHBondContact O-OG 3.39Å; T597-S600 WeakPolarHBondContact CA-OG 3.47Å; S600-T603 PolarHBondContact O-OG1 3Å
601	S	51	Low	69.6	Low	58 Å²	58	76.6 Å²	76.6	41%	0.406	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-15.3	177.4	53.5	0	0	0	0	114.6	I599	I599-S601 VanDerWaalsContact C-N 3.26Å; I599-S601 PolarHBondContact O-N 3.36Å
602	D	40.4	Very low	67.9	Low	113 Å²	113	78.3 Å²	78.3	60%	0.604	43%	0.43	S	S	*	.	G	3₁₀ helix	trans	-90.6	-5.5	-168.9	-65.8	-9.5	0	0	0	113.6
603	T	33.7	Very low	65.9	Low	127 Å²	127	81.7 Å²	81.7	78%	0.779	45%	0.451	S	S	*	.	G	3₁₀ helix	trans	-90.9	-5.8	-176	28.5	0	0	0	0	115.8	S600	S600-T603 PolarHBondContact O-OG1 3Å
604	E	31.5	Very low	63.7	Low	193 Å²	193	85.2 Å²	85.2	90%	0.902	48%	0.475	S	S	*	.	G	3₁₀ helix	trans	-95.9	8.4	176.8	-71	-173.2	164.9	0	0	113.9
605	S	29.1	Very low	61.1	Low	95 Å²	95	92.3 Å²	92.3	66%	0.664	51%	0.514	S	S	*	.			trans	-134.5	51.5	-176.5	50.6	0	0	0	0	114
606	Q	28.2	Very low	58.1	Low	264 Å²	264	100.5 Å²	100.5	100%	1.234	56%	0.56	S	S	*	*			trans	-135	0	158.6	-76.8	-167.2	-11.4	0	0	112.2

Retrieved 606 of 606 residues in 439.3 ms (Link to these results)

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