A0A096MT68_PAPAN Loading...

Vitamin K-dependent protein S

Anticoagulant plasma protein; it is a cofactor to activated protein C in the degradation of coagulation factors Va and VIIIa. It helps to prevent coagulation and stimulating fibrinolysis.

AlphaFold DB (A0A096N4I1), UniProt , Accession A0A096MT68, Species PAPAN (Papio anubis, Olive baboon), Gene PROS1, Length 676 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.8	Very low	29.9	Very low	237 Å²	237	146.4 Å²	146.4	100%	1.167	86%	0.855	S	S	*	*				0	103.4	0	-80.4	167.7	155.2	0	0	106.8
2	R	26.1	Very low	30.1	Very low	238 Å²	238	148.6 Å²	148.6	90%	0.898	86%	0.86	S	S	*	*				65.4	116.9	91.6	-93.5	-163.2	174.8	178	1.7	112.5
3	V	28.5	Very low	30.2	Very low	108 Å²	108	143.2 Å²	143.2	66%	0.655	84%	0.844	S	S	*	*				105.9	120.5	114.5	162.4	0	0	0	0	118.5
4	L	29.7	Very low	30.2	Very low	152 Å²	152	141.3 Å²	141.3	80%	0.796	84%	0.839	S	S	*	*			trans	43.4	124.2	136	-71.2	89	0	0	0	120.2
5	G	26.9	Very low	30.4	Very low	81 Å²	81	141.6 Å²	141.6	84%	0.835	83%	0.834	S	S	*	*				66.9	131.8	87.8	0	0	0	0	0	118.5
6	G	27.3	Very low	30.4	Very low	73 Å²	73	142.6 Å²	142.6	75%	0.753	83%	0.834	S	S	*	*			trans	134.2	103.2	146.5	0	0	0	0	0	117.6
7	R	31.7	Very low	30.5	Very low	242 Å²	242	143.9 Å²	143.9	91%	0.913	84%	0.835	S	S	*	*				64	137.3	124.4	-87.5	-177.4	158.7	-174.2	-5.8	123.1
8	C	27.3	Very low	30.7	Very low	126 Å²	126	142.2 Å²	142.2	85%	0.851	83%	0.827	S	S	*	*			trans	83.3	134.3	135	-83	0	0	0	0	120
9	G	31.6	Very low	30.7	Very low	78 Å²	78	142.9 Å²	142.9	80%	0.804	83%	0.826	S	S	*	*			trans	164.3	70.3	161.1	0	0	0	0	0	113.5
10	A	33.2	Very low	31.2	Very low	98 Å²	98	141.8 Å²	141.8	81%	0.81	82%	0.824	S	S	*	*			trans	-65.2	155.9	167.5	0	0	0	0	0	111.6
11	L	33.2	Very low	31.4	Very low	177 Å²	177	141.5 Å²	141.5	93%	0.927	82%	0.824	S	S	*	*			trans	-158.1	111.2	145.9	-104	159.4	0	0	0	110.4
12	L	31.7	Very low	31.4	Very low	173 Å²	173	135.9 Å²	135.9	91%	0.906	81%	0.808	S	S	*	*			trans	-106.2	136.3	170	-126.4	152.1	0	0	0	105.8
13	A	32.1	Very low	31.7	Very low	79 Å²	79	133.3 Å²	133.3	65%	0.653	81%	0.806	S	S	*	*			trans	-145.3	133.8	171.2	0	0	0	0	0	112.3
14	C	30.1	Very low	31.9	Very low	116 Å²	116	131.8 Å²	131.8	78%	0.784	81%	0.805	S	S	*	*			trans	77.6	138.5	154.2	-62.1	0	0	0	0	117.8
15	L	32.4	Very low	32.2	Very low	146 Å²	146	132.7 Å²	132.7	76%	0.764	81%	0.811	S	S	*	*			cis	-172.6	135.3	-15.5	-137.9	128.1	0	0	0	104.8
16	L	31.1	Very low	32.7	Very low	158 Å²	158	138.6 Å²	138.6	83%	0.827	81%	0.814	S	S	*	*			trans	-91.4	135.2	172.6	-85.4	161.8	0	0	0	110
17	L	32.3	Very low	33.3	Very low	164 Å²	164	141.2 Å²	141.2	86%	0.859	81%	0.81	S	S	*	*			trans	-139.8	121.1	160.3	-102.4	160.9	0	0	0	108
18	V	33.6	Very low	34	Very low	113 Å²	113	132.4 Å²	132.4	69%	0.685	79%	0.786	S	S	*	*			trans	-122.2	142.2	173.6	175.1	0	0	0	0	107.8
19	L	30.5	Very low	34.9	Very low	156 Å²	156	135.9 Å²	135.9	82%	0.817	79%	0.786	S	S	*	*			trans	150.4	154.6	140.2	-79.5	176.6	0	0	0	110.1
20	P	40.4	Very low	35.7	Very low	121 Å²	121	139.8 Å²	139.8	79%	0.786	78%	0.784	S	S	*	*			cis	-132.6	-178.6	-6	33.3	-11.2	0	0	0	115.1
21	V	35.1	Very low	36.4	Very low	136 Å²	136	140.5 Å²	140.5	82%	0.824	77%	0.77	S	S	*	*			trans	-74.2	142.6	179.8	176.1	0	0	0	0	113
22	S	34.1	Very low	36.9	Very low	118 Å²	118	134.5 Å²	134.5	83%	0.825	75%	0.746	S	S	*	*			trans	-152.2	150.1	143.7	61.1	0	0	0	0	111.5
23	E	32.8	Very low	37.5	Very low	184 Å²	184	129.3 Å²	129.3	86%	0.86	72%	0.724	S	S	*	*			trans	-76.9	144.8	-156.8	-68.8	162.1	135.7	0	0	115.8
24	A	33.4	Very low	37.8	Very low	76 Å²	76	133 Å²	133	63%	0.628	73%	0.728	S	S	*	*			trans	49.9	113.1	135.6	0	0	0	0	0	120.6
25	N	35.3	Very low	38.3	Very low	172 Å²	172	133.5 Å²	133.5	92%	0.92	73%	0.727	S	S	*	*			trans	-132.4	82	133.4	-89	-36.2	0	0	0	108.5	L27	N25-L27 PolarHBondContact O-N 2.75Å
26	F	37.3	Very low	38.4	Very low	204 Å²	204	133.7 Å²	133.7	90%	0.895	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-69.1	116.1	167.2	-101.6	-87.7	0	0	0	108.6	S28	F26-S28 PolarHBondContact O-N 3.09Å
27	L	40.5	Very low	38.6	Very low	129 Å²	129	131.8 Å²	131.8	68%	0.675	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-54.5	131.1	168.2	-87.2	150.2	0	0	0	109.9	N25 Q31	N25-L27 PolarHBondContact O-N 2.75Å; L27-Q31 HydrophobicContact CD2-CB 4.15Å
28	S	46.4	Very low	38.6	Very low	57 Å²	57	135.5 Å²	135.5	40%	0.399	73%	0.725	S	S	.	*	P	Polyproline II helix	trans	-61.1	146.4	179	70.9	0	0	0	0	111.6	F26 Q30 Q31 A32	F26-S28 PolarHBondContact O-N 3.09Å; S28-Q30 PolarHBondContact O-N 3.12Å; S28-Q31 PolarHBondContact O-N 2.93Å; S28-Q31 PolarHBondContact OG-N 3.18Å; S28-Q31 PolarHBondContact OG-OE1 3.25Å; S28-A32 PolarHBondContact O-N 2.95Å; S28-A32 VanDerWaalsContact O-N 3.11Å
29	K	45.7	Very low	38.8	Very low	199 Å²	199	137.7 Å²	137.7	87%	0.865	73%	0.725	S	S	*	*	H	α-helix	trans	-55.5	-22.6	179.6	-147.5	176.2	-174.2	179.4	0	113.4
30	Q	49.1	Very low	39	Very low	160 Å²	160	141.7 Å²	141.7	75%	0.748	73%	0.73	S	S	*	*	H	α-helix	trans	-81.9	-31.8	175.6	-90.2	174	-41.1	0	0	113.6	S28 S33	S28-Q30 PolarHBondContact O-N 3.12Å; Q30-S33 PolarHBondContact O-OG 2.81Å
31	Q	48.1	Very low	38.8	Very low	113 Å²	113	145.6 Å²	145.6	53%	0.528	73%	0.729	S	S	.	*	H	α-helix	trans	-80.6	-31.2	174.4	-75.9	173	-38.6	0	0	112.8	L27 S28 S33 Q34	L27-Q31 HydrophobicContact CD2-CB 4.15Å; S28-Q31 PolarHBondContact O-N 2.93Å; S28-Q31 PolarHBondContact OG-N 3.18Å; S28-Q31 PolarHBondContact OG-OE1 3.25Å; Q31-S33 PolarHBondContact O-N 3.21Å; Q31-Q34 PolarHBondContact O-N 2.88Å
32	A	43.8	Very low	38.9	Very low	50 Å²	50	142.5 Å²	142.5	41%	0.413	72%	0.717	S	S	.	*	H	α-helix	trans	-64.9	-27	171.7	0	0	0	0	0	112.9	S28 L36	S28-A32 PolarHBondContact O-N 2.95Å; S28-A32 VanDerWaalsContact O-N 3.11Å; A32-L36 WeakPolarHBondContact O-CD1 3.09Å; A32-L36 WeakPolarHBondContact O-CG 3.3Å
33	S	42.7	Very low	39.1	Very low	64 Å²	64	143.1 Å²	143.1	45%	0.448	71%	0.711	S	S	.	*	H	α-helix	trans	-79.8	-21.5	178.2	75.3	0	0	0	0	114.7	Q30 Q31 V37	Q30-S33 PolarHBondContact O-OG 2.81Å; Q31-S33 PolarHBondContact O-N 3.21Å; S33-V37 WeakPolarHBondContact O-CG2 3.29Å
34	Q	40.3	Very low	39.6	Very low	158 Å²	158	137.8 Å²	137.8	74%	0.738	70%	0.699	S	S	*	*	H	α-helix	trans	-92	-19.3	-179.7	-77.4	-176	-25.1	0	0	113.7	Q31	Q31-Q34 PolarHBondContact O-N 2.88Å
35	V	39.1	Very low	40.2	Very low	126 Å²	126	143.6 Å²	143.6	76%	0.764	72%	0.715	S	S	*	*	H	α-helix	trans	-81.1	-23.9	170.6	178.4	0	0	0	0	111.5	V37	V35-V37 VanDerWaalsContact C-N 3.27Å; V35-V37 PolarHBondContact O-N 3.21Å
36	L	34.5	Very low	40.9	Very low	149 Å²	149	142 Å²	142	78%	0.78	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.8	9.5	177.8	-74.6	169.9	0	0	0	115.3	A32	A32-L36 WeakPolarHBondContact O-CD1 3.09Å; A32-L36 WeakPolarHBondContact O-CG 3.3Å
37	V	36.5	Very low	41.3	Very low	118 Å²	118	137.4 Å²	137.4	72%	0.715	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.2	0.4	-177.4	177.7	0	0	0	0	114	S33 V35 K39	S33-V37 WeakPolarHBondContact O-CG2 3.29Å; V35-V37 VanDerWaalsContact C-N 3.27Å; V35-V37 PolarHBondContact O-N 3.21Å; V37-K39 PolarHBondContact O-N 2.89Å
38	R	31.9	Very low	41.5	Very low	243 Å²	243	138 Å²	138	92%	0.917	69%	0.687	S	S	*	*	S	Bend	trans	-91.1	79	166.4	-82.1	-171.7	179.7	175.5	1.7	111.9
39	K	37.6	Very low	41.6	Very low	158 Å²	158	140.9 Å²	140.9	69%	0.687	70%	0.702	S	S	*	*			trans	66.8	65	143.9	-105.2	178.9	178.3	-179.3	0	117.5	V37 R41	V37-K39 PolarHBondContact O-N 2.89Å; K39-R41 PolarHBondContact O-N 3.1Å
40	R	35.6	Very low	41.6	Very low	241 Å²	241	138.1 Å²	138.1	91%	0.909	69%	0.69	S	S	*	*				-59.7	115.1	127.5	-84.1	-177.9	-177.9	169.8	-0.5	108.1
41	R	35.2	Very low	41.5	Very low	203 Å²	203	138.3 Å²	138.3	77%	0.766	69%	0.691	S	S	*	*			trans	-116.1	55.4	150.8	-89	-170.8	-179.6	178.2	-2	108.1	K39 N43	K39-R41 PolarHBondContact O-N 3.1Å; R41-N43 PolarHBondContact O-N 3.35Å
42	A	36.7	Very low	41.7	Very low	70 Å²	70	134.6 Å²	134.6	58%	0.579	68%	0.683	S	S	*	*			trans	-76.2	103.8	156.7	0	0	0	0	0	106.5
43	N	39.4	Very low	42.1	Very low	131 Å²	131	135.2 Å²	135.2	70%	0.701	68%	0.679	S	S	*	*			trans	-72.3	129.9	162.7	-78.7	-30.7	0	0	0	106.6	R41	R41-N43 PolarHBondContact O-N 3.35Å
44	A	43.2	Very low	42.6	Very low	72 Å²	72	135.5 Å²	135.5	60%	0.595	68%	0.675	S	S	*	*	S	Bend	trans	70.8	118.6	175.5	0	0	0	0	0	117.4	L46 E47	A44-L46 PolarHBondContact O-N 3.16Å; A44-E47 PolarHBondContact O-N 2.99Å
45	M	45.9	Very low	43.2	Very low	198 Å²	198	130.6 Å²	130.6	98%	0.975	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.6	15	-176.9	-168.3	177.6	172.2	0	0	115.4
46	L	49.7	Very low	43.9	Very low	140 Å²	140	130.9 Å²	130.9	73%	0.733	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-147.7	17.5	-173	-89.6	159.6	0	0	0	113.3	A44 T49	A44-L46 PolarHBondContact O-N 3.16Å; L46-T49 PolarHBondContact O-OG1 2.7Å
47	E	46.2	Very low	44.9	Very low	107 Å²	107	129.2 Å²	129.2	50%	0.5	63%	0.628	S	S	.	*	S	Bend	trans	-89.2	-15.5	178.1	-96.5	-174.1	164.4	0	0	115.1	A44 T49 N53	A44-E47 PolarHBondContact O-N 2.99Å; E47-T49 VanDerWaalsContact C-N 3.29Å; E47-T49 PolarHBondContact O-N 3.44Å; E47-N53 PolarHBondContact O-ND2 2.82Å; E47-N53 VanDerWaalsContact O-ND2 3.17Å
48	E	44.5	Very low	46	Very low	142 Å²	142	124.1 Å²	124.1	66%	0.664	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.7	-9.1	179.5	-73.5	175.7	-175.3	0	0	113.9
49	T	47.9	Very low	47.1	Very low	116 Å²	116	114.6 Å²	114.6	71%	0.712	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96	4.2	-178.3	51	0	0	0	0	114.1	L46 E47	L46-T49 PolarHBondContact O-OG1 2.7Å; E47-T49 VanDerWaalsContact C-N 3.29Å; E47-T49 PolarHBondContact O-N 3.44Å
50	K	46.5	Very low	47.9	Very low	141 Å²	141	112.8 Å²	112.8	61%	0.613	56%	0.558	S	S	*	*	S	Bend	trans	-89.6	123	173.1	-81.6	-177.6	178	175.3	0	110.7	G52 N53	K50-G52 PolarHBondContact O-N 3.28Å; K50-N53 PolarHBondContact O-N 2.62Å
51	Q	45.4	Very low	48.9	Very low	164 Å²	164	109 Å²	109	77%	0.766	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.2	126.8	171.7	-167.3	170	0.6	0	0	110.4
52	G	52.2	Low	49.9	Very low	35 Å²	35	104.1 Å²	104.1	36%	0.361	54%	0.539	S	S	.	.	T	Hydrogen-bonded Turn	trans	106.3	-15.7	-178	0	0	0	0	0	116.4	K50 E55 R56	K50-G52 PolarHBondContact O-N 3.28Å; G52-E55 VanDerWaalsContact CA-CD 3.44Å; G52-E55 WeakPolarHBondContact CA-OE2 3.35Å; G52-E55 PolarHBondContact N-OE1 2.83Å; G52-E55 PolarHBondContact N-OE2 2.89Å; G52-R56 PolarHBondContact O-N 3.44Å
53	N	54.1	Low	51	Low	63 Å²	63	102.3 Å²	102.3	34%	0.337	52%	0.522	S	S	.	.	H	α-helix	trans	-86.2	-36.6	-175.2	-93.4	-8.9	0	0	0	113.8	E47 K50 E55 R56 E57	E47-N53 PolarHBondContact O-ND2 2.82Å; E47-N53 VanDerWaalsContact O-ND2 3.17Å; K50-N53 PolarHBondContact O-N 2.62Å; N53-E55 VanDerWaalsContact C-N 3.35Å; N53-E55 PolarHBondContact N-OE2 2.57Å; N53-R56 PolarHBondContact O-N 3.41Å; N53-E57 PolarHBondContact O-N 2.73Å; N53-E57 VanDerWaalsContact O-N 3.13Å
54	L	52.6	Low	51.8	Low	70 Å²	70	99.5 Å²	99.5	37%	0.366	51%	0.507	S	S	.	.	H	α-helix	trans	-70.1	-35.8	175.5	-80.8	145.7	0	0	0	110.9	R56 E57 C58 V71	L54-R56 VanDerWaalsContact C-N 3.28Å; L54-R56 PolarHBondContact O-N 2.89Å; L54-E57 PolarHBondContact O-N 2.93Å; L54-C58 WeakPolarHBondContact O-CB 3.38Å; L54-C58 PolarHBondContact O-N 3.43Å; L54-C58 VanDerWaalsContact O-N 3.09Å; L54-V71 HydrophobicContact CB-CG1 3.68Å; L54-V71 HydrophobicContact CD2-CG2 4.3Å
55	E	52.2	Low	52.2	Low	55 Å²	55	102.3 Å²	102.3	26%	0.257	51%	0.506	S	S	.	.	H	α-helix	trans	-61	-39.5	174.1	-59.1	94.7	145	0	0	111.4	G52 N53 I59 F72	G52-E55 VanDerWaalsContact CA-CD 3.44Å; G52-E55 WeakPolarHBondContact CA-OE2 3.35Å; G52-E55 PolarHBondContact N-OE1 2.83Å; G52-E55 PolarHBondContact N-OE2 2.89Å; N53-E55 VanDerWaalsContact C-N 3.35Å; N53-E55 PolarHBondContact N-OE2 2.57Å; E55-I59 WeakPolarHBondContact O-CD1 3.03Å; E55-I59 VanDerWaalsContact O-CG1 3.23Å; E55-I59 WeakPolarHBondContact O-CG1 3.26Å; E55-I59 PolarHBondContact O-N 3.48Å; E55-F72 HydrophobicContact CB-CE1 4.01Å; E55-F72 HydrophobicContact CB-CZ 4.12Å; E55-F72 HydrophobicContact CG-CD1 3.99Å; E55-F72 HydrophobicContact CG-CE1 3.2Å; E55-F72 HydrophobicContact CG-CZ 3.8Å
56	R	53.7	Low	52.6	Low	133 Å²	133	99.2 Å²	99.2	50%	0.502	49%	0.489	S	S	.	.	H	α-helix	trans	-70.9	-41	179.2	-173.9	176.2	-176.5	162.1	-0.7	112.7	G52 N53 L54 C58 I59 E60	G52-R56 PolarHBondContact O-N 3.44Å; N53-R56 PolarHBondContact O-N 3.41Å; L54-R56 VanDerWaalsContact C-N 3.28Å; L54-R56 PolarHBondContact O-N 2.89Å; R56-C58 VanDerWaalsContact C-N 3.28Å; R56-C58 PolarHBondContact O-N 3.46Å; R56-I59 PolarHBondContact O-N 2.88Å; R56-E60 WeakPolarHBondContact CG-OE1 3.47Å; R56-E60 IonicContact CZ-OE1 3.99Å; R56-E60 IonicContact NE-OE1 3.09Å; R56-E60 PolarHBondContact NE-OE1 2.94Å; R56-E60 VanDerWaalsContact NE-OE1 3.09Å; R56-E60 IonicContact NH2-OE1 3.96Å; R56-E60 WeakPolarHBondContact O-CB 3.45Å; R56-E60 WeakPolarHBondContact O-CG 3.46Å; R56-E60 PolarHBondContact O-N 2.9Å
57	E	56.6	Low	53	Low	114 Å²	114	97 Å²	97	53%	0.533	48%	0.475	S	S	.	.	H	α-helix	trans	-64.2	-37.5	176.9	-154	171.8	-159.5	0	0	110.8	N53 L54 I59 E60 E61	N53-E57 PolarHBondContact O-N 2.73Å; N53-E57 VanDerWaalsContact O-N 3.13Å; L54-E57 PolarHBondContact O-N 2.93Å; E57-I59 PolarHBondContact O-N 2.89Å; E57-E60 PolarHBondContact O-N 2.89Å; E57-E61 PolarHBondContact O-N 2.9Å
58	C	57.9	Low	53.4	Low	10 Å²	10	92.1 Å²	92.1	7%	0.068	45%	0.453	C	S	.	.	H	α-helix	trans	-71.4	-30.2	179.5	-149.7	0	0	0	0	113.8	L54 R56 L62 C63	L54-C58 WeakPolarHBondContact O-CB 3.38Å; L54-C58 PolarHBondContact O-N 3.43Å; L54-C58 VanDerWaalsContact O-N 3.09Å; R56-C58 VanDerWaalsContact C-N 3.28Å; R56-C58 PolarHBondContact O-N 3.46Å; C58-L62 PolarHBondContact O-N 2.87Å; C58-C63 WeakPolarHBondContact CA-SG 3.45Å; C58-C63 HydrophobicContact CB-CB 4.25Å; C58-C63 WeakPolarHBondContact CB-SG 3.1Å; C58-C63 PolarHBondContact O-N 2.88Å; C58-C63 WeakPolarHBondContact SG-CB 3.43Å; C58-C63 CovalentContact SG-SG 2.04Å; C58-C63 PolarHBondContact SG-SG 2.92Å
59	I	55.4	Low	53.8	Low	43 Å²	43	94.7 Å²	94.7	22%	0.221	46%	0.457	C	S	.	.	H	α-helix	trans	-75.4	-39.3	171.7	-66.4	162.4	0	0	0	111.3	E55 R56 E57 F81 Y85 V114	E55-I59 WeakPolarHBondContact O-CD1 3.03Å; E55-I59 VanDerWaalsContact O-CG1 3.23Å; E55-I59 WeakPolarHBondContact O-CG1 3.26Å; E55-I59 PolarHBondContact O-N 3.48Å; R56-I59 PolarHBondContact O-N 2.88Å; E57-I59 PolarHBondContact O-N 2.89Å; I59-F81 HydrophobicContact CD1-CZ 4.38Å; I59-Y85 HydrophobicContact CG1-CE2 4.42Å; I59-V114 HydrophobicContact CD1-CG1 3.54Å; I59-V114 HydrophobicContact CG1-CG1 3.99Å; I59-V114 HydrophobicContact CG2-CG1 4.47Å
60	E	55.1	Low	54.1	Low	121 Å²	121	96.5 Å²	96.5	57%	0.565	46%	0.457	S	S	*	.	H	α-helix	trans	-74	-28.8	-178.6	-72.3	179.5	-171.5	0	0	112.4	R56 E57	R56-E60 WeakPolarHBondContact CG-OE1 3.47Å; R56-E60 IonicContact CZ-OE1 3.99Å; R56-E60 IonicContact NE-OE1 3.09Å; R56-E60 PolarHBondContact NE-OE1 2.94Å; R56-E60 VanDerWaalsContact NE-OE1 3.09Å; R56-E60 IonicContact NH2-OE1 3.96Å; R56-E60 WeakPolarHBondContact O-CB 3.45Å; R56-E60 WeakPolarHBondContact O-CG 3.46Å; R56-E60 PolarHBondContact O-N 2.9Å; E57-E60 PolarHBondContact O-N 2.89Å
61	E	56.8	Low	54.5	Low	160 Å²	160	91.9 Å²	91.9	75%	0.748	44%	0.441	S	S	*	.	H	α-helix	trans	-108.2	3.1	-178.8	-60.5	-137.2	153.1	0	0	115.8	E57	E57-E61 PolarHBondContact O-N 2.9Å
62	L	56.2	Low	54.8	Low	102 Å²	102	85.9 Å²	85.9	53%	0.534	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.1	58.4	177.9	-61.8	165.4	0	0	0	113.5	C58 L89 L110	C58-L62 PolarHBondContact O-N 2.87Å; L62-L89 HydrophobicContact CD2-CD1 3.73Å; L62-L110 HydrophobicContact CD2-CD2 4.48Å
63	C	58.8	Low	54.5	Low	31 Å²	31	91.7 Å²	91.7	21%	0.209	43%	0.43	C	S	.	.			trans	-49.9	148.4	178.7	-69.8	0	0	0	0	114.4	C58 E67 A68	C58-C63 WeakPolarHBondContact CA-SG 3.45Å; C58-C63 HydrophobicContact CB-CB 4.25Å; C58-C63 WeakPolarHBondContact CB-SG 3.1Å; C58-C63 PolarHBondContact O-N 2.88Å; C58-C63 WeakPolarHBondContact SG-CB 3.43Å; C58-C63 CovalentContact SG-SG 2.04Å; C58-C63 PolarHBondContact SG-SG 2.92Å; C63-E67 HydrophobicContact CB-CB 3.99Å; C63-A68 HydrophobicContact CB-CB 4.48Å
64	N	56	Low	54.1	Low	72 Å²	72	96.5 Å²	96.5	39%	0.385	46%	0.455	S	S	.	.			trans	-78.4	173	167.2	66.7	42.7	0	0	0	112.5	E66 E67 A68	N64-E66 VanDerWaalsContact C-N 3.32Å; N64-E66 PolarHBondContact O-N 2.82Å; N64-E66 PolarHBondContact OD1-N 2.83Å; N64-E67 PolarHBondContact N-OE2 2.82Å; N64-E67 PolarHBondContact ND2-OE1 2.64Å; N64-E67 PolarHBondContact ND2-OE2 2.84Å; N64-E67 VanDerWaalsContact ND2-OE2 3.15Å; N64-E67 PolarHBondContact O-N 3Å; N64-E67 WeakPolarHBondContact OD1-CB 3.19Å; N64-E67 VanDerWaalsContact OD1-CD 3.28Å; N64-E67 WeakPolarHBondContact OD1-CG 3.47Å; N64-E67 PolarHBondContact OD1-N 3.38Å; N64-E67 PolarHBondContact OD1-OE2 3.28Å; N64-A68 PolarHBondContact O-N 2.76Å
65	K	52.7	Low	54.2	Low	131 Å²	131	95.5 Å²	95.5	57%	0.57	45%	0.451	S	S	*	.	H	α-helix	trans	-64.1	-36.2	-171.6	-174.4	176.9	179.5	-174.4	0	112.7	R69 Y82	K65-R69 WeakPolarHBondContact O-CB 3.37Å; K65-R69 PolarHBondContact O-N 3.15Å; K65-Y82 VanDerWaalsContact CA-OH 3.23Å; K65-Y82 WeakPolarHBondContact CA-OH 3.49Å; K65-Y82 VanDerWaalsContact CB-OH 3.26Å; K65-Y82 WeakPolarHBondContact CB-OH 3.37Å; K65-Y82 HydrophobicContact CD-CE1 4.46Å; K65-Y82 HydrophobicContact CG-CE1 4.02Å; K65-Y82 WeakPolarHBondContact CG-OH 3.39Å
66	E	54.2	Low	54.3	Low	133 Å²	133	97 Å²	97	62%	0.621	47%	0.465	S	S	*	.	H	α-helix	trans	-72.3	-40.9	177.8	-68.2	80.2	-169	0	0	111.6	N64 R69 E70	N64-E66 VanDerWaalsContact C-N 3.32Å; N64-E66 PolarHBondContact O-N 2.82Å; N64-E66 PolarHBondContact OD1-N 2.83Å; E66-R69 WeakPolarHBondContact O-CB 3.44Å; E66-R69 PolarHBondContact O-N 3.3Å; E66-E70 PolarHBondContact O-N 3.18Å
67	E	57.7	Low	54.3	Low	93 Å²	93	93.6 Å²	93.6	44%	0.435	46%	0.455	S	S	.	.	H	α-helix	trans	-65.7	-44.1	177	-76	159.2	-173.1	0	0	112.7	C63 N64 R69 E70 V71	C63-E67 HydrophobicContact CB-CB 3.99Å; N64-E67 PolarHBondContact N-OE2 2.82Å; N64-E67 PolarHBondContact ND2-OE1 2.64Å; N64-E67 PolarHBondContact ND2-OE2 2.84Å; N64-E67 VanDerWaalsContact ND2-OE2 3.15Å; N64-E67 PolarHBondContact O-N 3Å; N64-E67 WeakPolarHBondContact OD1-CB 3.19Å; N64-E67 VanDerWaalsContact OD1-CD 3.28Å; N64-E67 WeakPolarHBondContact OD1-CG 3.47Å; N64-E67 PolarHBondContact OD1-N 3.38Å; N64-E67 PolarHBondContact OD1-OE2 3.28Å; E67-R69 VanDerWaalsContact C-N 3.25Å; E67-R69 PolarHBondContact O-N 3.11Å; E67-E70 PolarHBondContact O-N 3.2Å; E67-V71 WeakPolarHBondContact O-CG2 3.43Å; E67-V71 PolarHBondContact O-N 2.89Å
68	A	54.1	Low	54.4	Low	6 Å²	6	89.2 Å²	89.2	5%	0.05	44%	0.436	C	S	.	.	H	α-helix	trans	-61.6	-37.2	173	0	0	0	0	0	110.8	C63 N64 E70 V71 F72 Y82	C63-A68 HydrophobicContact CB-CB 4.48Å; N64-A68 PolarHBondContact O-N 2.76Å; A68-E70 VanDerWaalsContact C-N 3.28Å; A68-E70 PolarHBondContact O-N 3.14Å; A68-V71 PolarHBondContact O-N 3.14Å; A68-F72 WeakPolarHBondContact O-CD2 3.42Å; A68-F72 PolarHBondContact O-N 3.32Å; A68-Y82 HydrophobicContact CB-CD2 4.16Å; A68-Y82 HydrophobicContact CB-CE2 3.78Å
69	R	54.2	Low	54.5	Low	196 Å²	196	95.6 Å²	95.6	74%	0.74	47%	0.469	S	S	*	.	H	α-helix	trans	-65.8	-29.1	179.7	-128.5	178.3	77.2	133	2.7	113.9	K65 E66 E67	K65-R69 WeakPolarHBondContact O-CB 3.37Å; K65-R69 PolarHBondContact O-N 3.15Å; E66-R69 WeakPolarHBondContact O-CB 3.44Å; E66-R69 PolarHBondContact O-N 3.3Å; E67-R69 VanDerWaalsContact C-N 3.25Å; E67-R69 PolarHBondContact O-N 3.11Å
70	E	54.1	Low	54.9	Low	154 Å²	154	96.3 Å²	96.3	72%	0.72	47%	0.47	S	S	*	.	H	α-helix	trans	-81.6	-32.4	177.3	-71.7	-174.2	169.9	0	0	112.5	E66 E67 A68	E66-E70 PolarHBondContact O-N 3.18Å; E67-E70 PolarHBondContact O-N 3.2Å; A68-E70 VanDerWaalsContact C-N 3.28Å; A68-E70 PolarHBondContact O-N 3.14Å
71	V	53.8	Low	55.4	Low	44 Å²	44	92 Å²	92	27%	0.267	45%	0.449	S	S	.	.	H	α-helix	trans	-68.2	-38.4	178.6	164.4	0	0	0	0	112.6	L54 E67 A68	L54-V71 HydrophobicContact CB-CG1 3.68Å; L54-V71 HydrophobicContact CD2-CG2 4.3Å; E67-V71 WeakPolarHBondContact O-CG2 3.43Å; E67-V71 PolarHBondContact O-N 2.89Å; A68-V71 PolarHBondContact O-N 3.14Å
72	F	53.5	Low	55.9	Low	38 Å²	38	86.7 Å²	86.7	17%	0.167	42%	0.422	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	33.3	-172.7	-57.9	-89	0	0	0	113.7	E55 A68 N74 T78 F81	E55-F72 HydrophobicContact CB-CE1 4.01Å; E55-F72 HydrophobicContact CB-CZ 4.12Å; E55-F72 HydrophobicContact CG-CD1 3.99Å; E55-F72 HydrophobicContact CG-CE1 3.2Å; E55-F72 HydrophobicContact CG-CZ 3.8Å; A68-F72 WeakPolarHBondContact O-CD2 3.42Å; A68-F72 PolarHBondContact O-N 3.32Å; F72-N74 PolarHBondContact O-N 3.42Å; F72-T78 HydrophobicContact CB-CG2 3.59Å; F72-T78 WeakPolarHBondContact CB-OG1 3.16Å; F72-T78 HydrophobicContact CD2-CG2 4.19Å; F72-T78 HydrophobicContact CG-CG2 4.08Å; F72-T78 PolarHBondContact O-OG1 3.06Å; F72-F81 HydrophobicContact CZ-CE1 4.5Å
73	E	45.5	Very low	56.4	Low	156 Å²	156	85.2 Å²	85.2	73%	0.729	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-41.2	110.9	-178.6	-92.9	-172.1	156.1	0	0	113.3	D75	E73-D75 PolarHBondContact O-N 3.16Å
74	N	45.4	Very low	56.7	Low	164 Å²	164	87.7 Å²	87.7	88%	0.877	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.1	27.1	166.7	-58.6	-46.4	0	0	0	119	F72	F72-N74 PolarHBondContact O-N 3.42Å
75	D	54.2	Low	57.3	Low	50 Å²	50	85.1 Å²	85.1	27%	0.267	41%	0.411	S	S	.	.			trans	-100.7	129.1	166	-155.1	-42.2	0	0	0	110.5	E73 E77 T78 K138	E73-D75 PolarHBondContact O-N 3.16Å; D75-E77 HydrophobicContact CB-CB 4.41Å; D75-E77 PolarHBondContact O-N 2.69Å; D75-E77 PolarHBondContact OD1-N 2.91Å; D75-T78 PolarHBondContact O-N 2.54Å; D75-T78 VanDerWaalsContact O-N 3.11Å; D75-T78 PolarHBondContact O-OG1 3.36Å; D75-T78 VanDerWaalsContact O-OG1 3.1Å; D75-K138 IonicContact OD2-NZ 3.1Å; D75-K138 PolarHBondContact OD2-NZ 2.74Å
76	P	54.1	Low	58	Low	87 Å²	87	81.5 Å²	81.5	57%	0.565	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-14.3	173.8	18.4	-32.1	0	0	0	114.8	T78 A139	P76-T78 VanDerWaalsContact C-N 3.28Å; P76-T78 PolarHBondContact O-N 3.2Å; P76-A139 WeakPolarHBondContact O-CB 3.45Å
77	E	54.4	Low	58.7	Low	61 Å²	61	79.4 Å²	79.4	29%	0.285	39%	0.394	S	S	.	.	H	α-helix	trans	-60.7	-30.2	172.9	-150.7	160.3	-148.1	0	0	113.8	D75 Y80 F81	D75-E77 HydrophobicContact CB-CB 4.41Å; D75-E77 PolarHBondContact O-N 2.69Å; D75-E77 PolarHBondContact OD1-N 2.91Å; E77-Y80 PolarHBondContact O-N 3.28Å; E77-F81 WeakPolarHBondContact O-CB 3.19Å; E77-F81 PolarHBondContact O-N 3.25Å
78	T	58.5	Low	59.2	Low	22 Å²	22	75.3 Å²	75.3	14%	0.135	38%	0.375	C	S	.	.	H	α-helix	trans	-69.1	-42	-176.5	-43.2	0	0	0	0	113.3	F72 D75 P76 Y80 F81 Y82	F72-T78 HydrophobicContact CB-CG2 3.59Å; F72-T78 WeakPolarHBondContact CB-OG1 3.16Å; F72-T78 HydrophobicContact CD2-CG2 4.19Å; F72-T78 HydrophobicContact CG-CG2 4.08Å; F72-T78 PolarHBondContact O-OG1 3.06Å; D75-T78 PolarHBondContact O-N 2.54Å; D75-T78 VanDerWaalsContact O-N 3.11Å; D75-T78 PolarHBondContact O-OG1 3.36Å; D75-T78 VanDerWaalsContact O-OG1 3.1Å; P76-T78 VanDerWaalsContact C-N 3.28Å; P76-T78 PolarHBondContact O-N 3.2Å; T78-Y80 VanDerWaalsContact C-N 3.26Å; T78-Y80 PolarHBondContact O-N 3.15Å; T78-F81 PolarHBondContact O-N 2.86Å; T78-Y82 WeakPolarHBondContact O-CB 3.02Å; T78-Y82 PolarHBondContact O-N 3.48Å
79	D	59.1	Low	59.8	Low	143 Å²	143	76.1 Å²	76.1	77%	0.765	38%	0.379	S	S	*	.	H	α-helix	trans	-69.8	-25.5	-180	-79	-25.5	0	0	0	112	P83	D79-P83 WeakPolarHBondContact O-CD 3.3Å; D79-P83 VanDerWaalsContact O-CG 3.24Å; D79-P83 WeakPolarHBondContact O-CG 3.31Å
80	Y	65.4	Low	60.2	Low	59 Å²	59	75.1 Å²	75.1	23%	0.231	38%	0.375	C	S	.	.	H	α-helix	trans	-83.9	-44.4	173.8	179.2	-85.1	0	0	0	112.4	E77 T78 K84 I117 Q120 A139	E77-Y80 PolarHBondContact O-N 3.28Å; T78-Y80 VanDerWaalsContact C-N 3.26Å; T78-Y80 PolarHBondContact O-N 3.15Å; Y80-K84 HydrophobicContact CE1-CD 3.81Å; Y80-K84 VanDerWaalsContact CZ-NZ 3.28Å; Y80-K84 PolarHBondContact OH-NZ 2.8Å; Y80-I117 HydrophobicContact CE1-CG2 4.33Å; Y80-Q120 VanDerWaalsContact CD1-NE2 3.29Å; Y80-Q120 HydrophobicContact CE1-CG 4.34Å; Y80-Q120 PolarHBondContact OH-OE1 3.19Å; Y80-A139 HydrophobicContact CG-CB 4.28Å
81	F	65.6	Low	60.7	Low	31 Å²	31	69.8 Å²	69.8	14%	0.136	36%	0.355	C	S	.	.	H	α-helix	trans	-71.1	-44.8	-174.6	-175.8	-90	0	0	0	112.1	I59 F72 E77 T78 K84 Y85 V114 I117	I59-F81 HydrophobicContact CD1-CZ 4.38Å; F72-F81 HydrophobicContact CZ-CE1 4.5Å; E77-F81 WeakPolarHBondContact O-CB 3.19Å; E77-F81 PolarHBondContact O-N 3.25Å; T78-F81 PolarHBondContact O-N 2.86Å; F81-K84 PolarHBondContact O-N 2.78Å; F81-Y85 HydrophobicContact CE1-CD2 4.21Å; F81-Y85 HydrophobicContact CE1-CG 4.23Å; F81-Y85 VanDerWaalsContact O-CB 3.28Å; F81-Y85 WeakPolarHBondContact O-CB 3.48Å; F81-Y85 PolarHBondContact O-N 3.28Å; F81-V114 HydrophobicContact CE2-CG1 4.26Å; F81-V114 HydrophobicContact CZ-CG1 3.68Å; F81-I117 HydrophobicContact CB-CG2 4.36Å; F81-I117 HydrophobicContact CD2-CB 3.93Å; F81-I117 HydrophobicContact CD2-CG2 3.37Å; F81-I117 HydrophobicContact CE2-CB 3.91Å; F81-I117 HydrophobicContact CE2-CD1 4.24Å; F81-I117 HydrophobicContact CE2-CG2 3.88Å; F81-I117 HydrophobicContact CG-CG2 4.05Å; F81-I117 HydrophobicContact CZ-CD1 4.49Å
82	Y	65.8	Low	61.1	Low	47 Å²	47	72.9 Å²	72.9	18%	0.184	37%	0.365	C	S	.	.	H	α-helix	trans	-64.8	-42.5	-170.7	-167.6	-103.8	0	0	0	114.5	K65 A68 T78 K84 Y85 L86	K65-Y82 VanDerWaalsContact CA-OH 3.23Å; K65-Y82 WeakPolarHBondContact CA-OH 3.49Å; K65-Y82 VanDerWaalsContact CB-OH 3.26Å; K65-Y82 WeakPolarHBondContact CB-OH 3.37Å; K65-Y82 HydrophobicContact CD-CE1 4.46Å; K65-Y82 HydrophobicContact CG-CE1 4.02Å; K65-Y82 WeakPolarHBondContact CG-OH 3.39Å; A68-Y82 HydrophobicContact CB-CD2 4.16Å; A68-Y82 HydrophobicContact CB-CE2 3.78Å; T78-Y82 WeakPolarHBondContact O-CB 3.02Å; T78-Y82 PolarHBondContact O-N 3.48Å; Y82-K84 PolarHBondContact O-N 2.79Å; Y82-Y85 HydrophobicContact CD2-CD1 4.5Å; Y82-Y85 PolarHBondContact O-N 3.48Å; Y82-L86 HydrophobicContact CD1-CD1 3.97Å; Y82-L86 HydrophobicContact CD1-CG 4.47Å; Y82-L86 HydrophobicContact CE1-CD1 3.63Å; Y82-L86 HydrophobicContact CE1-CG 4.18Å; Y82-L86 WeakPolarHBondContact O-CG 2.95Å; Y82-L86 PolarHBondContact O-N 3.37Å
83	P	66.7	Low	61.5	Low	71 Å²	71	77.7 Å²	77.7	46%	0.461	39%	0.388	S	S	.	.	H	α-helix	trans	-63.4	-39.9	174.3	-21.5	33.3	0	0	0	113.1	D79 L86 V87	D79-P83 WeakPolarHBondContact O-CD 3.3Å; D79-P83 VanDerWaalsContact O-CG 3.24Å; D79-P83 WeakPolarHBondContact O-CG 3.31Å; P83-L86 PolarHBondContact O-N 2.88Å; P83-V87 WeakPolarHBondContact O-CG2 3.41Å; P83-V87 PolarHBondContact O-N 2.75Å; P83-V87 VanDerWaalsContact O-N 3.14Å
84	K	66.8	Low	62	Low	84 Å²	84	73.8 Å²	73.8	37%	0.365	38%	0.378	S	S	.	.	H	α-helix	trans	-71.7	-37.3	178.1	-69.9	-169.8	173.5	-161.3	0	111.9	Y80 F81 Y82 L86 V87 C88 I117	Y80-K84 HydrophobicContact CE1-CD 3.81Å; Y80-K84 VanDerWaalsContact CZ-NZ 3.28Å; Y80-K84 PolarHBondContact OH-NZ 2.8Å; F81-K84 PolarHBondContact O-N 2.78Å; Y82-K84 PolarHBondContact O-N 2.79Å; K84-L86 PolarHBondContact O-N 2.79Å; K84-V87 WeakPolarHBondContact O-CB 3.08Å; K84-V87 PolarHBondContact O-N 2.79Å; K84-V87 VanDerWaalsContact O-N 3.16Å; K84-C88 PolarHBondContact O-N 2.75Å; K84-I117 HydrophobicContact CB-CD1 4.17Å; K84-I117 HydrophobicContact CB-CG1 4.31Å; K84-I117 HydrophobicContact CB-CG2 3.99Å; K84-I117 HydrophobicContact CD-CG2 4.28Å
85	Y	68.8	Low	62.6	Low	17 Å²	17	68.1 Å²	68.1	7%	0.067	36%	0.358	C	S	.	.	H	α-helix	trans	-59.5	-44.7	171.2	174.2	-105.2	0	0	0	111.1	I59 F81 Y82 V87 C88 L89 V114	I59-Y85 HydrophobicContact CG1-CE2 4.42Å; F81-Y85 HydrophobicContact CE1-CD2 4.21Å; F81-Y85 HydrophobicContact CE1-CG 4.23Å; F81-Y85 VanDerWaalsContact O-CB 3.28Å; F81-Y85 WeakPolarHBondContact O-CB 3.48Å; F81-Y85 PolarHBondContact O-N 3.28Å; Y82-Y85 HydrophobicContact CD2-CD1 4.5Å; Y82-Y85 PolarHBondContact O-N 3.48Å; Y85-V87 VanDerWaalsContact C-N 3.3Å; Y85-V87 PolarHBondContact O-N 3.36Å; Y85-C88 WeakPolarHBondContact O-CB 3.15Å; Y85-C88 PolarHBondContact O-N 2.92Å; Y85-L89 HydrophobicContact CE1-CD1 3.72Å; Y85-L89 HydrophobicContact CE2-CD1 4Å; Y85-L89 VanDerWaalsContact CZ-CD1 3.4Å; Y85-L89 WeakPolarHBondContact O-CB 3.31Å; Y85-L89 PolarHBondContact O-N 3.14Å; Y85-L89 VanDerWaalsContact OH-CD1 3.3Å; Y85-L89 WeakPolarHBondContact OH-CD1 3.29Å; Y85-V114 HydrophobicContact CD2-CG1 4.22Å; Y85-V114 HydrophobicContact CD2-CG2 3.67Å; Y85-V114 HydrophobicContact CE2-CG2 3.96Å
86	L	66.9	Low	62.5	Low	56 Å²	56	72.2 Å²	72.2	29%	0.293	38%	0.379	S	S	.	.	H	α-helix	trans	-62.4	-34.2	174.4	-74.8	173.4	0	0	0	113	Y82 P83 K84 L89 R90	Y82-L86 HydrophobicContact CD1-CD1 3.97Å; Y82-L86 HydrophobicContact CD1-CG 4.47Å; Y82-L86 HydrophobicContact CE1-CD1 3.63Å; Y82-L86 HydrophobicContact CE1-CG 4.18Å; Y82-L86 WeakPolarHBondContact O-CG 2.95Å; Y82-L86 PolarHBondContact O-N 3.37Å; P83-L86 PolarHBondContact O-N 2.88Å; K84-L86 PolarHBondContact O-N 2.79Å; L86-L89 PolarHBondContact O-N 2.85Å; L86-R90 WeakPolarHBondContact O-CB 3.34Å; L86-R90 WeakPolarHBondContact O-CG 3.29Å; L86-R90 PolarHBondContact O-N 3.39Å
87	V	68.6	Low	62.5	Low	88 Å²	88	71.7 Å²	71.7	53%	0.533	37%	0.368	S	S	.	.	H	α-helix	trans	-67.6	-45	173.3	173.1	0	0	0	0	110.8	P83 K84 Y85 L89 R90 S91	P83-V87 WeakPolarHBondContact O-CG2 3.41Å; P83-V87 PolarHBondContact O-N 2.75Å; P83-V87 VanDerWaalsContact O-N 3.14Å; K84-V87 WeakPolarHBondContact O-CB 3.08Å; K84-V87 PolarHBondContact O-N 2.79Å; K84-V87 VanDerWaalsContact O-N 3.16Å; Y85-V87 VanDerWaalsContact C-N 3.3Å; Y85-V87 PolarHBondContact O-N 3.36Å; V87-L89 VanDerWaalsContact C-N 3.32Å; V87-L89 PolarHBondContact O-N 2.81Å; V87-R90 PolarHBondContact O-N 2.94Å; V87-S91 VanDerWaalsContact O-CB 3.31Å; V87-S91 WeakPolarHBondContact O-CB 3.42Å; V87-S91 PolarHBondContact O-N 2.79Å; V87-S91 PolarHBondContact O-OG 2.95Å
88	C	67.2	Low	62.1	Low	7 Å²	7	74.7 Å²	74.7	5%	0.047	39%	0.391	C	S	.	.	H	α-helix	trans	-59	-43.3	172.6	-72.3	0	0	0	0	111.4	K84 Y85 S91 F92 L110 C113 V114	K84-C88 PolarHBondContact O-N 2.75Å; Y85-C88 WeakPolarHBondContact O-CB 3.15Å; Y85-C88 PolarHBondContact O-N 2.92Å; C88-S91 PolarHBondContact O-N 2.93Å; C88-F92 WeakPolarHBondContact O-CB 3.18Å; C88-F92 PolarHBondContact O-N 2.89Å; C88-L110 HydrophobicContact CB-CD1 3.83Å; C88-C113 HydrophobicContact CB-CB 3.85Å; C88-C113 WeakPolarHBondContact CB-SG 3.32Å; C88-C113 WeakPolarHBondContact SG-CB 3.37Å; C88-C113 CovalentContact SG-SG 2.05Å; C88-C113 PolarHBondContact SG-SG 3.49Å; C88-V114 HydrophobicContact CB-CG2 4.21Å
89	L	67.3	Low	61.2	Low	24 Å²	24	78.2 Å²	78.2	13%	0.126	42%	0.423	C	S	.	.	H	α-helix	trans	-67.7	-43.8	-179.3	-148.1	111	0	0	0	112.4	L62 Y85 L86 V87 F92 Q93 L110	L62-L89 HydrophobicContact CD2-CD1 3.73Å; Y85-L89 HydrophobicContact CE1-CD1 3.72Å; Y85-L89 HydrophobicContact CE2-CD1 4Å; Y85-L89 VanDerWaalsContact CZ-CD1 3.4Å; Y85-L89 WeakPolarHBondContact O-CB 3.31Å; Y85-L89 PolarHBondContact O-N 3.14Å; Y85-L89 VanDerWaalsContact OH-CD1 3.3Å; Y85-L89 WeakPolarHBondContact OH-CD1 3.29Å; L86-L89 PolarHBondContact O-N 2.85Å; V87-L89 VanDerWaalsContact C-N 3.32Å; V87-L89 PolarHBondContact O-N 2.81Å; L89-F92 PolarHBondContact O-N 3.38Å; L89-Q93 WeakPolarHBondContact O-CB 3.43Å; L89-Q93 VanDerWaalsContact O-CG 3.32Å; L89-Q93 WeakPolarHBondContact O-CG 3.17Å; L89-Q93 PolarHBondContact O-N 3.43Å; L89-L110 HydrophobicContact CD1-CD2 4.37Å
90	R	62.8	Low	60.1	Low	174 Å²	174	75.9 Å²	75.9	66%	0.657	42%	0.423	S	S	*	.	H	α-helix	trans	-63.4	-41.5	173.3	-78.5	-174.9	-164.7	168.5	6.2	111.5	L86 V87 F92 Q93 S94	L86-R90 WeakPolarHBondContact O-CB 3.34Å; L86-R90 WeakPolarHBondContact O-CG 3.29Å; L86-R90 PolarHBondContact O-N 3.39Å; V87-R90 PolarHBondContact O-N 2.94Å; R90-F92 VanDerWaalsContact C-N 3.26Å; R90-F92 PolarHBondContact O-N 2.95Å; R90-Q93 PolarHBondContact O-N 3.47Å; R90-S94 VanDerWaalsContact O-CB 3.28Å; R90-S94 WeakPolarHBondContact O-CB 3.42Å; R90-S94 PolarHBondContact O-N 2.99Å; R90-S94 PolarHBondContact O-OG 3.16Å
91	S	63.8	Low	59.3	Low	43 Å²	43	84.4 Å²	84.4	30%	0.301	46%	0.455	S	S	.	.	H	α-helix	trans	-64.1	-34.1	177.3	-56.1	0	0	0	0	111.6	V87 C88 S94	V87-S91 VanDerWaalsContact O-CB 3.31Å; V87-S91 WeakPolarHBondContact O-CB 3.42Å; V87-S91 PolarHBondContact O-N 2.79Å; V87-S91 PolarHBondContact O-OG 2.95Å; C88-S91 PolarHBondContact O-N 2.93Å; S91-S94 PolarHBondContact O-OG 2.92Å
92	F	63.6	Low	58.3	Low	108 Å²	108	92.6 Å²	92.6	47%	0.474	49%	0.493	S	S	.	.	H	α-helix	trans	-71.1	-46.5	173.3	-174.5	-105.2	0	0	0	113.2	C88 L89 R90 S94 G95 F97 L110	C88-F92 WeakPolarHBondContact O-CB 3.18Å; C88-F92 PolarHBondContact O-N 2.89Å; L89-F92 PolarHBondContact O-N 3.38Å; R90-F92 VanDerWaalsContact C-N 3.26Å; R90-F92 PolarHBondContact O-N 2.95Å; F92-S94 PolarHBondContact O-N 2.88Å; F92-G95 PolarHBondContact O-N 3.49Å; F92-F97 VanDerWaalsContact CA-CE2 3.49Å; F92-F97 HydrophobicContact CB-CD2 4.32Å; F92-F97 HydrophobicContact CB-CE2 3.85Å; F92-F97 AromaticContact CD2-CD2 3.93Å; F92-F97 HydrophobicContact CD2-CD2 3.93Å; F92-F97 AromaticContact CD2-CE2 4Å; F92-F97 HydrophobicContact CD2-CE2 4Å; F92-F97 HydrophobicContact CG-CE2 4.44Å; F92-L110 HydrophobicContact CB-CB 4.27Å; F92-L110 HydrophobicContact CB-CD1 4.02Å; F92-L110 HydrophobicContact CB-CD2 4.48Å; F92-L110 HydrophobicContact CB-CG 4.49Å; F92-L110 HydrophobicContact CD1-CB 4.47Å; F92-L110 HydrophobicContact CD1-CD2 3.98Å; F92-L110 HydrophobicContact CD2-CB 3.7Å; F92-L110 HydrophobicContact CE1-CD2 4.37Å; F92-L110 HydrophobicContact CE2-CB 4.1Å; F92-L110 HydrophobicContact CG-CB 3.9Å; F92-L110 HydrophobicContact CG-CD1 4.44Å; F92-L110 HydrophobicContact CG-CD2 4.14Å; F92-L110 HydrophobicContact CG-CG 4.39Å
93	Q	61.9	Low	57	Low	139 Å²	139	94 Å²	94	65%	0.65	51%	0.51	S	S	*	.	H	α-helix	trans	-70.5	-28.4	-179.7	-72.7	176.2	-10.7	0	0	113.7	L89 R90 G95	L89-Q93 WeakPolarHBondContact O-CB 3.43Å; L89-Q93 VanDerWaalsContact O-CG 3.32Å; L89-Q93 WeakPolarHBondContact O-CG 3.17Å; L89-Q93 PolarHBondContact O-N 3.43Å; R90-Q93 PolarHBondContact O-N 3.47Å; Q93-G95 VanDerWaalsContact C-N 3.25Å; Q93-G95 PolarHBondContact O-N 2.89Å
94	S	56.1	Low	56	Low	75 Å²	75	97.5 Å²	97.5	52%	0.524	53%	0.53	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	2.7	178.9	52.6	0	0	0	0	114.2	R90 S91 F92 L96	R90-S94 VanDerWaalsContact O-CB 3.28Å; R90-S94 WeakPolarHBondContact O-CB 3.42Å; R90-S94 PolarHBondContact O-N 2.99Å; R90-S94 PolarHBondContact O-OG 3.16Å; S91-S94 PolarHBondContact O-OG 2.92Å; F92-S94 PolarHBondContact O-N 2.88Å; S94-L96 PolarHBondContact O-N 2.81Å
95	G	58	Low	55.1	Low	44 Å²	44	97.1 Å²	97.1	45%	0.454	53%	0.532	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.2	14.8	175.8	0	0	0	0	0	114.5	F92 Q93 F97 T98	F92-G95 PolarHBondContact O-N 3.49Å; Q93-G95 VanDerWaalsContact C-N 3.25Å; Q93-G95 PolarHBondContact O-N 2.89Å; G95-F97 PolarHBondContact O-N 2.89Å; G95-T98 PolarHBondContact O-N 3.32Å
96	L	52.2	Low	54.4	Low	136 Å²	136	99.8 Å²	99.8	71%	0.712	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.9	0.8	-179.9	-112.2	112.9	0	0	0	114.1	S94 T98	S94-L96 PolarHBondContact O-N 2.81Å; L96-T98 VanDerWaalsContact C-N 3.31Å
97	F	52.3	Low	54.1	Low	76 Å²	76	100.1 Å²	100.1	33%	0.333	56%	0.556	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85.7	5.5	175.3	-71.7	-63.8	0	0	0	114.6	F92 G95 Y107	F92-F97 VanDerWaalsContact CA-CE2 3.49Å; F92-F97 HydrophobicContact CB-CD2 4.32Å; F92-F97 HydrophobicContact CB-CE2 3.85Å; F92-F97 AromaticContact CD2-CD2 3.93Å; F92-F97 HydrophobicContact CD2-CD2 3.93Å; F92-F97 AromaticContact CD2-CE2 4Å; F92-F97 HydrophobicContact CD2-CE2 4Å; F92-F97 HydrophobicContact CG-CE2 4.44Å; G95-F97 PolarHBondContact O-N 2.89Å; F97-Y107 WeakPolarHBondContact CD1-O 3.48Å; F97-Y107 WeakPolarHBondContact CE1-O 3.5Å
98	T	46.3	Very low	53.6	Low	124 Å²	124	101 Å²	101	76%	0.761	56%	0.563	S	S	*	*	S	Bend	trans	-114.9	111.5	165.5	48.7	0	0	0	0	111.5	G95 L96	G95-T98 PolarHBondContact O-N 3.32Å; L96-T98 VanDerWaalsContact C-N 3.31Å
99	A	40.3	Very low	53.4	Low	97 Å²	97	103.8 Å²	103.8	80%	0.802	58%	0.577	S	S	*	*	S	Bend	trans	88.6	95	168.9	0	0	0	0	0	116.7
100	A	35.1	Very low	53.2	Low	93 Å²	93	103.6 Å²	103.6	77%	0.769	58%	0.577	S	S	*	*				166.9	139.7	105.4	0	0	0	0	0	111.9
101	R	48.7	Very low	53.2	Low	239 Å²	239	101.4 Å²	101.4	90%	0.902	57%	0.568	S	S	*	*			trans	-44.2	151.3	155	-77.3	168.7	160.7	175.2	-5.9	111.2
102	Q	46.1	Very low	53.4	Low	202 Å²	202	101.3 Å²	101.3	94%	0.944	57%	0.568	S	S	*	*			trans	93	50.5	167.2	-60	176.9	-37.1	0	0	117.7
103	S	37.8	Very low	53.5	Low	77 Å²	77	96.8 Å²	96.8	54%	0.538	55%	0.549	S	S	.	.			trans	-144.7	132.7	145.8	168.3	0	0	0	0	107.1	D105	S103-D105 PolarHBondContact O-N 2.91Å; S103-D105 PolarHBondContact OG-N 3.24Å
104	T	44.9	Very low	53.7	Low	144 Å²	144	90.3 Å²	90.3	88%	0.883	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-6.7	174.7	39.2	0	0	0	0	112.9
105	D	48.7	Very low	54	Low	76 Å²	76	91.8 Å²	91.8	41%	0.406	52%	0.521	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.9	40.8	-177.4	-63.7	-33.9	0	0	0	112.8	S103	S103-D105 PolarHBondContact O-N 2.91Å; S103-D105 PolarHBondContact OG-N 3.24Å
106	A	54.8	Low	54.2	Low	73 Å²	73	90.8 Å²	90.8	60%	0.603	51%	0.508	S	S	*	.			trans	-110.6	105.2	176.1	0	0	0	0	0	111.3
107	Y	58.8	Low	54.7	Low	63 Å²	63	84.8 Å²	84.8	25%	0.247	48%	0.477	C	S	.	.			trans	-71.6	144.1	177.4	-59.9	-76.4	0	0	0	111.6	F97 S112 C113 A116	F97-Y107 WeakPolarHBondContact CD1-O 3.48Å; F97-Y107 WeakPolarHBondContact CE1-O 3.5Å; Y107-S112 WeakPolarHBondContact CD1-O 3.46Å; Y107-C113 HydrophobicContact CD2-CB 3.79Å; Y107-C113 HydrophobicContact CG-CB 3.86Å; Y107-A116 HydrophobicContact CD1-CB 4.15Å; Y107-A116 HydrophobicContact CE1-CB 3.2Å; Y107-A116 HydrophobicContact CE2-CB 4.44Å; Y107-A116 WeakPolarHBondContact OH-CB 3.47Å
108	P	58.5	Low	55.1	Low	106 Å²	106	83.8 Å²	83.8	69%	0.688	48%	0.478	S	S	*	.	S	Bend	trans	-77	-23.5	-175.2	27	-34.7	0	0	0	114.7
109	D	63	Low	56.1	Low	66 Å²	66	81.3 Å²	81.3	35%	0.353	46%	0.46	S	S	.	.	S	Bend	trans	-150.8	166.2	178.7	65.7	-13.1	0	0	0	111	R111 S112 C113	D109-R111 PolarHBondContact O-N 2.81Å; D109-S112 PolarHBondContact O-N 2.88Å; D109-S112 WeakPolarHBondContact OD1-CA 3.32Å; D109-S112 WeakPolarHBondContact OD1-CB 3.27Å; D109-S112 PolarHBondContact OD1-N 3.11Å; D109-S112 PolarHBondContact OD1-OG 2.73Å; D109-C113 PolarHBondContact O-N 2.97Å
110	L	63.5	Low	57.6	Low	21 Å²	21	77.1 Å²	77.1	11%	0.11	42%	0.424	C	S	.	.	H	α-helix	trans	-55.3	-36.9	177.6	-178.3	62.7	0	0	0	110.9	L62 C88 L89 F92 C113 V114	L62-L110 HydrophobicContact CD2-CD2 4.48Å; C88-L110 HydrophobicContact CB-CD1 3.83Å; L89-L110 HydrophobicContact CD1-CD2 4.37Å; F92-L110 HydrophobicContact CB-CB 4.27Å; F92-L110 HydrophobicContact CB-CD1 4.02Å; F92-L110 HydrophobicContact CB-CD2 4.48Å; F92-L110 HydrophobicContact CB-CG 4.49Å; F92-L110 HydrophobicContact CD1-CB 4.47Å; F92-L110 HydrophobicContact CD1-CD2 3.98Å; F92-L110 HydrophobicContact CD2-CB 3.7Å; F92-L110 HydrophobicContact CE1-CD2 4.37Å; F92-L110 HydrophobicContact CE2-CB 4.1Å; F92-L110 HydrophobicContact CG-CB 3.9Å; F92-L110 HydrophobicContact CG-CD1 4.44Å; F92-L110 HydrophobicContact CG-CD2 4.14Å; F92-L110 HydrophobicContact CG-CG 4.39Å; L110-C113 PolarHBondContact O-N 2.92Å; L110-V114 HydrophobicContact CD1-CG2 4.06Å; L110-V114 HydrophobicContact CG-CG2 4.3Å; L110-V114 WeakPolarHBondContact O-CB 3.29Å; L110-V114 WeakPolarHBondContact O-CG2 3.21Å; L110-V114 PolarHBondContact O-N 3.23Å
111	R	62.6	Low	59.5	Low	128 Å²	128	73.7 Å²	73.7	48%	0.483	40%	0.395	S	S	.	.	H	α-helix	trans	-65.6	-43.2	-179.7	-159.3	177.4	-168	-167	6	112.4	D109 V114 N115	D109-R111 PolarHBondContact O-N 2.81Å; R111-V114 PolarHBondContact O-N 2.79Å; R111-N115 VanDerWaalsContact O-CB 3.24Å; R111-N115 WeakPolarHBondContact O-CB 3.37Å; R111-N115 PolarHBondContact O-N 3.37Å; R111-N115 PolarHBondContact O-ND2 3Å
112	S	67.2	Low	60.8	Low	41 Å²	41	64.7 Å²	64.7	29%	0.287	37%	0.368	S	S	.	.	H	α-helix	trans	-69.3	-35.5	176.2	-59	0	0	0	0	112.2	Y107 D109 A116	Y107-S112 WeakPolarHBondContact CD1-O 3.46Å; D109-S112 PolarHBondContact O-N 2.88Å; D109-S112 WeakPolarHBondContact OD1-CA 3.32Å; D109-S112 WeakPolarHBondContact OD1-CB 3.27Å; D109-S112 PolarHBondContact OD1-N 3.11Å; D109-S112 PolarHBondContact OD1-OG 2.73Å; S112-A116 PolarHBondContact O-N 3.43Å
113	C	67.3	Low	61.9	Low	13 Å²	13	59 Å²	59	9%	0.088	35%	0.349	C	S	.	.	H	α-helix	trans	-61.7	-48.3	173.8	-165.8	0	0	0	0	110.9	C88 Y107 D109 L110 A116 I117	C88-C113 HydrophobicContact CB-CB 3.85Å; C88-C113 WeakPolarHBondContact CB-SG 3.32Å; C88-C113 WeakPolarHBondContact SG-CB 3.37Å; C88-C113 CovalentContact SG-SG 2.05Å; C88-C113 PolarHBondContact SG-SG 3.49Å; Y107-C113 HydrophobicContact CD2-CB 3.79Å; Y107-C113 HydrophobicContact CG-CB 3.86Å; D109-C113 PolarHBondContact O-N 2.97Å; L110-C113 PolarHBondContact O-N 2.92Å; C113-A116 PolarHBondContact O-N 2.86Å; C113-I117 WeakPolarHBondContact O-CG1 3.35Å; C113-I117 PolarHBondContact O-N 2.91Å
114	V	64.9	Low	63.9	Low	2 Å²	2	58.2 Å²	58.2	1%	0.012	34%	0.338	C	S	.	.	H	α-helix	trans	-69.9	-37	-178.4	176.6	0	0	0	0	112.2	I59 F81 Y85 C88 L110 R111 A116 I117 P118	I59-V114 HydrophobicContact CD1-CG1 3.54Å; I59-V114 HydrophobicContact CG1-CG1 3.99Å; I59-V114 HydrophobicContact CG2-CG1 4.47Å; F81-V114 HydrophobicContact CE2-CG1 4.26Å; F81-V114 HydrophobicContact CZ-CG1 3.68Å; Y85-V114 HydrophobicContact CD2-CG1 4.22Å; Y85-V114 HydrophobicContact CD2-CG2 3.67Å; Y85-V114 HydrophobicContact CE2-CG2 3.96Å; C88-V114 HydrophobicContact CB-CG2 4.21Å; L110-V114 HydrophobicContact CD1-CG2 4.06Å; L110-V114 HydrophobicContact CG-CG2 4.3Å; L110-V114 WeakPolarHBondContact O-CB 3.29Å; L110-V114 WeakPolarHBondContact O-CG2 3.21Å; L110-V114 PolarHBondContact O-N 3.23Å; R111-V114 PolarHBondContact O-N 2.79Å; V114-A116 PolarHBondContact O-N 2.91Å; V114-I117 HydrophobicContact CB-CD1 4.37Å; V114-I117 HydrophobicContact CG1-CD1 4.4Å; V114-I117 HydrophobicContact CG2-CD1 4.28Å; V114-I117 WeakPolarHBondContact O-CB 3.39Å; V114-I117 PolarHBondContact O-N 3.13Å; V114-P118 WeakPolarHBondContact O-CD 3.26Å
115	N	63.9	Low	65.6	Low	107 Å²	107	52.9 Å²	52.9	57%	0.572	31%	0.306	S	S	*	.	H	α-helix	trans	-68.8	-15.2	176.7	-73.1	-17	0	0	0	114.2	R111 P118	R111-N115 VanDerWaalsContact O-CB 3.24Å; R111-N115 WeakPolarHBondContact O-CB 3.37Å; R111-N115 PolarHBondContact O-N 3.37Å; R111-N115 PolarHBondContact O-ND2 3Å; N115-P118 WeakPolarHBondContact O-CD 3.46Å
116	A	61.3	Low	67.4	Low	22 Å²	22	49.6 Å²	49.6	18%	0.182	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-9	175.8	0	0	0	0	0	113.4	Y107 S112 C113 V114 P118 D119	Y107-A116 HydrophobicContact CD1-CB 4.15Å; Y107-A116 HydrophobicContact CE1-CB 3.2Å; Y107-A116 HydrophobicContact CE2-CB 4.44Å; Y107-A116 WeakPolarHBondContact OH-CB 3.47Å; S112-A116 PolarHBondContact O-N 3.43Å; C113-A116 PolarHBondContact O-N 2.86Å; V114-A116 PolarHBondContact O-N 2.91Å; A116-P118 VanDerWaalsContact C-N 3.35Å; A116-D119 PolarHBondContact O-N 3.41Å
117	I	63.4	Low	68.8	Low	10 Å²	10	48.5 Å²	48.5	5%	0.051	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-31.5	173.2	-57.5	175.3	0	0	0	113.3	Y80 F81 K84 C113 V114 D119 Q120	Y80-I117 HydrophobicContact CE1-CG2 4.33Å; F81-I117 HydrophobicContact CB-CG2 4.36Å; F81-I117 HydrophobicContact CD2-CB 3.93Å; F81-I117 HydrophobicContact CD2-CG2 3.37Å; F81-I117 HydrophobicContact CE2-CB 3.91Å; F81-I117 HydrophobicContact CE2-CD1 4.24Å; F81-I117 HydrophobicContact CE2-CG2 3.88Å; F81-I117 HydrophobicContact CG-CG2 4.05Å; F81-I117 HydrophobicContact CZ-CD1 4.49Å; K84-I117 HydrophobicContact CB-CD1 4.17Å; K84-I117 HydrophobicContact CB-CG1 4.31Å; K84-I117 HydrophobicContact CB-CG2 3.99Å; K84-I117 HydrophobicContact CD-CG2 4.28Å; C113-I117 WeakPolarHBondContact O-CG1 3.35Å; C113-I117 PolarHBondContact O-N 2.91Å; V114-I117 HydrophobicContact CB-CD1 4.37Å; V114-I117 HydrophobicContact CG1-CD1 4.4Å; V114-I117 HydrophobicContact CG2-CD1 4.28Å; V114-I117 WeakPolarHBondContact O-CB 3.39Å; V114-I117 PolarHBondContact O-N 3.13Å; I117-D119 VanDerWaalsContact C-N 3.3Å; I117-D119 PolarHBondContact O-N 3.16Å; I117-Q120 PolarHBondContact O-NE2 3.48Å; I117-Q120 PolarHBondContact O-OE1 2.87Å
118	P	59.5	Low	69.9	Low	56 Å²	56	52.6 Å²	52.6	36%	0.364	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-30.6	175.8	-20.8	32.8	0	0	0	113.1	V114 N115 A116 Q120 D136	V114-P118 WeakPolarHBondContact O-CD 3.26Å; N115-P118 WeakPolarHBondContact O-CD 3.46Å; A116-P118 VanDerWaalsContact C-N 3.35Å; P118-Q120 PolarHBondContact O-N 3.44Å; P118-Q120 PolarHBondContact O-NE2 2.94Å; P118-Q120 PolarHBondContact O-OE1 2.8Å; P118-D136 VanDerWaalsContact O-OD1 3.06Å
119	D	67.8	Low	70.9	Confident	71 Å²	71	53 Å²	53	38%	0.38	29%	0.291	S	S	.	.			trans	-83.2	100.7	-177.1	-176.1	-0.4	0	0	0	111.4	A116 I117 C121 S122	A116-D119 PolarHBondContact O-N 3.41Å; I117-D119 VanDerWaalsContact C-N 3.3Å; I117-D119 PolarHBondContact O-N 3.16Å; D119-C121 PolarHBondContact O-N 3.43Å; D119-C121 VanDerWaalsContact OD1-CB 3.3Å; D119-C121 WeakPolarHBondContact OD1-CB 3.34Å; D119-C121 PolarHBondContact OD1-N 3.25Å; D119-S122 PolarHBondContact O-N 3.41Å
120	Q	72	Confident	71.8	Confident	9 Å²	9	49.9 Å²	49.9	4%	0.042	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	2.5	-177	-44.5	-34.8	2.7	0	0	113.7	Y80 I117 P118 P125 D136 F141	Y80-Q120 VanDerWaalsContact CD1-NE2 3.29Å; Y80-Q120 HydrophobicContact CE1-CG 4.34Å; Y80-Q120 PolarHBondContact OH-OE1 3.19Å; I117-Q120 PolarHBondContact O-NE2 3.48Å; I117-Q120 PolarHBondContact O-OE1 2.87Å; P118-Q120 PolarHBondContact O-N 3.44Å; P118-Q120 PolarHBondContact O-NE2 2.94Å; P118-Q120 PolarHBondContact O-OE1 2.8Å; Q120-P125 WeakPolarHBondContact O-CG 3.48Å; Q120-D136 WeakPolarHBondContact CB-OD1 3.2Å; Q120-D136 VanDerWaalsContact CG-OD1 3.29Å; Q120-D136 WeakPolarHBondContact CG-OD1 3.46Å; Q120-D136 PolarHBondContact N-OD1 3.18Å; Q120-F141 HydrophobicContact CB-CB 3.96Å
121	C	75.5	Confident	72.9	Confident	22 Å²	22	52.4 Å²	52.4	15%	0.149	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98	5.7	177	-64.2	0	0	0	0	113.8	D119 P123 L124 C134	D119-C121 PolarHBondContact O-N 3.43Å; D119-C121 VanDerWaalsContact OD1-CB 3.3Å; D119-C121 WeakPolarHBondContact OD1-CB 3.34Å; D119-C121 PolarHBondContact OD1-N 3.25Å; C121-P123 CarbonylContact O-C 3.24Å; C121-L124 VanDerWaalsContact O-CA 3.3Å; C121-L124 WeakPolarHBondContact O-CA 3.41Å; C121-L124 PolarHBondContact O-N 3.45Å; C121-C134 VanDerWaalsContact CA-SG 3.6Å; C121-C134 HydrophobicContact CB-CB 3.68Å; C121-C134 WeakPolarHBondContact CB-SG 3.4Å; C121-C134 WeakPolarHBondContact SG-CB 3.27Å; C121-C134 CovalentContact SG-SG 2.03Å; C121-C134 PolarHBondContact SG-SG 3.33Å
122	S	74.9	Confident	74	Confident	49 Å²	49	51.9 Å²	51.9	34%	0.343	29%	0.287	S	S	.	.	S	Bend	trans	-131.8	115.1	178.4	-170.4	0	0	0	0	112.7	D119	D119-S122 PolarHBondContact O-N 3.41Å
123	P	69.7	Low	74.9	Confident	84 Å²	84	52.1 Å²	52.1	55%	0.545	29%	0.288	S	S	.	.	S	Bend	cis	-68.2	151	-1	29.6	-35.6	0	0	0	111.8	C121 P125	C121-P123 CarbonylContact O-C 3.24Å; P123-P125 WeakPolarHBondContact O-CD 3.33Å
124	L	78.9	Confident	75.7	Confident	60 Å²	60	53 Å²	53	31%	0.314	29%	0.294	S	S	.	.			trans	-55	113.1	-172.2	-176.4	72.2	0	0	0	111.3	C121 C126 E128 Y131 C134	C121-L124 VanDerWaalsContact O-CA 3.3Å; C121-L124 WeakPolarHBondContact O-CA 3.41Å; C121-L124 PolarHBondContact O-N 3.45Å; L124-C126 VanDerWaalsContact C-N 3.32Å; L124-C126 HydrophobicContact CD1-CB 4.32Å; L124-C126 HydrophobicContact CG-CB 4.34Å; L124-E128 HydrophobicContact CD2-CG 4.21Å; L124-Y131 HydrophobicContact CD1-CD2 3.93Å; L124-Y131 HydrophobicContact CD1-CE2 3.6Å; L124-Y131 HydrophobicContact CD2-CD1 4.06Å; L124-Y131 HydrophobicContact CD2-CD2 4.11Å; L124-Y131 HydrophobicContact CD2-CE1 3.55Å; L124-Y131 HydrophobicContact CD2-CE2 3.61Å; L124-Y131 HydrophobicContact CD2-CG 4.31Å; L124-Y131 HydrophobicContact CG-CE2 4.25Å; L124-C134 HydrophobicContact CD1-CB 4.07Å
125	P	81.1	Confident	76.6	Confident	32 Å²	32	59 Å²	59	21%	0.208	32%	0.32	C	S	.	.			trans	-81.8	-13.4	-178.1	33.1	-36.6	0	0	0	113.1	Q120 P123 F141 K153	Q120-P125 WeakPolarHBondContact O-CG 3.48Å; P123-P125 WeakPolarHBondContact O-CD 3.33Å; P125-F141 HydrophobicContact CB-CD1 4.22Å; P125-F141 HydrophobicContact CB-CD2 4.05Å; P125-F141 HydrophobicContact CB-CE1 4.09Å; P125-F141 HydrophobicContact CB-CE2 3.92Å; P125-F141 HydrophobicContact CB-CG 4.22Å; P125-F141 HydrophobicContact CB-CZ 3.96Å; P125-F141 HydrophobicContact CG-CB 4.2Å; P125-F141 HydrophobicContact CG-CD1 4.09Å; P125-F141 HydrophobicContact CG-CD2 3.58Å; P125-F141 HydrophobicContact CG-CE1 4.43Å; P125-F141 HydrophobicContact CG-CE2 3.97Å; P125-F141 HydrophobicContact CG-CG 3.67Å; P125-F141 HydrophobicContact CG-CZ 4.39Å; P125-K153 WeakPolarHBondContact O-CD 3.21Å
126	C	85.8	Confident	77.2	Confident	7 Å²	7	57.8 Å²	57.8	5%	0.047	31%	0.314	C	S	.	.	S	Bend	trans	-86.5	151.2	-179.2	-43.2	0	0	0	0	111.5	L124 E128 Y131 C143	L124-C126 VanDerWaalsContact C-N 3.32Å; L124-C126 HydrophobicContact CD1-CB 4.32Å; L124-C126 HydrophobicContact CG-CB 4.34Å; C126-E128 PolarHBondContact O-N 2.96Å; C126-Y131 VanDerWaalsContact CB-CB 3.43Å; C126-Y131 HydrophobicContact CB-CD2 4.13Å; C126-Y131 HydrophobicContact CB-CG 3.86Å; C126-C143 VanDerWaalsContact CA-SG 3.53Å; C126-C143 HydrophobicContact CB-CB 3.85Å; C126-C143 WeakPolarHBondContact CB-SG 3.4Å; C126-C143 WeakPolarHBondContact SG-CB 3.48Å; C126-C143 CovalentContact SG-SG 2.02Å; C126-C143 PolarHBondContact SG-SG 2.68Å
127	N	84.7	Confident	77.5	Confident	49 Å²	49	58 Å²	58	26%	0.262	32%	0.318	S	S	.	.			trans	-62.3	123.6	173.4	-179.3	-30.9	0	0	0	110.4	D129 G130 Y131 K153 C154	N127-D129 VanDerWaalsContact C-N 3.25Å; N127-D129 PolarHBondContact O-N 3.47Å; N127-D129 PolarHBondContact OD1-N 3.25Å; N127-G130 PolarHBondContact O-N 2.83Å; N127-G130 VanDerWaalsContact O-N 3.13Å; N127-Y131 WeakPolarHBondContact O-CB 3.38Å; N127-Y131 WeakPolarHBondContact O-CD1 3.49Å; N127-Y131 PolarHBondContact O-N 2.89Å; N127-K153 PolarHBondContact N-O 2.83Å; N127-C154 WeakPolarHBondContact CB-O 3.34Å
128	E	81.8	Confident	77.7	Confident	149 Å²	149	62.7 Å²	62.7	70%	0.696	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-35.1	-177	-66.2	-169.5	165.5	0	0	113.7	L124 C126 Y131	L124-E128 HydrophobicContact CD2-CG 4.21Å; C126-E128 PolarHBondContact O-N 2.96Å; E128-Y131 VanDerWaalsContact O-CD1 3.31Å; E128-Y131 WeakPolarHBondContact O-CD1 3.07Å; E128-Y131 VanDerWaalsContact O-CE1 3.31Å; E128-Y131 WeakPolarHBondContact O-CE1 3.49Å
129	D	81.1	Confident	77.9	Confident	115 Å²	115	61.4 Å²	61.4	62%	0.615	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-35.6	-179.5	-66.3	-41.4	0	0	0	111.7	N127 K146 W149	N127-D129 VanDerWaalsContact C-N 3.25Å; N127-D129 PolarHBondContact O-N 3.47Å; N127-D129 PolarHBondContact OD1-N 3.25Å; D129-K146 WeakPolarHBondContact O-CD 3.44Å; D129-K146 PolarHBondContact O-NZ 3.37Å; D129-W149 HydrophobicContact CB-CH2 4.03Å; D129-W149 HydrophobicContact CB-CZ2 4.08Å
130	G	81.4	Confident	78.1	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100	-17.5	-169.3	0	0	0	0	0	116.9	N127 K146	N127-G130 PolarHBondContact O-N 2.83Å; N127-G130 VanDerWaalsContact O-N 3.13Å; G130-K146 WeakPolarHBondContact O-CB 3.34Å; G130-K146 PolarHBondContact O-N 3.18Å
131	Y	86.2	Confident	78.4	Confident	75 Å²	75	63.7 Å²	63.7	29%	0.294	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	141.4	-175.9	86.5	-62.3	0	0	0	113.5	L124 C126 N127 E128 K146	L124-Y131 HydrophobicContact CD1-CD2 3.93Å; L124-Y131 HydrophobicContact CD1-CE2 3.6Å; L124-Y131 HydrophobicContact CD2-CD1 4.06Å; L124-Y131 HydrophobicContact CD2-CD2 4.11Å; L124-Y131 HydrophobicContact CD2-CE1 3.55Å; L124-Y131 HydrophobicContact CD2-CE2 3.61Å; L124-Y131 HydrophobicContact CD2-CG 4.31Å; L124-Y131 HydrophobicContact CG-CE2 4.25Å; C126-Y131 VanDerWaalsContact CB-CB 3.43Å; C126-Y131 HydrophobicContact CB-CD2 4.13Å; C126-Y131 HydrophobicContact CB-CG 3.86Å; N127-Y131 WeakPolarHBondContact O-CB 3.38Å; N127-Y131 WeakPolarHBondContact O-CD1 3.49Å; N127-Y131 PolarHBondContact O-N 2.89Å; E128-Y131 VanDerWaalsContact O-CD1 3.31Å; E128-Y131 WeakPolarHBondContact O-CD1 3.07Å; E128-Y131 VanDerWaalsContact O-CE1 3.31Å; E128-Y131 WeakPolarHBondContact O-CE1 3.49Å; Y131-K146 WeakPolarHBondContact O-CE 3.18Å
132	M	85.8	Confident	78.8	Confident	116 Å²	116	66.6 Å²	66.6	57%	0.571	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.7	-46.9	172.6	-177.2	70.4	76.3	0	0	111.1	T144 K146	M132-T144 WeakPolarHBondContact CA-O 3.1Å; M132-T144 VanDerWaalsContact CB-O 3.3Å; M132-T144 WeakPolarHBondContact CB-O 2.93Å; M132-T144 PolarHBondContact N-O 2.89Å; M132-K146 HydrophobicContact CB-CG 4.06Å; M132-K146 HydrophobicContact CE-CB 4.39Å; M132-K146 HydrophobicContact CE-CG 3.92Å; M132-K146 HydrophobicContact SD-CG 4.41Å
133	S	86.1	Confident	79.4	Confident	46 Å²	46	64.9 Å²	64.9	32%	0.322	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	136.9	176.7	61	0	0	0	0	110.5	T144	S133-T144 PolarHBondContact N-O 2.93Å; S133-T144 VanDerWaalsContact O-CB 3.31Å; S133-T144 WeakPolarHBondContact O-CB 3.4Å; S133-T144 PolarHBondContact O-N 2.91Å; S133-T144 PolarHBondContact O-OG1 3.1Å; S133-T144 VanDerWaalsContact O-OG1 3.12Å; S133-T144 WeakPolarHBondContact OG-CB 3.4Å; S133-T144 PolarHBondContact OG-OG1 2.77Å
134	C	84.3	Confident	80.2	Confident	31 Å²	31	63.4 Å²	63.4	21%	0.209	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	126.6	168.6	-175.1	0	0	0	0	108.7	C121 L124	C121-C134 VanDerWaalsContact CA-SG 3.6Å; C121-C134 HydrophobicContact CB-CB 3.68Å; C121-C134 WeakPolarHBondContact CB-SG 3.4Å; C121-C134 WeakPolarHBondContact SG-CB 3.27Å; C121-C134 CovalentContact SG-SG 2.03Å; C121-C134 PolarHBondContact SG-SG 3.33Å; L124-C134 HydrophobicContact CD1-CB 4.07Å
135	K	83	Confident	80.6	Confident	129 Å²	129	62.3 Å²	62.3	56%	0.561	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.4	122.7	172.7	-66.5	-174.2	-177.7	179.5	0	108.6	T142	K135-T142 PolarHBondContact N-O 2.93Å; K135-T142 PolarHBondContact O-N 2.92Å
136	D	76.8	Confident	80.9	Confident	81 Å²	81	64.3 Å²	64.3	43%	0.433	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-68.9	149.8	172.4	-174.8	37.6	0	0	0	111.2	P118 Q120	P118-D136 VanDerWaalsContact O-OD1 3.06Å; Q120-D136 WeakPolarHBondContact CB-OD1 3.2Å; Q120-D136 VanDerWaalsContact CG-OD1 3.29Å; Q120-D136 WeakPolarHBondContact CG-OD1 3.46Å; Q120-D136 PolarHBondContact N-OD1 3.18Å
137	G	69	Low	80.8	Confident	27 Å²	27	69.2 Å²	69.2	28%	0.278	38%	0.376	S	S	.	.			trans	-159.4	161.6	-176.4	0	0	0	0	0	111.9	A139 S140	G137-A139 PolarHBondContact O-N 2.83Å; G137-S140 CarbonylContact C-O 3.57Å; G137-S140 VanDerWaalsContact C-O 3.24Å; G137-S140 WeakPolarHBondContact CA-O 3.23Å; G137-S140 PolarHBondContact N-O 2.98Å; G137-S140 VanDerWaalsContact N-O 3.1Å; G137-S140 PolarHBondContact O-N 3.43Å
138	K	66.7	Low	80.7	Confident	109 Å²	109	67.5 Å²	67.5	47%	0.474	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	103.4	-179.2	-71.7	-171.9	162.9	-149.8	0	111	D75 S140	D75-K138 IonicContact OD2-NZ 3.1Å; D75-K138 PolarHBondContact OD2-NZ 2.74Å; K138-S140 PolarHBondContact O-N 2.93Å; K138-S140 VanDerWaalsContact O-N 3.09Å
139	A	63.2	Low	81	Confident	28 Å²	28	62 Å²	62	23%	0.231	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.5	13.5	-176.4	0	0	0	0	0	116.3	P76 Y80 G137	P76-A139 WeakPolarHBondContact O-CB 3.45Å; Y80-A139 HydrophobicContact CG-CB 4.28Å; G137-A139 PolarHBondContact O-N 2.83Å
140	S	71.8	Confident	81.3	Confident	68 Å²	68	61.4 Å²	61.4	48%	0.476	34%	0.336	S	S	.	.			trans	-147.5	138.7	-174.9	179.9	0	0	0	0	109.5	G137 K138	G137-S140 CarbonylContact C-O 3.57Å; G137-S140 VanDerWaalsContact C-O 3.24Å; G137-S140 WeakPolarHBondContact CA-O 3.23Å; G137-S140 PolarHBondContact N-O 2.98Å; G137-S140 VanDerWaalsContact N-O 3.1Å; G137-S140 PolarHBondContact O-N 3.43Å; K138-S140 PolarHBondContact O-N 2.93Å; K138-S140 VanDerWaalsContact O-N 3.09Å
141	F	79.9	Confident	81.5	Confident	61 Å²	61	63.1 Å²	63.1	27%	0.268	35%	0.354	S	S	.	.			trans	-103.7	147	173.2	63.5	-88.2	0	0	0	109.1	Q120 P125 C143 K153	Q120-F141 HydrophobicContact CB-CB 3.96Å; P125-F141 HydrophobicContact CB-CD1 4.22Å; P125-F141 HydrophobicContact CB-CD2 4.05Å; P125-F141 HydrophobicContact CB-CE1 4.09Å; P125-F141 HydrophobicContact CB-CE2 3.92Å; P125-F141 HydrophobicContact CB-CG 4.22Å; P125-F141 HydrophobicContact CB-CZ 3.96Å; P125-F141 HydrophobicContact CG-CB 4.2Å; P125-F141 HydrophobicContact CG-CD1 4.09Å; P125-F141 HydrophobicContact CG-CD2 3.58Å; P125-F141 HydrophobicContact CG-CE1 4.43Å; P125-F141 HydrophobicContact CG-CE2 3.97Å; P125-F141 HydrophobicContact CG-CG 3.67Å; P125-F141 HydrophobicContact CG-CZ 4.39Å; F141-C143 VanDerWaalsContact CD2-SG 3.59Å; F141-K153 HydrophobicContact CE2-CG 4.03Å; F141-K153 HydrophobicContact CZ-CG 4.11Å
142	T	83.1	Confident	81.3	Confident	83 Å²	83	67.5 Å²	67.5	51%	0.509	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	108.7	170.7	-59	0	0	0	0	109.4	K135 T144	K135-T142 PolarHBondContact N-O 2.93Å; K135-T142 PolarHBondContact O-N 2.92Å; T142-T144 PolarHBondContact O-N 3.02Å
143	C	87.3	Confident	81.3	Confident	13 Å²	13	66.7 Å²	66.7	9%	0.088	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	120.1	170.5	-61.2	0	0	0	0	109.2	C126 F141 E152	C126-C143 VanDerWaalsContact CA-SG 3.53Å; C126-C143 HydrophobicContact CB-CB 3.85Å; C126-C143 WeakPolarHBondContact CB-SG 3.4Å; C126-C143 WeakPolarHBondContact SG-CB 3.48Å; C126-C143 CovalentContact SG-SG 2.02Å; C126-C143 PolarHBondContact SG-SG 2.68Å; F141-C143 VanDerWaalsContact CD2-SG 3.59Å; C143-E152 WeakPolarHBondContact CB-O 3.5Å
144	T	86.8	Confident	81.4	Confident	53 Å²	53	64.5 Å²	64.5	33%	0.325	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	114.1	169.7	-37.9	0	0	0	0	107	M132 S133 T142	M132-T144 WeakPolarHBondContact CA-O 3.1Å; M132-T144 VanDerWaalsContact CB-O 3.3Å; M132-T144 WeakPolarHBondContact CB-O 2.93Å; M132-T144 PolarHBondContact N-O 2.89Å; S133-T144 PolarHBondContact N-O 2.93Å; S133-T144 VanDerWaalsContact O-CB 3.31Å; S133-T144 WeakPolarHBondContact O-CB 3.4Å; S133-T144 PolarHBondContact O-N 2.91Å; S133-T144 PolarHBondContact O-OG1 3.1Å; S133-T144 VanDerWaalsContact O-OG1 3.12Å; S133-T144 WeakPolarHBondContact OG-CB 3.4Å; S133-T144 PolarHBondContact OG-OG1 2.77Å; T142-T144 PolarHBondContact O-N 3.02Å
145	C	87.2	Confident	81.4	Confident	37 Å²	37	66.5 Å²	66.5	25%	0.25	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	148.3	-175.3	-53.5	0	0	0	0	112.5	W149 C154	C145-W149 HydrophobicContact CB-CB 4.11Å; C145-W149 WeakPolarHBondContact CB-O 3.34Å; C145-C154 WeakPolarHBondContact CA-SG 3.34Å; C145-C154 HydrophobicContact CB-CB 3.75Å; C145-C154 WeakPolarHBondContact CB-SG 3.28Å; C145-C154 PolarHBondContact N-SG 3.03Å; C145-C154 WeakPolarHBondContact SG-CA 3.45Å; C145-C154 WeakPolarHBondContact SG-CB 3.48Å; C145-C154 CovalentContact SG-SG 2.03Å; C145-C154 PolarHBondContact SG-SG 2.98Å
146	K	86.4	Confident	81.6	Confident	74 Å²	74	66.2 Å²	66.2	32%	0.322	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-61.7	151	164.3	-69.4	172.3	-177.3	152.6	0	108.8	D129 G130 Y131 M132 G148 W149	D129-K146 WeakPolarHBondContact O-CD 3.44Å; D129-K146 PolarHBondContact O-NZ 3.37Å; G130-K146 WeakPolarHBondContact O-CB 3.34Å; G130-K146 PolarHBondContact O-N 3.18Å; Y131-K146 WeakPolarHBondContact O-CE 3.18Å; M132-K146 HydrophobicContact CB-CG 4.06Å; M132-K146 HydrophobicContact CE-CB 4.39Å; M132-K146 HydrophobicContact CE-CG 3.92Å; M132-K146 HydrophobicContact SD-CG 4.41Å; K146-G148 PolarHBondContact O-N 3.16Å; K146-W149 PolarHBondContact O-N 3.47Å; K146-W149 VanDerWaalsContact O-N 3.17Å
147	P	83.7	Confident	82.1	Confident	110 Å²	110	64.3 Å²	64.3	71%	0.714	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	136.5	167.9	-23.6	33.7	0	0	0	110.5
148	G	83.1	Confident	83	Confident	13 Å²	13	65.4 Å²	65.4	13%	0.134	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	91.8	-0.6	-175.6	0	0	0	0	0	115.1	K146 I158	K146-G148 PolarHBondContact O-N 3.16Å; G148-I158 WeakPolarHBondContact O-CB 3.45Å; G148-I158 WeakPolarHBondContact O-CG1 3.4Å; G148-I158 PolarHBondContact O-N 3.45Å
149	W	88.4	Confident	84	Confident	33 Å²	33	62.7 Å²	62.7	13%	0.125	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	147.5	178.6	-63.4	82.5	0	0	0	112	D129 C145 K146 C154 F156 D157 P179	D129-W149 HydrophobicContact CB-CH2 4.03Å; D129-W149 HydrophobicContact CB-CZ2 4.08Å; C145-W149 HydrophobicContact CB-CB 4.11Å; C145-W149 WeakPolarHBondContact CB-O 3.34Å; K146-W149 PolarHBondContact O-N 3.47Å; K146-W149 VanDerWaalsContact O-N 3.17Å; W149-C154 HydrophobicContact CB-CB 4.38Å; W149-F156 CarbonylContact C-O 3.55Å; W149-F156 WeakPolarHBondContact CA-O 3.26Å; W149-D157 HydrophobicContact CE3-CB 4.42Å; W149-D157 HydrophobicContact CZ3-CB 4.28Å; W149-P179 HydrophobicContact CH2-CB 4.2Å; W149-P179 HydrophobicContact CZ2-CB 4.08Å
150	Q	86.6	Confident	85.2	Confident	103 Å²	103	62.5 Å²	62.5	48%	0.481	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	168.7	-179.8	68	179.8	-12.8	0	0	112	C154 E155 F156 I158	Q150-C154 CarbonylContact O-C 3.59Å; Q150-C154 WeakPolarHBondContact O-CA 3.23Å; Q150-E155 PolarHBondContact O-N 2.92Å; Q150-F156 HydrophobicContact CG-CB 3.87Å; Q150-F156 PolarHBondContact N-O 3.05Å; Q150-F156 PolarHBondContact O-N 2.88Å; Q150-I158 HydrophobicContact CB-CD1 4.24Å; Q150-I158 HydrophobicContact CB-CG1 3.89Å; Q150-I158 HydrophobicContact CG-CG1 3.85Å
151	G	85.6	Confident	85.9	Confident	36 Å²	36	60.4 Å²	60.4	37%	0.371	32%	0.319	S	S	.	.	S	Bend	trans	106.3	163	-174.9	0	0	0	0	0	112.4	K153 C154 E155	G151-K153 PolarHBondContact O-N 2.93Å; G151-C154 PolarHBondContact O-N 3.01Å; G151-E155 WeakPolarHBondContact CA-OE2 3.23Å
152	E	83.6	Confident	86.2	Confident	167 Å²	167	65.5 Å²	65.5	78%	0.78	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-25.4	-178.5	-67.3	-172.2	162.6	0	0	112.3	C143 E155	C143-E152 WeakPolarHBondContact CB-O 3.5Å; E152-E155 PolarHBondContact N-OE2 3.29Å
153	K	85.8	Confident	86.2	Confident	98 Å²	98	64 Å²	64	43%	0.426	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.1	10.1	176.7	-60.1	179.1	177.6	-176.1	0	112.4	P125 N127 F141 G151 E155	P125-K153 WeakPolarHBondContact O-CD 3.21Å; N127-K153 PolarHBondContact N-O 2.83Å; F141-K153 HydrophobicContact CE2-CG 4.03Å; F141-K153 HydrophobicContact CZ-CG 4.11Å; G151-K153 PolarHBondContact O-N 2.93Å; K153-E155 VanDerWaalsContact C-OE2 3.26Å; K153-E155 VanDerWaalsContact CA-OE2 3.25Å; K153-E155 WeakPolarHBondContact CA-OE2 3.47Å; K153-E155 HydrophobicContact CB-CB 4.49Å; K153-E155 WeakPolarHBondContact CB-OE2 3.45Å; K153-E155 PolarHBondContact N-OE2 2.83Å; K153-E155 PolarHBondContact O-N 3.27Å
154	C	87.7	Confident	85.7	Confident	0 Å²	0	69.2 Å²	69.2	0%	0	36%	0.364	C	S	.	.	S	Bend	trans	57.2	33.7	-172.2	-45.8	0	0	0	0	112.7	N127 C145 W149 Q150 G151	N127-C154 WeakPolarHBondContact CB-O 3.34Å; C145-C154 WeakPolarHBondContact CA-SG 3.34Å; C145-C154 HydrophobicContact CB-CB 3.75Å; C145-C154 WeakPolarHBondContact CB-SG 3.28Å; C145-C154 PolarHBondContact N-SG 3.03Å; C145-C154 WeakPolarHBondContact SG-CA 3.45Å; C145-C154 WeakPolarHBondContact SG-CB 3.48Å; C145-C154 CovalentContact SG-SG 2.03Å; C145-C154 PolarHBondContact SG-SG 2.98Å; W149-C154 HydrophobicContact CB-CB 4.38Å; Q150-C154 CarbonylContact O-C 3.59Å; Q150-C154 WeakPolarHBondContact O-CA 3.23Å; G151-C154 PolarHBondContact O-N 3.01Å
155	E	84.3	Confident	85.4	Confident	74 Å²	74	71.7 Å²	71.7	35%	0.346	38%	0.383	S	S	.	.			trans	-81.7	-15.9	-173.3	67.1	-89.7	-136.7	0	0	113.7	Q150 G151 E152 K153	Q150-E155 PolarHBondContact O-N 2.92Å; G151-E155 WeakPolarHBondContact CA-OE2 3.23Å; E152-E155 PolarHBondContact N-OE2 3.29Å; K153-E155 VanDerWaalsContact C-OE2 3.26Å; K153-E155 VanDerWaalsContact CA-OE2 3.25Å; K153-E155 WeakPolarHBondContact CA-OE2 3.47Å; K153-E155 HydrophobicContact CB-CB 4.49Å; K153-E155 WeakPolarHBondContact CB-OE2 3.45Å; K153-E155 PolarHBondContact N-OE2 2.83Å; K153-E155 PolarHBondContact O-N 3.27Å
156	F	87.4	Confident	85	Confident	122 Å²	122	72.8 Å²	72.8	54%	0.535	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	124.9	-177.7	-54.9	-62.9	0	0	0	110.8	W149 Q150	W149-F156 CarbonylContact C-O 3.55Å; W149-F156 WeakPolarHBondContact CA-O 3.26Å; Q150-F156 HydrophobicContact CG-CB 3.87Å; Q150-F156 PolarHBondContact N-O 3.05Å; Q150-F156 PolarHBondContact O-N 2.88Å
157	D	87.3	Confident	84.7	Confident	41 Å²	41	76 Å²	76	22%	0.219	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	135.9	165.7	179.5	63	0	0	0	110.3	W149 N159 N177 G180	W149-D157 HydrophobicContact CE3-CB 4.42Å; W149-D157 HydrophobicContact CZ3-CB 4.28Å; D157-N159 PolarHBondContact O-N 2.99Å; D157-N177 PolarHBondContact OD2-ND2 2.77Å; D157-G180 PolarHBondContact OD1-N 3.23Å
158	I	87.4	Confident	84.7	Confident	50 Å²	50	73.1 Å²	73.1	26%	0.256	38%	0.384	S	S	.	.			trans	-78.8	115.1	174.8	-63.3	174.6	0	0	0	107	G148 Q150 E160	G148-I158 WeakPolarHBondContact O-CB 3.45Å; G148-I158 WeakPolarHBondContact O-CG1 3.4Å; G148-I158 PolarHBondContact O-N 3.45Å; Q150-I158 HydrophobicContact CB-CD1 4.24Å; Q150-I158 HydrophobicContact CB-CG1 3.89Å; Q150-I158 HydrophobicContact CG-CG1 3.85Å; I158-E160 HydrophobicContact CG2-CG 4.31Å; I158-E160 PolarHBondContact O-N 2.82Å
159	N	87	Confident	84.7	Confident	52 Å²	52	72.5 Å²	72.5	28%	0.278	38%	0.378	S	S	.	.			trans	-78.7	91.4	175.9	-168.9	-48.8	0	0	0	110.6	D157 C161 K162 D163 N177	D157-N159 PolarHBondContact O-N 2.99Å; N159-C161 PolarHBondContact O-N 2.84Å; N159-C161 WeakPolarHBondContact OD1-CB 3.5Å; N159-C161 PolarHBondContact OD1-N 2.79Å; N159-K162 HydrophobicContact CB-CB 4.31Å; N159-K162 PolarHBondContact O-N 3.35Å; N159-K162 PolarHBondContact OD1-N 3.23Å; N159-K162 VanDerWaalsContact OD1-N 3.07Å; N159-D163 PolarHBondContact O-N 3.07Å; N159-N177 WeakPolarHBondContact CA-OD1 3.38Å
160	E	88.6	Confident	84.5	Confident	25 Å²	25	72.3 Å²	72.3	12%	0.117	39%	0.387	C	S	.	.	G	3₁₀ helix	trans	-65.8	-21.5	-177	-57.9	93.6	160.9	0	0	112.5	I158 K162 D163 G169 N177 Y182	I158-E160 HydrophobicContact CG2-CG 4.31Å; I158-E160 PolarHBondContact O-N 2.82Å; E160-K162 VanDerWaalsContact C-N 3.27Å; E160-K162 PolarHBondContact O-N 3.45Å; E160-D163 PolarHBondContact O-N 3.15Å; E160-G169 WeakPolarHBondContact O-CA 3.44Å; E160-G169 PolarHBondContact O-N 2.84Å; E160-G169 VanDerWaalsContact O-N 3.16Å; E160-N177 PolarHBondContact N-OD1 3.25Å; E160-N177 PolarHBondContact OE2-OD1 2.79Å; E160-N177 VanDerWaalsContact OE2-OD1 3.08Å; E160-Y182 HydrophobicContact CB-CD1 3.45Å; E160-Y182 VanDerWaalsContact CB-CD1 3.45Å; E160-Y182 HydrophobicContact CB-CE1 3.81Å; E160-Y182 HydrophobicContact CB-CG 3.93Å; E160-Y182 VanDerWaalsContact CD-CD1 3.48Å; E160-Y182 HydrophobicContact CG-CD1 3.56Å; E160-Y182 HydrophobicContact CG-CE1 3.88Å; E160-Y182 HydrophobicContact CG-CG 4.45Å; E160-Y182 WeakPolarHBondContact OE2-CD1 3.42Å
161	C	87.9	Confident	84.5	Confident	24 Å²	24	67.9 Å²	67.9	16%	0.162	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-71.7	-21.2	175.1	-51.4	0	0	0	0	113.2	N159 C175	N159-C161 PolarHBondContact O-N 2.84Å; N159-C161 WeakPolarHBondContact OD1-CB 3.5Å; N159-C161 PolarHBondContact OD1-N 2.79Å; C161-C175 WeakPolarHBondContact CA-SG 3.04Å; C161-C175 HydrophobicContact CB-CB 3.63Å; C161-C175 WeakPolarHBondContact CB-SG 3Å; C161-C175 WeakPolarHBondContact SG-CB 3.31Å; C161-C175 PolarHBondContact SG-O 3.05Å; C161-C175 CovalentContact SG-SG 2.03Å; C161-C175 PolarHBondContact SG-SG 3.1Å
162	K	86	Confident	84.7	Confident	168 Å²	168	69 Å²	69	73%	0.73	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-107.4	7.4	178.7	-67.4	-178.8	-177.6	177.1	0	113	N159 E160 P164	N159-K162 HydrophobicContact CB-CB 4.31Å; N159-K162 PolarHBondContact O-N 3.35Å; N159-K162 PolarHBondContact OD1-N 3.23Å; N159-K162 VanDerWaalsContact OD1-N 3.07Å; E160-K162 VanDerWaalsContact C-N 3.27Å; E160-K162 PolarHBondContact O-N 3.45Å; K162-P164 WeakPolarHBondContact O-CD 3.46Å
163	D	82.7	Confident	84.9	Confident	50 Å²	50	63 Å²	63	27%	0.267	34%	0.341	S	S	.	.			trans	-69.6	119.8	178.9	-171.5	-20.9	0	0	0	110.6	N159 E160 S165 N166	N159-D163 PolarHBondContact O-N 3.07Å; E160-D163 PolarHBondContact O-N 3.15Å; D163-S165 PolarHBondContact O-N 3.42Å; D163-S165 WeakPolarHBondContact OD1-CB 3.37Å; D163-S165 PolarHBondContact OD1-N 2.91Å; D163-S165 PolarHBondContact OD1-OG 2.95Å; D163-S165 PolarHBondContact OD2-OG 3.3Å; D163-N166 CarbonylContact O-C 3.49Å; D163-N166 VanDerWaalsContact O-C 3.29Å; D163-N166 PolarHBondContact O-N 2.93Å
164	P	76.2	Confident	85.1	Confident	124 Å²	124	61 Å²	61	81%	0.805	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-18.6	178.4	26.1	-32.7	0	0	0	113.7	K162	K162-P164 WeakPolarHBondContact O-CD 3.46Å
165	S	79.9	Confident	85.3	Confident	104 Å²	104	61.8 Å²	61.8	73%	0.727	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-21.8	177.4	73.2	0	0	0	0	113.5	D163	D163-S165 PolarHBondContact O-N 3.42Å; D163-S165 WeakPolarHBondContact OD1-CB 3.37Å; D163-S165 PolarHBondContact OD1-N 2.91Å; D163-S165 PolarHBondContact OD1-OG 2.95Å; D163-S165 PolarHBondContact OD2-OG 3.3Å
166	N	79.4	Confident	85.6	Confident	60 Å²	60	61.2 Å²	61.2	32%	0.321	34%	0.339	S	S	.	.	S	Bend	trans	-137.8	79.8	179.4	-176.6	26.9	0	0	0	109.4	D163 N168 G169 G170	D163-N166 CarbonylContact O-C 3.49Å; D163-N166 VanDerWaalsContact O-C 3.29Å; D163-N166 PolarHBondContact O-N 2.93Å; N166-N168 PolarHBondContact O-N 3.43Å; N166-G169 WeakPolarHBondContact ND2-CA 3.14Å; N166-G169 PolarHBondContact ND2-O 3.17Å; N166-G169 VanDerWaalsContact ND2-O 3.16Å; N166-G169 PolarHBondContact O-N 2.9Å; N166-G170 WeakPolarHBondContact OD1-CA 3.34Å; N166-G170 PolarHBondContact OD1-N 3.14Å; N166-G170 VanDerWaalsContact OD1-N 3.07Å
167	I	79.9	Confident	85.7	Confident	143 Å²	143	57.9 Å²	57.9	73%	0.733	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-51.6	125.4	-174.4	-59.1	172.6	0	0	0	110	G169 G170	I167-G169 VanDerWaalsContact C-N 3.27Å; I167-G169 PolarHBondContact O-N 3.11Å; I167-G170 PolarHBondContact O-N 3.01Å; I167-G170 VanDerWaalsContact O-N 3.16Å
168	N	84.4	Confident	85.8	Confident	48 Å²	48	58.2 Å²	58.2	26%	0.257	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	57.9	31.7	-179.9	-161.2	43.9	0	0	0	114	N166 G170 C171 Q173 C175	N166-N168 PolarHBondContact O-N 3.43Å; N168-G170 PolarHBondContact O-N 2.81Å; N168-C171 PolarHBondContact ND2-O 2.84Å; N168-C171 VanDerWaalsContact O-CB 3.24Å; N168-C171 WeakPolarHBondContact O-CB 3.3Å; N168-C171 PolarHBondContact O-N 2.83Å; N168-C171 PolarHBondContact O-SG 2.85Å; N168-Q173 PolarHBondContact ND2-O 3.12Å; N168-Q173 VanDerWaalsContact ND2-O 3.11Å; N168-C175 WeakPolarHBondContact O-CB 3.26Å; N168-C175 WeakPolarHBondContact OD1-CB 3.39Å
169	G	82.8	Confident	85.7	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	65.3	9.1	-177.6	0	0	0	0	0	114.2	E160 N166 I167 C171 Y182	E160-G169 WeakPolarHBondContact O-CA 3.44Å; E160-G169 PolarHBondContact O-N 2.84Å; E160-G169 VanDerWaalsContact O-N 3.16Å; N166-G169 WeakPolarHBondContact ND2-CA 3.14Å; N166-G169 PolarHBondContact ND2-O 3.17Å; N166-G169 VanDerWaalsContact ND2-O 3.16Å; N166-G169 PolarHBondContact O-N 2.9Å; I167-G169 VanDerWaalsContact C-N 3.27Å; I167-G169 PolarHBondContact O-N 3.11Å; G169-C171 VanDerWaalsContact C-N 3.26Å; G169-Y182 WeakPolarHBondContact O-CE2 3.28Å; G169-Y182 PolarHBondContact O-OH 2.83Å
170	G	83.4	Confident	85.5	Confident	30 Å²	30	59.7 Å²	59.7	31%	0.309	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	74.8	16.1	-169.4	0	0	0	0	0	113.2	N166 I167 N168	N166-G170 WeakPolarHBondContact OD1-CA 3.34Å; N166-G170 PolarHBondContact OD1-N 3.14Å; N166-G170 VanDerWaalsContact OD1-N 3.07Å; I167-G170 PolarHBondContact O-N 3.01Å; I167-G170 VanDerWaalsContact O-N 3.16Å; N168-G170 PolarHBondContact O-N 2.81Å
171	C	88.1	Confident	85.5	Confident	9 Å²	9	61.5 Å²	61.5	6%	0.061	37%	0.365	C	S	.	.			trans	-78.9	134.5	170.2	-57.8	0	0	0	0	110.3	N168 G169 Q173 I174 C175 C184	N168-C171 PolarHBondContact ND2-O 2.84Å; N168-C171 VanDerWaalsContact O-CB 3.24Å; N168-C171 WeakPolarHBondContact O-CB 3.3Å; N168-C171 PolarHBondContact O-N 2.83Å; N168-C171 PolarHBondContact O-SG 2.85Å; G169-C171 VanDerWaalsContact C-N 3.26Å; C171-Q173 VanDerWaalsContact C-N 3.33Å; C171-Q173 PolarHBondContact O-N 3.26Å; C171-I174 WeakPolarHBondContact CB-O 3.48Å; C171-C175 HydrophobicContact CB-CB 4.05Å; C171-C184 WeakPolarHBondContact CA-SG 3.25Å; C171-C184 HydrophobicContact CB-CB 3.63Å; C171-C184 WeakPolarHBondContact CB-SG 3.46Å; C171-C184 WeakPolarHBondContact SG-CA 3.25Å; C171-C184 WeakPolarHBondContact SG-CB 3.34Å; C171-C184 CovalentContact SG-SG 2.02Å; C171-C184 PolarHBondContact SG-SG 2.95Å
172	S	87.9	Confident	85.6	Confident	59 Å²	59	62.9 Å²	62.9	41%	0.413	37%	0.367	S	S	.	.	S	Bend	trans	-66.4	-29.8	178.6	59.5	0	0	0	0	114.2	K197 D198 C199	S172-K197 PolarHBondContact N-O 2.98Å; S172-K197 PolarHBondContact OG-O 2.87Å; S172-D198 WeakPolarHBondContact OG-CA 3.46Å; S172-C199 PolarHBondContact OG-N 2.78Å
173	Q	88.7	Confident	85.7	Confident	43 Å²	43	59.5 Å²	59.5	20%	0.201	35%	0.354	C	S	.	.	S	Bend	trans	-129	-77.4	-176.3	-65.4	-172	-7.9	0	0	113.3	N168 C171 C199	N168-Q173 PolarHBondContact ND2-O 3.12Å; N168-Q173 VanDerWaalsContact ND2-O 3.11Å; C171-Q173 VanDerWaalsContact C-N 3.33Å; C171-Q173 PolarHBondContact O-N 3.26Å; Q173-C199 VanDerWaalsContact CD-CB 3.49Å; Q173-C199 HydrophobicContact CG-CB 3.89Å
174	I	90.2	Very high	86.2	Confident	55 Å²	55	57.6 Å²	57.6	28%	0.282	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	134.9	-176.5	-56.7	168.4	0	0	0	108.8	C171 C184 S185 K187	C171-I174 WeakPolarHBondContact CB-O 3.48Å; I174-C184 CarbonylContact O-C 3.29Å; I174-C184 VanDerWaalsContact O-CA 3.28Å; I174-C184 WeakPolarHBondContact O-CA 3.28Å; I174-S185 WeakPolarHBondContact CB-O 3.49Å; I174-S185 VanDerWaalsContact CB-OG 3.31Å; I174-S185 WeakPolarHBondContact CB-OG 3.32Å; I174-S185 VanDerWaalsContact CG2-OG 3.22Å; I174-S185 WeakPolarHBondContact CG2-OG 3.43Å; I174-S185 PolarHBondContact N-O 2.86Å; I174-S185 PolarHBondContact O-N 2.83Å; I174-K187 HydrophobicContact CD1-CG 3.72Å; I174-K187 HydrophobicContact CG1-CG 4.08Å
175	C	92	Very high	86.8	Confident	16 Å²	16	53.1 Å²	53.1	11%	0.108	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	120.6	171.9	-177.7	0	0	0	0	109	C161 N168 C171	C161-C175 WeakPolarHBondContact CA-SG 3.04Å; C161-C175 HydrophobicContact CB-CB 3.63Å; C161-C175 WeakPolarHBondContact CB-SG 3Å; C161-C175 WeakPolarHBondContact SG-CB 3.31Å; C161-C175 PolarHBondContact SG-O 3.05Å; C161-C175 CovalentContact SG-SG 2.03Å; C161-C175 PolarHBondContact SG-SG 3.1Å; N168-C175 WeakPolarHBondContact O-CB 3.26Å; N168-C175 WeakPolarHBondContact OD1-CB 3.39Å; C171-C175 HydrophobicContact CB-CB 4.05Å
176	D	91	Very high	87.3	Confident	62 Å²	62	49.7 Å²	49.7	33%	0.332	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	109.2	179.5	-66.5	-52.9	0	0	0	109.1	Y182 H183 S185	D176-Y182 WeakPolarHBondContact O-CA 3.48Å; D176-H183 VanDerWaalsContact CB-CE1 3.44Å; D176-H183 WeakPolarHBondContact CB-CE1 3.44Å; D176-H183 PolarHBondContact N-O 2.97Å; D176-H183 PolarHBondContact O-N 2.67Å; D176-H183 PolarHBondContact O-ND1 2.78Å; D176-S185 WeakPolarHBondContact OD2-CB 3.47Å; D176-S185 PolarHBondContact OD2-OG 3.13Å
177	N	89.3	Confident	87.9	Confident	53 Å²	53	52.7 Å²	52.7	28%	0.283	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	132	-179.4	-166	69.1	0	0	0	110.9	D157 N159 E160	D157-N177 PolarHBondContact OD2-ND2 2.77Å; N159-N177 WeakPolarHBondContact CA-OD1 3.38Å; E160-N177 PolarHBondContact N-OD1 3.25Å; E160-N177 PolarHBondContact OE2-OD1 2.79Å; E160-N177 VanDerWaalsContact OE2-OD1 3.08Å
178	T	88.1	Confident	88.3	Confident	47 Å²	47	51.4 Å²	51.4	29%	0.288	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	156.1	179.8	53.5	0	0	0	0	110.1	G180 S181	T178-G180 PolarHBondContact O-N 3.26Å; T178-S181 CarbonylContact C-O 3.59Å; T178-S181 VanDerWaalsContact C-O 3.28Å; T178-S181 WeakPolarHBondContact CA-O 3.06Å; T178-S181 PolarHBondContact N-O 2.87Å; T178-S181 CarbonylContact O-C 3.59Å; T178-S181 PolarHBondContact O-N 2.78Å; T178-S181 VanDerWaalsContact OG1-C 3.22Å; T178-S181 PolarHBondContact OG1-O 2.84Å
179	P	85.6	Confident	88.4	Confident	113 Å²	113	50.1 Å²	50.1	73%	0.734	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	116.5	178.6	-25.9	35.4	0	0	0	112.3	W149 S181	W149-P179 HydrophobicContact CH2-CB 4.2Å; W149-P179 HydrophobicContact CZ2-CB 4.08Å; P179-S181 VanDerWaalsContact C-N 3.35Å
180	G	83.1	Confident	88.9	Confident	21 Å²	21	52.1 Å²	52.1	22%	0.216	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.9	5.4	-179.4	0	0	0	0	0	116.1	D157 T178	D157-G180 PolarHBondContact OD1-N 3.23Å; T178-G180 PolarHBondContact O-N 3.26Å
181	S	88.3	Confident	89.2	Confident	62 Å²	62	54.4 Å²	54.4	43%	0.434	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.9	-179.1	178.9	-154.9	0	0	0	0	112.7	T178 P179	T178-S181 CarbonylContact C-O 3.59Å; T178-S181 VanDerWaalsContact C-O 3.28Å; T178-S181 WeakPolarHBondContact CA-O 3.06Å; T178-S181 PolarHBondContact N-O 2.87Å; T178-S181 CarbonylContact O-C 3.59Å; T178-S181 PolarHBondContact O-N 2.78Å; T178-S181 VanDerWaalsContact OG1-C 3.22Å; T178-S181 PolarHBondContact OG1-O 2.84Å; P179-S181 VanDerWaalsContact C-N 3.35Å
182	Y	89.9	Confident	89.4	Confident	54 Å²	54	57.8 Å²	57.8	21%	0.212	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	159.2	170.3	66.2	-75.6	0	0	0	109.5	E160 G169 D176 K197	E160-Y182 HydrophobicContact CB-CD1 3.45Å; E160-Y182 VanDerWaalsContact CB-CD1 3.45Å; E160-Y182 HydrophobicContact CB-CE1 3.81Å; E160-Y182 HydrophobicContact CB-CG 3.93Å; E160-Y182 VanDerWaalsContact CD-CD1 3.48Å; E160-Y182 HydrophobicContact CG-CD1 3.56Å; E160-Y182 HydrophobicContact CG-CE1 3.88Å; E160-Y182 HydrophobicContact CG-CG 4.45Å; E160-Y182 WeakPolarHBondContact OE2-CD1 3.42Å; G169-Y182 WeakPolarHBondContact O-CE2 3.28Å; G169-Y182 PolarHBondContact O-OH 2.83Å; D176-Y182 WeakPolarHBondContact O-CA 3.48Å; Y182-K197 PolarHBondContact OH-NZ 2.91Å; Y182-K197 VanDerWaalsContact OH-NZ 3.08Å
183	H	89.8	Confident	89.4	Confident	97 Å²	97	58.4 Å²	58.4	45%	0.449	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	149.6	168.1	64.8	-69.6	0	0	0	109.9	D176	D176-H183 VanDerWaalsContact CB-CE1 3.44Å; D176-H183 WeakPolarHBondContact CB-CE1 3.44Å; D176-H183 PolarHBondContact N-O 2.97Å; D176-H183 PolarHBondContact O-N 2.67Å; D176-H183 PolarHBondContact O-ND1 2.78Å
184	C	91.2	Very high	89.4	Confident	10 Å²	10	62.5 Å²	62.5	7%	0.068	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	150	172.6	-52.2	0	0	0	0	109.2	C171 I174 M192 K196	C171-C184 WeakPolarHBondContact CA-SG 3.25Å; C171-C184 HydrophobicContact CB-CB 3.63Å; C171-C184 WeakPolarHBondContact CB-SG 3.46Å; C171-C184 WeakPolarHBondContact SG-CA 3.25Å; C171-C184 WeakPolarHBondContact SG-CB 3.34Å; C171-C184 CovalentContact SG-SG 2.02Å; C171-C184 PolarHBondContact SG-SG 2.95Å; I174-C184 CarbonylContact O-C 3.29Å; I174-C184 VanDerWaalsContact O-CA 3.28Å; I174-C184 WeakPolarHBondContact O-CA 3.28Å; C184-M192 VanDerWaalsContact C-CE 3.47Å; C184-M192 HydrophobicContact CB-CE 4.2Å; C184-M192 WeakPolarHBondContact O-CE 3.2Å; C184-K196 WeakPolarHBondContact CB-O 3.41Å
185	S	89.2	Confident	89.2	Confident	30 Å²	30	63.7 Å²	63.7	21%	0.21	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	158.2	169	64.5	0	0	0	0	110.1	I174 D176	I174-S185 WeakPolarHBondContact CB-O 3.49Å; I174-S185 VanDerWaalsContact CB-OG 3.31Å; I174-S185 WeakPolarHBondContact CB-OG 3.32Å; I174-S185 VanDerWaalsContact CG2-OG 3.22Å; I174-S185 WeakPolarHBondContact CG2-OG 3.43Å; I174-S185 PolarHBondContact N-O 2.86Å; I174-S185 PolarHBondContact O-N 2.83Å; D176-S185 WeakPolarHBondContact OD2-CB 3.47Å; D176-S185 PolarHBondContact OD2-OG 3.13Å
186	C	91.8	Very high	88.9	Confident	32 Å²	32	70.4 Å²	70.4	22%	0.216	40%	0.402	C	S	.	.			trans	-106.1	144.6	-179.6	-60.6	0	0	0	0	110.1	F190 C199	C186-F190 HydrophobicContact CB-CB 3.91Å; C186-C199 WeakPolarHBondContact CA-SG 3.03Å; C186-C199 HydrophobicContact CB-CB 3.85Å; C186-C199 WeakPolarHBondContact CB-SG 3.36Å; C186-C199 VanDerWaalsContact SG-CA 3.6Å; C186-C199 WeakPolarHBondContact SG-CB 3.23Å; C186-C199 CovalentContact SG-SG 2.04Å; C186-C199 PolarHBondContact SG-SG 2.89Å
187	K	90.8	Very high	88.6	Confident	123 Å²	123	71.1 Å²	71.1	54%	0.535	40%	0.402	S	S	.	.			trans	-64	159	170.7	-68	176.3	-179.5	-179.5	0	109.9	I174 G189 F190	I174-K187 HydrophobicContact CD1-CG 3.72Å; I174-K187 HydrophobicContact CG1-CG 4.08Å; K187-G189 PolarHBondContact O-N 3.42Å; K187-F190 HydrophobicContact CB-CD2 4.18Å; K187-F190 WeakPolarHBondContact O-CB 3.42Å; K187-F190 PolarHBondContact O-N 2.98Å; K187-F190 VanDerWaalsContact O-N 3.11Å
188	S	89.5	Confident	88.6	Confident	115 Å²	115	71.9 Å²	71.9	80%	0.804	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	139.2	170.8	-57	0	0	0	0	110.9
189	G	86.8	Confident	88.7	Confident	21 Å²	21	70.6 Å²	70.6	22%	0.216	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.7	0.6	-174.3	0	0	0	0	0	114.6	K187 V202	K187-G189 PolarHBondContact O-N 3.42Å; G189-V202 VanDerWaalsContact O-CB 3.28Å; G189-V202 WeakPolarHBondContact O-CB 3.43Å; G189-V202 WeakPolarHBondContact O-CG2 3.48Å; G189-V202 PolarHBondContact O-N 3.32Å
190	F	91.8	Very high	88.9	Confident	43 Å²	43	71.4 Å²	71.4	19%	0.189	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	148.1	177.5	-64	-99.4	0	0	0	112.1	C186 K187 C199 K200 D201 P221	C186-F190 HydrophobicContact CB-CB 3.91Å; K187-F190 HydrophobicContact CB-CD2 4.18Å; K187-F190 WeakPolarHBondContact O-CB 3.42Å; K187-F190 PolarHBondContact O-N 2.98Å; K187-F190 VanDerWaalsContact O-N 3.11Å; F190-C199 HydrophobicContact CB-CB 4.09Å; F190-C199 HydrophobicContact CD1-CB 4.44Å; F190-K200 CarbonylContact C-O 3.54Å; F190-K200 WeakPolarHBondContact CA-O 3.38Å; F190-D201 VanDerWaalsContact CD1-CA 3.43Å; F190-D201 HydrophobicContact CD1-CB 3.99Å; F190-D201 HydrophobicContact CE1-CB 3.75Å; F190-P221 HydrophobicContact CZ-CB 4.01Å
191	V	90.7	Very high	89.4	Confident	78 Å²	78	72.2 Å²	72.2	47%	0.473	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	140.2	176.2	-73.8	0	0	0	0	111.5	C199 K200 V202	V191-C199 WeakPolarHBondContact O-CA 2.85Å; V191-K200 HydrophobicContact CG2-CB 4.41Å; V191-K200 WeakPolarHBondContact CG2-O 3.21Å; V191-K200 PolarHBondContact N-O 3.09Å; V191-K200 PolarHBondContact O-N 2.9Å; V191-V202 HydrophobicContact CB-CG2 4.23Å; V191-V202 HydrophobicContact CG1-CG2 3.51Å; V191-V202 HydrophobicContact CG2-CG2 4Å
192	M	91.3	Very high	89.5	Confident	80 Å²	80	70.6 Å²	70.6	39%	0.394	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	130.1	179.9	-171.2	161.3	-73.7	0	0	111.5	C184 K196	C184-M192 VanDerWaalsContact C-CE 3.47Å; C184-M192 HydrophobicContact CB-CE 4.2Å; C184-M192 WeakPolarHBondContact O-CE 3.2Å; M192-K196 HydrophobicContact SD-CB 4.3Å
193	L	89.1	Confident	89.5	Confident	71 Å²	71	70.8 Å²	70.8	37%	0.372	38%	0.382	S	S	.	.			trans	-78.3	164.6	174.9	-67.4	-179.7	0	0	0	111.7	N195 K196 D198 K200	L193-N195 PolarHBondContact O-N 3.21Å; L193-K196 PolarHBondContact O-N 3.45Å; L193-D198 HydrophobicContact CB-CB 4.34Å; L193-D198 WeakPolarHBondContact CB-O 3.32Å; L193-D198 HydrophobicContact CD1-CB 3.81Å; L193-D198 HydrophobicContact CG-CB 4.42Å; L193-D198 PolarHBondContact N-O 2.84Å; L193-K200 HydrophobicContact CD1-CB 4.2Å; L193-K200 HydrophobicContact CD2-CB 3.74Å; L193-K200 HydrophobicContact CD2-CD 4.22Å; L193-K200 HydrophobicContact CG-CB 3.95Å
194	S	87.6	Confident	89.6	Confident	129 Å²	129	67.6 Å²	67.6	90%	0.902	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-19.4	-175.6	-47.6	0	0	0	0	114.6	K196	S194-K196 VanDerWaalsContact C-N 3.26Å; S194-K196 PolarHBondContact O-N 2.61Å
195	N	86.1	Confident	89.5	Confident	80 Å²	80	68.1 Å²	68.1	43%	0.428	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-1.7	176.4	68.2	-0.5	0	0	0	114	L193 K197 D198	L193-N195 PolarHBondContact O-N 3.21Å; N195-K197 PolarHBondContact O-N 2.93Å; N195-K197 VanDerWaalsContact O-N 3.08Å; N195-K197 PolarHBondContact OD1-N 3.15Å; N195-D198 VanDerWaalsContact ND2-CG 3.32Å; N195-D198 PolarHBondContact ND2-OD2 2.84Å; N195-D198 PolarHBondContact OD1-N 3.07Å
196	K	85.6	Confident	89.4	Confident	157 Å²	157	70.7 Å²	70.7	68%	0.683	39%	0.389	S	S	*	.	S	Bend	trans	57.4	17.7	179.3	-56.8	-177.8	177.5	-177.8	0	114.9	C184 M192 L193 S194	C184-K196 WeakPolarHBondContact CB-O 3.41Å; M192-K196 HydrophobicContact SD-CB 4.3Å; L193-K196 PolarHBondContact O-N 3.45Å; S194-K196 VanDerWaalsContact C-N 3.26Å; S194-K196 PolarHBondContact O-N 2.61Å
197	K	85.5	Confident	89.2	Confident	77 Å²	77	75 Å²	75	34%	0.335	41%	0.409	S	S	.	.	S	Bend	trans	-127.9	-35.4	-178.1	-69	-167.6	172.7	-153	0	113	S172 Y182 N195	S172-K197 PolarHBondContact N-O 2.98Å; S172-K197 PolarHBondContact OG-O 2.87Å; Y182-K197 PolarHBondContact OH-NZ 2.91Å; Y182-K197 VanDerWaalsContact OH-NZ 3.08Å; N195-K197 PolarHBondContact O-N 2.93Å; N195-K197 VanDerWaalsContact O-N 3.08Å; N195-K197 PolarHBondContact OD1-N 3.15Å
198	D	88.3	Confident	89	Confident	69 Å²	69	75.3 Å²	75.3	37%	0.369	41%	0.411	S	S	.	.			trans	-97.2	138.4	-177.9	-65.1	-29	0	0	0	111.7	S172 L193 N195	S172-D198 WeakPolarHBondContact OG-CA 3.46Å; L193-D198 HydrophobicContact CB-CB 4.34Å; L193-D198 WeakPolarHBondContact CB-O 3.32Å; L193-D198 HydrophobicContact CD1-CB 3.81Å; L193-D198 HydrophobicContact CG-CB 4.42Å; L193-D198 PolarHBondContact N-O 2.84Å; N195-D198 VanDerWaalsContact ND2-CG 3.32Å; N195-D198 PolarHBondContact ND2-OD2 2.84Å; N195-D198 PolarHBondContact OD1-N 3.07Å
199	C	90.8	Very high	88.4	Confident	21 Å²	21	74.7 Å²	74.7	14%	0.142	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	126.6	176	-64.4	0	0	0	0	108.8	S172 Q173 C186 F190 V191	S172-C199 PolarHBondContact OG-N 2.78Å; Q173-C199 VanDerWaalsContact CD-CB 3.49Å; Q173-C199 HydrophobicContact CG-CB 3.89Å; C186-C199 WeakPolarHBondContact CA-SG 3.03Å; C186-C199 HydrophobicContact CB-CB 3.85Å; C186-C199 WeakPolarHBondContact CB-SG 3.36Å; C186-C199 VanDerWaalsContact SG-CA 3.6Å; C186-C199 WeakPolarHBondContact SG-CB 3.23Å; C186-C199 CovalentContact SG-SG 2.04Å; C186-C199 PolarHBondContact SG-SG 2.89Å; F190-C199 HydrophobicContact CB-CB 4.09Å; F190-C199 HydrophobicContact CD1-CB 4.44Å; V191-C199 WeakPolarHBondContact O-CA 2.85Å
200	K	90.3	Very high	88.2	Confident	130 Å²	130	80.2 Å²	80.2	57%	0.565	43%	0.429	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.7	133.6	173.7	-175.9	-179.1	174	-175.9	0	109.2	F190 V191 L193	F190-K200 CarbonylContact C-O 3.54Å; F190-K200 WeakPolarHBondContact CA-O 3.38Å; V191-K200 HydrophobicContact CG2-CB 4.41Å; V191-K200 WeakPolarHBondContact CG2-O 3.21Å; V191-K200 PolarHBondContact N-O 3.09Å; V191-K200 PolarHBondContact O-N 2.9Å; L193-K200 HydrophobicContact CD1-CB 4.2Å; L193-K200 HydrophobicContact CD2-CB 3.74Å; L193-K200 HydrophobicContact CD2-CD 4.22Å; L193-K200 HydrophobicContact CG-CB 3.95Å
201	D	92.5	Very high	87.9	Confident	37 Å²	37	80.6 Å²	80.6	20%	0.198	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	135.3	173.3	-170.2	54.3	0	0	0	111	F190 N219 P221 G222	F190-D201 VanDerWaalsContact CD1-CA 3.43Å; F190-D201 HydrophobicContact CD1-CB 3.99Å; F190-D201 HydrophobicContact CE1-CB 3.75Å; D201-N219 PolarHBondContact OD2-ND2 3.17Å; D201-P221 WeakPolarHBondContact OD1-CA 3.39Å; D201-G222 PolarHBondContact OD1-N 3.21Å
202	V	91.5	Very high	87.6	Confident	28 Å²	28	77 Å²	77	17%	0.17	41%	0.409	C	S	.	.	P	Polyproline II helix	trans	-81.3	122	173.8	176.5	0	0	0	0	106.8	G189 V191 E204 L207 N219	G189-V202 VanDerWaalsContact O-CB 3.28Å; G189-V202 WeakPolarHBondContact O-CB 3.43Å; G189-V202 WeakPolarHBondContact O-CG2 3.48Å; G189-V202 PolarHBondContact O-N 3.32Å; V191-V202 HydrophobicContact CB-CG2 4.23Å; V191-V202 HydrophobicContact CG1-CG2 3.51Å; V191-V202 HydrophobicContact CG2-CG2 4Å; V202-E204 HydrophobicContact CG1-CG 4.47Å; V202-E204 VanDerWaalsContact O-CD 3.3Å; V202-E204 PolarHBondContact O-N 2.95Å; V202-L207 HydrophobicContact CG1-CD1 3.34Å; V202-N219 PolarHBondContact O-OD1 2.94Å
203	D	90	Very high	87.3	Confident	59 Å²	59	75.2 Å²	75.2	32%	0.316	41%	0.412	S	S	.	.			trans	-84.7	91	174.3	-177.2	-13.6	0	0	0	109.3	C205 S206 L207 N219	D203-C205 PolarHBondContact O-N 2.97Å; D203-C205 WeakPolarHBondContact OD1-CA 3.29Å; D203-C205 VanDerWaalsContact OD1-CB 3.29Å; D203-C205 WeakPolarHBondContact OD1-CB 3.44Å; D203-C205 PolarHBondContact OD1-N 3.02Å; D203-C205 VanDerWaalsContact OD1-N 3.11Å; D203-S206 VanDerWaalsContact CG-CB 3.48Å; D203-S206 VanDerWaalsContact CG-OG 3.22Å; D203-S206 PolarHBondContact O-N 3.24Å; D203-S206 PolarHBondContact OD1-N 3.08Å; D203-S206 WeakPolarHBondContact OD2-CB 3.45Å; D203-S206 PolarHBondContact OD2-OG 3.13Å; D203-L207 WeakPolarHBondContact O-CG 3.32Å; D203-L207 PolarHBondContact O-N 2.91Å; D203-N219 WeakPolarHBondContact CA-OD1 3.43Å
204	E	90.6	Very high	87	Confident	30 Å²	30	77 Å²	77	14%	0.14	43%	0.426	C	S	.	.	H	α-helix	trans	-62	-30.4	179.4	-67.3	80	-167.9	0	0	112.1	V202 L207 K208 M211 N219 F224	V202-E204 HydrophobicContact CG1-CG 4.47Å; V202-E204 VanDerWaalsContact O-CD 3.3Å; V202-E204 PolarHBondContact O-N 2.95Å; E204-L207 PolarHBondContact O-N 2.77Å; E204-K208 PolarHBondContact O-N 2.8Å; E204-M211 HydrophobicContact CB-SD 4.23Å; E204-N219 PolarHBondContact OE2-OD1 2.62Å; E204-F224 HydrophobicContact CB-CB 4.2Å; E204-F224 HydrophobicContact CB-CD1 3.87Å; E204-F224 HydrophobicContact CB-CG 4.14Å; E204-F224 HydrophobicContact CG-CD1 4.08Å
205	C	89.4	Confident	87	Confident	21 Å²	21	71.3 Å²	71.3	14%	0.142	39%	0.387	C	S	.	.	H	α-helix	trans	-65.4	-42.2	177.5	-60.3	0	0	0	0	111.5	D203 K208 C217 K218 N219	D203-C205 PolarHBondContact O-N 2.97Å; D203-C205 WeakPolarHBondContact OD1-CA 3.29Å; D203-C205 VanDerWaalsContact OD1-CB 3.29Å; D203-C205 WeakPolarHBondContact OD1-CB 3.44Å; D203-C205 PolarHBondContact OD1-N 3.02Å; D203-C205 VanDerWaalsContact OD1-N 3.11Å; C205-K208 CarbonylContact O-C 3.6Å; C205-C217 WeakPolarHBondContact CA-SG 3.38Å; C205-C217 HydrophobicContact CB-CB 3.72Å; C205-C217 WeakPolarHBondContact CB-SG 3.32Å; C205-C217 WeakPolarHBondContact SG-CB 3.49Å; C205-C217 CovalentContact SG-SG 2.04Å; C205-C217 PolarHBondContact SG-SG 2.79Å; C205-K218 VanDerWaalsContact SG-C 3.58Å; C205-N219 PolarHBondContact SG-N 3.46Å
206	S	88.6	Confident	87.2	Confident	84 Å²	84	72.3 Å²	72.3	59%	0.587	40%	0.396	S	S	*	.	H	α-helix	trans	-70.5	-35	174.4	-73	0	0	0	0	112.7	D203	D203-S206 VanDerWaalsContact CG-CB 3.48Å; D203-S206 VanDerWaalsContact CG-OG 3.22Å; D203-S206 PolarHBondContact O-N 3.24Å; D203-S206 PolarHBondContact OD1-N 3.08Å; D203-S206 WeakPolarHBondContact OD2-CB 3.45Å; D203-S206 PolarHBondContact OD2-OG 3.13Å
207	L	87.4	Confident	87.5	Confident	122 Å²	122	66.5 Å²	66.5	64%	0.639	37%	0.374	S	S	*	.	H	α-helix	trans	-76.5	-34.7	-179.3	-71.5	177.1	0	0	0	113.4	V202 D203 E204	V202-L207 HydrophobicContact CG1-CD1 3.34Å; D203-L207 WeakPolarHBondContact O-CG 3.32Å; D203-L207 PolarHBondContact O-N 2.91Å; E204-L207 PolarHBondContact O-N 2.77Å
208	K	85.7	Confident	87.8	Confident	130 Å²	130	67.5 Å²	67.5	57%	0.565	38%	0.379	S	S	*	.			trans	-132.1	80.7	-178.6	-64.5	177.8	-171.7	165.9	0	109.9	E204 C205 N210 M211	E204-K208 PolarHBondContact O-N 2.8Å; C205-K208 CarbonylContact O-C 3.6Å; K208-N210 PolarHBondContact O-N 2.88Å; K208-M211 HydrophobicContact CB-CB 4.02Å; K208-M211 HydrophobicContact CB-SD 4.38Å; K208-M211 HydrophobicContact CD-SD 4.19Å; K208-M211 VanDerWaalsContact O-CB 3.27Å; K208-M211 WeakPolarHBondContact O-CB 3.14Å; K208-M211 PolarHBondContact O-N 2.81Å
209	P	77.9	Confident	87.9	Confident	101 Å²	101	66.7 Å²	66.7	66%	0.656	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-29	-175.1	-27.4	34.6	0	0	0	114.9
210	N	82.1	Confident	88	Confident	138 Å²	138	68.5 Å²	68.5	74%	0.738	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99	19.7	-178.5	-68.3	-12.8	0	0	0	113.8	K208 C212 G213	K208-N210 PolarHBondContact O-N 2.88Å; N210-C212 VanDerWaalsContact C-N 3.35Å; N210-C212 PolarHBondContact O-N 2.86Å; N210-G213 PolarHBondContact O-N 2.78Å
211	M	84	Confident	88	Confident	50 Å²	50	67.7 Å²	67.7	25%	0.246	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-36.7	-177.3	-168.5	165.7	-165.5	0	0	113	E204 K208 F224	E204-M211 HydrophobicContact CB-SD 4.23Å; K208-M211 HydrophobicContact CB-CB 4.02Å; K208-M211 HydrophobicContact CB-SD 4.38Å; K208-M211 HydrophobicContact CD-SD 4.19Å; K208-M211 VanDerWaalsContact O-CB 3.27Å; K208-M211 WeakPolarHBondContact O-CB 3.14Å; K208-M211 PolarHBondContact O-N 2.81Å; M211-F224 HydrophobicContact CE-CD1 4.03Å; M211-F224 HydrophobicContact CE-CE1 3.13Å; M211-F224 HydrophobicContact CE-CE2 4.05Å; M211-F224 HydrophobicContact CE-CZ 3.15Å; M211-F224 HydrophobicContact CG-CD2 4.48Å; M211-F224 HydrophobicContact CG-CE1 4.5Å; M211-F224 HydrophobicContact CG-CE2 3.75Å; M211-F224 HydrophobicContact CG-CZ 3.81Å; M211-F224 HydrophobicContact SD-CD1 3.93Å; M211-F224 HydrophobicContact SD-CD2 4.15Å; M211-F224 HydrophobicContact SD-CE1 3.53Å; M211-F224 VanDerWaalsContact SD-CE1 3.53Å; M211-F224 HydrophobicContact SD-CE2 3.72Å; M211-F224 HydrophobicContact SD-CG 4.27Å; M211-F224 HydrophobicContact SD-CZ 3.44Å; M211-F224 WeakPolarHBondContact SD-CZ 3.4Å
212	C	85.1	Confident	87.8	Confident	2 Å²	2	67 Å²	67	1%	0.014	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	4.8	180	-67.8	0	0	0	0	114.5	N210 T214 A215 C217 C226 Y234	N210-C212 VanDerWaalsContact C-N 3.35Å; N210-C212 PolarHBondContact O-N 2.86Å; C212-T214 PolarHBondContact O-N 3.47Å; C212-A215 HydrophobicContact CB-CB 4.16Å; C212-A215 WeakPolarHBondContact CB-O 3.48Å; C212-A215 PolarHBondContact O-N 2.88Å; C212-C217 HydrophobicContact CB-CB 4.18Å; C212-C217 VanDerWaalsContact SG-CB 3.57Å; C212-C217 VanDerWaalsContact SG-SG 3.68Å; C212-C226 WeakPolarHBondContact CA-SG 3.29Å; C212-C226 HydrophobicContact CB-CB 3.71Å; C212-C226 WeakPolarHBondContact CB-SG 3.44Å; C212-C226 VanDerWaalsContact SG-CA 3.52Å; C212-C226 WeakPolarHBondContact SG-CB 3.49Å; C212-C226 CovalentContact SG-SG 2.03Å; C212-C226 PolarHBondContact SG-SG 3.03Å; C212-Y234 WeakPolarHBondContact CA-OH 3.32Å; C212-Y234 WeakPolarHBondContact O-CE2 3.39Å
213	G	86.2	Confident	87.7	Confident	44 Å²	44	69.8 Å²	69.8	45%	0.454	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.7	-109.2	-177.7	0	0	0	0	0	112.6	N210 K239	N210-G213 PolarHBondContact O-N 2.78Å; G213-K239 WeakPolarHBondContact CA-O 3.24Å
214	T	82.4	Confident	87.7	Confident	107 Å²	107	69.1 Å²	69.1	66%	0.656	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-9.1	179.3	65	0	0	0	0	114.4	C212 C241	C212-T214 PolarHBondContact O-N 3.47Å; T214-C241 PolarHBondContact OG1-N 2.67Å
215	A	87.9	Confident	87.7	Confident	11 Å²	11	72.5 Å²	72.5	9%	0.091	42%	0.416	C	S	.	.	S	Bend	trans	-84.8	156.9	179.6	0	0	0	0	0	111.7	C212 C217 C226 Y234 C241	C212-A215 HydrophobicContact CB-CB 4.16Å; C212-A215 WeakPolarHBondContact CB-O 3.48Å; C212-A215 PolarHBondContact O-N 2.88Å; A215-C217 PolarHBondContact O-N 3.07Å; A215-C226 HydrophobicContact CB-CB 4.05Å; A215-Y234 HydrophobicContact CB-CD2 3.62Å; A215-Y234 HydrophobicContact CB-CE2 3.76Å; A215-C241 VanDerWaalsContact CB-SG 3.59Å
216	V	90.3	Very high	87.8	Confident	101 Å²	101	72.3 Å²	72.3	61%	0.612	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.1	119.5	177.2	179.4	0	0	0	0	108.6	E227	V216-E227 PolarHBondContact N-O 2.98Å; V216-E227 PolarHBondContact O-N 2.96Å
217	C	91.1	Very high	87.9	Confident	34 Å²	34	71.9 Å²	71.9	23%	0.23	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	125.6	174.8	-168	0	0	0	0	109.8	C205 C212 A215	C205-C217 WeakPolarHBondContact CA-SG 3.38Å; C205-C217 HydrophobicContact CB-CB 3.72Å; C205-C217 WeakPolarHBondContact CB-SG 3.32Å; C205-C217 WeakPolarHBondContact SG-CB 3.49Å; C205-C217 CovalentContact SG-SG 2.04Å; C205-C217 PolarHBondContact SG-SG 2.79Å; C212-C217 HydrophobicContact CB-CB 4.18Å; C212-C217 VanDerWaalsContact SG-CB 3.57Å; C212-C217 VanDerWaalsContact SG-SG 3.68Å; A215-C217 PolarHBondContact O-N 3.07Å
218	K	91.6	Very high	88.1	Confident	98 Å²	98	67.5 Å²	67.5	43%	0.426	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	118.3	174.8	-176.4	-178.7	179.4	-174.1	0	109.2	C205 E225 E227	C205-K218 VanDerWaalsContact SG-C 3.58Å; K218-E225 PolarHBondContact N-O 2.89Å; K218-E225 PolarHBondContact O-N 3.13Å; K218-E227 VanDerWaalsContact CD-CD 3.44Å; K218-E227 HydrophobicContact CD-CG 4.39Å; K218-E227 WeakPolarHBondContact CD-OE1 2.97Å; K218-E227 WeakPolarHBondContact CE-OE1 3.4Å; K218-E227 IonicContact NZ-OE1 2.81Å; K218-E227 PolarHBondContact NZ-OE1 2.83Å; K218-E227 IonicContact NZ-OE2 2.68Å
219	N	91.1	Very high	88.4	Confident	52 Å²	52	65.2 Å²	65.2	28%	0.278	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	131.1	177.7	-169.2	56.4	0	0	0	110.5	D201 V202 D203 E204 C205	D201-N219 PolarHBondContact OD2-ND2 3.17Å; V202-N219 PolarHBondContact O-OD1 2.94Å; D203-N219 WeakPolarHBondContact CA-OD1 3.43Å; E204-N219 PolarHBondContact OE2-OD1 2.62Å; C205-N219 PolarHBondContact SG-N 3.46Å
220	I	91.8	Very high	88.9	Confident	59 Å²	59	69.3 Å²	69.3	30%	0.303	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	155.1	177	60	171.1	0	0	0	109.6	G222 D223	I220-G222 PolarHBondContact O-N 2.67Å; I220-D223 CarbonylContact C-O 3.51Å; I220-D223 HydrophobicContact CD1-CB 4.29Å; I220-D223 VanDerWaalsContact CG1-C 3.45Å; I220-D223 HydrophobicContact CG1-CB 4.18Å; I220-D223 WeakPolarHBondContact CG1-O 3.11Å; I220-D223 PolarHBondContact N-O 2.72Å; I220-D223 CarbonylContact O-C 3.28Å; I220-D223 PolarHBondContact O-N 2.87Å; I220-D223 VanDerWaalsContact O-N 3.12Å
221	P	90.2	Very high	89.3	Confident	114 Å²	114	63.4 Å²	63.4	74%	0.74	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	111.3	-178	-26.3	35.7	0	0	0	112.9	F190 D201	F190-P221 HydrophobicContact CZ-CB 4.01Å; D201-P221 WeakPolarHBondContact OD1-CA 3.39Å
222	G	88.1	Confident	89.6	Confident	22 Å²	22	64.3 Å²	64.3	23%	0.227	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	90.3	-2.3	178.2	0	0	0	0	0	116.4	D201 I220	D201-G222 PolarHBondContact OD1-N 3.21Å; I220-G222 PolarHBondContact O-N 2.67Å
223	D	90	Very high	89.9	Confident	86 Å²	86	70.3 Å²	70.3	46%	0.46	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.8	-168.3	177.2	-154.4	-7.1	0	0	0	111.3	I220	I220-D223 CarbonylContact C-O 3.51Å; I220-D223 HydrophobicContact CD1-CB 4.29Å; I220-D223 VanDerWaalsContact CG1-C 3.45Å; I220-D223 HydrophobicContact CG1-CB 4.18Å; I220-D223 WeakPolarHBondContact CG1-O 3.11Å; I220-D223 PolarHBondContact N-O 2.72Å; I220-D223 CarbonylContact O-C 3.28Å; I220-D223 PolarHBondContact O-N 2.87Å; I220-D223 VanDerWaalsContact O-N 3.12Å
224	F	89.8	Confident	90.2	Very high	45 Å²	45	70.9 Å²	70.9	20%	0.197	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	154.3	173.6	69.6	-72.4	0	0	0	110.8	E204 M211	E204-F224 HydrophobicContact CB-CB 4.2Å; E204-F224 HydrophobicContact CB-CD1 3.87Å; E204-F224 HydrophobicContact CB-CG 4.14Å; E204-F224 HydrophobicContact CG-CD1 4.08Å; M211-F224 HydrophobicContact CE-CD1 4.03Å; M211-F224 HydrophobicContact CE-CE1 3.13Å; M211-F224 HydrophobicContact CE-CE2 4.05Å; M211-F224 HydrophobicContact CE-CZ 3.15Å; M211-F224 HydrophobicContact CG-CD2 4.48Å; M211-F224 HydrophobicContact CG-CE1 4.5Å; M211-F224 HydrophobicContact CG-CE2 3.75Å; M211-F224 HydrophobicContact CG-CZ 3.81Å; M211-F224 HydrophobicContact SD-CD1 3.93Å; M211-F224 HydrophobicContact SD-CD2 4.15Å; M211-F224 HydrophobicContact SD-CE1 3.53Å; M211-F224 VanDerWaalsContact SD-CE1 3.53Å; M211-F224 HydrophobicContact SD-CE2 3.72Å; M211-F224 HydrophobicContact SD-CG 4.27Å; M211-F224 HydrophobicContact SD-CZ 3.44Å; M211-F224 WeakPolarHBondContact SD-CZ 3.4Å
225	E	90.3	Very high	90.6	Very high	101 Å²	101	68.1 Å²	68.1	47%	0.472	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	138.4	173.1	-170.5	169.5	-163.6	0	0	110	K218 E227	K218-E225 PolarHBondContact N-O 2.89Å; K218-E225 PolarHBondContact O-N 3.13Å; E225-E227 HydrophobicContact CG-CG 4.43Å
226	C	91.6	Very high	90.5	Very high	18 Å²	18	74.4 Å²	74.4	12%	0.122	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	104.8	172.7	-58.9	0	0	0	0	108.9	C212 A215 Y234	C212-C226 WeakPolarHBondContact CA-SG 3.29Å; C212-C226 HydrophobicContact CB-CB 3.71Å; C212-C226 WeakPolarHBondContact CB-SG 3.44Å; C212-C226 VanDerWaalsContact SG-CA 3.52Å; C212-C226 WeakPolarHBondContact SG-CB 3.49Å; C212-C226 CovalentContact SG-SG 2.03Å; C212-C226 PolarHBondContact SG-SG 3.03Å; A215-C226 HydrophobicContact CB-CB 4.05Å; C226-Y234 HydrophobicContact CB-CD1 3.65Å; C226-Y234 HydrophobicContact CB-CD2 3.94Å; C226-Y234 HydrophobicContact CB-CE1 3.57Å; C226-Y234 HydrophobicContact CB-CE2 3.89Å; C226-Y234 HydrophobicContact CB-CG 3.82Å
227	E	91.1	Very high	90.3	Very high	74 Å²	74	79.1 Å²	79.1	35%	0.346	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	128	179.4	-68.2	-176.5	168.4	0	0	110.3	V216 K218 E225	V216-E227 PolarHBondContact N-O 2.98Å; V216-E227 PolarHBondContact O-N 2.96Å; K218-E227 VanDerWaalsContact CD-CD 3.44Å; K218-E227 HydrophobicContact CD-CG 4.39Å; K218-E227 WeakPolarHBondContact CD-OE1 2.97Å; K218-E227 WeakPolarHBondContact CE-OE1 3.4Å; K218-E227 IonicContact NZ-OE1 2.81Å; K218-E227 PolarHBondContact NZ-OE1 2.83Å; K218-E227 IonicContact NZ-OE2 2.68Å; E225-E227 HydrophobicContact CG-CG 4.43Å
228	C	92.2	Very high	90.1	Very high	31 Å²	31	80.2 Å²	80.2	21%	0.209	41%	0.408	C	S	.	.	P	Polyproline II helix	trans	-95.8	157.5	171.7	-76.2	0	0	0	0	110.9	C241	C228-C241 WeakPolarHBondContact CA-SG 3.37Å; C228-C241 HydrophobicContact CB-CB 3.84Å; C228-C241 WeakPolarHBondContact CB-SG 3.42Å; C228-C241 WeakPolarHBondContact SG-CA 3.44Å; C228-C241 WeakPolarHBondContact SG-CB 3.34Å; C228-C241 CovalentContact SG-SG 2.04Å; C228-C241 PolarHBondContact SG-SG 3.19Å
229	P	90.6	Very high	89.9	Confident	82 Å²	82	80.8 Å²	80.8	53%	0.532	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-55	157	168.9	-22	33.3	0	0	0	111.9	G231 Y232	P229-G231 PolarHBondContact O-N 2.94Å; P229-Y232 HydrophobicContact CB-CD2 4.05Å; P229-Y232 WeakPolarHBondContact O-CB 3.48Å; P229-Y232 PolarHBondContact O-N 2.92Å; P229-Y232 VanDerWaalsContact O-N 3.1Å
230	E	90.1	Very high	89.8	Confident	187 Å²	187	79.8 Å²	79.8	87%	0.874	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	139	173.6	-168.4	176.7	-177.2	0	0	110.9	Y232	E230-Y232 VanDerWaalsContact C-N 3.34Å; E230-Y232 WeakPolarHBondContact O-CD2 3.47Å
231	G	89.3	Confident	89.8	Confident	13 Å²	13	78.3 Å²	78.3	13%	0.134	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.2	1.8	-173.9	0	0	0	0	0	114.9	P229 I244	P229-G231 PolarHBondContact O-N 2.94Å; G231-I244 WeakPolarHBondContact O-CB 3.1Å; G231-I244 PolarHBondContact O-N 2.94Å
232	Y	91.9	Very high	89.9	Confident	69 Å²	69	76.3 Å²	76.3	27%	0.271	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	145.1	178.5	-63.5	-100.6	0	0	0	112.4	P229 E230 C241 E242 D243 P260 G261	P229-Y232 HydrophobicContact CB-CD2 4.05Å; P229-Y232 WeakPolarHBondContact O-CB 3.48Å; P229-Y232 PolarHBondContact O-N 2.92Å; P229-Y232 VanDerWaalsContact O-N 3.1Å; E230-Y232 VanDerWaalsContact C-N 3.34Å; E230-Y232 WeakPolarHBondContact O-CD2 3.47Å; Y232-C241 HydrophobicContact CD1-CB 4.18Å; Y232-C241 HydrophobicContact CG-CB 4.31Å; Y232-E242 CarbonylContact C-O 3.59Å; Y232-E242 VanDerWaalsContact CA-O 3.31Å; Y232-E242 WeakPolarHBondContact CA-O 3.25Å; Y232-D243 HydrophobicContact CD1-CB 4.3Å; Y232-D243 HydrophobicContact CE1-CB 4.11Å; Y232-P260 VanDerWaalsContact OH-CB 3.3Å; Y232-P260 WeakPolarHBondContact OH-CB 3.4Å; Y232-G261 PolarHBondContact OH-N 2.97Å
233	R	91.1	Very high	90.1	Very high	128 Å²	128	77.8 Å²	77.8	48%	0.483	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	139.2	172.4	69.8	-179.7	76	-160	-1.4	110.7	E242 I244 E249	R233-E242 HydrophobicContact CG-CB 4.45Å; R233-E242 PolarHBondContact N-O 2.65Å; R233-E242 PolarHBondContact O-N 3.29Å; R233-I244 HydrophobicContact CB-CD1 4.19Å; R233-I244 HydrophobicContact CB-CG1 3.9Å; R233-I244 HydrophobicContact CG-CG1 4.21Å; R233-E249 IonicContact NH2-OE1 2.67Å
234	Y	92.1	Very high	90.2	Very high	56 Å²	56	75.5 Å²	75.5	22%	0.22	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	125.9	175.4	-174.2	-115.1	0	0	0	111	C212 A215 C226 L236	C212-Y234 WeakPolarHBondContact CA-OH 3.32Å; C212-Y234 WeakPolarHBondContact O-CE2 3.39Å; A215-Y234 HydrophobicContact CB-CD2 3.62Å; A215-Y234 HydrophobicContact CB-CE2 3.76Å; C226-Y234 HydrophobicContact CB-CD1 3.65Å; C226-Y234 HydrophobicContact CB-CD2 3.94Å; C226-Y234 HydrophobicContact CB-CE1 3.57Å; C226-Y234 HydrophobicContact CB-CE2 3.89Å; C226-Y234 HydrophobicContact CB-CG 3.82Å; Y234-L236 HydrophobicContact CD1-CD2 4.24Å; Y234-L236 HydrophobicContact CE1-CD2 3.8Å; Y234-L236 HydrophobicContact CE1-CG 4.4Å
235	N	89.6	Confident	90.3	Very high	49 Å²	49	76.3 Å²	76.3	26%	0.262	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	113.6	175.6	-178.4	-30.4	0	0	0	110.4	K237 S238 K239 S240 E242	N235-K237 PolarHBondContact O-N 2.97Å; N235-K237 WeakPolarHBondContact OD1-CB 3.46Å; N235-K237 PolarHBondContact OD1-N 3.01Å; N235-S238 WeakPolarHBondContact CB-OG 3.47Å; N235-S238 PolarHBondContact O-N 2.84Å; N235-S238 PolarHBondContact OD1-N 2.9Å; N235-S238 PolarHBondContact OD1-OG 2.87Å; N235-K239 VanDerWaalsContact O-CA 3.3Å; N235-K239 WeakPolarHBondContact O-CA 3.29Å; N235-K239 PolarHBondContact O-N 2.84Å; N235-S240 PolarHBondContact N-O 2.73Å; N235-E242 HydrophobicContact CB-CG 4.23Å; N235-E242 PolarHBondContact ND2-OE1 3.46Å; N235-E242 PolarHBondContact ND2-OE2 3.49Å
236	L	86.6	Confident	90.5	Very high	144 Å²	144	72.6 Å²	72.6	75%	0.754	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-28.1	-178.3	-72.2	165.4	0	0	0	113.8	Y234	Y234-L236 HydrophobicContact CD1-CD2 4.24Å; Y234-L236 HydrophobicContact CE1-CD2 3.8Å; Y234-L236 HydrophobicContact CE1-CG 4.4Å
237	K	86.4	Confident	90.5	Very high	200 Å²	200	73 Å²	73	87%	0.87	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-44.3	-177.1	-173.2	-178.3	178.4	-175	0	111.7	N235	N235-K237 PolarHBondContact O-N 2.97Å; N235-K237 WeakPolarHBondContact OD1-CB 3.46Å; N235-K237 PolarHBondContact OD1-N 3.01Å
238	S	86.1	Confident	90.5	Very high	56 Å²	56	73.8 Å²	73.8	39%	0.392	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-14.7	177.7	48.5	0	0	0	0	112.9	N235 S240 E242	N235-S238 WeakPolarHBondContact CB-OG 3.47Å; N235-S238 PolarHBondContact O-N 2.84Å; N235-S238 PolarHBondContact OD1-N 2.9Å; N235-S238 PolarHBondContact OD1-OG 2.87Å; S238-S240 WeakPolarHBondContact CB-OG 3.3Å; S238-S240 PolarHBondContact O-N 2.78Å; S238-S240 PolarHBondContact OG-OG 2.76Å; S238-S240 VanDerWaalsContact OG-OG 3.12Å; S238-E242 PolarHBondContact OG-OE1 2.83Å
239	K	87.3	Confident	90.3	Very high	110 Å²	110	78 Å²	78	48%	0.478	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.5	41	-173.3	-60.4	-174	177	-171.8	0	111.9	G213 N235	G213-K239 WeakPolarHBondContact CA-O 3.24Å; N235-K239 VanDerWaalsContact O-CA 3.3Å; N235-K239 WeakPolarHBondContact O-CA 3.29Å; N235-K239 PolarHBondContact O-N 2.84Å
240	S	89.7	Confident	90	Very high	32 Å²	32	81.1 Å²	81.1	22%	0.224	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	159.8	-177.6	57.5	0	0	0	0	111	N235 S238	N235-S240 PolarHBondContact N-O 2.73Å; S238-S240 WeakPolarHBondContact CB-OG 3.3Å; S238-S240 PolarHBondContact O-N 2.78Å; S238-S240 PolarHBondContact OG-OG 2.76Å; S238-S240 VanDerWaalsContact OG-OG 3.12Å
241	C	91.3	Very high	89.9	Confident	27 Å²	27	75.5 Å²	75.5	18%	0.182	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	119.2	170.5	-64	0	0	0	0	109	T214 A215 C228 Y232	T214-C241 PolarHBondContact OG1-N 2.67Å; A215-C241 VanDerWaalsContact CB-SG 3.59Å; C228-C241 WeakPolarHBondContact CA-SG 3.37Å; C228-C241 HydrophobicContact CB-CB 3.84Å; C228-C241 WeakPolarHBondContact CB-SG 3.42Å; C228-C241 WeakPolarHBondContact SG-CA 3.44Å; C228-C241 WeakPolarHBondContact SG-CB 3.34Å; C228-C241 CovalentContact SG-SG 2.04Å; C228-C241 PolarHBondContact SG-SG 3.19Å; Y232-C241 HydrophobicContact CD1-CB 4.18Å; Y232-C241 HydrophobicContact CG-CB 4.31Å
242	E	91.8	Very high	90.1	Very high	73 Å²	73	75.7 Å²	75.7	34%	0.341	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	136.1	176.7	-71.5	172.9	-172.2	0	0	108.8	Y232 R233 N235 S238 I244	Y232-E242 CarbonylContact C-O 3.59Å; Y232-E242 VanDerWaalsContact CA-O 3.31Å; Y232-E242 WeakPolarHBondContact CA-O 3.25Å; R233-E242 HydrophobicContact CG-CB 4.45Å; R233-E242 PolarHBondContact N-O 2.65Å; R233-E242 PolarHBondContact O-N 3.29Å; N235-E242 HydrophobicContact CB-CG 4.23Å; N235-E242 PolarHBondContact ND2-OE1 3.46Å; N235-E242 PolarHBondContact ND2-OE2 3.49Å; S238-E242 PolarHBondContact OG-OE1 2.83Å; E242-I244 PolarHBondContact O-N 3.29Å
243	D	92.9	Very high	90.1	Very high	52 Å²	52	75.5 Å²	75.5	28%	0.278	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	134.4	178.8	-174	60.9	0	0	0	110.7	Y232 N258 P260 G261	Y232-D243 HydrophobicContact CD1-CB 4.3Å; Y232-D243 HydrophobicContact CE1-CB 4.11Å; D243-N258 PolarHBondContact OD2-ND2 2.86Å; D243-P260 WeakPolarHBondContact OD1-CA 3.47Å; D243-G261 PolarHBondContact OD1-N 2.97Å
244	I	92.8	Very high	90.1	Very high	38 Å²	38	73.3 Å²	73.3	20%	0.195	39%	0.389	C	S	.	.			trans	-82.8	117	172.5	-67.1	166	0	0	0	106.8	G231 R233 E242 E246 N258	G231-I244 WeakPolarHBondContact O-CB 3.1Å; G231-I244 PolarHBondContact O-N 2.94Å; R233-I244 HydrophobicContact CB-CD1 4.19Å; R233-I244 HydrophobicContact CB-CG1 3.9Å; R233-I244 HydrophobicContact CG-CG1 4.21Å; E242-I244 PolarHBondContact O-N 3.29Å; I244-E246 HydrophobicContact CG2-CG 4.07Å; I244-E246 PolarHBondContact O-N 3.02Å; I244-E246 VanDerWaalsContact O-OE2 3.04Å; I244-N258 PolarHBondContact O-OD1 2.93Å
245	D	92.4	Very high	90	Very high	62 Å²	62	73.4 Å²	73.4	33%	0.332	39%	0.393	S	S	.	.			trans	-78.1	90.6	171.1	178.9	10.7	0	0	0	110.2	C247 S248	D245-C247 PolarHBondContact O-N 3.24Å; D245-C247 VanDerWaalsContact OD1-CB 3.28Å; D245-C247 WeakPolarHBondContact OD1-CB 3.4Å; D245-C247 PolarHBondContact OD1-N 2.96Å; D245-C247 VanDerWaalsContact OD1-N 3.11Å; D245-S248 WeakPolarHBondContact O-CB 3.45Å; D245-S248 PolarHBondContact O-N 3.15Å; D245-S248 PolarHBondContact OD1-N 2.97Å; D245-S248 PolarHBondContact OD2-OG 3.26Å
246	E	93.3	Very high	90.2	Very high	23 Å²	23	73 Å²	73	11%	0.107	39%	0.394	C	S	.	.	G	3₁₀ helix	trans	-66.6	-20.2	179.1	-60.9	91	175.2	0	0	112.7	I244 S248 E249 M251 N258 Y263	I244-E246 HydrophobicContact CG2-CG 4.07Å; I244-E246 PolarHBondContact O-N 3.02Å; I244-E246 VanDerWaalsContact O-OE2 3.04Å; E246-S248 VanDerWaalsContact C-N 3.28Å; E246-S248 PolarHBondContact O-N 2.94Å; E246-E249 PolarHBondContact O-N 3.26Å; E246-E249 VanDerWaalsContact O-N 3.15Å; E246-M251 HydrophobicContact CB-CG 4.26Å; E246-M251 VanDerWaalsContact O-CG 3.32Å; E246-M251 WeakPolarHBondContact O-CG 3.37Å; E246-N258 PolarHBondContact OE2-OD1 3.18Å; E246-N258 VanDerWaalsContact OE2-OD1 3.07Å; E246-Y263 HydrophobicContact CB-CD1 3.37Å; E246-Y263 HydrophobicContact CB-CD2 4.42Å; E246-Y263 HydrophobicContact CB-CE1 3.79Å; E246-Y263 HydrophobicContact CB-CG 3.74Å; E246-Y263 HydrophobicContact CG-CD1 3.5Å; E246-Y263 VanDerWaalsContact CG-CD1 3.5Å; E246-Y263 HydrophobicContact CG-CE1 3.84Å; E246-Y263 HydrophobicContact CG-CG 4.32Å; E246-Y263 WeakPolarHBondContact OE2-CD1 3.47Å
247	C	92.4	Very high	90.4	Very high	28 Å²	28	68.9 Å²	68.9	19%	0.189	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-69.2	-28.7	176.3	-62	0	0	0	0	112.2	D245 E249 N250 C256 V257 N258	D245-C247 PolarHBondContact O-N 3.24Å; D245-C247 VanDerWaalsContact OD1-CB 3.28Å; D245-C247 WeakPolarHBondContact OD1-CB 3.4Å; D245-C247 PolarHBondContact OD1-N 2.96Å; D245-C247 VanDerWaalsContact OD1-N 3.11Å; C247-E249 PolarHBondContact O-N 2.97Å; C247-N250 PolarHBondContact O-N 2.94Å; C247-C256 WeakPolarHBondContact CA-SG 3.34Å; C247-C256 HydrophobicContact CB-CB 3.65Å; C247-C256 WeakPolarHBondContact CB-SG 3.14Å; C247-C256 WeakPolarHBondContact SG-CB 3.49Å; C247-C256 CovalentContact SG-SG 2.03Å; C247-C256 PolarHBondContact SG-SG 3.01Å; C247-V257 VanDerWaalsContact SG-C 3.57Å; C247-N258 HydrophobicContact CB-CB 4.47Å; C247-N258 PolarHBondContact SG-N 2.83Å
248	S	91.3	Very high	90.6	Very high	89 Å²	89	61.7 Å²	61.7	62%	0.622	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-66.9	-15.1	172.9	-77.2	0	0	0	0	113.1	D245 E246	D245-S248 WeakPolarHBondContact O-CB 3.45Å; D245-S248 PolarHBondContact O-N 3.15Å; D245-S248 PolarHBondContact OD1-N 2.97Å; D245-S248 PolarHBondContact OD2-OG 3.26Å; E246-S248 VanDerWaalsContact C-N 3.28Å; E246-S248 PolarHBondContact O-N 2.94Å
249	E	87.3	Confident	90.9	Very high	120 Å²	120	64.4 Å²	64.4	56%	0.561	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-98.4	9.6	179.7	-59	-170.3	-170.4	0	0	113.5	R233 E246 C247 M251	R233-E249 IonicContact NH2-OE1 2.67Å; E246-E249 PolarHBondContact O-N 3.26Å; E246-E249 VanDerWaalsContact O-N 3.15Å; C247-E249 PolarHBondContact O-N 2.97Å; E249-M251 VanDerWaalsContact C-N 3.32Å; E249-M251 HydrophobicContact CB-CG 4.15Å; E249-M251 PolarHBondContact O-N 2.91Å
250	N	84.9	Confident	91.1	Very high	147 Å²	147	63.9 Å²	63.9	79%	0.786	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	55	41.1	-178.6	-66.7	-50.4	0	0	0	114	C247 C252	C247-N250 PolarHBondContact O-N 2.94Å; N250-C252 PolarHBondContact O-N 3.38Å
251	M	88.3	Confident	91.1	Very high	69 Å²	69	63.8 Å²	63.8	34%	0.34	36%	0.36	S	S	.	.			trans	-71	-14.1	-177.6	-68.9	-68.4	-85.4	0	0	114.8	E246 E249 Y263	E246-M251 HydrophobicContact CB-CG 4.26Å; E246-M251 VanDerWaalsContact O-CG 3.32Å; E246-M251 WeakPolarHBondContact O-CG 3.37Å; E249-M251 VanDerWaalsContact C-N 3.32Å; E249-M251 HydrophobicContact CB-CG 4.15Å; E249-M251 PolarHBondContact O-N 2.91Å; M251-Y263 HydrophobicContact CB-CE2 3.75Å
252	C	92.1	Very high	91.2	Very high	18 Å²	18	62.9 Å²	62.9	12%	0.122	36%	0.355	C	S	.	.	S	Bend	trans	-113.4	145.9	-178.9	-58.1	0	0	0	0	111.5	N250 Q254 C256 C265	N250-C252 PolarHBondContact O-N 3.38Å; C252-Q254 VanDerWaalsContact C-N 3.34Å; C252-Q254 PolarHBondContact O-N 3.03Å; C252-C256 HydrophobicContact CB-CB 3.96Å; C252-C256 VanDerWaalsContact SG-CB 3.5Å; C252-C256 PolarHBondContact SG-SG 3.14Å; C252-C265 VanDerWaalsContact CA-SG 3.52Å; C252-C265 HydrophobicContact CB-CB 3.67Å; C252-C265 WeakPolarHBondContact CB-SG 3.41Å; C252-C265 WeakPolarHBondContact SG-CA 3.39Å; C252-C265 WeakPolarHBondContact SG-CB 3.5Å; C252-C265 CovalentContact SG-SG 2.02Å; C252-C265 PolarHBondContact SG-SG 2.81Å
253	A	91.7	Very high	91.2	Very high	65 Å²	65	61.7 Å²	61.7	54%	0.537	35%	0.348	S	S	.	.	S	Bend	trans	-68.9	-29	179.1	0	0	0	0	0	114.1	K280	A253-K280 WeakPolarHBondContact CB-O 3.25Å; A253-K280 PolarHBondContact N-O 3.12Å
254	Q	91.4	Very high	91.1	Very high	82 Å²	82	61.4 Å²	61.4	38%	0.383	35%	0.348	S	S	.	.	S	Bend	trans	-130.9	-86.3	-180	-69.1	-175.7	1.1	0	0	111.8	C252 C282	C252-Q254 VanDerWaalsContact C-N 3.34Å; C252-Q254 PolarHBondContact O-N 3.03Å; Q254-C282 VanDerWaalsContact CD-SG 3.58Å; Q254-C282 HydrophobicContact CG-CB 4.39Å
255	L	91.1	Very high	91.1	Very high	58 Å²	58	59.8 Å²	59.8	30%	0.304	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	139.8	-172.6	-62.5	158.2	0	0	0	109.6	C265 Y266 F627	L255-C265 CarbonylContact O-C 3.57Å; L255-C265 WeakPolarHBondContact O-CA 3.21Å; L255-Y266 WeakPolarHBondContact CB-O 3.38Å; L255-Y266 PolarHBondContact N-O 3.46Å; L255-Y266 VanDerWaalsContact N-O 3.09Å; L255-Y266 PolarHBondContact O-N 3.3Å; L255-F627 HydrophobicContact CD1-CB 4.44Å; L255-F627 HydrophobicContact CD1-CD1 3.83Å; L255-F627 HydrophobicContact CD1-CD2 3.47Å; L255-F627 VanDerWaalsContact CD1-CD2 3.47Å; L255-F627 HydrophobicContact CD1-CE1 3.8Å; L255-F627 HydrophobicContact CD1-CE2 3.45Å; L255-F627 VanDerWaalsContact CD1-CE2 3.45Å; L255-F627 HydrophobicContact CD1-CG 3.66Å; L255-F627 HydrophobicContact CD1-CZ 3.61Å; L255-F627 HydrophobicContact CD2-CD2 4.39Å; L255-F627 HydrophobicContact CD2-CE2 4.18Å; L255-F627 HydrophobicContact CG-CD2 4.49Å; L255-F627 HydrophobicContact CG-CE2 4.46Å
256	C	92.5	Very high	91.1	Very high	40 Å²	40	57.9 Å²	57.9	27%	0.27	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	135.5	179.5	-171.8	0	0	0	0	109.8	C247 C252	C247-C256 WeakPolarHBondContact CA-SG 3.34Å; C247-C256 HydrophobicContact CB-CB 3.65Å; C247-C256 WeakPolarHBondContact CB-SG 3.14Å; C247-C256 WeakPolarHBondContact SG-CB 3.49Å; C247-C256 CovalentContact SG-SG 2.03Å; C247-C256 PolarHBondContact SG-SG 3.01Å; C252-C256 HydrophobicContact CB-CB 3.96Å; C252-C256 VanDerWaalsContact SG-CB 3.5Å; C252-C256 PolarHBondContact SG-SG 3.14Å
257	V	91.1	Very high	91.1	Very high	58 Å²	58	57 Å²	57	35%	0.352	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	116.1	172.4	-179	0	0	0	0	108.2	C247 Y263 T264 Y266	C247-V257 VanDerWaalsContact SG-C 3.57Å; V257-Y263 CarbonylContact O-C 3.57Å; V257-Y263 WeakPolarHBondContact O-CA 3.38Å; V257-T264 PolarHBondContact N-O 2.65Å; V257-T264 PolarHBondContact O-N 2.96Å; V257-Y266 HydrophobicContact CB-CE2 4.01Å; V257-Y266 HydrophobicContact CG2-CD2 3.92Å; V257-Y266 HydrophobicContact CG2-CE2 3.69Å
258	N	91.1	Very high	91.2	Very high	49 Å²	49	56.5 Å²	56.5	26%	0.262	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	141.8	174.9	-170.8	53.7	0	0	0	110.5	D243 I244 E246 C247 G262	D243-N258 PolarHBondContact OD2-ND2 2.86Å; I244-N258 PolarHBondContact O-OD1 2.93Å; E246-N258 PolarHBondContact OE2-OD1 3.18Å; E246-N258 VanDerWaalsContact OE2-OD1 3.07Å; C247-N258 HydrophobicContact CB-CB 4.47Å; C247-N258 PolarHBondContact SG-N 2.83Å; N258-G262 PolarHBondContact OD1-O 3.16Å
259	Y	91.3	Very high	91.2	Very high	112 Å²	112	52.4 Å²	52.4	44%	0.439	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	162.5	172.8	58.7	-95.1	0	0	0	110.1	G261 G262 Y263 T264	Y259-G261 PolarHBondContact O-N 3Å; Y259-G262 CarbonylContact C-O 3.4Å; Y259-G262 WeakPolarHBondContact CD1-O 3.44Å; Y259-G262 PolarHBondContact N-O 3.2Å; Y259-G262 CarbonylContact O-C 3.59Å; Y259-G262 PolarHBondContact O-N 3.06Å; Y259-Y263 PolarHBondContact OH-O 3.28Å; Y259-T264 WeakPolarHBondContact CE1-OG1 3.44Å
260	P	92.2	Very high	91.4	Very high	100 Å²	100	49.3 Å²	49.3	65%	0.649	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	113.3	-176.1	-26.7	35.9	0	0	0	112.9	Y232 D243	Y232-P260 VanDerWaalsContact OH-CB 3.3Å; Y232-P260 WeakPolarHBondContact OH-CB 3.4Å; D243-P260 WeakPolarHBondContact OD1-CA 3.47Å
261	G	90.3	Very high	91.7	Very high	30 Å²	30	49.5 Å²	49.5	31%	0.309	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.2	7	-179.9	0	0	0	0	0	115.6	Y232 D243 Y259	Y232-G261 PolarHBondContact OH-N 2.97Å; D243-G261 PolarHBondContact OD1-N 2.97Å; Y259-G261 PolarHBondContact O-N 3Å
262	G	92.4	Very high	91.9	Very high	8 Å²	8	47.4 Å²	47.4	8%	0.082	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	163.3	-162.8	170.2	0	0	0	0	0	114.7	N258 Y259	N258-G262 PolarHBondContact OD1-O 3.16Å; Y259-G262 CarbonylContact C-O 3.4Å; Y259-G262 WeakPolarHBondContact CD1-O 3.44Å; Y259-G262 PolarHBondContact N-O 3.2Å; Y259-G262 CarbonylContact O-C 3.59Å; Y259-G262 PolarHBondContact O-N 3.06Å
263	Y	92.6	Very high	91.9	Very high	47 Å²	47	50 Å²	50	18%	0.184	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	167.7	-171.8	71.5	-74.5	0	0	0	112.8	E246 M251 V257 Y259 K280	E246-Y263 HydrophobicContact CB-CD1 3.37Å; E246-Y263 HydrophobicContact CB-CD2 4.42Å; E246-Y263 HydrophobicContact CB-CE1 3.79Å; E246-Y263 HydrophobicContact CB-CG 3.74Å; E246-Y263 HydrophobicContact CG-CD1 3.5Å; E246-Y263 VanDerWaalsContact CG-CD1 3.5Å; E246-Y263 HydrophobicContact CG-CE1 3.84Å; E246-Y263 HydrophobicContact CG-CG 4.32Å; E246-Y263 WeakPolarHBondContact OE2-CD1 3.47Å; M251-Y263 HydrophobicContact CB-CE2 3.75Å; V257-Y263 CarbonylContact O-C 3.57Å; V257-Y263 WeakPolarHBondContact O-CA 3.38Å; Y259-Y263 PolarHBondContact OH-O 3.28Å; Y263-K280 WeakPolarHBondContact OH-CE 3.48Å; Y263-K280 PolarHBondContact OH-NZ 2.92Å
264	T	91.3	Very high	91.9	Very high	46 Å²	46	48.5 Å²	48.5	28%	0.282	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	133.4	171.4	-62.6	0	0	0	0	110.4	V257 Y259 Y266	V257-T264 PolarHBondContact N-O 2.65Å; V257-T264 PolarHBondContact O-N 2.96Å; Y259-T264 WeakPolarHBondContact CE1-OG1 3.44Å; T264-Y266 HydrophobicContact CG2-CD2 4.28Å; T264-Y266 HydrophobicContact CG2-CE1 4.32Å; T264-Y266 HydrophobicContact CG2-CE2 3.64Å
265	C	92.8	Very high	91.9	Very high	5 Å²	5	46.9 Å²	46.9	3%	0.034	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	143.3	174.5	-57.5	0	0	0	0	111.1	C252 L255 L275 Q279	C252-C265 VanDerWaalsContact CA-SG 3.52Å; C252-C265 HydrophobicContact CB-CB 3.67Å; C252-C265 WeakPolarHBondContact CB-SG 3.41Å; C252-C265 WeakPolarHBondContact SG-CA 3.39Å; C252-C265 WeakPolarHBondContact SG-CB 3.5Å; C252-C265 CovalentContact SG-SG 2.02Å; C252-C265 PolarHBondContact SG-SG 2.81Å; L255-C265 CarbonylContact O-C 3.57Å; L255-C265 WeakPolarHBondContact O-CA 3.21Å; C265-L275 HydrophobicContact CB-CD1 3.94Å; C265-Q279 WeakPolarHBondContact CB-O 3.19Å; C265-Q279 PolarHBondContact SG-O 2.97Å
266	Y	92.3	Very high	91.9	Very high	21 Å²	21	44.8 Å²	44.8	8%	0.082	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	151	174.2	-61.8	-93	0	0	0	110	L255 V257 T264 N556 F627	L255-Y266 WeakPolarHBondContact CB-O 3.38Å; L255-Y266 PolarHBondContact N-O 3.46Å; L255-Y266 VanDerWaalsContact N-O 3.09Å; L255-Y266 PolarHBondContact O-N 3.3Å; V257-Y266 HydrophobicContact CB-CE2 4.01Å; V257-Y266 HydrophobicContact CG2-CD2 3.92Å; V257-Y266 HydrophobicContact CG2-CE2 3.69Å; T264-Y266 HydrophobicContact CG2-CD2 4.28Å; T264-Y266 HydrophobicContact CG2-CE1 4.32Å; T264-Y266 HydrophobicContact CG2-CE2 3.64Å; Y266-N556 PolarHBondContact OH-ND2 3.17Å; Y266-F627 HydrophobicContact CD1-CB 4.5Å; Y266-F627 WeakPolarHBondContact CD1-O 3.47Å; Y266-F627 WeakPolarHBondContact CE1-O 3.12Å; Y266-F627 HydrophobicContact CG-CB 4.33Å
267	C	93.1	Very high	91.6	Very high	5 Å²	5	51.7 Å²	51.7	3%	0.034	27%	0.27	C	S	.	.			trans	-113.6	150.3	172.5	-59.3	0	0	0	0	109.8	G269 F273 K274 C282 N633	C267-G269 PolarHBondContact O-N 2.94Å; C267-F273 HydrophobicContact CB-CB 4.01Å; C267-K274 PolarHBondContact SG-O 3.36Å; C267-C282 HydrophobicContact CB-CB 3.87Å; C267-C282 WeakPolarHBondContact CB-SG 3.42Å; C267-C282 WeakPolarHBondContact SG-CA 3.49Å; C267-C282 WeakPolarHBondContact SG-CB 3.42Å; C267-C282 CovalentContact SG-SG 2.03Å; C267-C282 PolarHBondContact SG-SG 2.85Å; C267-N633 PolarHBondContact O-ND2 3.42Å; C267-N633 PolarHBondContact O-OD1 3.38Å
268	D	93.2	Very high	91.6	Very high	18 Å²	18	52.8 Å²	52.8	10%	0.096	27%	0.274	C	S	.	.			trans	-78.2	86.9	179.2	-170.3	-10.2	0	0	0	110.5	K270 K271 F273	D268-K270 PolarHBondContact O-N 2.02Å; D268-K270 WeakPolarHBondContact OD1-CB 3.19Å; D268-K270 PolarHBondContact OD1-N 3.03Å; D268-K271 HydrophobicContact CB-CB 4.42Å; D268-K271 HydrophobicContact CB-CD 4.47Å; D268-K271 PolarHBondContact O-N 2.99Å; D268-K271 PolarHBondContact OD1-N 2.79Å; D268-K271 WeakPolarHBondContact OD2-CD 3.09Å; D268-K271 WeakPolarHBondContact OD2-CE 3.47Å; D268-K271 WeakPolarHBondContact OD2-CG 3Å; D268-K271 IonicContact OD2-NZ 3.47Å; D268-K271 PolarHBondContact OD2-NZ 2.98Å; D268-F273 PolarHBondContact O-N 2.96Å
269	G	92.1	Very high	91.6	Very high	2 Å²	2	56 Å²	56	2%	0.021	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-66.1	-22	177.4	0	0	0	0	0	113.9	C267 K271 G272 F273 N633 A634	C267-G269 PolarHBondContact O-N 2.94Å; G269-K271 PolarHBondContact O-N 2.79Å; G269-G272 PolarHBondContact O-N 3.03Å; G269-F273 WeakPolarHBondContact CA-O 3.44Å; G269-F273 PolarHBondContact N-O 2.93Å; G269-N633 WeakPolarHBondContact CA-OD1 3.24Å; G269-N633 PolarHBondContact N-OD1 3.35Å; G269-A634 WeakPolarHBondContact O-CA 2.97Å
270	K	91.2	Very high	91.6	Very high	55 Å²	55	54.6 Å²	54.6	24%	0.239	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-64.4	-24.3	172.1	-64.6	-177.7	172	172.7	0	111.5	D268 P623 D624 F635	D268-K270 PolarHBondContact O-N 2.02Å; D268-K270 WeakPolarHBondContact OD1-CB 3.19Å; D268-K270 PolarHBondContact OD1-N 3.03Å; K270-P623 PolarHBondContact NZ-O 3.09Å; K270-D624 IonicContact NZ-OD1 2.74Å; K270-D624 PolarHBondContact NZ-OD1 3.21Å; K270-F635 HydrophobicContact CB-CD2 4.3Å; K270-F635 HydrophobicContact CB-CE2 3.62Å; K270-F635 HydrophobicContact CB-CZ 4.13Å; K270-F635 HydrophobicContact CD-CE2 4.43Å; K270-F635 HydrophobicContact CD-CZ 4.08Å; K270-F635 HydrophobicContact CG-CD2 4.48Å; K270-F635 HydrophobicContact CG-CE2 3.74Å; K270-F635 HydrophobicContact CG-CZ 3.74Å
271	K	92.3	Very high	91.7	Very high	152 Å²	152	52.4 Å²	52.4	66%	0.661	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-95.3	9.2	171.6	-65.3	-177.4	-173.4	129.5	0	113.7	D268 G269 F273	D268-K271 HydrophobicContact CB-CB 4.42Å; D268-K271 HydrophobicContact CB-CD 4.47Å; D268-K271 PolarHBondContact O-N 2.99Å; D268-K271 PolarHBondContact OD1-N 2.79Å; D268-K271 WeakPolarHBondContact OD2-CD 3.09Å; D268-K271 WeakPolarHBondContact OD2-CE 3.47Å; D268-K271 WeakPolarHBondContact OD2-CG 3Å; D268-K271 IonicContact OD2-NZ 3.47Å; D268-K271 PolarHBondContact OD2-NZ 2.98Å; G269-K271 PolarHBondContact O-N 2.79Å; K271-F273 HydrophobicContact CB-CD2 3.83Å; K271-F273 HydrophobicContact CB-CE2 3.95Å
272	G	91.9	Very high	91.9	Very high	25 Å²	25	52.5 Å²	52.5	26%	0.258	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.5	27.8	178	0	0	0	0	0	114.5	G269 A284 V285	G269-G272 PolarHBondContact O-N 3.03Å; G272-A284 WeakPolarHBondContact O-CA 3.31Å; G272-V285 PolarHBondContact O-N 2.89Å
273	F	93.1	Very high	91.9	Very high	71 Å²	71	56 Å²	56	31%	0.311	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	146.2	173.5	-63.1	-81.6	0	0	0	112.5	C267 D268 G269 K271 C282 E283	C267-F273 HydrophobicContact CB-CB 4.01Å; D268-F273 PolarHBondContact O-N 2.96Å; G269-F273 WeakPolarHBondContact CA-O 3.44Å; G269-F273 PolarHBondContact N-O 2.93Å; K271-F273 HydrophobicContact CB-CD2 3.83Å; K271-F273 HydrophobicContact CB-CE2 3.95Å; F273-C282 HydrophobicContact CB-CB 4.4Å; F273-C282 HydrophobicContact CD1-CB 4.5Å; F273-E283 CarbonylContact C-O 3.55Å; F273-E283 VanDerWaalsContact CA-O 3.27Å; F273-E283 WeakPolarHBondContact CA-O 3.4Å
274	K	91.8	Very high	91.9	Very high	34 Å²	34	57 Å²	57	15%	0.148	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	160.4	170.9	58.2	170.2	164.4	148.6	0	110.3	C267 C282 E283 V285 D541	C267-K274 PolarHBondContact SG-O 3.36Å; K274-C282 WeakPolarHBondContact O-CA 3.24Å; K274-E283 HydrophobicContact CD-CG 4.14Å; K274-E283 WeakPolarHBondContact CD-OE1 3.21Å; K274-E283 WeakPolarHBondContact CE-OE1 3.29Å; K274-E283 HydrophobicContact CG-CG 3.56Å; K274-E283 PolarHBondContact N-O 2.94Å; K274-E283 IonicContact NZ-OE1 3.91Å; K274-E283 PolarHBondContact NZ-OE1 2.92Å; K274-E283 PolarHBondContact O-N 2.93Å; K274-V285 HydrophobicContact CB-CG2 4.04Å; K274-V285 HydrophobicContact CD-CG2 4.5Å; K274-V285 HydrophobicContact CG-CG2 4.09Å; K274-D541 WeakPolarHBondContact CE-OD2 3.47Å; K274-D541 IonicContact NZ-OD2 3.95Å; K274-D541 PolarHBondContact NZ-OD2 3.41Å
275	L	90.9	Very high	92	Very high	48 Å²	48	55.4 Å²	55.4	25%	0.251	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	130.2	177.2	-166	66.9	0	0	0	109.9	C265 Q279	C265-L275 HydrophobicContact CB-CD1 3.94Å; L275-Q279 HydrophobicContact CD2-CB 4.38Å
276	A	90.4	Very high	91.8	Very high	14 Å²	14	57.6 Å²	57.6	12%	0.116	30%	0.304	C	S	.	.			trans	-74.6	172.7	178	0	0	0	0	0	111.6	D278 Q279 S281 E283	A276-D278 PolarHBondContact O-N 2.98Å; A276-Q279 PolarHBondContact O-N 3.07Å; A276-S281 VanDerWaalsContact CB-O 3.31Å; A276-S281 WeakPolarHBondContact CB-O 3.44Å; A276-S281 PolarHBondContact N-O 3.05Å; A276-E283 HydrophobicContact CB-CG 4.46Å
277	Q	87.1	Confident	91.8	Very high	185 Å²	185	61.3 Å²	61.3	86%	0.864	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-25.7	-176.9	-169.9	173.5	5	0	0	113.9	Q279	Q277-Q279 PolarHBondContact O-N 2Å
278	D	90.3	Very high	91.6	Very high	81 Å²	81	63 Å²	63	43%	0.433	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-3.8	177.2	69.2	-5	0	0	0	114	A276 K280 S281	A276-D278 PolarHBondContact O-N 2.98Å; D278-K280 PolarHBondContact O-N 3.07Å; D278-K280 PolarHBondContact OD1-N 2.79Å; D278-S281 WeakPolarHBondContact OD1-CB 3.41Å; D278-S281 PolarHBondContact OD1-N 2.86Å; D278-S281 VanDerWaalsContact OD2-CB 3.24Å; D278-S281 WeakPolarHBondContact OD2-CB 3.43Å; D278-S281 PolarHBondContact OD2-N 2.86Å; D278-S281 PolarHBondContact OD2-OG 2.79Å
279	Q	90.6	Very high	91.6	Very high	117 Å²	117	62.7 Å²	62.7	55%	0.547	34%	0.339	S	S	.	.	S	Bend	trans	58.4	19.4	-176	-57.8	-66.4	-47.8	0	0	114.1	C265 L275 A276 Q277	C265-Q279 WeakPolarHBondContact CB-O 3.19Å; C265-Q279 PolarHBondContact SG-O 2.97Å; L275-Q279 HydrophobicContact CD2-CB 4.38Å; A276-Q279 PolarHBondContact O-N 3.07Å; Q277-Q279 PolarHBondContact O-N 2Å
280	K	91.7	Very high	91.6	Very high	83 Å²	83	65.9 Å²	65.9	36%	0.361	36%	0.359	S	S	.	.	S	Bend	trans	-133.1	-37.8	-177.2	-63.8	-176.5	-168.6	-162.2	0	113.2	A253 Y263 D278	A253-K280 WeakPolarHBondContact CB-O 3.25Å; A253-K280 PolarHBondContact N-O 3.12Å; Y263-K280 WeakPolarHBondContact OH-CE 3.48Å; Y263-K280 PolarHBondContact OH-NZ 2.92Å; D278-K280 PolarHBondContact O-N 3.07Å; D278-K280 PolarHBondContact OD1-N 2.79Å
281	S	93.9	Very high	91.7	Very high	53 Å²	53	64.1 Å²	64.1	37%	0.371	35%	0.352	S	S	.	.			trans	-90	155.4	-178.1	-59.8	0	0	0	0	111.8	A276 D278	A276-S281 VanDerWaalsContact CB-O 3.31Å; A276-S281 WeakPolarHBondContact CB-O 3.44Å; A276-S281 PolarHBondContact N-O 3.05Å; D278-S281 WeakPolarHBondContact OD1-CB 3.41Å; D278-S281 PolarHBondContact OD1-N 2.86Å; D278-S281 VanDerWaalsContact OD2-CB 3.24Å; D278-S281 WeakPolarHBondContact OD2-CB 3.43Å; D278-S281 PolarHBondContact OD2-N 2.86Å; D278-S281 PolarHBondContact OD2-OG 2.79Å
282	C	94.6	Very high	91.7	Very high	32 Å²	32	58 Å²	58	22%	0.216	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	130.6	175.4	-63.3	0	0	0	0	110.9	Q254 C267 F273 K274	Q254-C282 VanDerWaalsContact CD-SG 3.58Å; Q254-C282 HydrophobicContact CG-CB 4.39Å; C267-C282 HydrophobicContact CB-CB 3.87Å; C267-C282 WeakPolarHBondContact CB-SG 3.42Å; C267-C282 WeakPolarHBondContact SG-CA 3.49Å; C267-C282 WeakPolarHBondContact SG-CB 3.42Å; C267-C282 CovalentContact SG-SG 2.03Å; C267-C282 PolarHBondContact SG-SG 2.85Å; F273-C282 HydrophobicContact CB-CB 4.4Å; F273-C282 HydrophobicContact CD1-CB 4.5Å; K274-C282 WeakPolarHBondContact O-CA 3.24Å
283	E	93.2	Very high	91.7	Very high	83 Å²	83	61.1 Å²	61.1	39%	0.388	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	154.7	174.5	65.6	179	-165	0	0	110.7	F273 K274 A276	F273-E283 CarbonylContact C-O 3.55Å; F273-E283 VanDerWaalsContact CA-O 3.27Å; F273-E283 WeakPolarHBondContact CA-O 3.4Å; K274-E283 HydrophobicContact CD-CG 4.14Å; K274-E283 WeakPolarHBondContact CD-OE1 3.21Å; K274-E283 WeakPolarHBondContact CE-OE1 3.29Å; K274-E283 HydrophobicContact CG-CG 3.56Å; K274-E283 PolarHBondContact N-O 2.94Å; K274-E283 IonicContact NZ-OE1 3.91Å; K274-E283 PolarHBondContact NZ-OE1 2.92Å; K274-E283 PolarHBondContact O-N 2.93Å; A276-E283 HydrophobicContact CB-CG 4.46Å
284	A	92.9	Very high	91.6	Very high	68 Å²	68	61.3 Å²	61.3	56%	0.562	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.7	142.2	174.3	0	0	0	0	0	110.3	G272 S286	G272-A284 WeakPolarHBondContact O-CA 3.31Å; A284-S286 PolarHBondContact O-N 2.82Å
285	V	92	Very high	91.5	Very high	12 Å²	12	63 Å²	63	7%	0.073	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-65.4	124.9	173.1	178.1	0	0	0	0	109.2	G272 K274 M518	G272-V285 PolarHBondContact O-N 2.89Å; K274-V285 HydrophobicContact CB-CG2 4.04Å; K274-V285 HydrophobicContact CD-CG2 4.5Å; K274-V285 HydrophobicContact CG-CG2 4.09Å; V285-M518 HydrophobicContact CB-CE 3.61Å; V285-M518 HydrophobicContact CG1-CB 4.07Å; V285-M518 HydrophobicContact CG1-CE 3.54Å
286	S	89.7	Confident	91.4	Very high	50 Å²	50	66.2 Å²	66.2	35%	0.35	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-71.6	136.1	-175.2	21.7	0	0	0	0	112.7	A284 C288 M518 G519 D541	A284-S286 PolarHBondContact O-N 2.82Å; S286-C288 PolarHBondContact O-N 3.32Å; S286-M518 WeakPolarHBondContact O-CA 3.36Å; S286-G519 PolarHBondContact O-N 3.41Å; S286-D541 PolarHBondContact OG-OD2 3.19Å
287	V	91.3	Very high	91	Very high	99 Å²	99	70 Å²	70	60%	0.6	38%	0.378	S	S	*	.	B	Isolated β-bridge	trans	-79.9	114.6	164.9	-178.4	0	0	0	0	108.1	M518	V287-M518 HydrophobicContact CG2-CG 4.34Å
288	C	90.1	Very high	90.9	Very high	42 Å²	42	65.4 Å²	65.4	28%	0.284	36%	0.356	S	S	.	.			trans	-100.3	-27.7	-177	59	0	0	0	0	112.5	S286 S517 C568	S286-C288 PolarHBondContact O-N 3.32Å; C288-S517 PolarHBondContact N-O 2.98Å; C288-S517 PolarHBondContact SG-O 2.77Å; C288-C568 HydrophobicContact CB-CB 3.42Å; C288-C568 VanDerWaalsContact CB-CB 3.42Å; C288-C568 WeakPolarHBondContact CB-SG 3.41Å; C288-C568 WeakPolarHBondContact SG-CB 3.06Å; C288-C568 CovalentContact SG-SG 2.01Å; C288-C568 PolarHBondContact SG-SG 3.4Å
289	L	91.6	Very high	90.8	Very high	11 Å²	11	62.1 Å²	62.1	6%	0.058	34%	0.339	C	S	.	.	S	Bend	trans	-137	106.8	178	-179.6	72	0	0	0	110	L291 R515 S517 C568 S569 I669	L289-L291 PolarHBondContact O-N 2.88Å; L289-R515 HydrophobicContact CD2-CG 3.88Å; L289-S517 PolarHBondContact N-O 2.02Å; L289-S517 VanDerWaalsContact N-O 3.12Å; L289-S517 WeakPolarHBondContact O-CA 3.38Å; L289-S517 WeakPolarHBondContact O-CB 3.4Å; L289-S517 PolarHBondContact O-OG 3.11Å; L289-C568 HydrophobicContact CB-CB 4.36Å; L289-S569 VanDerWaalsContact CD2-O 3.3Å; L289-S569 WeakPolarHBondContact CD2-O 3.43Å; L289-I669 HydrophobicContact CD1-CG2 3.96Å; L289-I669 HydrophobicContact CD2-CD1 4.29Å; L289-I669 HydrophobicContact CD2-CG1 4.4Å; L289-I669 HydrophobicContact CG-CG2 4.45Å
290	P	92.8	Very high	90.7	Very high	69 Å²	69	56.8 Å²	56.8	45%	0.448	31%	0.314	S	S	.	.			trans	-71.8	129.9	-178.1	28.7	-33.7	0	0	0	111.6	W670	P290-W670 HydrophobicContact CB-CB 4.12Å; P290-W670 HydrophobicContact CG-CB 4.31Å; P290-W670 WeakPolarHBondContact O-CB 3.26Å; P290-W670 PolarHBondContact O-N 2.9Å
291	L	93	Very high	90.6	Very high	17 Å²	17	53.4 Å²	53.4	9%	0.089	30%	0.299	C	S	.	.	B	Isolated β-bridge	trans	-98	151.6	177.1	-62.8	172.4	0	0	0	110.9	L289 L293 Y484 P667	L289-L291 PolarHBondContact O-N 2.88Å; L291-L293 HydrophobicContact CB-CD2 4.21Å; L291-L293 HydrophobicContact CB-CG 4.39Å; L291-L293 PolarHBondContact O-N 2.82Å; L291-Y484 HydrophobicContact CD1-CD2 4.34Å; L291-Y484 HydrophobicContact CD1-CE2 3.54Å; L291-P667 HydrophobicContact CB-CB 4.24Å; L291-P667 HydrophobicContact CB-CG 4.14Å; L291-P667 HydrophobicContact CD1-CG 3.86Å; L291-P667 HydrophobicContact CG-CG 4.39Å
292	N	92.7	Very high	90.2	Very high	24 Å²	24	51 Å²	51	13%	0.128	28%	0.282	C	S	.	.			trans	-83.1	100.3	171.3	-172.8	-15.9	0	0	0	110.3	D294 P667 S668 W670	N292-D294 WeakPolarHBondContact OD1-CB 3.41Å; N292-D294 PolarHBondContact OD1-N 2.88Å; N292-D294 PolarHBondContact OD1-OD2 3.14Å; N292-P667 VanDerWaalsContact O-CB 3.29Å; N292-P667 WeakPolarHBondContact O-CB 3.33Å; N292-S668 WeakPolarHBondContact CB-O 3.5Å; N292-S668 PolarHBondContact N-O 2.88Å; N292-W670 HydrophobicContact CB-CE3 3.93Å
293	L	92.1	Very high	89.4	Confident	90 Å²	90	50.1 Å²	50.1	47%	0.471	28%	0.277	S	S	.	.			trans	-99.1	16	178.6	-56.5	-179.4	0	0	0	112.8	L291 T295 L476 Y484 P667	L291-L293 HydrophobicContact CB-CD2 4.21Å; L291-L293 HydrophobicContact CB-CG 4.39Å; L291-L293 PolarHBondContact O-N 2.82Å; L293-T295 PolarHBondContact O-N 2.53Å; L293-L476 HydrophobicContact CB-CD2 4.34Å; L293-L476 HydrophobicContact CD2-CD2 4.22Å; L293-Y484 HydrophobicContact CD2-CE1 4.13Å; L293-P667 HydrophobicContact CD2-CB 3.9Å; L293-P667 HydrophobicContact CD2-CG 3.85Å
294	D	91.6	Very high	88.1	Confident	76 Å²	76	48 Å²	48	41%	0.406	27%	0.267	S	S	.	.			trans	-60.4	132.1	-179.9	-69.1	-20.6	0	0	0	110.7	N292 L476 V477 W670	N292-D294 WeakPolarHBondContact OD1-CB 3.41Å; N292-D294 PolarHBondContact OD1-N 2.88Å; N292-D294 PolarHBondContact OD1-OD2 3.14Å; D294-L476 CarbonylContact O-C 3.59Å; D294-L476 WeakPolarHBondContact O-CA 3.39Å; D294-V477 HydrophobicContact CB-CG2 4.18Å; D294-V477 WeakPolarHBondContact O-CG2 3.41Å; D294-V477 PolarHBondContact O-N 3.2Å; D294-W670 WeakPolarHBondContact OD1-CZ3 3.2Å; D294-W670 WeakPolarHBondContact OD2-CZ3 3.42Å
295	T	89.8	Confident	86.5	Confident	68 Å²	68	49 Å²	49	42%	0.417	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	161	174.3	62.1	0	0	0	0	110.6	L293 H474 C475 L476	L293-T295 PolarHBondContact O-N 2.53Å; T295-H474 HydrophobicContact CG2-CB 4.23Å; T295-C475 WeakPolarHBondContact CA-O 3.41Å; T295-L476 HydrophobicContact CG2-CD2 4.27Å
296	K	87	Confident	84.6	Confident	116 Å²	116	51.8 Å²	51.8	50%	0.504	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	138.4	174.6	-70.9	-177.2	-179.6	-171	0	109.8	E298 L299 V477	K296-E298 PolarHBondContact O-N 2.57Å; K296-L299 HydrophobicContact CB-CD1 4.04Å; K296-L299 HydrophobicContact CB-CG 4.02Å; K296-L299 WeakPolarHBondContact O-CB 3.42Å; K296-L299 PolarHBondContact O-N 3.07Å; K296-V477 HydrophobicContact CD-CG2 4Å; K296-V477 HydrophobicContact CG-CG2 3.74Å
297	Y	82.6	Confident	82.6	Confident	93 Å²	93	51.8 Å²	51.8	37%	0.365	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	-12.8	-179.7	69	-98.8	0	0	0	114.4	L299 I467 Q468	Y297-L299 VanDerWaalsContact C-N 3.32Å; Y297-I467 WeakPolarHBondContact O-CG2 3.34Å; Y297-Q468 HydrophobicContact CD2-CG 3.42Å; Y297-Q468 VanDerWaalsContact CD2-CG 3.42Å; Y297-Q468 VanDerWaalsContact CD2-NE2 3.31Å; Y297-Q468 HydrophobicContact CE2-CG 4.22Å; Y297-Q468 HydrophobicContact CG-CG 3.69Å
298	E	85.2	Confident	80.9	Confident	89 Å²	89	49 Å²	49	42%	0.416	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	-6.9	177.1	-58.4	-178.9	161.6	0	0	112.7	K296 R451 K464	K296-E298 PolarHBondContact O-N 2.57Å; E298-R451 WeakPolarHBondContact O-CB 3.47Å; E298-K464 IonicContact OE1-NZ 2.95Å
299	L	89.1	Confident	79.4	Confident	13 Å²	13	48.7 Å²	48.7	7%	0.068	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	102.7	-175.9	-57.9	-177.3	0	0	0	109.5	K296 Y297 W383 R451 H474 C475 V477	K296-L299 HydrophobicContact CB-CD1 4.04Å; K296-L299 HydrophobicContact CB-CG 4.02Å; K296-L299 WeakPolarHBondContact O-CB 3.42Å; K296-L299 PolarHBondContact O-N 3.07Å; Y297-L299 VanDerWaalsContact C-N 3.32Å; L299-W383 HydrophobicContact CD2-CH2 3.85Å; L299-W383 HydrophobicContact CD2-CZ2 3.75Å; L299-R451 HydrophobicContact CD2-CB 3.86Å; L299-R451 HydrophobicContact CD2-CG 4.38Å; L299-H474 VanDerWaalsContact O-CA 3.3Å; L299-H474 WeakPolarHBondContact O-CA 3.01Å; L299-C475 HydrophobicContact CB-CB 3.98Å; L299-C475 PolarHBondContact O-N 3.16Å; L299-C475 VanDerWaalsContact O-N 3.08Å; L299-V477 HydrophobicContact CD1-CG2 4.26Å
300	L	87.7	Confident	78.1	Confident	4 Å²	4	48.8 Å²	48.8	2%	0.021	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	120.5	178.4	178.8	61.5	0	0	0	110.9	L302 V310 C449 I450 W453 I467 K473 C475	L300-L302 HydrophobicContact CD2-CD2 4.33Å; L300-L302 HydrophobicContact CG-CD2 4.29Å; L300-V310 HydrophobicContact CD1-CG1 4.3Å; L300-C449 WeakPolarHBondContact O-CA 3.39Å; L300-I450 PolarHBondContact N-O 3.44Å; L300-I450 PolarHBondContact O-N 2.68Å; L300-W453 HydrophobicContact CB-CZ3 4.3Å; L300-I467 HydrophobicContact CB-CD1 4.05Å; L300-I467 HydrophobicContact CD1-CD1 4.06Å; L300-I467 HydrophobicContact CD1-CG1 4.08Å; L300-I467 HydrophobicContact CD2-CD1 4.26Å; L300-I467 HydrophobicContact CG-CD1 4.35Å; L300-K473 HydrophobicContact CD1-CB 4.2Å; L300-C475 PolarHBondContact O-SG 2.95Å
301	Y	89.2	Confident	77.4	Confident	12 Å²	12	46.5 Å²	46.5	5%	0.047	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	128.9	173.8	-167.9	-131.2	0	0	0	111.1	A303 D447 G448 K473 C475	Y301-A303 HydrophobicContact CD1-CB 4.38Å; Y301-A303 WeakPolarHBondContact CD1-O 3.34Å; Y301-A303 HydrophobicContact CE1-CB 3.58Å; Y301-A303 WeakPolarHBondContact CE1-O 2.89Å; Y301-A303 HydrophobicContact CE2-CB 3.99Å; Y301-A303 VanDerWaalsContact OH-CB 3.24Å; Y301-A303 WeakPolarHBondContact OH-CB 3.38Å; Y301-D447 WeakPolarHBondContact CE2-OD1 3.35Å; Y301-D447 VanDerWaalsContact CZ-OD1 3.28Å; Y301-D447 PolarHBondContact OH-OD1 3.16Å; Y301-G448 WeakPolarHBondContact CD2-O 3.48Å; Y301-K473 WeakPolarHBondContact CB-O 3.4Å; Y301-K473 PolarHBondContact N-O 3.46Å; Y301-C475 WeakPolarHBondContact CA-SG 3.43Å; Y301-C475 HydrophobicContact CD2-CB 4.44Å; Y301-C475 PolarHBondContact N-SG 3.44Å; Y301-C475 VanDerWaalsContact N-SG 3.36Å
302	L	86.6	Confident	76.9	Confident	3 Å²	3	50.5 Å²	50.5	2%	0.016	26%	0.262	C	S	.	.			trans	-93.1	-19	-175.3	-59.4	-170.4	0	0	0	113.5	L300 E304 V310 F329 A428 L446 G448 I450	L300-L302 HydrophobicContact CD2-CD2 4.33Å; L300-L302 HydrophobicContact CG-CD2 4.29Å; L302-E304 PolarHBondContact O-N 2.92Å; L302-V310 VanDerWaalsContact O-CG2 3.31Å; L302-V310 WeakPolarHBondContact O-CG2 3.42Å; L302-F329 HydrophobicContact CD1-CD2 4.19Å; L302-F329 HydrophobicContact CD1-CE2 3.72Å; L302-A428 HydrophobicContact CB-CB 3.65Å; L302-A428 HydrophobicContact CD2-CB 4.06Å; L302-A428 HydrophobicContact CG-CB 4.29Å; L302-A428 WeakPolarHBondContact O-CB 3.4Å; L302-L446 CarbonylContact C-O 3.51Å; L302-L446 VanDerWaalsContact C-O 3.22Å; L302-L446 WeakPolarHBondContact CB-O 3.28Å; L302-L446 HydrophobicContact CD1-CD2 3.62Å; L302-L446 HydrophobicContact CD1-CG 4.27Å; L302-G448 WeakPolarHBondContact CB-O 3.47Å; L302-G448 PolarHBondContact N-O 3.42Å; L302-I450 HydrophobicContact CD1-CD1 3.67Å; L302-I450 HydrophobicContact CD1-CG1 3.75Å; L302-I450 HydrophobicContact CD2-CB 4.33Å; L302-I450 HydrophobicContact CD2-CD1 3.58Å; L302-I450 HydrophobicContact CD2-CG1 3.83Å; L302-I450 HydrophobicContact CG-CD1 4.13Å; L302-I450 HydrophobicContact CG-CG1 4.06Å
303	A	76.3	Confident	76.7	Confident	14 Å²	14	50.4 Å²	50.4	12%	0.116	26%	0.262	C	S	.	.			trans	-86.8	100.7	178.7	0	0	0	0	0	109.6	Y301 L446 D447	Y301-A303 HydrophobicContact CD1-CB 4.38Å; Y301-A303 WeakPolarHBondContact CD1-O 3.34Å; Y301-A303 HydrophobicContact CE1-CB 3.58Å; Y301-A303 WeakPolarHBondContact CE1-O 2.89Å; Y301-A303 HydrophobicContact CE2-CB 3.99Å; Y301-A303 VanDerWaalsContact OH-CB 3.24Å; Y301-A303 WeakPolarHBondContact OH-CB 3.38Å; A303-L446 WeakPolarHBondContact CA-O 3.27Å; A303-L446 WeakPolarHBondContact CB-O 3.46Å; A303-L446 PolarHBondContact N-O 2.91Å; A303-D447 HydrophobicContact CB-CB 4.25Å
304	E	67.5	Low	76.6	Confident	37 Å²	37	51.4 Å²	51.4	17%	0.173	26%	0.262	C	S	.	.			trans	-153.4	134.1	157.5	-133.7	-176.2	-168.2	0	0	110.8	L302 V310 N472 K473 N659	L302-E304 PolarHBondContact O-N 2.92Å; E304-V310 HydrophobicContact CB-CG2 4.44Å; E304-N472 PolarHBondContact OE1-ND2 3.25Å; E304-N472 PolarHBondContact OE2-ND2 3.11Å; E304-K473 WeakPolarHBondContact OE2-CD 3.44Å; E304-K473 WeakPolarHBondContact OE2-CE 2.94Å; E304-K473 IonicContact OE2-NZ 3.98Å; E304-K473 PolarHBondContact OE2-NZ 2.86Å; E304-N659 HydrophobicContact CG-CB 4.38Å
305	Q	58.5	Low	76.4	Confident	90 Å²	90	49 Å²	49	42%	0.421	25%	0.248	S	C	.	.			trans	92.4	125.4	169.2	-52.9	-177.9	-22.5	0	0	118.7	A307 G308	Q305-A307 PolarHBondContact O-N 2.96Å; Q305-A307 VanDerWaalsContact O-N 3.09Å; Q305-A307 PolarHBondContact OE1-O 3.2Å; Q305-G308 VanDerWaalsContact OE1-CA 3.29Å
306	F	51.9	Low	76.5	Confident	70 Å²	70	53.8 Å²	53.8	31%	0.307	26%	0.259	S	S	.	.	S	Bend	trans	-61.6	-0.4	153.1	-81.1	-102	0	0	0	113	R445 A654 I655 S656 K657	F306-R445 VanDerWaalsContact CE1-CZ 3.49Å; F306-A654 WeakPolarHBondContact CE1-O 3.38Å; F306-I655 VanDerWaalsContact CE1-O 3.29Å; F306-I655 WeakPolarHBondContact CE1-O 3.34Å; F306-S656 VanDerWaalsContact CE1-CA 3.48Å; F306-S656 VanDerWaalsContact CZ-C 3.46Å; F306-K657 WeakPolarHBondContact CD2-O 3.48Å; F306-K657 HydrophobicContact CE2-CB 3.48Å; F306-K657 VanDerWaalsContact CE2-CB 3.48Å; F306-K657 HydrophobicContact CE2-CG 4.48Å; F306-K657 WeakPolarHBondContact CE2-O 3.46Å; F306-K657 HydrophobicContact CZ-CB 3.42Å; F306-K657 VanDerWaalsContact CZ-CB 3.42Å
307	A	47.4	Very low	76.7	Confident	51 Å²	51	48.9 Å²	48.9	42%	0.421	24%	0.238	S	C	.	.	S	Bend	trans	-165.6	72.5	-167.5	0	0	0	0	0	114.3	Q305	Q305-A307 PolarHBondContact O-N 2.96Å; Q305-A307 VanDerWaalsContact O-N 3.09Å; Q305-A307 PolarHBondContact OE1-O 3.2Å
308	G	55.2	Low	77.1	Confident	39 Å²	39	48 Å²	48	40%	0.402	24%	0.244	S	C	.	.	S	Bend	trans	152.6	-170.7	165	0	0	0	0	0	116.1	Q305	Q305-G308 VanDerWaalsContact OE1-CA 3.29Å
309	V	59.7	Low	77.2	Confident	37 Å²	37	49.3 Å²	49.3	22%	0.224	25%	0.25	C	C	.	.			trans	-107.8	137.4	177.3	-175.9	0	0	0	0	109.1	L311 Y426 F427	V309-L311 WeakPolarHBondContact CG1-O 3.42Å; V309-Y426 HydrophobicContact CB-CD1 3.97Å; V309-Y426 HydrophobicContact CG1-CD1 3.73Å; V309-Y426 HydrophobicContact CG1-CG 4.12Å; V309-Y426 HydrophobicContact CG2-CD1 3.63Å; V309-Y426 HydrophobicContact CG2-CE1 4.37Å; V309-Y426 HydrophobicContact CG2-CG 4.3Å; V309-F427 WeakPolarHBondContact CG1-O 3.23Å
310	V	65.3	Low	77.1	Confident	13 Å²	13	56 Å²	56	8%	0.079	28%	0.284	C	S	.	.	S	Bend	trans	-64.4	-46.1	-178	169.6	0	0	0	0	113.1	L300 L302 E304 F427 A428 K473	L300-V310 HydrophobicContact CD1-CG1 4.3Å; L302-V310 VanDerWaalsContact O-CG2 3.31Å; L302-V310 WeakPolarHBondContact O-CG2 3.42Å; E304-V310 HydrophobicContact CB-CG2 4.44Å; V310-F427 PolarHBondContact N-O 3.41Å; V310-A428 HydrophobicContact CB-CB 4.08Å; V310-A428 HydrophobicContact CG2-CB 3.67Å; V310-K473 HydrophobicContact CG1-CD 4.3Å
311	L	77.2	Confident	77.2	Confident	21 Å²	21	57.4 Å²	57.4	11%	0.11	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	137.8	179	-176.2	73.1	0	0	0	108.9	V309 L313 Y426 F427 I463 I466	V309-L311 WeakPolarHBondContact CG1-O 3.42Å; L311-L313 HydrophobicContact CD2-CD1 4.22Å; L311-L313 HydrophobicContact CD2-CD2 4.25Å; L311-L313 HydrophobicContact CD2-CG 4.22Å; L311-L313 HydrophobicContact CG-CD2 4.28Å; L311-L313 HydrophobicContact CG-CG 4.3Å; L311-Y426 WeakPolarHBondContact O-CA 3.17Å; L311-F427 HydrophobicContact CB-CB 4.2Å; L311-F427 HydrophobicContact CB-CD2 4.13Å; L311-F427 HydrophobicContact CD2-CD2 3.89Å; L311-F427 HydrophobicContact CD2-CE2 4.11Å; L311-F427 HydrophobicContact CG-CD2 4.35Å; L311-F427 PolarHBondContact O-N 2.8Å; L311-I463 HydrophobicContact CD2-CG2 3.78Å; L311-I466 HydrophobicContact CD1-CG2 4Å
312	Y	83.4	Confident	77.3	Confident	100 Å²	100	62.3 Å²	62.3	39%	0.392	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	131.9	175.2	161.5	-100.7	0	0	0	109.6	K314 K424 V425 Y426	Y312-K314 HydrophobicContact CE1-CB 4.37Å; Y312-K424 HydrophobicContact CE2-CB 3.68Å; Y312-K424 HydrophobicContact CE2-CD 3.86Å; Y312-K424 HydrophobicContact CE2-CG 3.63Å; Y312-K424 WeakPolarHBondContact OH-CG 3.4Å; Y312-V425 CarbonylContact C-O 3.54Å; Y312-V425 WeakPolarHBondContact CA-O 3.45Å; Y312-Y426 AromaticContact CD2-CD1 3.6Å; Y312-Y426 HydrophobicContact CD2-CD1 3.6Å; Y312-Y426 HydrophobicContact CD2-CD2 4.36Å; Y312-Y426 AromaticContact CD2-CE1 3.17Å; Y312-Y426 HydrophobicContact CD2-CE1 3.17Å; Y312-Y426 AromaticContact CD2-CE2 3.99Å; Y312-Y426 HydrophobicContact CD2-CE2 3.99Å; Y312-Y426 HydrophobicContact CD2-CG 4.21Å; Y312-Y426 AromaticContact CD2-CZ 3.39Å; Y312-Y426 AromaticContact CE2-CE1 3.78Å; Y312-Y426 HydrophobicContact CE2-CE1 3.78Å; Y312-Y426 HydrophobicContact CE2-CE2 4.06Å; Y312-Y426 AromaticContact CE2-CZ 3.5Å; Y312-Y426 VanDerWaalsContact CE2-CZ 3.5Å; Y312-Y426 WeakPolarHBondContact CE2-OH 3.42Å; Y312-Y426 HydrophobicContact CG-CD1 4.26Å; Y312-Y426 AromaticContact CG-CE1 3.95Å; Y312-Y426 HydrophobicContact CG-CE1 3.95Å
313	L	86.7	Confident	77.6	Confident	23 Å²	23	62.3 Å²	62.3	12%	0.12	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	134.5	178.8	-58.8	174	0	0	0	109.6	L311 F315 K424 V425 F427 L455 I463	L311-L313 HydrophobicContact CD2-CD1 4.22Å; L311-L313 HydrophobicContact CD2-CD2 4.25Å; L311-L313 HydrophobicContact CD2-CG 4.22Å; L311-L313 HydrophobicContact CG-CD2 4.28Å; L311-L313 HydrophobicContact CG-CG 4.3Å; L313-F315 HydrophobicContact CB-CD2 4.33Å; L313-F315 HydrophobicContact CB-CE2 3.62Å; L313-F315 HydrophobicContact CB-CZ 4.11Å; L313-F315 HydrophobicContact CD1-CE2 4.17Å; L313-F315 HydrophobicContact CD1-CZ 4Å; L313-K424 CarbonylContact O-C 3.59Å; L313-K424 WeakPolarHBondContact O-CA 3.3Å; L313-V425 PolarHBondContact N-O 3.02Å; L313-V425 PolarHBondContact O-N 3.49Å; L313-F427 HydrophobicContact CD1-CE2 3.94Å; L313-L455 HydrophobicContact CD1-CD1 3.82Å; L313-I463 HydrophobicContact CD1-CD1 3.38Å; L313-I463 HydrophobicContact CD1-CG1 3.77Å; L313-I463 HydrophobicContact CD2-CG1 4.03Å
314	K	89.9	Confident	78.4	Confident	110 Å²	110	62 Å²	62	48%	0.478	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	123.1	170.9	-177.4	176.1	170.6	168	0	108.7	Y312 E422	Y312-K314 HydrophobicContact CE1-CB 4.37Å; K314-E422 WeakPolarHBondContact CE-OE2 3.1Å; K314-E422 IonicContact NZ-OE2 2.88Å; K314-E422 PolarHBondContact NZ-OE2 3.35Å
315	F	89	Confident	79.7	Confident	27 Å²	27	60.3 Å²	60.3	12%	0.118	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	140.2	175.3	-65.6	-90.2	0	0	0	110	L313 L317 E422 T423 V425 L455 M456 Q458	L313-F315 HydrophobicContact CB-CD2 4.33Å; L313-F315 HydrophobicContact CB-CE2 3.62Å; L313-F315 HydrophobicContact CB-CZ 4.11Å; L313-F315 HydrophobicContact CD1-CE2 4.17Å; L313-F315 HydrophobicContact CD1-CZ 4Å; F315-L317 HydrophobicContact CB-CD1 4.13Å; F315-L317 HydrophobicContact CB-CG 4.28Å; F315-E422 WeakPolarHBondContact O-CA 3.13Å; F315-T423 HydrophobicContact CB-CG2 3.92Å; F315-T423 HydrophobicContact CD2-CG2 4.39Å; F315-T423 PolarHBondContact N-O 3.5Å; F315-T423 PolarHBondContact O-N 2.97Å; F315-T423 VanDerWaalsContact O-N 3.13Å; F315-V425 HydrophobicContact CD2-CG2 3.9Å; F315-V425 HydrophobicContact CE2-CB 4.05Å; F315-V425 HydrophobicContact CE2-CG2 3.74Å; F315-L455 HydrophobicContact CE1-CB 4.4Å; F315-L455 HydrophobicContact CE2-CD1 4.31Å; F315-L455 HydrophobicContact CZ-CB 3.79Å; F315-L455 HydrophobicContact CZ-CD1 4.04Å; F315-M456 HydrophobicContact CD1-CB 4.04Å; F315-M456 HydrophobicContact CD1-CG 3.95Å; F315-M456 HydrophobicContact CD2-CG 4.15Å; F315-M456 HydrophobicContact CE1-CB 4.19Å; F315-M456 HydrophobicContact CE1-CG 4.16Å; F315-M456 HydrophobicContact CE2-CG 4.34Å; F315-M456 HydrophobicContact CG-CB 4.5Å; F315-M456 HydrophobicContact CG-CG 3.95Å; F315-M456 HydrophobicContact CZ-CG 4.35Å; F315-Q458 HydrophobicContact CD1-CG 4.23Å; F315-Q458 HydrophobicContact CE1-CG 4.2Å
316	R	90.9	Very high	81.4	Confident	167 Å²	167	59.4 Å²	59.4	63%	0.63	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.5	105.1	172.3	-176.7	173.4	-166.4	-172.5	-0.5	107.9	L420 L421 E422	R316-L420 HydrophobicContact CG-CD1 4.05Å; R316-L421 WeakPolarHBondContact CA-O 3.3Å; R316-E422 HydrophobicContact CB-CG 4.37Å; R316-E422 WeakPolarHBondContact CD-OE1 3.29Å; R316-E422 HydrophobicContact CG-CG 4.05Å; R316-E422 IonicContact CZ-OE1 3.15Å; R316-E422 IonicContact NE-OE1 2.9Å; R316-E422 PolarHBondContact NE-OE1 2.72Å
317	L	90.6	Very high	83.3	Confident	13 Å²	13	56.1 Å²	56.1	7%	0.068	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	163.7	-165.8	-62.9	172.5	0	0	0	111.4	F315 L420 L421 M456 Q458	F315-L317 HydrophobicContact CB-CD1 4.13Å; F315-L317 HydrophobicContact CB-CG 4.28Å; L317-L420 WeakPolarHBondContact O-CA 3.2Å; L317-L420 WeakPolarHBondContact O-CD2 3.48Å; L317-L421 HydrophobicContact CB-CB 4.47Å; L317-L421 PolarHBondContact N-O 3.12Å; L317-L421 PolarHBondContact O-N 3.4Å; L317-M456 HydrophobicContact CD1-CB 3.59Å; L317-M456 HydrophobicContact CD1-CE 3.65Å; L317-M456 HydrophobicContact CD1-CG 4.09Å; L317-Q458 HydrophobicContact CD2-CG 4.1Å
318	P	90.8	Very high	85.6	Confident	75 Å²	75	54.6 Å²	54.6	49%	0.487	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.6	149.6	172.2	-23.5	34.4	0	0	0	112.3	I320 S321	P318-I320 HydrophobicContact CB-CG1 4.23Å; P318-I320 PolarHBondContact O-N 3.16Å; P318-I320 VanDerWaalsContact O-N 3.1Å; P318-S321 VanDerWaalsContact O-CB 3.23Å; P318-S321 WeakPolarHBondContact O-CB 3.5Å; P318-S321 PolarHBondContact O-N 2.79Å; P318-S321 PolarHBondContact O-OG 2.57Å
319	E	88	Confident	87.4	Confident	116 Å²	116	52.8 Å²	52.8	54%	0.542	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-28.7	-178.3	174.5	167	-161	0	0	114.6	S321 P416	E319-S321 PolarHBondContact O-N 2.98Å; E319-P416 HydrophobicContact CB-CB 4.21Å; E319-P416 HydrophobicContact CG-CB 3.7Å; E319-P416 HydrophobicContact CG-CG 3.73Å; E319-P416 VanDerWaalsContact OE1-CG 3.31Å; E319-P416 WeakPolarHBondContact OE1-CG 3.04Å
320	I	86.5	Confident	89.1	Confident	155 Å²	155	51.9 Å²	51.9	80%	0.795	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76	-6.8	178.9	60.9	164.5	0	0	0	113.9	P318	P318-I320 HydrophobicContact CB-CG1 4.23Å; P318-I320 PolarHBondContact O-N 3.16Å; P318-I320 VanDerWaalsContact O-N 3.1Å
321	S	90.9	Very high	90.6	Very high	33 Å²	33	51.5 Å²	51.5	23%	0.231	24%	0.239	C	C	.	.			trans	-67.1	144	-178.9	-68.7	0	0	0	0	111.3	P318 E319 L421	P318-S321 VanDerWaalsContact O-CB 3.23Å; P318-S321 WeakPolarHBondContact O-CB 3.5Å; P318-S321 PolarHBondContact O-N 2.79Å; P318-S321 PolarHBondContact O-OG 2.57Å; E319-S321 PolarHBondContact O-N 2.98Å; S321-L421 WeakPolarHBondContact O-CD2 3.46Å
322	R	91.4	Very high	91.5	Very high	115 Å²	115	52.8 Å²	52.8	43%	0.434	24%	0.243	S	C	.	.			trans	-120.6	153.5	176.7	-65.7	-172.5	-177.5	172.6	-2.1	109.6	S324 E390	R322-S324 PolarHBondContact O-N 3.04Å; R322-E390 HydrophobicContact CB-CB 4.12Å; R322-E390 HydrophobicContact CB-CG 4.46Å; R322-E390 VanDerWaalsContact CD-O 3.27Å; R322-E390 WeakPolarHBondContact CD-O 3.48Å
323	F	92.7	Very high	92	Very high	2 Å²	2	48 Å²	48	1%	0.009	22%	0.224	C	C	.	.			trans	-62.5	133.6	177.8	-176.6	-94.9	0	0	0	111.2	A325 L339 A341 L350 V388 E390 L413 F414 M456	F323-A325 HydrophobicContact CE1-CB 4.07Å; F323-A325 HydrophobicContact CZ-CB 4Å; F323-L339 HydrophobicContact CZ-CD2 3.92Å; F323-A341 HydrophobicContact CD2-CB 4.41Å; F323-A341 HydrophobicContact CE2-CB 3.7Å; F323-A341 HydrophobicContact CZ-CB 4.26Å; F323-L350 HydrophobicContact CD1-CD2 3.56Å; F323-L350 HydrophobicContact CE1-CD2 3.27Å; F323-L350 HydrophobicContact CE2-CD2 4.47Å; F323-L350 HydrophobicContact CG-CD2 4.29Å; F323-L350 HydrophobicContact CZ-CD2 3.77Å; F323-V388 HydrophobicContact CD1-CG1 4.35Å; F323-V388 HydrophobicContact CE1-CB 4.46Å; F323-V388 HydrophobicContact CE1-CG1 4.08Å; F323-E390 HydrophobicContact CB-CB 4.07Å; F323-E390 PolarHBondContact N-OE2 3.04Å; F323-E390 WeakPolarHBondContact O-CB 3.39Å; F323-E390 PolarHBondContact O-N 3.36Å; F323-L413 HydrophobicContact CB-CD2 3.93Å; F323-L413 HydrophobicContact CD1-CD2 4.43Å; F323-L413 HydrophobicContact CG-CD2 4.12Å; F323-F414 HydrophobicContact CB-CE2 4.29Å; F323-F414 AromaticContact CD2-CE2 3.75Å; F323-F414 HydrophobicContact CD2-CE2 3.75Å; F323-F414 HydrophobicContact CE2-CE2 4.48Å; F323-F414 HydrophobicContact CG-CE2 4.26Å; F323-M456 HydrophobicContact CB-SD 4.43Å; F323-M456 HydrophobicContact CD2-SD 3.61Å; F323-M456 HydrophobicContact CE2-SD 4.23Å; F323-M456 HydrophobicContact CG-SD 4.3Å
324	S	93.7	Very high	92.3	Very high	9 Å²	9	49.6 Å²	49.6	6%	0.063	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	129.8	179.3	168	0	0	0	0	108.6	R322 V388 M456	R322-S324 PolarHBondContact O-N 3.04Å; S324-V388 WeakPolarHBondContact CA-O 3.24Å; S324-M456 PolarHBondContact O-N 3.39Å
325	A	93.3	Very high	92.5	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	126	173.1	0	0	0	0	0	109.1	F323 F327 L339 S387 V388 L455	F323-A325 HydrophobicContact CE1-CB 4.07Å; F323-A325 HydrophobicContact CZ-CB 4Å; A325-F327 HydrophobicContact CB-CE1 4.38Å; A325-L339 HydrophobicContact CB-CD1 4.4Å; A325-S387 CarbonylContact O-C 3.59Å; A325-S387 VanDerWaalsContact O-CA 3.3Å; A325-S387 WeakPolarHBondContact O-CA 3.01Å; A325-V388 PolarHBondContact N-O 3.46Å; A325-V388 PolarHBondContact O-N 2.95Å; A325-L455 HydrophobicContact CB-CD2 3.56Å
326	E	94.1	Very high	92.6	Very high	72 Å²	72	45.7 Å²	45.7	34%	0.336	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	133.1	173.5	-179.1	-178.5	170.4	0	0	108.4	V386 W453 N454	E326-V386 WeakPolarHBondContact CA-O 3.12Å; E326-W453 CarbonylContact O-C 3.58Å; E326-W453 VanDerWaalsContact O-CA 3.25Å; E326-W453 WeakPolarHBondContact O-CA 3.38Å; E326-N454 HydrophobicContact CB-CB 4.41Å; E326-N454 PolarHBondContact N-O 2.87Å; E326-N454 PolarHBondContact O-N 3.46Å
327	F	92.8	Very high	92.7	Very high	1 Å²	1	37.8 Å²	37.8	0%	0.004	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.2	153.6	178.3	53.3	-94	0	0	0	112	A325 F329 I338 V386 I450 W453	A325-F327 HydrophobicContact CB-CE1 4.38Å; F327-F329 HydrophobicContact CD2-CB 3.92Å; F327-F329 HydrophobicContact CE2-CB 3.9Å; F327-F329 HydrophobicContact CE2-CG 4.5Å; F327-I338 HydrophobicContact CE2-CG2 3.68Å; F327-I338 HydrophobicContact CZ-CG2 3.59Å; F327-V386 HydrophobicContact CD2-CB 4.29Å; F327-V386 HydrophobicContact CE2-CB 3.81Å; F327-V386 HydrophobicContact CE2-CG1 4.25Å; F327-V386 HydrophobicContact CE2-CG2 4.26Å; F327-V386 HydrophobicContact CZ-CB 4.05Å; F327-V386 HydrophobicContact CZ-CG1 4Å; F327-V386 PolarHBondContact N-O 3.45Å; F327-V386 PolarHBondContact O-N 2.89Å; F327-I450 HydrophobicContact CB-CG2 3.73Å; F327-I450 HydrophobicContact CD2-CD1 4.25Å; F327-I450 HydrophobicContact CD2-CG1 4.39Å; F327-I450 HydrophobicContact CD2-CG2 4.24Å; F327-I450 HydrophobicContact CE2-CD1 4.47Å; F327-I450 HydrophobicContact CG-CG2 4.2Å; F327-W453 HydrophobicContact CB-CB 4.14Å
328	D	94.4	Very high	92.8	Very high	19 Å²	19	37.1 Å²	37.1	10%	0.102	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	130.3	167.3	-81.9	-5	0	0	0	108.7	W383 N384 I450 R451	D328-W383 HydrophobicContact CB-CE3 3.81Å; D328-W383 HydrophobicContact CB-CZ3 4.17Å; D328-W383 WeakPolarHBondContact O-CZ3 3.39Å; D328-N384 WeakPolarHBondContact CA-O 3.46Å; D328-I450 CarbonylContact O-C 3.57Å; D328-I450 VanDerWaalsContact O-CA 3.26Å; D328-I450 WeakPolarHBondContact O-CA 3.31Å; D328-R451 HydrophobicContact CB-CG 3.48Å; D328-R451 VanDerWaalsContact CB-CG 3.48Å; D328-R451 PolarHBondContact N-O 3.43Å; D328-R451 PolarHBondContact O-N 2.92Å; D328-R451 IonicContact OD2-CZ 2.79Å; D328-R451 IonicContact OD2-NE 3.88Å; D328-R451 PolarHBondContact OD2-NE 3.17Å; D328-R451 IonicContact OD2-NH2 3.91Å; D328-R451 PolarHBondContact OD2-NH2 2.85Å
329	F	94.9	Very high	92.9	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	142.3	-178.1	175.9	-114.1	0	0	0	111.9	L302 F327 T331 I338 I378 N384 V386 L446 C449 I450	L302-F329 HydrophobicContact CD1-CD2 4.19Å; L302-F329 HydrophobicContact CD1-CE2 3.72Å; F327-F329 HydrophobicContact CD2-CB 3.92Å; F327-F329 HydrophobicContact CE2-CB 3.9Å; F327-F329 HydrophobicContact CE2-CG 4.5Å; F329-T331 HydrophobicContact CE1-CG2 3.52Å; F329-T331 HydrophobicContact CE2-CG2 4.39Å; F329-T331 HydrophobicContact CZ-CG2 3.37Å; F329-I338 HydrophobicContact CD1-CD1 4.13Å; F329-I338 HydrophobicContact CE1-CD1 3.85Å; F329-I338 HydrophobicContact CE1-CG1 4.47Å; F329-I338 HydrophobicContact CE2-CD1 4.4Å; F329-I338 HydrophobicContact CE2-CG1 4.28Å; F329-I338 HydrophobicContact CZ-CD1 3.99Å; F329-I338 HydrophobicContact CZ-CG1 4.11Å; F329-I378 HydrophobicContact CD1-CD1 3.94Å; F329-I378 HydrophobicContact CE1-CD1 4.16Å; F329-N384 PolarHBondContact N-O 3.41Å; F329-N384 PolarHBondContact O-N 3.47Å; F329-V386 HydrophobicContact CB-CG2 4.43Å; F329-L446 HydrophobicContact CE2-CD2 3.94Å; F329-L446 HydrophobicContact CZ-CD1 4.28Å; F329-L446 HydrophobicContact CZ-CD2 3.92Å; F329-L446 HydrophobicContact CZ-CG 4.48Å; F329-C449 WeakPolarHBondContact CA-O 3.42Å; F329-I450 HydrophobicContact CD2-CG1 3.88Å
330	R	95.3	Very high	93.1	Very high	18 Å²	18	28.1 Å²	28.1	7%	0.068	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	148.3	167.1	67.5	171.4	178.4	-173	-3.6	111	L382 W383 G448 C449 L476 V477	R330-L382 WeakPolarHBondContact CB-O 3.28Å; R330-W383 HydrophobicContact CB-CD2 4.15Å; R330-W383 HydrophobicContact CB-CE3 4.05Å; R330-W383 HydrophobicContact CB-CZ3 4.45Å; R330-W383 HydrophobicContact CG-CD2 4Å; R330-W383 HydrophobicContact CG-CE3 3.94Å; R330-W383 HydrophobicContact CG-CH2 3.98Å; R330-W383 HydrophobicContact CG-CZ2 4.01Å; R330-W383 HydrophobicContact CG-CZ3 3.93Å; R330-W383 VanDerWaalsContact CZ-CZ2 3.49Å; R330-W383 VanDerWaalsContact NE-CZ2 3.29Å; R330-G448 WeakPolarHBondContact O-CA 3.02Å; R330-C449 HydrophobicContact CG-CB 3.86Å; R330-C449 PolarHBondContact N-O 3.23Å; R330-C449 PolarHBondContact O-N 2.78Å; R330-L476 PolarHBondContact NH2-O 2.84Å; R330-V477 PolarHBondContact NH1-O 3.36Å
331	T	95.6	Very high	93.5	Very high	6 Å²	6	20.8 Å²	20.8	4%	0.037	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.1	166.4	173.2	-173.9	0	0	0	0	110.4	F329 D333 L354 N379 G381 D447	F329-T331 HydrophobicContact CE1-CG2 3.52Å; F329-T331 HydrophobicContact CE2-CG2 4.39Å; F329-T331 HydrophobicContact CZ-CG2 3.37Å; T331-D333 WeakPolarHBondContact OG1-CB 3.21Å; T331-D333 PolarHBondContact OG1-N 2.9Å; T331-L354 HydrophobicContact CG2-CD2 3.66Å; T331-N379 HydrophobicContact CG2-CB 4.1Å; T331-N379 CarbonylContact O-C 3.55Å; T331-N379 VanDerWaalsContact O-CA 3.25Å; T331-N379 WeakPolarHBondContact O-CA 3.43Å; T331-G381 PolarHBondContact O-N 2.01Å; T331-D447 PolarHBondContact OG1-O 3.49Å
332	Y	95.9	Very high	93.5	Very high	47 Å²	47	19.3 Å²	19.3	18%	0.184	9%	0.091	C	C	.	.			trans	-107.6	-9.4	162.1	-71.9	-71.4	0	0	0	112.6	N379 N380 V479 K481 H664	Y332-N379 PolarHBondContact O-ND2 3.08Å; Y332-N380 VanDerWaalsContact CE1-C 3.44Å; Y332-N380 WeakPolarHBondContact CE1-O 3.46Å; Y332-V479 HydrophobicContact CE2-CG2 4.14Å; Y332-V479 PolarHBondContact OH-O 3.35Å; Y332-K481 HydrophobicContact CD1-CB 3.8Å; Y332-K481 HydrophobicContact CD1-CG 4.15Å; Y332-K481 HydrophobicContact CD2-CB 4.47Å; Y332-K481 HydrophobicContact CE1-CB 3.84Å; Y332-K481 HydrophobicContact CG-CB 4.12Å; Y332-K481 HydrophobicContact CG-CG 4.36Å; Y332-H664 WeakPolarHBondContact CB-O 3.47Å
333	D	94.4	Very high	93.5	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.071	C	C	.	.			trans	-61.5	143.8	178.4	-74.1	18.1	0	0	0	111	T331 L354 N379 L446 D447 H664	T331-D333 WeakPolarHBondContact OG1-CB 3.21Å; T331-D333 PolarHBondContact OG1-N 2.9Å; D333-L354 WeakPolarHBondContact O-CD2 3.4Å; D333-N379 WeakPolarHBondContact O-CB 3.38Å; D333-N379 PolarHBondContact O-ND2 2.86Å; D333-L446 HydrophobicContact CB-CD1 3.72Å; D333-L446 VanDerWaalsContact OD2-CA 3.24Å; D333-L446 WeakPolarHBondContact OD2-CA 3.21Å; D333-D447 WeakPolarHBondContact OD1-CB 3.4Å; D333-D447 PolarHBondContact OD2-N 3.1Å; D333-H664 WeakPolarHBondContact OD1-CB 3.32Å; D333-H664 IonicContact OD1-CE1 3.9Å; D333-H664 IonicContact OD1-CG 3.43Å; D333-H664 IonicContact OD1-ND1 2.87Å; D333-H664 PolarHBondContact OD1-ND1 3.39Å; D333-H664 IonicContact OD2-ND1 2.82Å
334	S	93.1	Very high	93.3	Very high	56 Å²	56	15.8 Å²	15.8	39%	0.392	8%	0.081	S	C	.	.	S	Bend	trans	-87.8	-19.2	173.7	72.2	0	0	0	0	112.5	R355 G356 G357	S334-R355 CarbonylContact O-C 3.57Å; S334-R355 WeakPolarHBondContact O-CA 3.28Å; S334-G356 PolarHBondContact O-N 3.26Å; S334-G357 PolarHBondContact O-N 3.04Å
335	Q	93.3	Very high	92.9	Very high	56 Å²	56	19.6 Å²	19.6	26%	0.262	10%	0.1	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	149.5	-175.6	-172.1	173	-82.6	0	0	110.5	L354 R355 I442	Q335-L354 VanDerWaalsContact CA-O 3.26Å; Q335-L354 WeakPolarHBondContact CA-O 3.15Å; Q335-R355 VanDerWaalsContact OE1-NH1 3.12Å; Q335-I442 HydrophobicContact CG-CD1 3.79Å; Q335-I442 HydrophobicContact CG-CG1 3.6Å
336	G	92.4	Very high	92.7	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	156.3	165.5	172.1	0	0	0	0	0	112.4	A353 L354 R445	G336-A353 CarbonylContact O-C 3.59Å; G336-A353 WeakPolarHBondContact O-CA 3.3Å; G336-A353 WeakPolarHBondContact O-CB 3.39Å; G336-L354 PolarHBondContact N-O 3.36Å; G336-L354 VanDerWaalsContact N-O 3.14Å; G336-L354 PolarHBondContact O-N 3.25Å; G336-R445 WeakPolarHBondContact CA-O 3.42Å
337	V	92.5	Very high	92.4	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	131.6	178.7	170.5	0	0	0	0	110	L351 A353 A428 F430 I442 P444 L446	V337-L351 HydrophobicContact CB-CD1 4.4Å; V337-L351 HydrophobicContact CG1-CD1 3.6Å; V337-L351 HydrophobicContact CG2-CD1 3.87Å; V337-A353 HydrophobicContact CG2-CB 4.28Å; V337-A428 WeakPolarHBondContact O-CA 2.82Å; V337-F430 HydrophobicContact CG1-CD1 4.38Å; V337-F430 HydrophobicContact CG2-CD1 3.97Å; V337-F430 HydrophobicContact CG2-CE1 3.77Å; V337-I442 HydrophobicContact CG2-CG2 3.79Å; V337-P444 HydrophobicContact CB-CB 4.28Å; V337-P444 HydrophobicContact CG2-CB 4.06Å; V337-P444 PolarHBondContact N-O 2.03Å; V337-P444 VanDerWaalsContact N-O 3.16Å; V337-L446 VanDerWaalsContact O-CD2 3.23Å; V337-L446 WeakPolarHBondContact O-CD2 3.22Å
338	I	92.4	Very high	92.4	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	-51.8	176.2	-58.5	173.5	0	0	0	109.1	F327 F329 I352 I359 A428 L446 I450	F327-I338 HydrophobicContact CE2-CG2 3.68Å; F327-I338 HydrophobicContact CZ-CG2 3.59Å; F329-I338 HydrophobicContact CD1-CD1 4.13Å; F329-I338 HydrophobicContact CE1-CD1 3.85Å; F329-I338 HydrophobicContact CE1-CG1 4.47Å; F329-I338 HydrophobicContact CE2-CD1 4.4Å; F329-I338 HydrophobicContact CE2-CG1 4.28Å; F329-I338 HydrophobicContact CZ-CD1 3.99Å; F329-I338 HydrophobicContact CZ-CG1 4.11Å; I338-I352 HydrophobicContact CB-CG2 4.47Å; I338-I352 WeakPolarHBondContact CB-O 3.48Å; I338-I352 HydrophobicContact CD1-CG2 4.46Å; I338-I352 PolarHBondContact N-O 3.3Å; I338-I359 HydrophobicContact CD1-CD1 3.76Å; I338-A428 PolarHBondContact O-N 2.9Å; I338-L446 HydrophobicContact CB-CD2 4.44Å; I338-L446 HydrophobicContact CG1-CD2 3.67Å; I338-I450 HydrophobicContact CG2-CD1 3.85Å
339	L	92.6	Very high	92.3	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	137	-174.3	-175.2	151.6	0	0	0	110.8	F323 A325 A341 I352 V425 Y426 F427 L455	F323-L339 HydrophobicContact CZ-CD2 3.92Å; A325-L339 HydrophobicContact CB-CD1 4.4Å; L339-A341 HydrophobicContact CD2-CB 4.11Å; L339-I352 HydrophobicContact CB-CB 4.41Å; L339-I352 HydrophobicContact CB-CD1 4.43Å; L339-I352 HydrophobicContact CD2-CD1 4.18Å; L339-I352 PolarHBondContact N-O 3.25Å; L339-I352 PolarHBondContact O-N 3.12Å; L339-V425 HydrophobicContact CD1-CG1 3.7Å; L339-V425 HydrophobicContact CD2-CG1 3.95Å; L339-V425 HydrophobicContact CG-CG1 3.72Å; L339-Y426 CarbonylContact C-O 3.34Å; L339-Y426 WeakPolarHBondContact CA-O 3.21Å; L339-F427 HydrophobicContact CD1-CE1 4.12Å; L339-F427 HydrophobicContact CD1-CZ 4.33Å; L339-L455 HydrophobicContact CD1-CD2 3.9Å
340	Y	93.7	Very high	92.3	Very high	2 Å²	2	21.9 Å²	21.9	1%	0.008	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	128.9	169.9	175.2	-101.1	0	0	0	109.6	E342 W349 L350 L351 V425 Y426 F430 V434	Y340-E342 HydrophobicContact CE1-CB 3.81Å; Y340-E342 HydrophobicContact CE1-CG 4.03Å; Y340-E342 PolarHBondContact OH-OE2 2.97Å; Y340-W349 HydrophobicContact CE2-CB 3.74Å; Y340-W349 HydrophobicContact CE2-CD2 4.11Å; Y340-W349 HydrophobicContact CE2-CE3 4.01Å; Y340-W349 HydrophobicContact CE2-CG 4.03Å; Y340-W349 VanDerWaalsContact OH-CB 3.29Å; Y340-W349 WeakPolarHBondContact OH-CB 3.26Å; Y340-L350 CarbonylContact C-O 3.45Å; Y340-L350 WeakPolarHBondContact CA-O 3.35Å; Y340-L351 HydrophobicContact CD2-CB 4.18Å; Y340-L351 HydrophobicContact CD2-CD1 3.93Å; Y340-L351 HydrophobicContact CG-CD1 4.43Å; Y340-V425 CarbonylContact O-C 3.46Å; Y340-V425 WeakPolarHBondContact O-CA 3.43Å; Y340-Y426 AromaticContact CD1-CD2 3.69Å; Y340-Y426 HydrophobicContact CD1-CD2 3.69Å; Y340-Y426 HydrophobicContact CD1-CE2 4.36Å; Y340-Y426 HydrophobicContact CD1-CG 4.37Å; Y340-Y426 HydrophobicContact CE1-CD2 4.27Å; Y340-Y426 PolarHBondContact N-O 3.19Å; Y340-Y426 PolarHBondContact O-N 2.94Å; Y340-F430 HydrophobicContact CD1-CB 3.66Å; Y340-F430 HydrophobicContact CD2-CB 4.13Å; Y340-F430 HydrophobicContact CE1-CB 4.26Å; Y340-F430 HydrophobicContact CG-CB 3.6Å; Y340-V434 HydrophobicContact CE1-CG1 4.32Å; Y340-V434 HydrophobicContact CE1-CG2 4.16Å; Y340-V434 HydrophobicContact CE2-CG1 3.73Å; Y340-V434 WeakPolarHBondContact OH-CG1 3.06Å
341	A	93.5	Very high	92.3	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	135.7	177.6	0	0	0	0	0	110.3	F323 L339 W349 L350 F414 K424 V425	F323-A341 HydrophobicContact CD2-CB 4.41Å; F323-A341 HydrophobicContact CE2-CB 3.7Å; F323-A341 HydrophobicContact CZ-CB 4.26Å; L339-A341 HydrophobicContact CD2-CB 4.11Å; A341-W349 CarbonylContact O-C 3.59Å; A341-W349 WeakPolarHBondContact O-CA 3.34Å; A341-W349 WeakPolarHBondContact O-CB 3.35Å; A341-L350 PolarHBondContact N-O 2.86Å; A341-L350 PolarHBondContact O-N 2.88Å; A341-F414 HydrophobicContact CB-CE2 4.22Å; A341-F414 HydrophobicContact CB-CZ 3.74Å; A341-K424 CarbonylContact C-O 3.57Å; A341-K424 WeakPolarHBondContact CA-O 3.35Å; A341-V425 HydrophobicContact CB-CG2 4.12Å
342	E	92.6	Very high	92.3	Very high	2 Å²	2	20.8 Å²	20.8	1%	0.009	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	155.6	178.7	65.9	177.2	-175.4	0	0	112	Y340 H346 A348 W349 T423 K424 Y426	Y340-E342 HydrophobicContact CE1-CB 3.81Å; Y340-E342 HydrophobicContact CE1-CG 4.03Å; Y340-E342 PolarHBondContact OH-OE2 2.97Å; E342-H346 VanDerWaalsContact CD-ND1 3.28Å; E342-H346 IonicContact OE1-CE1 2.75Å; E342-H346 PolarHBondContact OE1-CE1 2.95Å; E342-H346 IonicContact OE1-ND1 3.73Å; E342-H346 PolarHBondContact OE1-ND1 2.89Å; E342-H346 IonicContact OE2-CE1 3.15Å; E342-H346 PolarHBondContact OE2-CE1 2.71Å; E342-H346 IonicContact OE2-ND1 3.61Å; E342-H346 PolarHBondContact OE2-ND1 3.01Å; E342-A348 WeakPolarHBondContact CA-O 3.48Å; E342-W349 HydrophobicContact CB-CB 4.15Å; E342-T423 WeakPolarHBondContact O-CA 3.32Å; E342-T423 PolarHBondContact O-OG1 3.03Å; E342-K424 HydrophobicContact CG-CB 3.76Å; E342-K424 HydrophobicContact CG-CD 4.19Å; E342-K424 PolarHBondContact N-O 3.47Å; E342-K424 PolarHBondContact O-N 2.84Å; E342-K424 WeakPolarHBondContact OE1-CD 3.36Å; E342-K424 IonicContact OE1-NZ 3.48Å; E342-Y426 HydrophobicContact CG-CE2 3.95Å; E342-Y426 WeakPolarHBondContact OE1-CE2 3.11Å; E342-Y426 PolarHBondContact OE1-OH 2.85Å
343	S	91.2	Very high	92.3	Very high	3 Å²	3	18.5 Å²	18.5	2%	0.021	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	159.5	165.3	61.2	0	0	0	0	110.9	D345 H346 S347 A348	S343-D345 VanDerWaalsContact C-N 3.33Å; S343-D345 WeakPolarHBondContact CB-OD1 3.13Å; S343-D345 PolarHBondContact O-N 2.96Å; S343-D345 PolarHBondContact OG-OD1 3.33Å; S343-H346 PolarHBondContact O-N 3.47Å; S343-H346 VanDerWaalsContact O-N 3.16Å; S343-S347 PolarHBondContact OG-N 2.76Å; S343-A348 PolarHBondContact N-O 2.99Å; S343-A348 PolarHBondContact OG-N 3.37Å; S343-A348 PolarHBondContact OG-O 2.83Å
344	I	87.5	Confident	92.3	Very high	41 Å²	41	18.5 Å²	18.5	21%	0.21	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-35.3	-179	-83.6	-173.1	0	0	0	113.8	H346 E422	I344-H346 PolarHBondContact O-CD2 2.63Å; I344-H346 PolarHBondContact O-N 2.83Å; I344-E422 HydrophobicContact CD1-CB 3.3Å; I344-E422 HydrophobicContact CD1-CG 4.11Å; I344-E422 WeakPolarHBondContact CD1-OE2 3.4Å; I344-E422 HydrophobicContact CG1-CB 4Å
345	D	86.5	Confident	92.4	Very high	88 Å²	88	17.9 Å²	17.9	47%	0.471	9%	0.09	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	0.3	176.4	67.3	-16.2	0	0	0	113	S343 S347	S343-D345 VanDerWaalsContact C-N 3.33Å; S343-D345 WeakPolarHBondContact CB-OD1 3.13Å; S343-D345 PolarHBondContact O-N 2.96Å; S343-D345 PolarHBondContact OG-OD1 3.33Å; D345-S347 PolarHBondContact O-N 2.94Å; D345-S347 VanDerWaalsContact O-N 3.11Å; D345-S347 PolarHBondContact OD1-N 3.41Å; D345-S347 PolarHBondContact OD1-OG 2.82Å; D345-S347 VanDerWaalsContact OD2-CB 3.26Å; D345-S347 WeakPolarHBondContact OD2-CB 2.99Å; D345-S347 PolarHBondContact OD2-OG 3.44Å
346	H	87.5	Confident	92.4	Very high	98 Å²	98	17.8 Å²	17.8	45%	0.454	10%	0.104	S	C	.	.	S	Bend	trans	59.4	14.5	-177.5	-54.5	-80.1	0	0	0	114.4	E342 S343 I344	E342-H346 VanDerWaalsContact CD-ND1 3.28Å; E342-H346 IonicContact OE1-CE1 2.75Å; E342-H346 PolarHBondContact OE1-CE1 2.95Å; E342-H346 IonicContact OE1-ND1 3.73Å; E342-H346 PolarHBondContact OE1-ND1 2.89Å; E342-H346 IonicContact OE2-CE1 3.15Å; E342-H346 PolarHBondContact OE2-CE1 2.71Å; E342-H346 IonicContact OE2-ND1 3.61Å; E342-H346 PolarHBondContact OE2-ND1 3.01Å; S343-H346 PolarHBondContact O-N 3.47Å; S343-H346 VanDerWaalsContact O-N 3.16Å; I344-H346 PolarHBondContact O-CD2 2.63Å; I344-H346 PolarHBondContact O-N 2.83Å
347	S	88.4	Confident	92.5	Very high	38 Å²	38	17.8 Å²	17.8	27%	0.266	10%	0.104	S	C	.	.	S	Bend	trans	-76.4	-26.2	-179.3	68	0	0	0	0	113.4	S343 D345	S343-S347 PolarHBondContact OG-N 2.76Å; D345-S347 PolarHBondContact O-N 2.94Å; D345-S347 VanDerWaalsContact O-N 3.11Å; D345-S347 PolarHBondContact OD1-N 3.41Å; D345-S347 PolarHBondContact OD1-OG 2.82Å; D345-S347 VanDerWaalsContact OD2-CB 3.26Å; D345-S347 WeakPolarHBondContact OD2-CB 2.99Å; D345-S347 PolarHBondContact OD2-OG 3.44Å
348	A	92.1	Very high	92.6	Very high	4 Å²	4	21.7 Å²	21.7	3%	0.033	12%	0.121	C	C	.	.			trans	-136.3	143.8	-179.2	0	0	0	0	0	112.4	E342 S343 K364 N365 L413 F414	E342-A348 WeakPolarHBondContact CA-O 3.48Å; S343-A348 PolarHBondContact N-O 2.99Å; S343-A348 PolarHBondContact OG-N 3.37Å; S343-A348 PolarHBondContact OG-O 2.83Å; A348-K364 CarbonylContact C-O 3.42Å; A348-K364 WeakPolarHBondContact CA-O 3.33Å; A348-K364 WeakPolarHBondContact CB-O 3.27Å; A348-N365 HydrophobicContact CB-CB 4.16Å; A348-L413 WeakPolarHBondContact CB-O 3.17Å; A348-F414 HydrophobicContact CB-CD1 4.18Å
349	W	93.9	Very high	92.7	Very high	1 Å²	1	21.7 Å²	21.7	0%	0.004	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	158.8	-179.1	58	-105.9	0	0	0	113.2	Y340 A341 E342 L351 Q362 L363 K364 E437 L438 I439	Y340-W349 HydrophobicContact CE2-CB 3.74Å; Y340-W349 HydrophobicContact CE2-CD2 4.11Å; Y340-W349 HydrophobicContact CE2-CE3 4.01Å; Y340-W349 HydrophobicContact CE2-CG 4.03Å; Y340-W349 VanDerWaalsContact OH-CB 3.29Å; Y340-W349 WeakPolarHBondContact OH-CB 3.26Å; A341-W349 CarbonylContact O-C 3.59Å; A341-W349 WeakPolarHBondContact O-CA 3.34Å; A341-W349 WeakPolarHBondContact O-CB 3.35Å; E342-W349 HydrophobicContact CB-CB 4.15Å; W349-L351 HydrophobicContact CE3-CB 4.42Å; W349-L351 HydrophobicContact CZ3-CB 4.14Å; W349-Q362 HydrophobicContact CH2-CB 4.06Å; W349-Q362 HydrophobicContact CZ3-CB 3.71Å; W349-Q362 WeakPolarHBondContact CZ3-O 3.28Å; W349-L363 WeakPolarHBondContact O-CA 3.47Å; W349-K364 HydrophobicContact CD2-CB 3.93Å; W349-K364 VanDerWaalsContact CE2-CB 3.49Å; W349-K364 HydrophobicContact CG-CB 4.29Å; W349-K364 HydrophobicContact CH2-CB 4.44Å; W349-K364 HydrophobicContact CZ2-CB 3.78Å; W349-K364 HydrophobicContact CZ2-CD 4.2Å; W349-K364 PolarHBondContact N-O 2.89Å; W349-K364 PolarHBondContact O-N 3.44Å; W349-E437 WeakPolarHBondContact CZ2-O 3.48Å; W349-L438 HydrophobicContact CH2-CD2 4.04Å; W349-L438 HydrophobicContact CZ2-CD2 4.47Å; W349-L438 HydrophobicContact CZ3-CD2 4.13Å; W349-I439 HydrophobicContact CH2-CD1 4.11Å; W349-I439 HydrophobicContact CH2-CG1 3.88Å; W349-I439 HydrophobicContact CZ2-CG1 4.26Å
350	L	94.9	Very high	92.9	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	128.2	177.3	176	74.7	0	0	0	109.1	F323 Y340 A341 V361 Q362 L363 I395 L413	F323-L350 HydrophobicContact CD1-CD2 3.56Å; F323-L350 HydrophobicContact CE1-CD2 3.27Å; F323-L350 HydrophobicContact CE2-CD2 4.47Å; F323-L350 HydrophobicContact CG-CD2 4.29Å; F323-L350 HydrophobicContact CZ-CD2 3.77Å; Y340-L350 CarbonylContact C-O 3.45Å; Y340-L350 WeakPolarHBondContact CA-O 3.35Å; A341-L350 PolarHBondContact N-O 2.86Å; A341-L350 PolarHBondContact O-N 2.88Å; L350-V361 HydrophobicContact CD1-CG1 3.49Å; L350-V361 VanDerWaalsContact CD1-CG1 3.49Å; L350-Q362 CarbonylContact C-O 2.97Å; L350-Q362 WeakPolarHBondContact CA-O 3.43Å; L350-L363 HydrophobicContact CD1-CB 3.76Å; L350-I395 HydrophobicContact CD1-CD1 4.22Å; L350-L413 HydrophobicContact CB-CD1 4.41Å; L350-L413 HydrophobicContact CB-CD2 3.88Å; L350-L413 HydrophobicContact CD2-CD2 3.86Å; L350-L413 HydrophobicContact CG-CD2 4.35Å
351	L	95	Very high	93	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	129.1	174.5	-179.4	71.3	0	0	0	109	V337 Y340 W349 A353 V361 Q362 F430 L438 I442	V337-L351 HydrophobicContact CB-CD1 4.4Å; V337-L351 HydrophobicContact CG1-CD1 3.6Å; V337-L351 HydrophobicContact CG2-CD1 3.87Å; Y340-L351 HydrophobicContact CD2-CB 4.18Å; Y340-L351 HydrophobicContact CD2-CD1 3.93Å; Y340-L351 HydrophobicContact CG-CD1 4.43Å; W349-L351 HydrophobicContact CE3-CB 4.42Å; W349-L351 HydrophobicContact CZ3-CB 4.14Å; L351-A353 HydrophobicContact CD2-CB 4.4Å; L351-A353 HydrophobicContact CG-CB 4.31Å; L351-V361 CarbonylContact O-C 3.48Å; L351-V361 VanDerWaalsContact O-CA 3.29Å; L351-V361 WeakPolarHBondContact O-CA 3.48Å; L351-Q362 HydrophobicContact CB-CB 4.15Å; L351-Q362 HydrophobicContact CD2-CB 4.45Å; L351-Q362 HydrophobicContact CD2-CG 4.4Å; L351-Q362 PolarHBondContact N-O 2.8Å; L351-Q362 PolarHBondContact O-N 3.26Å; L351-F430 HydrophobicContact CD1-CD1 4.17Å; L351-L438 HydrophobicContact CD2-CD1 4.2Å; L351-L438 HydrophobicContact CD2-CD2 3.94Å; L351-I442 HydrophobicContact CD2-CG2 4.28Å
352	I	95.2	Very high	93.1	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	118.1	168.7	-55	167.6	0	0	0	106.8	I338 L339 I359 V388	I338-I352 HydrophobicContact CB-CG2 4.47Å; I338-I352 WeakPolarHBondContact CB-O 3.48Å; I338-I352 HydrophobicContact CD1-CG2 4.46Å; I338-I352 PolarHBondContact N-O 3.3Å; L339-I352 HydrophobicContact CB-CB 4.41Å; L339-I352 HydrophobicContact CB-CD1 4.43Å; L339-I352 HydrophobicContact CD2-CD1 4.18Å; L339-I352 PolarHBondContact N-O 3.25Å; L339-I352 PolarHBondContact O-N 3.12Å; I352-I359 HydrophobicContact CG2-CG2 4.21Å; I352-V388 HydrophobicContact CD1-CB 4.15Å; I352-V388 HydrophobicContact CD1-CG1 4.36Å; I352-V388 HydrophobicContact CD1-CG2 3.61Å; I352-V388 HydrophobicContact CG1-CG2 4.4Å
353	A	95.1	Very high	93.1	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	172.7	-175.4	0	0	0	0	0	111.3	G336 V337 L351 I359 E360 I442	G336-A353 CarbonylContact O-C 3.59Å; G336-A353 WeakPolarHBondContact O-CA 3.3Å; G336-A353 WeakPolarHBondContact O-CB 3.39Å; V337-A353 HydrophobicContact CG2-CB 4.28Å; L351-A353 HydrophobicContact CD2-CB 4.4Å; L351-A353 HydrophobicContact CG-CB 4.31Å; A353-I359 WeakPolarHBondContact O-CA 3.1Å; A353-E360 PolarHBondContact N-O 3Å; A353-E360 PolarHBondContact O-N 3.06Å; A353-I442 HydrophobicContact CB-CD1 3.63Å
354	L	95.3	Very high	93.2	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	136.5	172.2	-160.3	73.6	0	0	0	108.6	T331 D333 Q335 G336 K358 I359 I378 N379 I442	T331-L354 HydrophobicContact CG2-CD2 3.66Å; D333-L354 WeakPolarHBondContact O-CD2 3.4Å; Q335-L354 VanDerWaalsContact CA-O 3.26Å; Q335-L354 WeakPolarHBondContact CA-O 3.15Å; G336-L354 PolarHBondContact N-O 3.36Å; G336-L354 VanDerWaalsContact N-O 3.14Å; G336-L354 PolarHBondContact O-N 3.25Å; L354-K358 CarbonylContact C-O 3.59Å; L354-K358 WeakPolarHBondContact CA-O 3.48Å; L354-I359 HydrophobicContact CD1-CD1 4.25Å; L354-I378 HydrophobicContact CD1-CD1 4.03Å; L354-I378 HydrophobicContact CD1-CG1 3.82Å; L354-N379 HydrophobicContact CD2-CB 4.28Å; L354-I442 WeakPolarHBondContact O-CD1 3.49Å
355	R	94.6	Very high	93.3	Very high	43 Å²	43	23.7 Å²	23.7	16%	0.162	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	125.2	170.5	-167.9	-176.5	-59.9	-85	4.1	110.7	S334 Q335 G357 K358 E360 P441	S334-R355 CarbonylContact O-C 3.57Å; S334-R355 WeakPolarHBondContact O-CA 3.28Å; Q335-R355 VanDerWaalsContact OE1-NH1 3.12Å; R355-G357 PolarHBondContact O-N 3.47Å; R355-K358 PolarHBondContact N-O 3.17Å; R355-K358 PolarHBondContact O-N 3.32Å; R355-K358 VanDerWaalsContact O-N 3.14Å; R355-E360 HydrophobicContact CB-CB 4.36Å; R355-E360 VanDerWaalsContact CD-OE2 3.3Å; R355-E360 WeakPolarHBondContact CD-OE2 3.43Å; R355-E360 IonicContact CZ-OE1 3.72Å; R355-E360 IonicContact CZ-OE2 2.73Å; R355-E360 VanDerWaalsContact NE-CD 3.3Å; R355-E360 IonicContact NE-OE1 3.56Å; R355-E360 PolarHBondContact NE-OE1 2.94Å; R355-E360 VanDerWaalsContact NE-OE1 3.15Å; R355-E360 IonicContact NE-OE2 3.19Å; R355-E360 PolarHBondContact NE-OE2 3.37Å; R355-E360 IonicContact NH2-OE1 3.89Å; R355-E360 PolarHBondContact NH2-OE1 3.22Å; R355-E360 IonicContact NH2-OE2 2.73Å; R355-P441 PolarHBondContact NH1-O 3.07Å; R355-P441 PolarHBondContact NH2-O 3.25Å
356	G	93.8	Very high	93.2	Very high	53 Å²	53	24.6 Å²	24.6	55%	0.546	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	31.7	-171.9	0	0	0	0	0	112.5	S334 K358	S334-G356 PolarHBondContact O-N 3.26Å; G356-K358 VanDerWaalsContact C-N 3.25Å; G356-K358 PolarHBondContact O-N 2.78Å
357	G	93.9	Very high	93.2	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.6	3.5	-177.8	0	0	0	0	0	115.6	S334 R355 I377 I378	S334-G357 PolarHBondContact O-N 3.04Å; R355-G357 PolarHBondContact O-N 3.47Å; G357-I377 CarbonylContact O-C 3.48Å; G357-I377 WeakPolarHBondContact O-CA 3.26Å; G357-I378 PolarHBondContact O-N 2.82Å
358	K	95.3	Very high	93.2	Very high	82 Å²	82	24.8 Å²	24.8	36%	0.357	13%	0.128	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	153.2	177.1	-63.6	-176.1	176.8	-172.4	0	111.5	L354 R355 G356 E360 T373 I377	L354-K358 CarbonylContact C-O 3.59Å; L354-K358 WeakPolarHBondContact CA-O 3.48Å; R355-K358 PolarHBondContact N-O 3.17Å; R355-K358 PolarHBondContact O-N 3.32Å; R355-K358 VanDerWaalsContact O-N 3.14Å; G356-K358 VanDerWaalsContact C-N 3.25Å; G356-K358 PolarHBondContact O-N 2.78Å; K358-E360 PolarHBondContact O-N 3.19Å; K358-T373 HydrophobicContact CB-CG2 3.97Å; K358-I377 HydrophobicContact CG-CG1 3.99Å
359	I	95.1	Very high	93.3	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	126.3	175.1	-60.6	-66.2	0	0	0	109.5	I338 I352 A353 L354 V361 T373 G374 I378 I399 M405	I338-I359 HydrophobicContact CD1-CD1 3.76Å; I352-I359 HydrophobicContact CG2-CG2 4.21Å; A353-I359 WeakPolarHBondContact O-CA 3.1Å; L354-I359 HydrophobicContact CD1-CD1 4.25Å; I359-V361 HydrophobicContact CG2-CG2 4.09Å; I359-T373 WeakPolarHBondContact O-CA 3.33Å; I359-G374 PolarHBondContact O-N 3.39Å; I359-G374 VanDerWaalsContact O-N 3.14Å; I359-I378 HydrophobicContact CD1-CD1 3.5Å; I359-I378 HydrophobicContact CG1-CD1 3.82Å; I359-I399 HydrophobicContact CG1-CD1 3.92Å; I359-M405 HydrophobicContact CB-CE 3.98Å; I359-M405 HydrophobicContact CG2-CE 3.72Å
360	E	96.1	Very high	93.2	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	128.4	170.8	-179.9	174.3	101.4	0	0	108.6	A353 R355 K358 Q362 I371 T372 T373	A353-E360 PolarHBondContact N-O 3Å; A353-E360 PolarHBondContact O-N 3.06Å; R355-E360 HydrophobicContact CB-CB 4.36Å; R355-E360 VanDerWaalsContact CD-OE2 3.3Å; R355-E360 WeakPolarHBondContact CD-OE2 3.43Å; R355-E360 IonicContact CZ-OE1 3.72Å; R355-E360 IonicContact CZ-OE2 2.73Å; R355-E360 VanDerWaalsContact NE-CD 3.3Å; R355-E360 IonicContact NE-OE1 3.56Å; R355-E360 PolarHBondContact NE-OE1 2.94Å; R355-E360 VanDerWaalsContact NE-OE1 3.15Å; R355-E360 IonicContact NE-OE2 3.19Å; R355-E360 PolarHBondContact NE-OE2 3.37Å; R355-E360 IonicContact NH2-OE1 3.89Å; R355-E360 PolarHBondContact NH2-OE1 3.22Å; R355-E360 IonicContact NH2-OE2 2.73Å; K358-E360 PolarHBondContact O-N 3.19Å; E360-Q362 HydrophobicContact CG-CG 4.35Å; E360-Q362 PolarHBondContact OE1-NE2 3.06Å; E360-I371 HydrophobicContact CG-CD1 4.13Å; E360-I371 HydrophobicContact CG-CG1 4.08Å; E360-T372 WeakPolarHBondContact CA-O 3.43Å; E360-T373 HydrophobicContact CB-CG2 4.32Å; E360-T373 PolarHBondContact OE2-OG1 3.33Å
361	V	95.6	Very high	93.2	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	122.8	174.1	-179.8	0	0	0	0	108.8	L350 L351 I359 I371 T372 I397 M405 I407	L350-V361 HydrophobicContact CD1-CG1 3.49Å; L350-V361 VanDerWaalsContact CD1-CG1 3.49Å; L351-V361 CarbonylContact O-C 3.48Å; L351-V361 VanDerWaalsContact O-CA 3.29Å; L351-V361 WeakPolarHBondContact O-CA 3.48Å; I359-V361 HydrophobicContact CG2-CG2 4.09Å; V361-I371 WeakPolarHBondContact O-CA 3.29Å; V361-T372 PolarHBondContact N-O 3.21Å; V361-T372 PolarHBondContact O-N 2.92Å; V361-I397 HydrophobicContact CG2-CD1 4.08Å; V361-I397 HydrophobicContact CG2-CG1 4.06Å; V361-M405 HydrophobicContact CG2-CE 4.17Å; V361-I407 HydrophobicContact CB-CD1 3.75Å; V361-I407 HydrophobicContact CG1-CD1 3.76Å; V361-I407 HydrophobicContact CG2-CD1 4.46Å
362	Q	95.1	Very high	93.2	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	133	170.2	-55.7	-176.4	30.9	0	0	108.2	W349 L350 L351 E360 K370 I371 I439 K440	W349-Q362 HydrophobicContact CH2-CB 4.06Å; W349-Q362 HydrophobicContact CZ3-CB 3.71Å; W349-Q362 WeakPolarHBondContact CZ3-O 3.28Å; L350-Q362 CarbonylContact C-O 2.97Å; L350-Q362 WeakPolarHBondContact CA-O 3.43Å; L351-Q362 HydrophobicContact CB-CB 4.15Å; L351-Q362 HydrophobicContact CD2-CB 4.45Å; L351-Q362 HydrophobicContact CD2-CG 4.4Å; L351-Q362 PolarHBondContact N-O 2.8Å; L351-Q362 PolarHBondContact O-N 3.26Å; E360-Q362 HydrophobicContact CG-CG 4.35Å; E360-Q362 PolarHBondContact OE1-NE2 3.06Å; Q362-K370 WeakPolarHBondContact CA-O 3.33Å; Q362-I371 HydrophobicContact CG-CB 4.19Å; Q362-I371 HydrophobicContact CG-CD1 3.81Å; Q362-I371 HydrophobicContact CG-CG1 3.83Å; Q362-I439 HydrophobicContact CB-CD1 4.29Å; Q362-K440 PolarHBondContact NE2-O 2.86Å; Q362-K440 PolarHBondContact OE1-O 3.44Å
363	L	94.1	Very high	93.2	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	147.9	176.4	72.3	88.4	0	0	0	111	W349 L350 S369 K370 I395 I407 L413	W349-L363 WeakPolarHBondContact O-CA 3.47Å; L350-L363 HydrophobicContact CD1-CB 3.76Å; L363-S369 WeakPolarHBondContact O-CA 3.46Å; L363-K370 HydrophobicContact CG-CB 4.44Å; L363-K370 PolarHBondContact N-O 2.93Å; L363-K370 PolarHBondContact O-N 3.31Å; L363-I395 HydrophobicContact CD2-CD1 3.69Å; L363-I395 HydrophobicContact CD2-CG1 4.47Å; L363-I407 HydrophobicContact CD2-CG2 3.82Å; L363-L413 HydrophobicContact CB-CD1 4.42Å
364	K	92.4	Very high	92.9	Very high	80 Å²	80	40.6 Å²	40.6	35%	0.348	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	127.8	171.5	-174.4	-175.9	177.7	-174.2	0	108.3	A348 W349 T368	A348-K364 CarbonylContact C-O 3.42Å; A348-K364 WeakPolarHBondContact CA-O 3.33Å; A348-K364 WeakPolarHBondContact CB-O 3.27Å; W349-K364 HydrophobicContact CD2-CB 3.93Å; W349-K364 VanDerWaalsContact CE2-CB 3.49Å; W349-K364 HydrophobicContact CG-CB 4.29Å; W349-K364 HydrophobicContact CH2-CB 4.44Å; W349-K364 HydrophobicContact CZ2-CB 3.78Å; W349-K364 HydrophobicContact CZ2-CD 4.2Å; W349-K364 PolarHBondContact N-O 2.89Å; W349-K364 PolarHBondContact O-N 3.44Å; K364-T368 WeakPolarHBondContact CA-O 3.46Å
365	N	89.4	Confident	92.6	Very high	11 Å²	11	41.7 Å²	41.7	6%	0.059	23%	0.232	C	C	.	.			trans	-133.3	-175.2	165	72	-3.8	0	0	0	108.8	A348 H367 T368 P410 P412	A348-N365 HydrophobicContact CB-CB 4.16Å; N365-H367 PolarHBondContact O-N 3.28Å; N365-H367 VanDerWaalsContact O-N 3.12Å; N365-H367 PolarHBondContact OD1-N 3.07Å; N365-H367 VanDerWaalsContact OD1-N 3.09Å; N365-T368 PolarHBondContact N-O 3.38Å; N365-T368 PolarHBondContact OD1-N 2.62Å; N365-T368 PolarHBondContact OD1-O 2.99Å; N365-T368 PolarHBondContact OD1-OG1 2.9Å; N365-P410 PolarHBondContact ND2-O 2.84Å; N365-P412 PolarHBondContact ND2-O 2.74Å
366	E	85.4	Confident	92.4	Very high	106 Å²	106	45.6 Å²	45.6	50%	0.495	26%	0.256	S	S	.	.	S	Bend	trans	-62.6	-20.1	-179.2	-65.6	-169	174.2	0	0	114.7	K415	E366-K415 WeakPolarHBondContact OE1-CD 3.39Å; E366-K415 WeakPolarHBondContact OE1-CE 3.48Å; E366-K415 IonicContact OE1-NZ 3.92Å; E366-K415 PolarHBondContact OE1-NZ 3.37Å; E366-K415 WeakPolarHBondContact OE2-CE 3.41Å; E366-K415 IonicContact OE2-NZ 2.62Å; E366-K415 PolarHBondContact OE2-NZ 3.31Å
367	H	87	Confident	92.4	Very high	114 Å²	114	47.8 Å²	47.8	53%	0.528	26%	0.255	S	S	.	.	S	Bend	trans	-107.8	-25.9	-172.4	-55.5	-60.9	0	0	0	113.2	N365 P410	N365-H367 PolarHBondContact O-N 3.28Å; N365-H367 VanDerWaalsContact O-N 3.12Å; N365-H367 PolarHBondContact OD1-N 3.07Å; N365-H367 VanDerWaalsContact OD1-N 3.09Å; H367-P410 HydrophobicContact CB-CB 4.15Å; H367-P410 HydrophobicContact CB-CG 3.65Å; H367-P410 PolarHBondContact CD2-O 2.98Å; H367-P410 VanDerWaalsContact CD2-O 3.25Å
368	T	88.7	Confident	92.4	Very high	27 Å²	27	48 Å²	48	17%	0.166	26%	0.256	C	S	.	.			trans	-149.3	149.7	-174	49.9	0	0	0	0	113.1	K364 N365 P410	K364-T368 WeakPolarHBondContact CA-O 3.46Å; N365-T368 PolarHBondContact N-O 3.38Å; N365-T368 PolarHBondContact OD1-N 2.62Å; N365-T368 PolarHBondContact OD1-O 2.99Å; N365-T368 PolarHBondContact OD1-OG1 2.9Å; T368-P410 HydrophobicContact CG2-CG 3.44Å; T368-P410 VanDerWaalsContact CG2-CG 3.44Å
369	S	92.5	Very high	92.3	Very high	70 Å²	70	45.8 Å²	45.8	49%	0.49	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	120.3	165.3	-176.6	0	0	0	0	107.6	L363 I439	L363-S369 WeakPolarHBondContact O-CA 3.46Å; S369-I439 WeakPolarHBondContact OG-CD1 2.88Å; S369-I439 VanDerWaalsContact OG-CG1 3.29Å; S369-I439 WeakPolarHBondContact OG-CG1 3.33Å
370	K	93.1	Very high	92.3	Very high	74 Å²	74	49.3 Å²	49.3	32%	0.322	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	148.1	-174	-72	-172.8	179.7	176.5	0	111.7	Q362 L363 I407 N408 I439	Q362-K370 WeakPolarHBondContact CA-O 3.33Å; L363-K370 HydrophobicContact CG-CB 4.44Å; L363-K370 PolarHBondContact N-O 2.93Å; L363-K370 PolarHBondContact O-N 3.31Å; K370-I407 HydrophobicContact CB-CG2 4.38Å; K370-I407 HydrophobicContact CD-CG2 4.12Å; K370-N408 PolarHBondContact NZ-O 3.41Å; K370-I439 VanDerWaalsContact O-CD1 3.3Å; K370-I439 WeakPolarHBondContact O-CD1 3.41Å
371	I	94.6	Very high	92.1	Very high	67 Å²	67	49.9 Å²	49.9	34%	0.344	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	130.6	171	178.7	166.9	0	0	0	108.3	E360 V361 Q362 I439 K440	E360-I371 HydrophobicContact CG-CD1 4.13Å; E360-I371 HydrophobicContact CG-CG1 4.08Å; V361-I371 WeakPolarHBondContact O-CA 3.29Å; Q362-I371 HydrophobicContact CG-CB 4.19Å; Q362-I371 HydrophobicContact CG-CD1 3.81Å; Q362-I371 HydrophobicContact CG-CG1 3.83Å; I371-I439 HydrophobicContact CB-CG2 4.41Å; I371-I439 HydrophobicContact CG2-CG2 4.21Å; I371-K440 HydrophobicContact CD1-CB 3.7Å; I371-K440 HydrophobicContact CD1-CD 3.8Å; I371-K440 HydrophobicContact CD1-CG 4.43Å
372	T	94.9	Very high	92	Very high	43 Å²	43	55.2 Å²	55.2	26%	0.264	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	129.2	177.3	-50.6	0	0	0	0	108.9	E360 V361 M405 I407	E360-T372 WeakPolarHBondContact CA-O 3.43Å; V361-T372 PolarHBondContact N-O 3.21Å; V361-T372 PolarHBondContact O-N 2.92Å; T372-M405 HydrophobicContact CG2-CB 4.5Å; T372-M405 HydrophobicContact CG2-CG 4.18Å; T372-M405 HydrophobicContact CG2-SD 3.71Å; T372-I407 HydrophobicContact CG2-CD1 4.45Å; T372-I407 HydrophobicContact CG2-CG1 4.26Å
373	T	94.5	Very high	92	Very high	69 Å²	69	58.6 Å²	58.6	42%	0.423	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	130.5	172.5	-47.2	0	0	0	0	107.9	K358 I359 E360	K358-T373 HydrophobicContact CB-CG2 3.97Å; I359-T373 WeakPolarHBondContact O-CA 3.33Å; E360-T373 HydrophobicContact CB-CG2 4.32Å; E360-T373 PolarHBondContact OE2-OG1 3.33Å
374	G	89.7	Confident	92.1	Very high	14 Å²	14	59.9 Å²	59.9	14%	0.144	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.8	175.6	-173.4	0	0	0	0	0	113.2	I359 M405	I359-G374 PolarHBondContact O-N 3.39Å; I359-G374 VanDerWaalsContact O-N 3.14Å; G374-M405 PolarHBondContact N-SD 3.44Å
375	G	88.3	Confident	92.2	Very high	22 Å²	22	58.7 Å²	58.7	23%	0.227	32%	0.316	C	S	.	.	S	Bend	trans	79.5	-176.3	-172.3	0	0	0	0	0	114.1
376	D	90.3	Very high	92.4	Very high	125 Å²	125	58.2 Å²	58.2	67%	0.668	31%	0.314	S	S	*	.			trans	-79.7	165.9	179.6	-67.4	-35.7	0	0	0	112.2	I378	D376-I378 PolarHBondContact O-N 2.81Å
377	I	93.9	Very high	92.9	Very high	100 Å²	100	53.8 Å²	53.8	51%	0.513	29%	0.294	S	S	.	.			trans	-74.1	119.4	174.4	-63.5	174.9	0	0	0	108.3	G357 K358 N379	G357-I377 CarbonylContact O-C 3.48Å; G357-I377 WeakPolarHBondContact O-CA 3.26Å; K358-I377 HydrophobicContact CG-CG1 3.99Å; I377-N379 WeakPolarHBondContact CG2-OD1 3.11Å
378	I	93.7	Very high	93.3	Very high	4 Å²	4	48.3 Å²	48.3	2%	0.021	27%	0.269	C	S	.	.			trans	-112.2	3.7	-173	62.9	166.8	0	0	0	114.3	F329 L354 G357 I359 D376 N380 I399	F329-I378 HydrophobicContact CD1-CD1 3.94Å; F329-I378 HydrophobicContact CE1-CD1 4.16Å; L354-I378 HydrophobicContact CD1-CD1 4.03Å; L354-I378 HydrophobicContact CD1-CG1 3.82Å; G357-I378 PolarHBondContact O-N 2.82Å; I359-I378 HydrophobicContact CD1-CD1 3.5Å; I359-I378 HydrophobicContact CG1-CD1 3.82Å; D376-I378 PolarHBondContact O-N 2.81Å; I378-N380 PolarHBondContact O-N 3.42Å; I378-N380 VanDerWaalsContact O-N 3.12Å; I378-I399 HydrophobicContact CG2-CD1 4.26Å; I378-I399 HydrophobicContact CG2-CG2 4.17Å
379	N	94.6	Very high	93.5	Very high	36 Å²	36	49.9 Å²	49.9	19%	0.193	27%	0.274	C	S	.	.			trans	-86.9	46	179.9	72.4	-38.9	0	0	0	113.6	T331 Y332 D333 L354 I377	T331-N379 HydrophobicContact CG2-CB 4.1Å; T331-N379 CarbonylContact O-C 3.55Å; T331-N379 VanDerWaalsContact O-CA 3.25Å; T331-N379 WeakPolarHBondContact O-CA 3.43Å; Y332-N379 PolarHBondContact O-ND2 3.08Å; D333-N379 WeakPolarHBondContact O-CB 3.38Å; D333-N379 PolarHBondContact O-ND2 2.86Å; L354-N379 HydrophobicContact CD2-CB 4.28Å; I377-N379 WeakPolarHBondContact CG2-OD1 3.11Å
380	N	93.6	Very high	93.6	Very high	73 Å²	73	47.1 Å²	47.1	39%	0.39	25%	0.254	S	S	.	.	S	Bend	trans	-102.9	9.6	-178.5	61.1	11.7	0	0	0	113.1	Y332 I378 L382	Y332-N380 VanDerWaalsContact CE1-C 3.44Å; Y332-N380 WeakPolarHBondContact CE1-O 3.46Å; I378-N380 PolarHBondContact O-N 3.42Å; I378-N380 VanDerWaalsContact O-N 3.12Å; N380-L382 PolarHBondContact O-N 3.04Å; N380-L382 VanDerWaalsContact OD1-CB 3.23Å; N380-L382 WeakPolarHBondContact OD1-CB 3.47Å; N380-L382 PolarHBondContact OD1-N 3.35Å
381	G	92.9	Very high	93.6	Very high	12 Å²	12	47.1 Å²	47.1	12%	0.124	26%	0.257	C	S	.	.	S	Bend	trans	74.8	-0.9	-176.1	0	0	0	0	0	115.5	T331	T331-G381 PolarHBondContact O-N 2.01Å
382	L	94.3	Very high	93.3	Very high	112 Å²	112	49.9 Å²	49.9	59%	0.586	27%	0.269	S	S	*	.	S	Bend	trans	-85.7	154.7	175.5	-55.7	178.4	0	0	0	111.1	R330 N380 N384	R330-L382 WeakPolarHBondContact CB-O 3.28Å; N380-L382 PolarHBondContact O-N 3.04Å; N380-L382 VanDerWaalsContact OD1-CB 3.23Å; N380-L382 WeakPolarHBondContact OD1-CB 3.47Å; N380-L382 PolarHBondContact OD1-N 3.35Å; L382-N384 PolarHBondContact O-ND2 3.2Å
383	W	94.9	Very high	93	Very high	71 Å²	71	54 Å²	54	27%	0.269	29%	0.285	S	S	.	.			trans	-76.8	124.9	175.5	-72.2	104.2	0	0	0	110.7	L299 D328 R330 C449 R451	L299-W383 HydrophobicContact CD2-CH2 3.85Å; L299-W383 HydrophobicContact CD2-CZ2 3.75Å; D328-W383 HydrophobicContact CB-CE3 3.81Å; D328-W383 HydrophobicContact CB-CZ3 4.17Å; D328-W383 WeakPolarHBondContact O-CZ3 3.39Å; R330-W383 HydrophobicContact CB-CD2 4.15Å; R330-W383 HydrophobicContact CB-CE3 4.05Å; R330-W383 HydrophobicContact CB-CZ3 4.45Å; R330-W383 HydrophobicContact CG-CD2 4Å; R330-W383 HydrophobicContact CG-CE3 3.94Å; R330-W383 HydrophobicContact CG-CH2 3.98Å; R330-W383 HydrophobicContact CG-CZ2 4.01Å; R330-W383 HydrophobicContact CG-CZ3 3.93Å; R330-W383 VanDerWaalsContact CZ-CZ2 3.49Å; R330-W383 VanDerWaalsContact NE-CZ2 3.29Å; W383-C449 HydrophobicContact CH2-CB 4.02Å; W383-C449 WeakPolarHBondContact CZ3-O 3.02Å; W383-R451 HydrophobicContact CE3-CG 4.14Å; W383-R451 HydrophobicContact CH2-CB 4.15Å; W383-R451 HydrophobicContact CH2-CG 3.8Å; W383-R451 HydrophobicContact CZ2-CG 4.41Å; W383-R451 HydrophobicContact CZ3-CB 4.29Å; W383-R451 HydrophobicContact CZ3-CG 3.66Å
384	N	94.7	Very high	92.9	Very high	28 Å²	28	51.3 Å²	51.3	15%	0.15	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	128	176.3	-64.1	-80	0	0	0	109.3	D328 F329 L382 V386 I399	D328-N384 WeakPolarHBondContact CA-O 3.46Å; F329-N384 PolarHBondContact N-O 3.41Å; F329-N384 PolarHBondContact O-N 3.47Å; L382-N384 PolarHBondContact O-ND2 3.2Å; N384-V386 PolarHBondContact O-N 3.46Å; N384-I399 HydrophobicContact CB-CG2 4.44Å
385	M	94.4	Very high	93.2	Very high	55 Å²	55	50.7 Å²	50.7	27%	0.271	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	116.1	172.5	177.8	-175.7	-75.4	0	0	108.7	I399 A400 K401	M385-I399 CarbonylContact O-C 3.54Å; M385-I399 WeakPolarHBondContact O-CA 3.42Å; M385-A400 PolarHBondContact O-N 3.12Å; M385-K401 HydrophobicContact SD-CG 4Å
386	V	94.8	Very high	93.5	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	128.7	176.6	-178.3	0	0	0	0	108.2	E326 F327 F329 N384 K398	E326-V386 WeakPolarHBondContact CA-O 3.12Å; F327-V386 HydrophobicContact CD2-CB 4.29Å; F327-V386 HydrophobicContact CE2-CB 3.81Å; F327-V386 HydrophobicContact CE2-CG1 4.25Å; F327-V386 HydrophobicContact CE2-CG2 4.26Å; F327-V386 HydrophobicContact CZ-CB 4.05Å; F327-V386 HydrophobicContact CZ-CG1 4Å; F327-V386 PolarHBondContact N-O 3.45Å; F327-V386 PolarHBondContact O-N 2.89Å; F329-V386 HydrophobicContact CB-CG2 4.43Å; N384-V386 PolarHBondContact O-N 3.46Å; V386-K398 WeakPolarHBondContact CA-O 3.41Å
387	S	94.9	Very high	93.7	Very high	13 Å²	13	44.2 Å²	44.2	9%	0.091	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	137.6	170.8	71.3	0	0	0	0	112.1	A325 I397 K398	A325-S387 CarbonylContact O-C 3.59Å; A325-S387 VanDerWaalsContact O-CA 3.3Å; A325-S387 WeakPolarHBondContact O-CA 3.01Å; S387-I397 CarbonylContact O-C 3.58Å; S387-I397 WeakPolarHBondContact O-CA 3.38Å; S387-K398 PolarHBondContact N-O 2.97Å; S387-K398 PolarHBondContact O-N 2.93Å; S387-K398 WeakPolarHBondContact OG-CB 3.34Å
388	V	95	Very high	93.7	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	117.9	177.1	-179	0	0	0	0	107.5	F323 S324 A325 I352 I395 S396 I397	F323-V388 HydrophobicContact CD1-CG1 4.35Å; F323-V388 HydrophobicContact CE1-CB 4.46Å; F323-V388 HydrophobicContact CE1-CG1 4.08Å; S324-V388 WeakPolarHBondContact CA-O 3.24Å; A325-V388 PolarHBondContact N-O 3.46Å; A325-V388 PolarHBondContact O-N 2.95Å; I352-V388 HydrophobicContact CD1-CB 4.15Å; I352-V388 HydrophobicContact CD1-CG1 4.36Å; I352-V388 HydrophobicContact CD1-CG2 3.61Å; I352-V388 HydrophobicContact CG1-CG2 4.4Å; V388-I395 HydrophobicContact CG1-CG2 3.6Å; V388-S396 WeakPolarHBondContact CA-O 3.11Å; V388-I397 HydrophobicContact CG1-CG1 4.26Å; V388-I397 HydrophobicContact CG2-CG1 3.95Å; V388-I397 HydrophobicContact CG2-CG2 4.19Å
389	E	94.4	Very high	93.7	Very high	59 Å²	59	42.7 Å²	42.7	28%	0.276	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	121.8	-175.8	-63.7	-177.5	136.9	0	0	110.1	L391 S396 K398	E389-L391 PolarHBondContact O-N 3.37Å; E389-S396 PolarHBondContact N-O 2.76Å; E389-S396 PolarHBondContact O-N 3.23Å; E389-K398 IonicContact OE2-NZ 3.74Å; E389-K398 PolarHBondContact OE2-NZ 2.7Å
390	E	94.1	Very high	93.4	Very high	13 Å²	13	43.9 Å²	43.9	6%	0.061	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	112.2	172.4	-171.4	-165.7	177.3	0	0	110.3	R322 F323 K409 P412 L413	R322-E390 HydrophobicContact CB-CB 4.12Å; R322-E390 HydrophobicContact CB-CG 4.46Å; R322-E390 VanDerWaalsContact CD-O 3.27Å; R322-E390 WeakPolarHBondContact CD-O 3.48Å; F323-E390 HydrophobicContact CB-CB 4.07Å; F323-E390 PolarHBondContact N-OE2 3.04Å; F323-E390 WeakPolarHBondContact O-CB 3.39Å; F323-E390 PolarHBondContact O-N 3.36Å; E390-K409 HydrophobicContact CG-CD 4.07Å; E390-K409 WeakPolarHBondContact OE1-CE 3.26Å; E390-K409 IonicContact OE1-NZ 2.57Å; E390-K409 PolarHBondContact OE1-NZ 2.79Å; E390-P412 WeakPolarHBondContact OE1-CA 3.37Å; E390-L413 HydrophobicContact CG-CB 4.5Å; E390-L413 WeakPolarHBondContact OE1-CB 3.41Å; E390-L413 PolarHBondContact OE1-N 3.49Å
391	L	92.6	Very high	93.1	Very high	73 Å²	73	48.3 Å²	48.3	38%	0.382	24%	0.244	S	C	.	.			trans	-91.7	-176.2	173.7	-55.4	-178.6	0	0	0	110.5	E389 S394 K409	E389-L391 PolarHBondContact O-N 3.37Å; L391-S394 CarbonylContact C-O 3.6Å; L391-S394 WeakPolarHBondContact CA-O 3.47Å; L391-S394 WeakPolarHBondContact CB-O 3.48Å; L391-S394 PolarHBondContact N-O 3.44Å; L391-K409 WeakPolarHBondContact O-CE 3.36Å; L391-K409 PolarHBondContact O-NZ 2.82Å
392	E	88.3	Confident	93	Very high	126 Å²	126	54.2 Å²	54.2	59%	0.589	27%	0.268	S	S	*	.	S	Bend	trans	-67.8	-41.4	-175.6	-167.9	167.8	-178.2	0	0	112.5
393	H	88.9	Confident	92.8	Very high	130 Å²	130	52.5 Å²	52.5	60%	0.602	27%	0.27	S	S	*	.	S	Bend	trans	-122.5	2.9	-177.3	-58.2	-46.8	0	0	0	114	K409	H393-K409 CarbonylContact C-O 3.32Å; H393-K409 PolarHBondContact O-N 3.26Å
394	S	93.6	Very high	92.7	Very high	12 Å²	12	51.1 Å²	51.1	8%	0.084	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	171.2	-178.4	71.5	0	0	0	0	113	L391 D406 I407 K409	L391-S394 CarbonylContact C-O 3.6Å; L391-S394 WeakPolarHBondContact CA-O 3.47Å; L391-S394 WeakPolarHBondContact CB-O 3.48Å; L391-S394 PolarHBondContact N-O 3.44Å; S394-D406 WeakPolarHBondContact CB-OD1 3.25Å; S394-D406 PolarHBondContact OG-OD1 3.41Å; S394-I407 CarbonylContact C-O 3.48Å; S394-I407 WeakPolarHBondContact CA-O 3.46Å; S394-I407 WeakPolarHBondContact CB-O 3.4Å; S394-K409 WeakPolarHBondContact O-CE 3.39Å
395	I	94.1	Very high	92.6	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	118.7	166.9	-53	-170.9	0	0	0	107.4	L350 L363 V388 I397 I407 K409 L413	L350-I395 HydrophobicContact CD1-CD1 4.22Å; L363-I395 HydrophobicContact CD2-CD1 3.69Å; L363-I395 HydrophobicContact CD2-CG1 4.47Å; V388-I395 HydrophobicContact CG1-CG2 3.6Å; I395-I397 HydrophobicContact CG2-CD1 4.19Å; I395-I407 HydrophobicContact CB-CB 4.45Å; I395-I407 PolarHBondContact N-O 3.03Å; I395-I407 PolarHBondContact O-N 2.86Å; I395-K409 HydrophobicContact CD1-CD 4.19Å; I395-K409 HydrophobicContact CG1-CD 3.67Å; I395-L413 HydrophobicContact CD1-CD1 4.35Å; I395-L413 HydrophobicContact CD1-CD2 4.33Å
396	S	94.9	Very high	92.5	Very high	12 Å²	12	52.6 Å²	52.6	8%	0.084	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	130.1	176.3	-174.8	0	0	0	0	109.6	V388 E389	V388-S396 WeakPolarHBondContact CA-O 3.11Å; E389-S396 PolarHBondContact N-O 2.76Å; E389-S396 PolarHBondContact O-N 3.23Å
397	I	95.3	Very high	92.4	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	128.5	172.7	-57.7	94	0	0	0	108.4	V361 S387 V388 I395 V404 M405 I407	V361-I397 HydrophobicContact CG2-CD1 4.08Å; V361-I397 HydrophobicContact CG2-CG1 4.06Å; S387-I397 CarbonylContact O-C 3.58Å; S387-I397 WeakPolarHBondContact O-CA 3.38Å; V388-I397 HydrophobicContact CG1-CG1 4.26Å; V388-I397 HydrophobicContact CG2-CG1 3.95Å; V388-I397 HydrophobicContact CG2-CG2 4.19Å; I395-I397 HydrophobicContact CG2-CD1 4.19Å; I397-V404 HydrophobicContact CB-CG2 4.38Å; I397-V404 HydrophobicContact CG2-CG2 4.05Å; I397-V404 WeakPolarHBondContact O-CG2 3.39Å; I397-V404 PolarHBondContact O-N 2.94Å; I397-M405 HydrophobicContact CB-CB 4.19Å; I397-M405 HydrophobicContact CB-CE 3.98Å; I397-M405 HydrophobicContact CD1-CB 3.87Å; I397-M405 HydrophobicContact CD1-CE 4.29Å; I397-M405 HydrophobicContact CG1-CE 4.23Å; I397-M405 HydrophobicContact CG2-CE 3.86Å; I397-M405 PolarHBondContact N-O 2.76Å; I397-M405 PolarHBondContact O-N 3.24Å; I397-I407 HydrophobicContact CD1-CD1 3.68Å; I397-I407 HydrophobicContact CD1-CG1 3.98Å
398	K	94.6	Very high	92.1	Very high	57 Å²	57	57.2 Å²	57.2	25%	0.248	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	140.5	178.4	-53.1	169.5	-177.3	153.7	0	110.5	V386 S387 E389 E402 A403	V386-K398 WeakPolarHBondContact CA-O 3.41Å; S387-K398 PolarHBondContact N-O 2.97Å; S387-K398 PolarHBondContact O-N 2.93Å; S387-K398 WeakPolarHBondContact OG-CB 3.34Å; E389-K398 IonicContact OE2-NZ 3.74Å; E389-K398 PolarHBondContact OE2-NZ 2.7Å; K398-E402 CarbonylContact C-O 3.05Å; K398-E402 WeakPolarHBondContact CA-O 3.38Å; K398-E402 WeakPolarHBondContact CB-O 3.39Å; K398-A403 HydrophobicContact CG-CB 4.27Å
399	I	92.7	Very high	91.7	Very high	14 Å²	14	57.6 Å²	57.6	7%	0.072	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	129.2	171.5	-60.9	175.1	0	0	0	106.7	I359 I378 N384 M385 K401 E402 V404	I359-I399 HydrophobicContact CG1-CD1 3.92Å; I378-I399 HydrophobicContact CG2-CD1 4.26Å; I378-I399 HydrophobicContact CG2-CG2 4.17Å; N384-I399 HydrophobicContact CB-CG2 4.44Å; M385-I399 CarbonylContact O-C 3.54Å; M385-I399 WeakPolarHBondContact O-CA 3.42Å; I399-K401 PolarHBondContact O-N 2.97Å; I399-K401 VanDerWaalsContact O-N 3.1Å; I399-E402 PolarHBondContact N-O 2.92Å; I399-E402 PolarHBondContact O-N 2.83Å; I399-V404 HydrophobicContact CB-CG1 4.05Å; I399-V404 HydrophobicContact CB-CG2 4.48Å; I399-V404 HydrophobicContact CD1-CG1 4.18Å; I399-V404 HydrophobicContact CD1-CG2 3.84Å; I399-V404 HydrophobicContact CG1-CG1 4.18Å; I399-V404 HydrophobicContact CG1-CG2 3.77Å
400	A	89.3	Confident	91	Very high	62 Å²	62	57.7 Å²	57.7	51%	0.512	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.9	33.6	-175.2	0	0	0	0	0	113.6	M385 E402	M385-A400 PolarHBondContact O-N 3.12Å; A400-E402 PolarHBondContact O-N 3.34Å
401	K	87.6	Confident	90.5	Very high	165 Å²	165	58.3 Å²	58.3	72%	0.717	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.9	2.3	-175.5	-51.2	177	178.5	178.2	0	115.9	M385 I399	M385-K401 HydrophobicContact SD-CG 4Å; I399-K401 PolarHBondContact O-N 2.97Å; I399-K401 VanDerWaalsContact O-N 3.1Å
402	E	89.9	Confident	90.3	Very high	137 Å²	137	58.2 Å²	58.2	64%	0.64	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.3	131.5	174.1	-61	-174.4	175.4	0	0	110.3	K398 I399 A400 V404	K398-E402 CarbonylContact C-O 3.05Å; K398-E402 WeakPolarHBondContact CA-O 3.38Å; K398-E402 WeakPolarHBondContact CB-O 3.39Å; I399-E402 PolarHBondContact N-O 2.92Å; I399-E402 PolarHBondContact O-N 2.83Å; A400-E402 PolarHBondContact O-N 3.34Å; E402-V404 PolarHBondContact O-N 2.74Å
403	A	89.5	Confident	90.3	Very high	76 Å²	76	52.3 Å²	52.3	63%	0.628	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.9	113.4	178.3	0	0	0	0	0	110.4	K398	K398-A403 HydrophobicContact CG-CB 4.27Å
404	V	92.6	Very high	90.4	Very high	41 Å²	41	46.4 Å²	46.4	25%	0.248	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	-23.9	-177	-66.2	0	0	0	0	113	I397 I399 E402	I397-V404 HydrophobicContact CB-CG2 4.38Å; I397-V404 HydrophobicContact CG2-CG2 4.05Å; I397-V404 WeakPolarHBondContact O-CG2 3.39Å; I397-V404 PolarHBondContact O-N 2.94Å; I399-V404 HydrophobicContact CB-CG1 4.05Å; I399-V404 HydrophobicContact CB-CG2 4.48Å; I399-V404 HydrophobicContact CD1-CG1 4.18Å; I399-V404 HydrophobicContact CD1-CG2 3.84Å; I399-V404 HydrophobicContact CG1-CG1 4.18Å; I399-V404 HydrophobicContact CG1-CG2 3.77Å; E402-V404 PolarHBondContact O-N 2.74Å
405	M	93.2	Very high	90	Very high	13 Å²	13	50.3 Å²	50.3	6%	0.064	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	145.9	177.6	-63.7	-179.6	-80.6	0	0	110.8	I359 V361 T372 G374 I397	I359-M405 HydrophobicContact CB-CE 3.98Å; I359-M405 HydrophobicContact CG2-CE 3.72Å; V361-M405 HydrophobicContact CG2-CE 4.17Å; T372-M405 HydrophobicContact CG2-CB 4.5Å; T372-M405 HydrophobicContact CG2-CG 4.18Å; T372-M405 HydrophobicContact CG2-SD 3.71Å; G374-M405 PolarHBondContact N-SD 3.44Å; I397-M405 HydrophobicContact CB-CB 4.19Å; I397-M405 HydrophobicContact CB-CE 3.98Å; I397-M405 HydrophobicContact CD1-CB 3.87Å; I397-M405 HydrophobicContact CD1-CE 4.29Å; I397-M405 HydrophobicContact CG1-CE 4.23Å; I397-M405 HydrophobicContact CG2-CE 3.86Å; I397-M405 PolarHBondContact N-O 2.76Å; I397-M405 PolarHBondContact O-N 3.24Å
406	D	92.3	Very high	89.6	Confident	102 Å²	102	52.5 Å²	52.5	55%	0.545	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	110.2	171.1	-168.6	16.3	0	0	0	109	S394	S394-D406 WeakPolarHBondContact CB-OD1 3.25Å; S394-D406 PolarHBondContact OG-OD1 3.41Å
407	I	92.1	Very high	89	Confident	5 Å²	5	56.7 Å²	56.7	3%	0.026	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	105	-171.4	-49.9	176.8	0	0	0	108.8	V361 L363 K370 T372 S394 I395 I397 K409	V361-I407 HydrophobicContact CB-CD1 3.75Å; V361-I407 HydrophobicContact CG1-CD1 3.76Å; V361-I407 HydrophobicContact CG2-CD1 4.46Å; L363-I407 HydrophobicContact CD2-CG2 3.82Å; K370-I407 HydrophobicContact CB-CG2 4.38Å; K370-I407 HydrophobicContact CD-CG2 4.12Å; T372-I407 HydrophobicContact CG2-CD1 4.45Å; T372-I407 HydrophobicContact CG2-CG1 4.26Å; S394-I407 CarbonylContact C-O 3.48Å; S394-I407 WeakPolarHBondContact CA-O 3.46Å; S394-I407 WeakPolarHBondContact CB-O 3.4Å; I395-I407 HydrophobicContact CB-CB 4.45Å; I395-I407 PolarHBondContact N-O 3.03Å; I395-I407 PolarHBondContact O-N 2.86Å; I397-I407 HydrophobicContact CD1-CD1 3.68Å; I397-I407 HydrophobicContact CD1-CG1 3.98Å; I407-K409 PolarHBondContact O-N 3.06Å
408	N	89.8	Confident	88.5	Confident	105 Å²	105	64.1 Å²	64.1	56%	0.561	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57	122.3	176.7	-68.8	-32.5	0	0	0	111.3	K370	K370-N408 PolarHBondContact NZ-O 3.41Å
409	K	87.1	Confident	88	Confident	7 Å²	7	63.4 Å²	63.4	3%	0.03	36%	0.364	C	S	.	.			trans	-125.5	126.7	174.6	77.4	-177.8	169.7	94	0	110	E390 L391 H393 S394 I395 I407 G411	E390-K409 HydrophobicContact CG-CD 4.07Å; E390-K409 WeakPolarHBondContact OE1-CE 3.26Å; E390-K409 IonicContact OE1-NZ 2.57Å; E390-K409 PolarHBondContact OE1-NZ 2.79Å; L391-K409 WeakPolarHBondContact O-CE 3.36Å; L391-K409 PolarHBondContact O-NZ 2.82Å; H393-K409 CarbonylContact C-O 3.32Å; H393-K409 PolarHBondContact O-N 3.26Å; S394-K409 WeakPolarHBondContact O-CE 3.39Å; I395-K409 HydrophobicContact CD1-CD 4.19Å; I395-K409 HydrophobicContact CG1-CD 3.67Å; I407-K409 PolarHBondContact O-N 3.06Å; K409-G411 PolarHBondContact NZ-O 2.87Å
410	P	78.3	Confident	87.9	Confident	61 Å²	61	65.2 Å²	65.2	40%	0.396	37%	0.374	S	S	.	.	S	Bend	trans	-81.1	124.4	164.4	23.8	-18.4	0	0	0	109.3	N365 H367 T368	N365-P410 PolarHBondContact ND2-O 2.84Å; H367-P410 HydrophobicContact CB-CB 4.15Å; H367-P410 HydrophobicContact CB-CG 3.65Å; H367-P410 PolarHBondContact CD2-O 2.98Å; H367-P410 VanDerWaalsContact CD2-O 3.25Å; T368-P410 HydrophobicContact CG2-CG 3.44Å; T368-P410 VanDerWaalsContact CG2-CG 3.44Å
411	G	84.4	Confident	87.9	Confident	27 Å²	27	62.4 Å²	62.4	28%	0.278	35%	0.351	S	S	.	.	S	Bend	trans	83.4	179.3	177.9	0	0	0	0	0	115.4	K409	K409-G411 PolarHBondContact NZ-O 2.87Å
412	P	87.4	Confident	88	Confident	71 Å²	71	56.2 Å²	56.2	46%	0.461	32%	0.324	S	S	.	.			trans	-69.2	151.8	172.1	30.3	-33.8	0	0	0	111.2	N365 E390	N365-P412 PolarHBondContact ND2-O 2.74Å; E390-P412 WeakPolarHBondContact OE1-CA 3.37Å
413	L	88.8	Confident	88.1	Confident	1 Å²	1	49.7 Å²	49.7	1%	0.005	29%	0.294	C	S	.	.	S	Bend	trans	-69.1	-44.5	177.1	-179.5	65	0	0	0	111.3	F323 A348 L350 L363 E390 I395	F323-L413 HydrophobicContact CB-CD2 3.93Å; F323-L413 HydrophobicContact CD1-CD2 4.43Å; F323-L413 HydrophobicContact CG-CD2 4.12Å; A348-L413 WeakPolarHBondContact CB-O 3.17Å; L350-L413 HydrophobicContact CB-CD1 4.41Å; L350-L413 HydrophobicContact CB-CD2 3.88Å; L350-L413 HydrophobicContact CD2-CD2 3.86Å; L350-L413 HydrophobicContact CG-CD2 4.35Å; L363-L413 HydrophobicContact CB-CD1 4.42Å; E390-L413 HydrophobicContact CG-CB 4.5Å; E390-L413 WeakPolarHBondContact OE1-CB 3.41Å; E390-L413 PolarHBondContact OE1-N 3.49Å; I395-L413 HydrophobicContact CD1-CD1 4.35Å; I395-L413 HydrophobicContact CD1-CD2 4.33Å
414	F	91	Very high	88.2	Confident	6 Å²	6	47.7 Å²	47.7	3%	0.026	27%	0.271	C	S	.	.	S	Bend	trans	-119.8	138.4	178.2	-57.8	-52.1	0	0	0	110.2	F323 A341 A348 L421	F323-F414 HydrophobicContact CB-CE2 4.29Å; F323-F414 AromaticContact CD2-CE2 3.75Å; F323-F414 HydrophobicContact CD2-CE2 3.75Å; F323-F414 HydrophobicContact CE2-CE2 4.48Å; F323-F414 HydrophobicContact CG-CE2 4.26Å; A341-F414 HydrophobicContact CB-CE2 4.22Å; A341-F414 HydrophobicContact CB-CZ 3.74Å; A348-F414 HydrophobicContact CB-CD1 4.18Å; F414-L421 HydrophobicContact CB-CD1 3.82Å
415	K	85.6	Confident	88.1	Confident	94 Å²	94	45.8 Å²	45.8	41%	0.409	26%	0.259	S	S	.	.			trans	-84	137.5	177.5	-75.6	-173.9	162.7	-169.9	0	111.3	E366	E366-K415 WeakPolarHBondContact OE1-CD 3.39Å; E366-K415 WeakPolarHBondContact OE1-CE 3.48Å; E366-K415 IonicContact OE1-NZ 3.92Å; E366-K415 PolarHBondContact OE1-NZ 3.37Å; E366-K415 WeakPolarHBondContact OE2-CE 3.41Å; E366-K415 IonicContact OE2-NZ 2.62Å; E366-K415 PolarHBondContact OE2-NZ 3.31Å
416	P	85.6	Confident	87.9	Confident	46 Å²	46	46.5 Å²	46.5	30%	0.299	26%	0.261	S	S	.	.			trans	-70.7	141.2	169.6	31.2	-34.6	0	0	0	110.2	E319 L420	E319-P416 HydrophobicContact CB-CB 4.21Å; E319-P416 HydrophobicContact CG-CB 3.7Å; E319-P416 HydrophobicContact CG-CG 3.73Å; E319-P416 VanDerWaalsContact OE1-CG 3.31Å; E319-P416 WeakPolarHBondContact OE1-CG 3.04Å; P416-L420 CarbonylContact C-O 3.55Å; P416-L420 VanDerWaalsContact CA-O 3.27Å; P416-L420 WeakPolarHBondContact CA-O 2.98Å
417	E	82.8	Confident	87.6	Confident	100 Å²	100	41.7 Å²	41.7	47%	0.467	24%	0.236	S	C	.	.	B	Isolated β-bridge	trans	-121.1	128.1	175.6	-164.5	178.4	-177.3	0	0	108.3	G419 L420	E417-G419 VanDerWaalsContact C-N 3.26Å; E417-G419 PolarHBondContact O-N 3.24Å; E417-L420 PolarHBondContact N-O 2.96Å; E417-L420 PolarHBondContact O-N 2.83Å; E417-L420 VanDerWaalsContact O-N 3.16Å; E417-L420 VanDerWaalsContact O-O 3.08Å
418	N	83.9	Confident	87.2	Confident	156 Å²	156	41.9 Å²	41.9	83%	0.834	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.7	36.3	-176.9	-56	-47.3	0	0	0	114.4	L420	N418-L420 VanDerWaalsContact C-N 3.3Å; N418-L420 PolarHBondContact O-N 2.82Å
419	G	85	Confident	87	Confident	42 Å²	42	37 Å²	37	43%	0.433	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.3	11.7	178.8	0	0	0	0	0	114.8	E417	E417-G419 VanDerWaalsContact C-N 3.26Å; E417-G419 PolarHBondContact O-N 3.24Å
420	L	89.3	Confident	87	Confident	52 Å²	52	37.2 Å²	37.2	27%	0.272	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	145.6	176.2	-66.9	170.2	0	0	0	110.6	R316 L317 P416 E417 N418	R316-L420 HydrophobicContact CG-CD1 4.05Å; L317-L420 WeakPolarHBondContact O-CA 3.2Å; L317-L420 WeakPolarHBondContact O-CD2 3.48Å; P416-L420 CarbonylContact C-O 3.55Å; P416-L420 VanDerWaalsContact CA-O 3.27Å; P416-L420 WeakPolarHBondContact CA-O 2.98Å; E417-L420 PolarHBondContact N-O 2.96Å; E417-L420 PolarHBondContact O-N 2.83Å; E417-L420 VanDerWaalsContact O-N 3.16Å; E417-L420 VanDerWaalsContact O-O 3.08Å; N418-L420 VanDerWaalsContact C-N 3.3Å; N418-L420 PolarHBondContact O-N 2.82Å
421	L	89.5	Confident	87.4	Confident	4 Å²	4	35.9 Å²	35.9	2%	0.021	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	113.5	169.7	-170.4	73.3	0	0	0	108.9	R316 L317 S321 F414 M456	R316-L421 WeakPolarHBondContact CA-O 3.3Å; L317-L421 HydrophobicContact CB-CB 4.47Å; L317-L421 PolarHBondContact N-O 3.12Å; L317-L421 PolarHBondContact O-N 3.4Å; S321-L421 WeakPolarHBondContact O-CD2 3.46Å; F414-L421 HydrophobicContact CB-CD1 3.82Å; L421-M456 HydrophobicContact CD2-CE 3.97Å
422	E	91	Very high	87.2	Confident	34 Å²	34	43 Å²	43	16%	0.159	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	123.5	172.6	-59.8	-158.6	171.6	0	0	111.1	K314 F315 R316 I344	K314-E422 WeakPolarHBondContact CE-OE2 3.1Å; K314-E422 IonicContact NZ-OE2 2.88Å; K314-E422 PolarHBondContact NZ-OE2 3.35Å; F315-E422 WeakPolarHBondContact O-CA 3.13Å; R316-E422 HydrophobicContact CB-CG 4.37Å; R316-E422 WeakPolarHBondContact CD-OE1 3.29Å; R316-E422 HydrophobicContact CG-CG 4.05Å; R316-E422 IonicContact CZ-OE1 3.15Å; R316-E422 IonicContact NE-OE1 2.9Å; R316-E422 PolarHBondContact NE-OE1 2.72Å; I344-E422 HydrophobicContact CD1-CB 3.3Å; I344-E422 HydrophobicContact CD1-CG 4.11Å; I344-E422 WeakPolarHBondContact CD1-OE2 3.4Å; I344-E422 HydrophobicContact CG1-CB 4Å
423	T	90.8	Very high	86.8	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	151.7	-179.9	-177.5	0	0	0	0	111.3	F315 E342 M456	F315-T423 HydrophobicContact CB-CG2 3.92Å; F315-T423 HydrophobicContact CD2-CG2 4.39Å; F315-T423 PolarHBondContact N-O 3.5Å; F315-T423 PolarHBondContact O-N 2.97Å; F315-T423 VanDerWaalsContact O-N 3.13Å; E342-T423 WeakPolarHBondContact O-CA 3.32Å; E342-T423 PolarHBondContact O-OG1 3.03Å; T423-M456 HydrophobicContact CG2-CE 4.09Å; T423-M456 HydrophobicContact CG2-SD 4.5Å
424	K	91.3	Very high	86.5	Confident	35 Å²	35	48.5 Å²	48.5	15%	0.152	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	128.2	179	-71.4	179.8	-178	162.3	0	108.7	Y312 L313 A341 E342 Y426	Y312-K424 HydrophobicContact CE2-CB 3.68Å; Y312-K424 HydrophobicContact CE2-CD 3.86Å; Y312-K424 HydrophobicContact CE2-CG 3.63Å; Y312-K424 WeakPolarHBondContact OH-CG 3.4Å; L313-K424 CarbonylContact O-C 3.59Å; L313-K424 WeakPolarHBondContact O-CA 3.3Å; A341-K424 CarbonylContact C-O 3.57Å; A341-K424 WeakPolarHBondContact CA-O 3.35Å; E342-K424 HydrophobicContact CG-CB 3.76Å; E342-K424 HydrophobicContact CG-CD 4.19Å; E342-K424 PolarHBondContact N-O 3.47Å; E342-K424 PolarHBondContact O-N 2.84Å; E342-K424 WeakPolarHBondContact OE1-CD 3.36Å; E342-K424 IonicContact OE1-NZ 3.48Å; K424-Y426 HydrophobicContact CB-CD2 4.47Å; K424-Y426 HydrophobicContact CB-CE2 3.73Å; K424-Y426 HydrophobicContact CD-CE2 4.4Å
425	V	90.5	Very high	86.1	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	126.8	177.8	-177.4	0	0	0	0	109.3	Y312 L313 F315 L339 Y340 A341 F427 L455	Y312-V425 CarbonylContact C-O 3.54Å; Y312-V425 WeakPolarHBondContact CA-O 3.45Å; L313-V425 PolarHBondContact N-O 3.02Å; L313-V425 PolarHBondContact O-N 3.49Å; F315-V425 HydrophobicContact CD2-CG2 3.9Å; F315-V425 HydrophobicContact CE2-CB 4.05Å; F315-V425 HydrophobicContact CE2-CG2 3.74Å; L339-V425 HydrophobicContact CD1-CG1 3.7Å; L339-V425 HydrophobicContact CD2-CG1 3.95Å; L339-V425 HydrophobicContact CG-CG1 3.72Å; Y340-V425 CarbonylContact O-C 3.46Å; Y340-V425 WeakPolarHBondContact O-CA 3.43Å; A341-V425 HydrophobicContact CB-CG2 4.12Å; V425-F427 HydrophobicContact CG1-CE2 4.48Å; V425-L455 HydrophobicContact CG1-CD1 4.1Å
426	Y	88.9	Confident	85.9	Confident	28 Å²	28	54.2 Å²	54.2	11%	0.11	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	124.3	-178	-63.9	-88.1	0	0	0	108.1	V309 L311 Y312 L339 Y340 E342 K424 P431	V309-Y426 HydrophobicContact CB-CD1 3.97Å; V309-Y426 HydrophobicContact CG1-CD1 3.73Å; V309-Y426 HydrophobicContact CG1-CG 4.12Å; V309-Y426 HydrophobicContact CG2-CD1 3.63Å; V309-Y426 HydrophobicContact CG2-CE1 4.37Å; V309-Y426 HydrophobicContact CG2-CG 4.3Å; L311-Y426 WeakPolarHBondContact O-CA 3.17Å; Y312-Y426 AromaticContact CD2-CD1 3.6Å; Y312-Y426 HydrophobicContact CD2-CD1 3.6Å; Y312-Y426 HydrophobicContact CD2-CD2 4.36Å; Y312-Y426 AromaticContact CD2-CE1 3.17Å; Y312-Y426 HydrophobicContact CD2-CE1 3.17Å; Y312-Y426 AromaticContact CD2-CE2 3.99Å; Y312-Y426 HydrophobicContact CD2-CE2 3.99Å; Y312-Y426 HydrophobicContact CD2-CG 4.21Å; Y312-Y426 AromaticContact CD2-CZ 3.39Å; Y312-Y426 AromaticContact CE2-CE1 3.78Å; Y312-Y426 HydrophobicContact CE2-CE1 3.78Å; Y312-Y426 HydrophobicContact CE2-CE2 4.06Å; Y312-Y426 AromaticContact CE2-CZ 3.5Å; Y312-Y426 VanDerWaalsContact CE2-CZ 3.5Å; Y312-Y426 WeakPolarHBondContact CE2-OH 3.42Å; Y312-Y426 HydrophobicContact CG-CD1 4.26Å; Y312-Y426 AromaticContact CG-CE1 3.95Å; Y312-Y426 HydrophobicContact CG-CE1 3.95Å; L339-Y426 CarbonylContact C-O 3.34Å; L339-Y426 WeakPolarHBondContact CA-O 3.21Å; Y340-Y426 AromaticContact CD1-CD2 3.69Å; Y340-Y426 HydrophobicContact CD1-CD2 3.69Å; Y340-Y426 HydrophobicContact CD1-CE2 4.36Å; Y340-Y426 HydrophobicContact CD1-CG 4.37Å; Y340-Y426 HydrophobicContact CE1-CD2 4.27Å; Y340-Y426 PolarHBondContact N-O 3.19Å; Y340-Y426 PolarHBondContact O-N 2.94Å; E342-Y426 HydrophobicContact CG-CE2 3.95Å; E342-Y426 WeakPolarHBondContact OE1-CE2 3.11Å; E342-Y426 PolarHBondContact OE1-OH 2.85Å; K424-Y426 HydrophobicContact CB-CD2 4.47Å; K424-Y426 HydrophobicContact CB-CE2 3.73Å; K424-Y426 HydrophobicContact CD-CE2 4.4Å; Y426-P431 HydrophobicContact CD1-CG 4.31Å; Y426-P431 HydrophobicContact CD2-CG 4.36Å; Y426-P431 HydrophobicContact CE1-CG 3.79Å; Y426-P431 HydrophobicContact CE2-CG 3.84Å
427	F	86.5	Confident	85.9	Confident	2 Å²	2	56.4 Å²	56.4	1%	0.009	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	140.6	173.7	-78.1	-88.3	0	0	0	111.1	V309 V310 L311 L313 L339 V425 G429 I450 L455	V309-F427 WeakPolarHBondContact CG1-O 3.23Å; V310-F427 PolarHBondContact N-O 3.41Å; L311-F427 HydrophobicContact CB-CB 4.2Å; L311-F427 HydrophobicContact CB-CD2 4.13Å; L311-F427 HydrophobicContact CD2-CD2 3.89Å; L311-F427 HydrophobicContact CD2-CE2 4.11Å; L311-F427 HydrophobicContact CG-CD2 4.35Å; L311-F427 PolarHBondContact O-N 2.8Å; L313-F427 HydrophobicContact CD1-CE2 3.94Å; L339-F427 HydrophobicContact CD1-CE1 4.12Å; L339-F427 HydrophobicContact CD1-CZ 4.33Å; V425-F427 HydrophobicContact CG1-CE2 4.48Å; F427-G429 VanDerWaalsContact C-N 3.3Å; F427-G429 PolarHBondContact O-N 2.67Å; F427-I450 HydrophobicContact CD1-CD1 4.11Å; F427-I450 HydrophobicContact CE1-CD1 4.22Å; F427-L455 HydrophobicContact CE2-CD1 3.49Å; F427-L455 VanDerWaalsContact CE2-CD1 3.49Å; F427-L455 HydrophobicContact CZ-CD1 3.42Å; F427-L455 VanDerWaalsContact CZ-CD1 3.42Å; F427-L455 HydrophobicContact CZ-CD2 4.32Å; F427-L455 HydrophobicContact CZ-CG 4.13Å
428	A	83.3	Confident	86.3	Confident	8 Å²	8	52.3 Å²	52.3	7%	0.066	27%	0.268	C	S	.	.	S	Bend	trans	52.3	46.3	173.3	0	0	0	0	0	114.1	L302 V310 V337 I338	L302-A428 HydrophobicContact CB-CB 3.65Å; L302-A428 HydrophobicContact CD2-CB 4.06Å; L302-A428 HydrophobicContact CG-CB 4.29Å; L302-A428 WeakPolarHBondContact O-CB 3.4Å; V310-A428 HydrophobicContact CB-CB 4.08Å; V310-A428 HydrophobicContact CG2-CB 3.67Å; V337-A428 WeakPolarHBondContact O-CA 2.82Å; I338-A428 PolarHBondContact O-N 2.9Å
429	G	86.8	Confident	86.7	Confident	2 Å²	2	48 Å²	48	2%	0.021	24%	0.244	C	C	.	.			trans	151.9	-178	178.6	0	0	0	0	0	112.2	F427	F427-G429 VanDerWaalsContact C-N 3.3Å; F427-G429 PolarHBondContact O-N 2.67Å
430	F	86.8	Confident	87.1	Confident	13 Å²	13	50.2 Å²	50.2	6%	0.057	24%	0.242	C	C	.	.			trans	-147.3	160.9	177	48.6	-104	0	0	0	109.5	V337 Y340 L351 R432 V434 E435 L438 I442 P444	V337-F430 HydrophobicContact CG1-CD1 4.38Å; V337-F430 HydrophobicContact CG2-CD1 3.97Å; V337-F430 HydrophobicContact CG2-CE1 3.77Å; Y340-F430 HydrophobicContact CD1-CB 3.66Å; Y340-F430 HydrophobicContact CD2-CB 4.13Å; Y340-F430 HydrophobicContact CE1-CB 4.26Å; Y340-F430 HydrophobicContact CG-CB 3.6Å; L351-F430 HydrophobicContact CD1-CD1 4.17Å; F430-R432 PolarHBondContact O-N 3.39Å; F430-V434 HydrophobicContact CD2-CB 4.14Å; F430-V434 HydrophobicContact CD2-CG1 4.46Å; F430-E435 HydrophobicContact CE2-CB 3.8Å; F430-E435 HydrophobicContact CE2-CG 4.05Å; F430-E435 HydrophobicContact CZ-CB 4.49Å; F430-E435 HydrophobicContact CZ-CG 4.29Å; F430-L438 HydrophobicContact CD1-CD1 4.42Å; F430-L438 HydrophobicContact CE1-CD1 3.7Å; F430-L438 HydrophobicContact CE2-CD1 4.32Å; F430-L438 HydrophobicContact CZ-CD1 3.66Å; F430-I442 HydrophobicContact CE1-CG2 4.16Å; F430-P444 HydrophobicContact CD1-CB 4.48Å; F430-P444 HydrophobicContact CE1-CB 3.9Å; F430-P444 HydrophobicContact CZ-CB 4.21Å; F430-P444 HydrophobicContact CZ-CG 4.38Å
431	P	85.4	Confident	87.3	Confident	32 Å²	32	52 Å²	52	21%	0.208	26%	0.257	C	S	.	.			trans	-58.8	135.9	175.9	-22.7	33.2	0	0	0	112	Y426 K433 V434	Y426-P431 HydrophobicContact CD1-CG 4.31Å; Y426-P431 HydrophobicContact CD2-CG 4.36Å; Y426-P431 HydrophobicContact CE1-CG 3.79Å; Y426-P431 HydrophobicContact CE2-CG 3.84Å; P431-K433 PolarHBondContact O-N 3Å; P431-V434 HydrophobicContact CB-CG2 4.17Å; P431-V434 HydrophobicContact CG-CG2 4.36Å; P431-V434 VanDerWaalsContact O-CB 3.29Å; P431-V434 WeakPolarHBondContact O-CB 3.43Å; P431-V434 PolarHBondContact O-N 3.43Å
432	R	80.2	Confident	87.3	Confident	176 Å²	176	52.3 Å²	52.3	66%	0.664	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-50.7	-31.4	-176.2	-71.8	-176.6	174.4	177.4	-7.7	115.2	F430 V434 E435	F430-R432 PolarHBondContact O-N 3.39Å; R432-V434 PolarHBondContact O-N 3.11Å; R432-E435 PolarHBondContact O-N 2.99Å
433	K	80.4	Confident	87.2	Confident	182 Å²	182	52.1 Å²	52.1	79%	0.791	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-64	-24.9	178.3	-63.4	-178.3	179.7	-178.9	0	113.1	P431	P431-K433 PolarHBondContact O-N 3Å
434	V	82.6	Confident	87.1	Confident	7 Å²	7	54 Å²	54	4%	0.042	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-80	-19.8	-176.4	179.2	0	0	0	0	111.9	Y340 F430 P431 R432 S436 E437 L438	Y340-V434 HydrophobicContact CE1-CG1 4.32Å; Y340-V434 HydrophobicContact CE1-CG2 4.16Å; Y340-V434 HydrophobicContact CE2-CG1 3.73Å; Y340-V434 WeakPolarHBondContact OH-CG1 3.06Å; F430-V434 HydrophobicContact CD2-CB 4.14Å; F430-V434 HydrophobicContact CD2-CG1 4.46Å; P431-V434 HydrophobicContact CB-CG2 4.17Å; P431-V434 HydrophobicContact CG-CG2 4.36Å; P431-V434 VanDerWaalsContact O-CB 3.29Å; P431-V434 WeakPolarHBondContact O-CB 3.43Å; P431-V434 PolarHBondContact O-N 3.43Å; R432-V434 PolarHBondContact O-N 3.11Å; V434-S436 PolarHBondContact O-N 3.04Å; V434-S436 VanDerWaalsContact O-N 3.15Å; V434-E437 WeakPolarHBondContact O-CA 3.13Å; V434-E437 WeakPolarHBondContact O-CB 3.27Å; V434-E437 PolarHBondContact O-N 2.04Å; V434-L438 HydrophobicContact CG1-CD2 3.99Å; V434-L438 HydrophobicContact CG1-CG 4.45Å; V434-L438 PolarHBondContact O-N 3.01Å
435	E	81.8	Confident	86.9	Confident	109 Å²	109	55.3 Å²	55.3	51%	0.509	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-55.1	-40.7	-173.7	-164.4	172.6	177.2	0	0	112.8	F430 R432 E437	F430-E435 HydrophobicContact CE2-CB 3.8Å; F430-E435 HydrophobicContact CE2-CG 4.05Å; F430-E435 HydrophobicContact CZ-CB 4.49Å; F430-E435 HydrophobicContact CZ-CG 4.29Å; R432-E435 PolarHBondContact O-N 2.99Å; E435-E437 VanDerWaalsContact C-N 3.31Å; E435-E437 PolarHBondContact O-N 2.79Å
436	S	82.4	Confident	86.9	Confident	111 Å²	111	55.4 Å²	55.4	78%	0.776	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-77.7	-11.5	176.6	52.3	0	0	0	0	114.6	V434	V434-S436 PolarHBondContact O-N 3.04Å; V434-S436 VanDerWaalsContact O-N 3.15Å
437	E	85.6	Confident	87.1	Confident	92 Å²	92	54.2 Å²	54.2	43%	0.43	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-97.6	-12	-178.3	-60.6	-169.3	-176.6	0	0	113.5	W349 V434 E435	W349-E437 WeakPolarHBondContact CZ2-O 3.48Å; V434-E437 WeakPolarHBondContact O-CA 3.13Å; V434-E437 WeakPolarHBondContact O-CB 3.27Å; V434-E437 PolarHBondContact O-N 2.04Å; E435-E437 VanDerWaalsContact C-N 3.31Å; E435-E437 PolarHBondContact O-N 2.79Å
438	L	90.3	Very high	87.4	Confident	14 Å²	14	54.3 Å²	54.3	7%	0.073	27%	0.272	C	S	.	.	S	Bend	trans	-61.2	142.4	176.1	-65.1	-177	0	0	0	110.9	W349 L351 F430 V434 K440 I442	W349-L438 HydrophobicContact CH2-CD2 4.04Å; W349-L438 HydrophobicContact CZ2-CD2 4.47Å; W349-L438 HydrophobicContact CZ3-CD2 4.13Å; L351-L438 HydrophobicContact CD2-CD1 4.2Å; L351-L438 HydrophobicContact CD2-CD2 3.94Å; F430-L438 HydrophobicContact CD1-CD1 4.42Å; F430-L438 HydrophobicContact CE1-CD1 3.7Å; F430-L438 HydrophobicContact CE2-CD1 4.32Å; F430-L438 HydrophobicContact CZ-CD1 3.66Å; V434-L438 HydrophobicContact CG1-CD2 3.99Å; V434-L438 HydrophobicContact CG1-CG 4.45Å; V434-L438 PolarHBondContact O-N 3.01Å; L438-K440 VanDerWaalsContact C-N 3.26Å; L438-K440 PolarHBondContact O-N 3.47Å; L438-I442 HydrophobicContact CD1-CG2 4.03Å
439	I	93	Very high	87.8	Confident	65 Å²	65	54.1 Å²	54.1	33%	0.333	27%	0.27	S	S	.	.	S	Bend	trans	-62	-41.9	177.1	-61	165.9	0	0	0	109.7	W349 Q362 S369 K370 I371	W349-I439 HydrophobicContact CH2-CD1 4.11Å; W349-I439 HydrophobicContact CH2-CG1 3.88Å; W349-I439 HydrophobicContact CZ2-CG1 4.26Å; Q362-I439 HydrophobicContact CB-CD1 4.29Å; S369-I439 WeakPolarHBondContact OG-CD1 2.88Å; S369-I439 VanDerWaalsContact OG-CG1 3.29Å; S369-I439 WeakPolarHBondContact OG-CG1 3.33Å; K370-I439 VanDerWaalsContact O-CD1 3.3Å; K370-I439 WeakPolarHBondContact O-CD1 3.41Å; I371-I439 HydrophobicContact CB-CG2 4.41Å; I371-I439 HydrophobicContact CG2-CG2 4.21Å
440	K	93.7	Very high	88.1	Confident	88 Å²	88	54 Å²	54	38%	0.383	27%	0.269	S	S	.	.	S	Bend	trans	-133.8	120.7	175.7	-173.7	-178.9	178.8	-175.6	0	109.5	Q362 I371 L438	Q362-K440 PolarHBondContact NE2-O 2.86Å; Q362-K440 PolarHBondContact OE1-O 3.44Å; I371-K440 HydrophobicContact CD1-CB 3.7Å; I371-K440 HydrophobicContact CD1-CD 3.8Å; I371-K440 HydrophobicContact CD1-CG 4.43Å; L438-K440 VanDerWaalsContact C-N 3.26Å; L438-K440 PolarHBondContact O-N 3.47Å
441	P	92.1	Very high	88.2	Confident	91 Å²	91	57.4 Å²	57.4	59%	0.591	28%	0.282	S	S	*	.			trans	-56	150.2	177.5	-26.5	34.7	0	0	0	113	R355	R355-P441 PolarHBondContact NH1-O 3.07Å; R355-P441 PolarHBondContact NH2-O 3.25Å
442	I	90.6	Very high	88.4	Confident	10 Å²	10	59.7 Å²	59.7	5%	0.051	30%	0.298	C	S	.	.			trans	-150.7	140	179.2	-170.6	158.3	0	0	0	109.7	Q335 V337 L351 A353 L354 F430 L438 P444	Q335-I442 HydrophobicContact CG-CD1 3.79Å; Q335-I442 HydrophobicContact CG-CG1 3.6Å; V337-I442 HydrophobicContact CG2-CG2 3.79Å; L351-I442 HydrophobicContact CD2-CG2 4.28Å; A353-I442 HydrophobicContact CB-CD1 3.63Å; L354-I442 WeakPolarHBondContact O-CD1 3.49Å; F430-I442 HydrophobicContact CE1-CG2 4.16Å; L438-I442 HydrophobicContact CD1-CG2 4.03Å; I442-P444 VanDerWaalsContact O-CD 3.32Å; I442-P444 WeakPolarHBondContact O-CD 3.48Å
443	N	88.3	Confident	88.7	Confident	30 Å²	30	52.1 Å²	52.1	16%	0.16	27%	0.27	C	S	.	.			trans	-68.2	117.8	166.8	-173.6	-17.9	0	0	0	107.7	R445 D652 E653	N443-R445 VanDerWaalsContact C-N 3.25Å; N443-R445 PolarHBondContact O-N 3.26Å; N443-R445 WeakPolarHBondContact OD1-CB 3.34Å; N443-R445 WeakPolarHBondContact OD1-CD 3.3Å; N443-R445 VanDerWaalsContact OD1-CG 3.26Å; N443-R445 WeakPolarHBondContact OD1-CG 3.18Å; N443-R445 PolarHBondContact OD1-N 3.09Å; N443-D652 PolarHBondContact ND2-O 3.33Å; N443-E653 PolarHBondContact ND2-OE1 3.05Å
444	P	88.5	Confident	89.2	Confident	39 Å²	39	45.7 Å²	45.7	25%	0.253	24%	0.244	S	C	.	.			trans	-74	-15.1	-174	29.3	-35	0	0	0	114	V337 F430 I442 L446	V337-P444 HydrophobicContact CB-CB 4.28Å; V337-P444 HydrophobicContact CG2-CB 4.06Å; V337-P444 PolarHBondContact N-O 2.03Å; V337-P444 VanDerWaalsContact N-O 3.16Å; F430-P444 HydrophobicContact CD1-CB 4.48Å; F430-P444 HydrophobicContact CE1-CB 3.9Å; F430-P444 HydrophobicContact CZ-CB 4.21Å; F430-P444 HydrophobicContact CZ-CG 4.38Å; I442-P444 VanDerWaalsContact O-CD 3.32Å; I442-P444 WeakPolarHBondContact O-CD 3.48Å; P444-L446 PolarHBondContact O-N 3.44Å
445	R	87.8	Confident	89.5	Confident	62 Å²	62	45.4 Å²	45.4	23%	0.234	24%	0.242	C	C	.	.			trans	-58.8	133.9	-177.9	-64.7	170.2	-169	-177.5	3.1	110	F306 G336 N443 D652 A654	F306-R445 VanDerWaalsContact CE1-CZ 3.49Å; G336-R445 WeakPolarHBondContact CA-O 3.42Å; N443-R445 VanDerWaalsContact C-N 3.25Å; N443-R445 PolarHBondContact O-N 3.26Å; N443-R445 WeakPolarHBondContact OD1-CB 3.34Å; N443-R445 WeakPolarHBondContact OD1-CD 3.3Å; N443-R445 VanDerWaalsContact OD1-CG 3.26Å; N443-R445 WeakPolarHBondContact OD1-CG 3.18Å; N443-R445 PolarHBondContact OD1-N 3.09Å; R445-D652 HydrophobicContact CB-CB 3.93Å; R445-D652 WeakPolarHBondContact CD-O 3.37Å; R445-D652 PolarHBondContact NH1-O 3.33Å; R445-A654 PolarHBondContact NH1-O 3.43Å
446	L	90.8	Very high	89.9	Confident	2 Å²	2	40.5 Å²	40.5	1%	0.01	22%	0.22	C	C	.	.			trans	-149.6	103.8	-177.9	-175.4	62.2	0	0	0	111.3	L302 A303 F329 D333 V337 I338 P444 G448	L302-L446 CarbonylContact C-O 3.51Å; L302-L446 VanDerWaalsContact C-O 3.22Å; L302-L446 WeakPolarHBondContact CB-O 3.28Å; L302-L446 HydrophobicContact CD1-CD2 3.62Å; L302-L446 HydrophobicContact CD1-CG 4.27Å; A303-L446 WeakPolarHBondContact CA-O 3.27Å; A303-L446 WeakPolarHBondContact CB-O 3.46Å; A303-L446 PolarHBondContact N-O 2.91Å; F329-L446 HydrophobicContact CE2-CD2 3.94Å; F329-L446 HydrophobicContact CZ-CD1 4.28Å; F329-L446 HydrophobicContact CZ-CD2 3.92Å; F329-L446 HydrophobicContact CZ-CG 4.48Å; D333-L446 HydrophobicContact CB-CD1 3.72Å; D333-L446 VanDerWaalsContact OD2-CA 3.24Å; D333-L446 WeakPolarHBondContact OD2-CA 3.21Å; V337-L446 VanDerWaalsContact O-CD2 3.23Å; V337-L446 WeakPolarHBondContact O-CD2 3.22Å; I338-L446 HydrophobicContact CB-CD2 4.44Å; I338-L446 HydrophobicContact CG1-CD2 3.67Å; P444-L446 PolarHBondContact O-N 3.44Å; L446-G448 PolarHBondContact O-N 2.02Å
447	D	92.8	Very high	90.1	Very high	4 Å²	4	42.6 Å²	42.6	2%	0.021	21%	0.214	C	C	.	.			trans	-72.2	70.1	165	-172.6	17.6	0	0	0	110.5	Y301 A303 T331 D333 A663 H664 S665	Y301-D447 WeakPolarHBondContact CE2-OD1 3.35Å; Y301-D447 VanDerWaalsContact CZ-OD1 3.28Å; Y301-D447 PolarHBondContact OH-OD1 3.16Å; A303-D447 HydrophobicContact CB-CB 4.25Å; T331-D447 PolarHBondContact OG1-O 3.49Å; D333-D447 WeakPolarHBondContact OD1-CB 3.4Å; D333-D447 PolarHBondContact OD2-N 3.1Å; D447-A663 HydrophobicContact CB-CB 4.22Å; D447-A663 PolarHBondContact OD2-N 3.19Å; D447-H664 PolarHBondContact OD2-N 3.15Å; D447-S665 PolarHBondContact OD1-OG 2.92Å; D447-S665 WeakPolarHBondContact OD2-CB 3.23Å; D447-S665 PolarHBondContact OD2-N 2.89Å; D447-S665 PolarHBondContact OD2-OG 3.17Å
448	G	92.1	Very high	90.2	Very high	3 Å²	3	43.2 Å²	43.2	3%	0.031	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	167.3	-178.5	0	0	0	0	0	113	Y301 L302 R330 L446	Y301-G448 WeakPolarHBondContact CD2-O 3.48Å; L302-G448 WeakPolarHBondContact CB-O 3.47Å; L302-G448 PolarHBondContact N-O 3.42Å; R330-G448 WeakPolarHBondContact O-CA 3.02Å; L446-G448 PolarHBondContact O-N 2.02Å
449	C	92.5	Very high	89.7	Confident	5 Å²	5	44 Å²	44	3%	0.034	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	136.8	176.6	-164.8	0	0	0	0	111.5	L300 F329 R330 W383 C475	L300-C449 WeakPolarHBondContact O-CA 3.39Å; F329-C449 WeakPolarHBondContact CA-O 3.42Å; R330-C449 HydrophobicContact CG-CB 3.86Å; R330-C449 PolarHBondContact N-O 3.23Å; R330-C449 PolarHBondContact O-N 2.78Å; W383-C449 HydrophobicContact CH2-CB 4.02Å; W383-C449 WeakPolarHBondContact CZ3-O 3.02Å; C449-C475 WeakPolarHBondContact CA-SG 3.02Å; C449-C475 HydrophobicContact CB-CB 3.82Å; C449-C475 WeakPolarHBondContact CB-SG 3.49Å; C449-C475 WeakPolarHBondContact SG-CB 3.41Å; C449-C475 CovalentContact SG-SG 2.02Å; C449-C475 PolarHBondContact SG-SG 2.03Å
450	I	91.8	Very high	88.6	Confident	0 Å²	0	43 Å²	43	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	145.2	177.2	-63.9	179.2	0	0	0	110.9	L300 L302 F327 D328 F329 I338 F427 W453	L300-I450 PolarHBondContact N-O 3.44Å; L300-I450 PolarHBondContact O-N 2.68Å; L302-I450 HydrophobicContact CD1-CD1 3.67Å; L302-I450 HydrophobicContact CD1-CG1 3.75Å; L302-I450 HydrophobicContact CD2-CB 4.33Å; L302-I450 HydrophobicContact CD2-CD1 3.58Å; L302-I450 HydrophobicContact CD2-CG1 3.83Å; L302-I450 HydrophobicContact CG-CD1 4.13Å; L302-I450 HydrophobicContact CG-CG1 4.06Å; F327-I450 HydrophobicContact CB-CG2 3.73Å; F327-I450 HydrophobicContact CD2-CD1 4.25Å; F327-I450 HydrophobicContact CD2-CG1 4.39Å; F327-I450 HydrophobicContact CD2-CG2 4.24Å; F327-I450 HydrophobicContact CE2-CD1 4.47Å; F327-I450 HydrophobicContact CG-CG2 4.2Å; D328-I450 CarbonylContact O-C 3.57Å; D328-I450 VanDerWaalsContact O-CA 3.26Å; D328-I450 WeakPolarHBondContact O-CA 3.31Å; F329-I450 HydrophobicContact CD2-CG1 3.88Å; I338-I450 HydrophobicContact CG2-CD1 3.85Å; F427-I450 HydrophobicContact CD1-CD1 4.11Å; F427-I450 HydrophobicContact CE1-CD1 4.22Å; I450-W453 HydrophobicContact CG2-CE3 4.26Å
451	R	90.6	Very high	87	Confident	84 Å²	84	44 Å²	44	32%	0.317	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	176.7	167.5	71.5	-179.7	-171.3	-173.3	-1.1	110.9	E298 L299 D328 W383 W453	E298-R451 WeakPolarHBondContact O-CB 3.47Å; L299-R451 HydrophobicContact CD2-CB 3.86Å; L299-R451 HydrophobicContact CD2-CG 4.38Å; D328-R451 HydrophobicContact CB-CG 3.48Å; D328-R451 VanDerWaalsContact CB-CG 3.48Å; D328-R451 PolarHBondContact N-O 3.43Å; D328-R451 PolarHBondContact O-N 2.92Å; D328-R451 IonicContact OD2-CZ 2.79Å; D328-R451 IonicContact OD2-NE 3.88Å; D328-R451 PolarHBondContact OD2-NE 3.17Å; D328-R451 IonicContact OD2-NH2 3.91Å; D328-R451 PolarHBondContact OD2-NH2 2.85Å; W383-R451 HydrophobicContact CE3-CG 4.14Å; W383-R451 HydrophobicContact CH2-CB 4.15Å; W383-R451 HydrophobicContact CH2-CG 3.8Å; W383-R451 HydrophobicContact CZ2-CG 4.41Å; W383-R451 HydrophobicContact CZ3-CB 4.29Å; W383-R451 HydrophobicContact CZ3-CG 3.66Å; R451-W453 PolarHBondContact O-N 3.46Å; R451-W453 VanDerWaalsContact O-N 3.16Å
452	S	88.4	Confident	85.7	Confident	80 Å²	80	41.5 Å²	41.5	56%	0.559	24%	0.24	S	C	*	.	E	Extended strand (participates in β ladder)	trans	52.9	38.8	172.1	-53.2	0	0	0	0	113.6
453	W	87.1	Confident	84.7	Confident	16 Å²	16	41.5 Å²	41.5	6%	0.061	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	143.4	-175.4	58.3	81.4	0	0	0	112.4	L300 E326 F327 I450 R451 I463 I467	L300-W453 HydrophobicContact CB-CZ3 4.3Å; E326-W453 CarbonylContact O-C 3.58Å; E326-W453 VanDerWaalsContact O-CA 3.25Å; E326-W453 WeakPolarHBondContact O-CA 3.38Å; F327-W453 HydrophobicContact CB-CB 4.14Å; I450-W453 HydrophobicContact CG2-CE3 4.26Å; R451-W453 PolarHBondContact O-N 3.46Å; R451-W453 VanDerWaalsContact O-N 3.16Å; W453-I463 HydrophobicContact CZ2-CB 4.13Å; W453-I463 HydrophobicContact CZ2-CG2 3.58Å; W453-I467 HydrophobicContact CH2-CD1 3.14Å; W453-I467 HydrophobicContact CZ2-CD1 3.41Å; W453-I467 VanDerWaalsContact CZ2-CD1 3.41Å; W453-I467 HydrophobicContact CZ3-CD1 3.87Å
454	N	89.9	Confident	83.8	Confident	47 Å²	47	43.9 Å²	43.9	25%	0.251	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	105.5	170.3	-179.6	13.4	0	0	0	108.2	E326 K457 G459	E326-N454 HydrophobicContact CB-CB 4.41Å; E326-N454 PolarHBondContact N-O 2.87Å; E326-N454 PolarHBondContact O-N 3.46Å; N454-K457 WeakPolarHBondContact OD1-CA 3.4Å; N454-G459 WeakPolarHBondContact OD1-CA 3.03Å; N454-G459 PolarHBondContact OD1-N 3.28Å
455	L	89.6	Confident	83.1	Confident	2 Å²	2	46.5 Å²	46.5	1%	0.01	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	138.6	-179.9	-67.7	-177.2	0	0	0	110.6	L313 F315 A325 L339 V425 F427 K457 Q458	L313-L455 HydrophobicContact CD1-CD1 3.82Å; F315-L455 HydrophobicContact CE1-CB 4.4Å; F315-L455 HydrophobicContact CE2-CD1 4.31Å; F315-L455 HydrophobicContact CZ-CB 3.79Å; F315-L455 HydrophobicContact CZ-CD1 4.04Å; A325-L455 HydrophobicContact CB-CD2 3.56Å; L339-L455 HydrophobicContact CD1-CD2 3.9Å; V425-L455 HydrophobicContact CG1-CD1 4.1Å; F427-L455 HydrophobicContact CE2-CD1 3.49Å; F427-L455 VanDerWaalsContact CE2-CD1 3.49Å; F427-L455 HydrophobicContact CZ-CD1 3.42Å; F427-L455 VanDerWaalsContact CZ-CD1 3.42Å; F427-L455 HydrophobicContact CZ-CD2 4.32Å; F427-L455 HydrophobicContact CZ-CG 4.13Å; L455-K457 PolarHBondContact O-N 3.19Å; L455-Q458 PolarHBondContact O-N 2.78Å
456	M	89.4	Confident	82.3	Confident	6 Å²	6	46.7 Å²	46.7	3%	0.03	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	51	27.7	176.6	-55.6	-60.4	-70.7	0	0	113.6	F315 L317 F323 S324 L421 T423 Q458	F315-M456 HydrophobicContact CD1-CB 4.04Å; F315-M456 HydrophobicContact CD1-CG 3.95Å; F315-M456 HydrophobicContact CD2-CG 4.15Å; F315-M456 HydrophobicContact CE1-CB 4.19Å; F315-M456 HydrophobicContact CE1-CG 4.16Å; F315-M456 HydrophobicContact CE2-CG 4.34Å; F315-M456 HydrophobicContact CG-CB 4.5Å; F315-M456 HydrophobicContact CG-CG 3.95Å; F315-M456 HydrophobicContact CZ-CG 4.35Å; L317-M456 HydrophobicContact CD1-CB 3.59Å; L317-M456 HydrophobicContact CD1-CE 3.65Å; L317-M456 HydrophobicContact CD1-CG 4.09Å; F323-M456 HydrophobicContact CB-SD 4.43Å; F323-M456 HydrophobicContact CD2-SD 3.61Å; F323-M456 HydrophobicContact CE2-SD 4.23Å; F323-M456 HydrophobicContact CG-SD 4.3Å; S324-M456 PolarHBondContact O-N 3.39Å; L421-M456 HydrophobicContact CD2-CE 3.97Å; T423-M456 HydrophobicContact CG2-CE 4.09Å; T423-M456 HydrophobicContact CG2-SD 4.5Å; M456-Q458 HydrophobicContact CB-CG 4.17Å; M456-Q458 PolarHBondContact O-N 3.29Å; M456-Q458 PolarHBondContact O-NE2 3.07Å
457	K	87.9	Confident	81.4	Confident	154 Å²	154	46.8 Å²	46.8	67%	0.67	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	55	27.9	-173.8	-56.1	-177.4	177.5	-178.8	0	114.1	N454 L455	N454-K457 WeakPolarHBondContact OD1-CA 3.4Å; L455-K457 PolarHBondContact O-N 3.19Å
458	Q	86.3	Confident	80.5	Confident	105 Å²	105	50.8 Å²	50.8	49%	0.491	28%	0.281	S	S	.	.			trans	-92.4	-1.4	178	-57.9	-52.6	-64.8	0	0	113	F315 L317 L455 M456	F315-Q458 HydrophobicContact CD1-CG 4.23Å; F315-Q458 HydrophobicContact CE1-CG 4.2Å; L317-Q458 HydrophobicContact CD2-CG 4.1Å; L455-Q458 PolarHBondContact O-N 2.78Å; M456-Q458 HydrophobicContact CB-CG 4.17Å; M456-Q458 PolarHBondContact O-N 3.29Å; M456-Q458 PolarHBondContact O-NE2 3.07Å
459	G	81.1	Confident	79.7	Confident	32 Å²	32	58.5 Å²	58.5	33%	0.33	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.6	-156.6	-173.9	0	0	0	0	0	112.4	N454	N454-G459 WeakPolarHBondContact OD1-CA 3.03Å; N454-G459 PolarHBondContact OD1-N 3.28Å
460	A	69.3	Low	78.9	Confident	44 Å²	44	63.3 Å²	63.3	36%	0.364	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-0.4	-176.7	0	0	0	0	0	114.2	G462 I463	A460-G462 PolarHBondContact O-N 3.3Å; A460-I463 PolarHBondContact O-N 2.89Å
461	S	60.9	Low	78	Confident	109 Å²	109	70.9 Å²	70.9	76%	0.762	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	127.7	-171.5	-171.7	0	0	0	0	111.5
462	G	65.1	Low	77.3	Confident	38 Å²	38	71.1 Å²	71.1	39%	0.392	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	98.6	-28.4	178.6	0	0	0	0	0	114.8	A460 E465 I466	A460-G462 PolarHBondContact O-N 3.3Å; G462-E465 WeakPolarHBondContact CA-OE2 3.33Å; G462-E465 PolarHBondContact N-OE2 3.46Å; G462-I466 VanDerWaalsContact O-CD1 3.26Å; G462-I466 WeakPolarHBondContact O-CD1 3.03Å; G462-I466 WeakPolarHBondContact O-CG1 3.03Å
463	I	68.1	Low	76.8	Confident	10 Å²	10	68.1 Å²	68.1	5%	0.051	36%	0.357	C	S	.	.	H	α-helix	trans	-88.5	-34.6	179.1	-59.3	163.7	0	0	0	110.8	L311 L313 W453 A460 E465 I466 I467	L311-I463 HydrophobicContact CD2-CG2 3.78Å; L313-I463 HydrophobicContact CD1-CD1 3.38Å; L313-I463 HydrophobicContact CD1-CG1 3.77Å; L313-I463 HydrophobicContact CD2-CG1 4.03Å; W453-I463 HydrophobicContact CZ2-CB 4.13Å; W453-I463 HydrophobicContact CZ2-CG2 3.58Å; A460-I463 PolarHBondContact O-N 2.89Å; I463-E465 VanDerWaalsContact C-N 3.29Å; I463-E465 PolarHBondContact O-N 3.23Å; I463-I466 PolarHBondContact O-N 2.84Å; I463-I467 HydrophobicContact CG2-CD1 3.6Å; I463-I467 HydrophobicContact CG2-CG1 4.2Å; I463-I467 WeakPolarHBondContact O-CG1 3.04Å; I463-I467 PolarHBondContact O-N 2.81Å
464	K	70.9	Confident	76.8	Confident	80 Å²	80	68 Å²	68	35%	0.348	36%	0.357	S	S	.	.	H	α-helix	trans	-61.3	-40.3	-178.2	-169.7	174.6	-175.9	174.4	0	111.4	E298 Q468	E298-K464 IonicContact OE1-NZ 2.95Å; K464-Q468 WeakPolarHBondContact O-CB 3.37Å; K464-Q468 VanDerWaalsContact O-CG 3.26Å; K464-Q468 WeakPolarHBondContact O-CG 3.48Å; K464-Q468 PolarHBondContact O-N 3.2Å
465	E	73.2	Confident	76.7	Confident	93 Å²	93	65.9 Å²	65.9	44%	0.435	35%	0.346	S	S	.	.	H	α-helix	trans	-66	-44.4	177.4	-61	76.1	-166.2	0	0	111.2	G462 I463 I467 Q468 E469	G462-E465 WeakPolarHBondContact CA-OE2 3.33Å; G462-E465 PolarHBondContact N-OE2 3.46Å; I463-E465 VanDerWaalsContact C-N 3.29Å; I463-E465 PolarHBondContact O-N 3.23Å; E465-I467 VanDerWaalsContact C-N 3.33Å; E465-I467 PolarHBondContact O-N 3.34Å; E465-Q468 PolarHBondContact O-N 3.34Å; E465-E469 PolarHBondContact O-N 3.25Å
466	I	70.5	Confident	76.8	Confident	66 Å²	66	66 Å²	66	34%	0.338	35%	0.346	S	S	.	.	H	α-helix	trans	-62.6	-39.4	178.5	-64.1	169.8	0	0	0	111.6	L311 G462 I463	L311-I466 HydrophobicContact CD1-CG2 4Å; G462-I466 VanDerWaalsContact O-CD1 3.26Å; G462-I466 WeakPolarHBondContact O-CD1 3.03Å; G462-I466 WeakPolarHBondContact O-CG1 3.03Å; I463-I466 PolarHBondContact O-N 2.84Å
467	I	71.5	Confident	76.9	Confident	4 Å²	4	67.7 Å²	67.7	2%	0.021	36%	0.357	C	S	.	.	H	α-helix	trans	-72.9	-38.2	179.4	-63.5	168.3	0	0	0	110.5	Y297 L300 W453 I463 E465 E469 K470 H474	Y297-I467 WeakPolarHBondContact O-CG2 3.34Å; L300-I467 HydrophobicContact CB-CD1 4.05Å; L300-I467 HydrophobicContact CD1-CD1 4.06Å; L300-I467 HydrophobicContact CD1-CG1 4.08Å; L300-I467 HydrophobicContact CD2-CD1 4.26Å; L300-I467 HydrophobicContact CG-CD1 4.35Å; W453-I467 HydrophobicContact CH2-CD1 3.14Å; W453-I467 HydrophobicContact CZ2-CD1 3.41Å; W453-I467 VanDerWaalsContact CZ2-CD1 3.41Å; W453-I467 HydrophobicContact CZ3-CD1 3.87Å; I463-I467 HydrophobicContact CG2-CD1 3.6Å; I463-I467 HydrophobicContact CG2-CG1 4.2Å; I463-I467 WeakPolarHBondContact O-CG1 3.04Å; I463-I467 PolarHBondContact O-N 2.81Å; E465-I467 VanDerWaalsContact C-N 3.33Å; E465-I467 PolarHBondContact O-N 3.34Å; I467-E469 VanDerWaalsContact C-N 3.26Å; I467-E469 PolarHBondContact O-N 3.15Å; I467-K470 PolarHBondContact O-N 3.46Å; I467-K470 VanDerWaalsContact O-N 3.17Å; I467-H474 PolarHBondContact O-NE2 2.03Å
468	Q	74.9	Confident	77.1	Confident	88 Å²	88	62.7 Å²	62.7	41%	0.411	34%	0.339	S	S	.	.	H	α-helix	trans	-57.9	-38.1	176.1	-80.4	175.4	-10.2	0	0	112.7	Y297 K464 E465 K470	Y297-Q468 HydrophobicContact CD2-CG 3.42Å; Y297-Q468 VanDerWaalsContact CD2-CG 3.42Å; Y297-Q468 VanDerWaalsContact CD2-NE2 3.31Å; Y297-Q468 HydrophobicContact CE2-CG 4.22Å; Y297-Q468 HydrophobicContact CG-CG 3.69Å; K464-Q468 WeakPolarHBondContact O-CB 3.37Å; K464-Q468 VanDerWaalsContact O-CG 3.26Å; K464-Q468 WeakPolarHBondContact O-CG 3.48Å; K464-Q468 PolarHBondContact O-N 3.2Å; E465-Q468 PolarHBondContact O-N 3.34Å; Q468-K470 VanDerWaalsContact C-N 3.34Å; Q468-K470 PolarHBondContact O-N 3.03Å
469	E	74.8	Confident	77.4	Confident	165 Å²	165	59.2 Å²	59.2	77%	0.771	33%	0.325	S	S	*	.	H	α-helix	trans	-70.1	-26.3	178.9	-70	179.9	175	0	0	113.7	E465 I467	E465-E469 PolarHBondContact O-N 3.25Å; I467-E469 VanDerWaalsContact C-N 3.26Å; I467-E469 PolarHBondContact O-N 3.15Å
470	K	75.1	Confident	78	Confident	106 Å²	106	60 Å²	60	46%	0.461	32%	0.32	S	S	.	.			trans	-108.3	86.9	-174.3	-66.6	-168.5	177.1	-176.6	0	112.5	I467 Q468 N472 K473 H474	I467-K470 PolarHBondContact O-N 3.46Å; I467-K470 VanDerWaalsContact O-N 3.17Å; Q468-K470 VanDerWaalsContact C-N 3.34Å; Q468-K470 PolarHBondContact O-N 3.03Å; K470-N472 VanDerWaalsContact C-N 3.27Å; K470-N472 PolarHBondContact O-N 2.89Å; K470-K473 HydrophobicContact CB-CB 4.15Å; K470-K473 HydrophobicContact CB-CG 3.67Å; K470-K473 HydrophobicContact CD-CG 4.18Å; K470-K473 WeakPolarHBondContact O-CB 3.36Å; K470-K473 PolarHBondContact O-N 3.32Å; K470-H474 PolarHBondContact O-NE2 2.65Å
471	Q	73.1	Confident	79.2	Confident	159 Å²	159	63.7 Å²	63.7	74%	0.743	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-59.2	-32.5	-179.7	-68.5	-174.9	-15.1	0	0	114.2	K473 H474	Q471-K473 PolarHBondContact O-N 2.04Å; Q471-K473 VanDerWaalsContact O-N 3.16Å; Q471-H474 PolarHBondContact O-N 2.81Å
472	N	75.3	Confident	80.8	Confident	90 Å²	90	58.7 Å²	58.7	48%	0.481	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-66.2	-12.7	175.7	67.2	-36.7	0	0	0	113.4	E304 K470	E304-N472 PolarHBondContact OE1-ND2 3.25Å; E304-N472 PolarHBondContact OE2-ND2 3.11Å; K470-N472 VanDerWaalsContact C-N 3.27Å; K470-N472 PolarHBondContact O-N 2.89Å
473	K	78.5	Confident	82.2	Confident	16 Å²	16	57.5 Å²	57.5	7%	0.07	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-92.6	9.3	177.8	-60.8	-62.1	-161.8	173	0	113.1	L300 Y301 E304 V310 K470 Q471	L300-K473 HydrophobicContact CD1-CB 4.2Å; Y301-K473 WeakPolarHBondContact CB-O 3.4Å; Y301-K473 PolarHBondContact N-O 3.46Å; E304-K473 WeakPolarHBondContact OE2-CD 3.44Å; E304-K473 WeakPolarHBondContact OE2-CE 2.94Å; E304-K473 IonicContact OE2-NZ 3.98Å; E304-K473 PolarHBondContact OE2-NZ 2.86Å; V310-K473 HydrophobicContact CG1-CD 4.3Å; K470-K473 HydrophobicContact CB-CB 4.15Å; K470-K473 HydrophobicContact CB-CG 3.67Å; K470-K473 HydrophobicContact CD-CG 4.18Å; K470-K473 WeakPolarHBondContact O-CB 3.36Å; K470-K473 PolarHBondContact O-N 3.32Å; Q471-K473 PolarHBondContact O-N 2.04Å; Q471-K473 VanDerWaalsContact O-N 3.16Å
474	H	87.2	Confident	83.6	Confident	14 Å²	14	57.5 Å²	57.5	7%	0.065	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	131.3	-178.5	-57.1	164.2	0	0	0	112	T295 L299 I467 K470 Q471	T295-H474 HydrophobicContact CG2-CB 4.23Å; L299-H474 VanDerWaalsContact O-CA 3.3Å; L299-H474 WeakPolarHBondContact O-CA 3.01Å; I467-H474 PolarHBondContact O-NE2 2.03Å; K470-H474 PolarHBondContact O-NE2 2.65Å; Q471-H474 PolarHBondContact O-N 2.81Å
475	C	89	Confident	84.8	Confident	3 Å²	3	53.9 Å²	53.9	2%	0.02	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	153.2	173.2	-43	0	0	0	0	111.6	T295 L299 L300 Y301 C449	T295-C475 WeakPolarHBondContact CA-O 3.41Å; L299-C475 HydrophobicContact CB-CB 3.98Å; L299-C475 PolarHBondContact O-N 3.16Å; L299-C475 VanDerWaalsContact O-N 3.08Å; L300-C475 PolarHBondContact O-SG 2.95Å; Y301-C475 WeakPolarHBondContact CA-SG 3.43Å; Y301-C475 HydrophobicContact CD2-CB 4.44Å; Y301-C475 PolarHBondContact N-SG 3.44Å; Y301-C475 VanDerWaalsContact N-SG 3.36Å; C449-C475 WeakPolarHBondContact CA-SG 3.02Å; C449-C475 HydrophobicContact CB-CB 3.82Å; C449-C475 WeakPolarHBondContact CB-SG 3.49Å; C449-C475 WeakPolarHBondContact SG-CB 3.41Å; C449-C475 CovalentContact SG-SG 2.02Å; C449-C475 PolarHBondContact SG-SG 2.03Å
476	L	91.7	Very high	85.8	Confident	4 Å²	4	50.9 Å²	50.9	2%	0.021	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61	136.1	164.9	-66.7	172.2	0	0	0	111	L293 D294 T295 R330 T478 V479 P667	L293-L476 HydrophobicContact CB-CD2 4.34Å; L293-L476 HydrophobicContact CD2-CD2 4.22Å; D294-L476 CarbonylContact O-C 3.59Å; D294-L476 WeakPolarHBondContact O-CA 3.39Å; T295-L476 HydrophobicContact CG2-CD2 4.27Å; R330-L476 PolarHBondContact NH2-O 2.84Å; L476-T478 PolarHBondContact O-N 2.95Å; L476-V479 HydrophobicContact CB-CG1 3.58Å; L476-V479 HydrophobicContact CD1-CG1 3.97Å; L476-V479 HydrophobicContact CG-CG1 4.42Å; L476-P667 HydrophobicContact CD1-CB 3.87Å; L476-P667 HydrophobicContact CD1-CG 4.26Å
477	V	91.2	Very high	86.9	Confident	41 Å²	41	48.8 Å²	48.8	25%	0.248	25%	0.247	C	C	.	.	S	Bend	trans	-64.8	-41.8	-178.7	176.4	0	0	0	0	111.2	D294 K296 L299 R330	D294-V477 HydrophobicContact CB-CG2 4.18Å; D294-V477 WeakPolarHBondContact O-CG2 3.41Å; D294-V477 PolarHBondContact O-N 3.2Å; K296-V477 HydrophobicContact CD-CG2 4Å; K296-V477 HydrophobicContact CG-CG2 3.74Å; L299-V477 HydrophobicContact CD1-CG2 4.26Å; R330-V477 PolarHBondContact NH1-O 3.36Å
478	T	91.3	Very high	87.8	Confident	50 Å²	50	50.8 Å²	50.8	31%	0.307	26%	0.261	S	S	.	.	S	Bend	trans	-124.8	124.5	-177	59.1	0	0	0	0	111	L476 S668	L476-T478 PolarHBondContact O-N 2.95Å; T478-S668 WeakPolarHBondContact CB-OG 3.41Å; T478-S668 PolarHBondContact O-N 3.29Å; T478-S668 PolarHBondContact OG1-OG 3.5Å
479	V	93.6	Very high	88.6	Confident	31 Å²	31	46.9 Å²	46.9	19%	0.188	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	149.1	-178.2	-65.8	0	0	0	0	111.4	Y332 L476 C666	Y332-V479 HydrophobicContact CE2-CG2 4.14Å; Y332-V479 PolarHBondContact OH-O 3.35Å; L476-V479 HydrophobicContact CB-CG1 3.58Å; L476-V479 HydrophobicContact CD1-CG1 3.97Å; L476-V479 HydrophobicContact CG-CG1 4.42Å; V479-C666 CarbonylContact C-O 3.49Å; V479-C666 WeakPolarHBondContact CA-O 3.26Å
480	E	93.9	Very high	89.6	Confident	49 Å²	49	40.7 Å²	40.7	23%	0.229	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	165	170.3	59.1	176.6	-128.2	0	0	110	G482 R515 R572 C666	E480-G482 PolarHBondContact O-N 3.26Å; E480-R515 IonicContact OE1-CZ 3.55Å; E480-R515 IonicContact OE1-NH1 3.79Å; E480-R515 PolarHBondContact OE1-NH1 2.68Å; E480-R515 IonicContact OE1-NH2 2.57Å; E480-R515 PolarHBondContact OE1-NH2 3.46Å; E480-R515 IonicContact OE2-CZ 3.82Å; E480-R515 IonicContact OE2-NH1 2.74Å; E480-R515 PolarHBondContact OE2-NH1 2.82Å; E480-R515 IonicContact OE2-NH2 2.82Å; E480-R515 PolarHBondContact OE2-NH2 2.63Å; E480-R515 VanDerWaalsContact OE2-NH2 3.14Å; E480-R572 IonicContact OE1-CZ 3.45Å; E480-R572 IonicContact OE1-NE 2.67Å; E480-R572 IonicContact OE1-NH2 3.73Å; E480-R572 PolarHBondContact OE1-NH2 3.41Å; E480-C666 HydrophobicContact CG-CB 4.1Å; E480-C666 WeakPolarHBondContact CG-O 3.43Å; E480-C666 PolarHBondContact N-O 3.36Å; E480-C666 PolarHBondContact O-N 3.28Å
481	K	93.4	Very high	90.5	Very high	122 Å²	122	35.6 Å²	35.6	53%	0.53	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	132.2	178.8	-177.4	-176.8	176.5	-171.1	0	110.9	Y332 R572	Y332-K481 HydrophobicContact CD1-CB 3.8Å; Y332-K481 HydrophobicContact CD1-CG 4.15Å; Y332-K481 HydrophobicContact CD2-CB 4.47Å; Y332-K481 HydrophobicContact CE1-CB 3.84Å; Y332-K481 HydrophobicContact CG-CB 4.12Å; Y332-K481 HydrophobicContact CG-CG 4.36Å; K481-R572 PolarHBondContact O-NH1 2.81Å; K481-R572 PolarHBondContact O-NH2 3.4Å
482	G	93.6	Very high	91.7	Very high	4 Å²	4	30.5 Å²	30.5	4%	0.041	17%	0.17	C	C	.	.	S	Bend	trans	136.4	166.4	170.7	0	0	0	0	0	111.8	E480 E641 H664 S665 C666	E480-G482 PolarHBondContact O-N 3.26Å; G482-E641 WeakPolarHBondContact CA-OE1 3.31Å; G482-H664 PolarHBondContact N-O 3.31Å; G482-H664 CarbonylContact O-C 3.59Å; G482-S665 CarbonylContact O-C 3.55Å; G482-S665 WeakPolarHBondContact O-CA 3.36Å; G482-S665 PolarHBondContact O-N 3.36Å; G482-C666 PolarHBondContact O-N 3.18Å
483	S	95.8	Very high	92.6	Very high	12 Å²	12	27 Å²	27	8%	0.084	15%	0.151	C	C	.	.			trans	-85	140.6	-176.5	-43.9	0	0	0	0	112.5	C639 M640 L651 R662 A663	S483-C639 CarbonylContact O-C 3.49Å; S483-C639 VanDerWaalsContact O-CA 3.24Å; S483-C639 WeakPolarHBondContact O-CA 3.5Å; S483-M640 WeakPolarHBondContact CB-O 3.46Å; S483-M640 PolarHBondContact O-N 3.42Å; S483-L651 VanDerWaalsContact CB-CD1 3.5Å; S483-R662 WeakPolarHBondContact CA-O 3.21Å; S483-A663 WeakPolarHBondContact CA-O 3.44Å; S483-A663 VanDerWaalsContact CB-O 3.25Å; S483-A663 WeakPolarHBondContact CB-O 3.16Å; S483-A663 PolarHBondContact OG-O 3.18Å
484	Y	96.1	Very high	93.3	Very high	10 Å²	10	32.5 Å²	32.5	4%	0.039	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	127.3	178.8	177.1	-123.8	0	0	0	112.5	L291 L293 P486 G638 I661 R662 S665 P667	L291-Y484 HydrophobicContact CD1-CD2 4.34Å; L291-Y484 HydrophobicContact CD1-CE2 3.54Å; L293-Y484 HydrophobicContact CD2-CE1 4.13Å; Y484-P486 HydrophobicContact CE1-CB 3.79Å; Y484-G638 WeakPolarHBondContact CD2-O 3.28Å; Y484-I661 WeakPolarHBondContact O-CA 3.07Å; Y484-R662 HydrophobicContact CD1-CG 4.34Å; Y484-R662 PolarHBondContact N-O 3.37Å; Y484-R662 PolarHBondContact O-N 3.23Å; Y484-S665 WeakPolarHBondContact CB-O 3.45Å; Y484-P667 HydrophobicContact CD1-CG 4.15Å; Y484-P667 HydrophobicContact CD2-CG 3.77Å; Y484-P667 HydrophobicContact CE1-CG 4.13Å; Y484-P667 HydrophobicContact CE2-CG 3.8Å; Y484-P667 HydrophobicContact CG-CG 3.97Å
485	Y	96.8	Very high	93.6	Very high	4 Å²	4	33.3 Å²	33.3	2%	0.016	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	116.8	174.1	-61.3	-98.7	0	0	0	107.9	G487 L619 Y636 N637 G638 M640 L651 I661	Y485-G487 VanDerWaalsContact C-N 3.33Å; Y485-L619 HydrophobicContact CE1-CB 4.13Å; Y485-Y636 WeakPolarHBondContact CB-O 3.19Å; Y485-Y636 HydrophobicContact CD2-CD1 4.14Å; Y485-Y636 HydrophobicContact CD2-CE1 4.25Å; Y485-Y636 HydrophobicContact CG-CD1 4Å; Y485-N637 CarbonylContact O-C 3.16Å; Y485-N637 VanDerWaalsContact O-CA 3.27Å; Y485-N637 WeakPolarHBondContact O-CA 3.36Å; Y485-G638 PolarHBondContact N-O 2.94Å; Y485-G638 PolarHBondContact O-N 2.85Å; Y485-M640 HydrophobicContact CD2-CB 3.99Å; Y485-M640 HydrophobicContact CD2-CE 4.1Å; Y485-M640 HydrophobicContact CE1-CE 4.02Å; Y485-M640 HydrophobicContact CE2-CB 3.78Å; Y485-M640 HydrophobicContact CE2-CE 3.58Å; Y485-M640 HydrophobicContact CE2-CG 4.39Å; Y485-L651 HydrophobicContact CE2-CD1 4.5Å; Y485-I661 HydrophobicContact CD1-CD1 4.05Å; Y485-I661 HydrophobicContact CD1-CG1 4.3Å; Y485-I661 HydrophobicContact CD1-CG2 4.18Å; Y485-I661 HydrophobicContact CE1-CD1 4.28Å; Y485-I661 HydrophobicContact CE1-CG2 4.18Å
486	P	93.9	Very high	93.6	Very high	30 Å²	30	38.7 Å²	38.7	20%	0.195	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	0.6	-175.9	32.3	-35.3	0	0	0	114.2	Y484 S488 N637 D660	Y484-P486 HydrophobicContact CE1-CB 3.79Å; P486-S488 WeakPolarHBondContact CG-OG 3.44Å; P486-N637 PolarHBondContact O-ND2 3.41Å; P486-D660 HydrophobicContact CG-CB 3.6Å
487	G	94.3	Very high	93.4	Very high	23 Å²	23	38.9 Å²	38.9	24%	0.237	21%	0.21	C	C	.	.	S	Bend	trans	79.3	21.1	-175.1	0	0	0	0	0	115	Y485 F635 Y636	Y485-G487 VanDerWaalsContact C-N 3.33Å; G487-F635 VanDerWaalsContact C-CB 3.44Å; G487-F635 WeakPolarHBondContact O-CB 3.39Å; G487-F635 WeakPolarHBondContact O-CD2 3.43Å; G487-Y636 WeakPolarHBondContact CA-O 3.41Å; G487-Y636 PolarHBondContact N-O 3.38Å
488	S	91	Very high	93.2	Very high	46 Å²	46	41.9 Å²	41.9	32%	0.322	22%	0.224	S	C	.	.	S	Bend	trans	-118.6	-2.9	179.8	62.9	0	0	0	0	114.9	P486 D660	P486-S488 WeakPolarHBondContact CG-OG 3.44Å; S488-D660 PolarHBondContact OG-OD2 2.7Å
489	G	90.6	Very high	92.3	Very high	6 Å²	6	42.2 Å²	42.2	6%	0.062	22%	0.224	C	C	.	.			trans	-172.7	-170.2	-176.2	0	0	0	0	0	114.7
490	I	95.3	Very high	90.9	Very high	34 Å²	34	44.9 Å²	44.9	17%	0.174	26%	0.258	C	S	.	.			trans	-133.4	161.3	-169.7	58.7	177.4	0	0	0	112.1	Y618 L619 G621 P623 F635 K657 H658 I661	I490-Y618 HydrophobicContact CB-CD1 4.45Å; I490-Y618 HydrophobicContact CD1-CD1 3.56Å; I490-Y618 HydrophobicContact CD1-CE1 3.69Å; I490-Y618 HydrophobicContact CG1-CD1 4.33Å; I490-L619 WeakPolarHBondContact CA-O 3.21Å; I490-G621 VanDerWaalsContact CG2-C 3.47Å; I490-G621 VanDerWaalsContact CG2-CA 3.49Å; I490-P623 HydrophobicContact CD1-CB 3.99Å; I490-F635 HydrophobicContact CG2-CD1 3.98Å; I490-F635 HydrophobicContact CG2-CE1 3.68Å; I490-K657 WeakPolarHBondContact O-CA 2.86Å; I490-H658 PolarHBondContact O-N 3.26Å; I490-I661 VanDerWaalsContact C-CD1 3.45Å; I490-I661 WeakPolarHBondContact O-CD1 3.09Å
491	A	96.1	Very high	89.4	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	139.7	165.6	0	0	0	0	0	110.4	F493 Y618 L619 L651 S656 K657 I661	A491-F493 HydrophobicContact CB-CE2 4.15Å; A491-Y618 CarbonylContact O-C 3.07Å; A491-Y618 VanDerWaalsContact O-CA 3.32Å; A491-Y618 WeakPolarHBondContact O-CA 3.03Å; A491-L619 PolarHBondContact N-O 3.5Å; A491-L619 PolarHBondContact O-N 3.47Å; A491-L651 HydrophobicContact CB-CD2 3.72Å; A491-S656 CarbonylContact C-O 3.58Å; A491-S656 WeakPolarHBondContact CA-O 3.43Å; A491-K657 HydrophobicContact CB-CB 4.15Å; A491-K657 HydrophobicContact CB-CG 4.25Å; A491-I661 HydrophobicContact CB-CD1 4.45Å
492	E	96.3	Very high	87.8	Confident	52 Å²	52	46.6 Å²	46.6	24%	0.243	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	132.6	-176.6	-176.2	-179.6	162.1	0	0	111.2	T617 Y618 I655 S656	E492-T617 WeakPolarHBondContact CA-O 3.32Å; E492-Y618 HydrophobicContact CB-CD1 4.08Å; E492-Y618 HydrophobicContact CB-CE1 3.69Å; E492-Y618 HydrophobicContact CG-CD1 4.34Å; E492-Y618 HydrophobicContact CG-CE1 3.71Å; E492-Y618 HydrophobicContact CG-CE2 4.46Å; E492-Y618 PolarHBondContact OE2-OH 2.81Å; E492-Y618 VanDerWaalsContact OE2-OH 3.07Å; E492-I655 PolarHBondContact O-N 3.23Å; E492-S656 PolarHBondContact N-O 2.84Å
493	F	96.1	Very high	85.8	Confident	17 Å²	17	51.8 Å²	51.8	8%	0.075	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	150.1	175.7	-68.4	-93.3	0	0	0	111	A491 I495 T617 L619 L649 D650 L651 A654	A491-F493 HydrophobicContact CB-CE2 4.15Å; F493-I495 HydrophobicContact CB-CD1 4.17Å; F493-I495 HydrophobicContact CB-CG1 4.06Å; F493-T617 PolarHBondContact N-O 2.79Å; F493-T617 PolarHBondContact O-N 2.88Å; F493-L619 HydrophobicContact CD2-CD1 4.32Å; F493-L619 HydrophobicContact CD2-CG 4.47Å; F493-L619 HydrophobicContact CE2-CD1 3.93Å; F493-L619 HydrophobicContact CE2-CG 4.46Å; F493-L649 HydrophobicContact CD2-CD1 4.28Å; F493-L649 HydrophobicContact CE1-CB 4.27Å; F493-L649 HydrophobicContact CE2-CD1 4.38Å; F493-L649 HydrophobicContact CG-CD1 4.35Å; F493-L649 HydrophobicContact CZ-CB 4.16Å; F493-D650 WeakPolarHBondContact CE1-O 3.28Å; F493-D650 WeakPolarHBondContact CZ-O 3.39Å; F493-L651 HydrophobicContact CE2-CD2 3.82Å; F493-L651 HydrophobicContact CZ-CD2 3.87Å; F493-A654 HydrophobicContact CD1-CB 4.48Å; F493-A654 HydrophobicContact CD2-CB 4.49Å; F493-A654 HydrophobicContact CE1-CB 3.92Å; F493-A654 HydrophobicContact CE2-CB 3.93Å; F493-A654 HydrophobicContact CZ-CB 3.63Å
494	H	93.1	Very high	83.9	Confident	131 Å²	131	59.5 Å²	59.5	61%	0.606	36%	0.36	S	S	*	.			trans	-109.1	110.4	166.7	-168.2	60.5	0	0	0	108.9	I655	H494-I655 HydrophobicContact CB-CD1 3.52Å
495	I	91.8	Very high	82.8	Confident	31 Å²	31	60.1 Å²	60.1	16%	0.159	37%	0.369	C	S	.	.			trans	-119.7	132.1	-175.6	-59.3	175.9	0	0	0	108.2	F493 Y497 T617 I644 L649	F493-I495 HydrophobicContact CB-CD1 4.17Å; F493-I495 HydrophobicContact CB-CG1 4.06Å; I495-Y497 HydrophobicContact CB-CD2 4.41Å; I495-Y497 HydrophobicContact CB-CE2 3.8Å; I495-Y497 HydrophobicContact CG2-CD1 4.27Å; I495-Y497 HydrophobicContact CG2-CD2 4.35Å; I495-Y497 HydrophobicContact CG2-CE1 3.93Å; I495-Y497 HydrophobicContact CG2-CE2 4.01Å; I495-Y497 HydrophobicContact CG2-CG 4.48Å; I495-Y497 WeakPolarHBondContact O-CD2 3.38Å; I495-T617 HydrophobicContact CD1-CG2 4.19Å; I495-I644 HydrophobicContact CD1-CB 4.26Å; I495-I644 HydrophobicContact CD1-CD1 3.57Å; I495-I644 HydrophobicContact CD1-CG1 4.36Å; I495-I644 HydrophobicContact CD1-CG2 4.22Å; I495-I644 HydrophobicContact CG2-CG2 4.17Å; I495-L649 HydrophobicContact CD1-CD1 3.98Å; I495-L649 HydrophobicContact CD1-CD2 3.99Å
496	D	88.9	Confident	82.3	Confident	116 Å²	116	60.5 Å²	60.5	62%	0.62	37%	0.37	S	S	*	.			trans	-84.4	116.9	171	-168.6	0.5	0	0	0	109.6	N498	D496-N498 VanDerWaalsContact OD1-CB 3.31Å; D496-N498 WeakPolarHBondContact OD1-CB 3.48Å; D496-N498 PolarHBondContact OD1-N 3.11Å; D496-N498 PolarHBondContact OD1-ND2 3.12Å
497	Y	89.4	Confident	82.1	Confident	8 Å²	8	62.1 Å²	62.1	3%	0.031	38%	0.375	C	S	.	.			trans	-99.2	2.6	179.9	-66.7	-78.6	0	0	0	112.7	I495 W506 H507 I508 L526 M611 T617 I644	I495-Y497 HydrophobicContact CB-CD2 4.41Å; I495-Y497 HydrophobicContact CB-CE2 3.8Å; I495-Y497 HydrophobicContact CG2-CD1 4.27Å; I495-Y497 HydrophobicContact CG2-CD2 4.35Å; I495-Y497 HydrophobicContact CG2-CE1 3.93Å; I495-Y497 HydrophobicContact CG2-CE2 4.01Å; I495-Y497 HydrophobicContact CG2-CG 4.48Å; I495-Y497 WeakPolarHBondContact O-CD2 3.38Å; Y497-W506 CarbonylContact O-C 3.53Å; Y497-W506 WeakPolarHBondContact O-CA 3.29Å; Y497-W506 WeakPolarHBondContact O-CB 3.04Å; Y497-H507 PolarHBondContact O-N 3.18Å; Y497-I508 HydrophobicContact CD1-CB 4.27Å; Y497-I508 HydrophobicContact CD1-CG1 3.66Å; Y497-I508 HydrophobicContact CD1-CG2 4.3Å; Y497-I508 HydrophobicContact CE1-CB 4.45Å; Y497-I508 HydrophobicContact CE1-CG1 4.08Å; Y497-I508 HydrophobicContact CE1-CG2 3.98Å; Y497-I508 HydrophobicContact CG-CG1 4.19Å; Y497-L526 HydrophobicContact CE2-CD2 3.95Å; Y497-M611 HydrophobicContact CD2-CE 3.83Å; Y497-M611 HydrophobicContact CG-CE 3.66Å; Y497-T617 WeakPolarHBondContact CE2-OG1 3.48Å; Y497-T617 WeakPolarHBondContact OH-CG2 3.3Å; Y497-T617 PolarHBondContact OH-OG1 3.37Å; Y497-I644 HydrophobicContact CD1-CG2 4.47Å; Y497-I644 HydrophobicContact CE1-CG2 3.58Å
498	N	85.3	Confident	82	Confident	103 Å²	103	61 Å²	61	55%	0.551	36%	0.364	S	S	*	.	B	Isolated β-bridge	trans	-71.6	137.7	177.3	-65.1	-55.7	0	0	0	110.9	D496 G500	D496-N498 VanDerWaalsContact OD1-CB 3.31Å; D496-N498 WeakPolarHBondContact OD1-CB 3.48Å; D496-N498 PolarHBondContact OD1-N 3.11Å; D496-N498 PolarHBondContact OD1-ND2 3.12Å; N498-G500 PolarHBondContact O-N 2.75Å
499	N	72.5	Confident	82	Confident	57 Å²	57	60.5 Å²	60.5	31%	0.305	36%	0.358	S	S	.	.			trans	-80.7	118.6	180	-173.9	-2.1	0	0	0	110.8	S501 N502 G505	N499-S501 PolarHBondContact ND2-OG 3.48Å; N499-S501 PolarHBondContact O-N 2.84Å; N499-S501 VanDerWaalsContact O-N 3.16Å; N499-S501 PolarHBondContact OD1-N 2.04Å; N499-S501 PolarHBondContact OD1-OG 2.93Å; N499-N502 CarbonylContact O-C 3.22Å; N499-N502 PolarHBondContact O-N 2.9Å; N499-G505 WeakPolarHBondContact CB-O 3.43Å; N499-G505 PolarHBondContact N-O 3Å
500	G	64	Low	82.2	Confident	88 Å²	88	60.3 Å²	60.3	91%	0.907	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-17.3	176.1	0	0	0	0	0	115.1	N498	N498-G500 PolarHBondContact O-N 2.75Å
501	S	63.8	Low	82.2	Confident	97 Å²	97	60.1 Å²	60.1	68%	0.678	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-20.3	179.4	48.3	0	0	0	0	114.7	N499	N499-S501 PolarHBondContact ND2-OG 3.48Å; N499-S501 PolarHBondContact O-N 2.84Å; N499-S501 VanDerWaalsContact O-N 3.16Å; N499-S501 PolarHBondContact OD1-N 2.04Å; N499-S501 PolarHBondContact OD1-OG 2.93Å
502	N	58.6	Low	82.2	Confident	110 Å²	110	60.5 Å²	60.5	59%	0.588	36%	0.358	S	S	*	.			trans	-132.9	106.2	173.7	-82.9	-11.4	0	0	0	108.9	N499 E504 G505	N499-N502 CarbonylContact O-C 3.22Å; N499-N502 PolarHBondContact O-N 2.9Å; N502-E504 PolarHBondContact O-N 2.97Å; N502-G505 PolarHBondContact O-N 3.08Å; N502-G505 VanDerWaalsContact O-N 3.1Å
503	A	52	Low	82.1	Confident	112 Å²	112	60.2 Å²	60.2	93%	0.926	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-7.1	-175.5	0	0	0	0	0	115.5
504	E	55.2	Low	82.1	Confident	175 Å²	175	59.4 Å²	59.4	82%	0.818	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.1	5.9	-179.6	-63.4	-169.4	163.8	0	0	114.4	N502	N502-E504 PolarHBondContact O-N 2.97Å
505	G	74.1	Confident	82.2	Confident	23 Å²	23	53.6 Å²	53.6	24%	0.237	33%	0.327	C	S	.	.			trans	-123.3	135.2	-176.4	0	0	0	0	0	113.3	N499 N502	N499-G505 WeakPolarHBondContact CB-O 3.43Å; N499-G505 PolarHBondContact N-O 3Å; N502-G505 PolarHBondContact O-N 3.08Å; N502-G505 VanDerWaalsContact O-N 3.1Å
506	W	87.2	Confident	82.3	Confident	12 Å²	12	52.1 Å²	52.1	5%	0.045	32%	0.319	C	S	.	.	B	Isolated β-bridge	trans	-98.1	151.2	165.7	57.1	-91.9	0	0	0	110.1	Y497 I508 A579 N580 L607 D608 M611	Y497-W506 CarbonylContact O-C 3.53Å; Y497-W506 WeakPolarHBondContact O-CA 3.29Å; Y497-W506 WeakPolarHBondContact O-CB 3.04Å; W506-I508 HydrophobicContact CE3-CD1 3.9Å; W506-I508 HydrophobicContact CE3-CG1 3.86Å; W506-I508 HydrophobicContact CZ3-CD1 3.59Å; W506-I508 HydrophobicContact CZ3-CG1 3.91Å; W506-A579 HydrophobicContact CH2-CB 4.13Å; W506-A579 HydrophobicContact CZ3-CB 3.8Å; W506-N580 VanDerWaalsContact CH2-O 3.26Å; W506-N580 WeakPolarHBondContact CH2-O 3.08Å; W506-L607 HydrophobicContact CH2-CD2 3.48Å; W506-L607 VanDerWaalsContact CH2-CD2 3.48Å; W506-L607 HydrophobicContact CH2-CG 3.74Å; W506-L607 HydrophobicContact CZ2-CD2 4.14Å; W506-L607 HydrophobicContact CZ2-CG 3.93Å; W506-L607 HydrophobicContact CZ3-CD2 4.18Å; W506-D608 PolarHBondContact NE1-OD1 3.3Å; W506-M611 HydrophobicContact CB-CB 4.42Å; W506-M611 HydrophobicContact CB-CE 4.11Å; W506-M611 HydrophobicContact CD2-CB 4.08Å; W506-M611 HydrophobicContact CD2-CE 4.19Å; W506-M611 HydrophobicContact CD2-CG 3.75Å; W506-M611 HydrophobicContact CE3-CE 4.11Å; W506-M611 HydrophobicContact CE3-CG 4.21Å; W506-M611 HydrophobicContact CG-CB 3.78Å; W506-M611 HydrophobicContact CG-CE 4.2Å; W506-M611 HydrophobicContact CG-CG 3.98Å; W506-M611 HydrophobicContact CZ2-CG 4.31Å
507	H	89.2	Confident	82.6	Confident	63 Å²	63	46.9 Å²	46.9	29%	0.292	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	133.5	172.5	-173.8	56.7	0	0	0	110.1	Y497 A579 N645	Y497-H507 PolarHBondContact O-N 3.18Å; H507-A579 PolarHBondContact ND1-O 2.9Å; H507-N645 PolarHBondContact O-ND2 2.92Å
508	I	91.1	Very high	82.8	Confident	0 Å²	0	48 Å²	48	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	108.8	175.5	-56.3	163.9	0	0	0	106.5	Y497 W506 V510 L526 F577 R578 A579 M611	Y497-I508 HydrophobicContact CD1-CB 4.27Å; Y497-I508 HydrophobicContact CD1-CG1 3.66Å; Y497-I508 HydrophobicContact CD1-CG2 4.3Å; Y497-I508 HydrophobicContact CE1-CB 4.45Å; Y497-I508 HydrophobicContact CE1-CG1 4.08Å; Y497-I508 HydrophobicContact CE1-CG2 3.98Å; Y497-I508 HydrophobicContact CG-CG1 4.19Å; W506-I508 HydrophobicContact CE3-CD1 3.9Å; W506-I508 HydrophobicContact CE3-CG1 3.86Å; W506-I508 HydrophobicContact CZ3-CD1 3.59Å; W506-I508 HydrophobicContact CZ3-CG1 3.91Å; I508-V510 HydrophobicContact CG2-CG2 3.7Å; I508-L526 HydrophobicContact CD1-CD1 3.73Å; I508-F577 HydrophobicContact CB-CE1 4.29Å; I508-F577 HydrophobicContact CB-CZ 3.85Å; I508-F577 HydrophobicContact CD1-CZ 4.39Å; I508-F577 HydrophobicContact CG2-CD1 4.46Å; I508-F577 HydrophobicContact CG2-CE1 3.32Å; I508-F577 HydrophobicContact CG2-CZ 3.35Å; I508-R578 CarbonylContact O-C 3.1Å; I508-R578 VanDerWaalsContact O-CA 3.25Å; I508-R578 WeakPolarHBondContact O-CA 3.11Å; I508-A579 HydrophobicContact CB-CB 4.37Å; I508-A579 HydrophobicContact CD1-CB 4.47Å; I508-A579 PolarHBondContact N-O 2.94Å; I508-A579 PolarHBondContact O-N 3.18Å; I508-M611 HydrophobicContact CD1-CE 4.01Å; I508-M611 HydrophobicContact CD1-SD 4.29Å; I508-M611 HydrophobicContact CG1-CE 4.09Å
509	N	92.3	Very high	83.1	Confident	36 Å²	36	43.1 Å²	43.1	19%	0.193	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	116.1	168	-175.3	4.4	0	0	0	108.1	I644 N645	N509-I644 CarbonylContact O-C 3.05Å; N509-I644 WeakPolarHBondContact O-CA 3.42Å; N509-N645 PolarHBondContact N-OD1 2.68Å; N509-N645 PolarHBondContact O-N 2.93Å; N509-N645 PolarHBondContact O-OD1 2.87Å
510	V	94.6	Very high	84.1	Confident	2 Å²	2	40.9 Å²	40.9	1%	0.012	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	134.4	179.2	-178.1	0	0	0	0	109.4	I508 L512 L524 E576 F577 V642 N643 I644	I508-V510 HydrophobicContact CG2-CG2 3.7Å; V510-L512 HydrophobicContact CG1-CD2 3.62Å; V510-L512 HydrophobicContact CG1-CG 3.88Å; V510-L524 HydrophobicContact CG1-CD1 3.96Å; V510-L524 HydrophobicContact CG2-CD1 4.09Å; V510-E576 CarbonylContact O-C 3.57Å; V510-E576 WeakPolarHBondContact O-CA 3.38Å; V510-F577 HydrophobicContact CB-CD1 3.59Å; V510-F577 HydrophobicContact CB-CE1 4.03Å; V510-F577 HydrophobicContact CG2-CD1 3.62Å; V510-F577 HydrophobicContact CG2-CE1 3.5Å; V510-F577 VanDerWaalsContact CG2-CE1 3.5Å; V510-F577 PolarHBondContact N-O 2.95Å; V510-F577 PolarHBondContact O-N 3.47Å; V510-V642 HydrophobicContact CG1-CG1 4.18Å; V510-N643 CarbonylContact C-O 3.59Å; V510-N643 VanDerWaalsContact CA-O 3.28Å; V510-N643 WeakPolarHBondContact CA-O 3.03Å; V510-I644 HydrophobicContact CG1-CG1 4.36Å; V510-I644 HydrophobicContact CG2-CD1 4.33Å; V510-I644 HydrophobicContact CG2-CG1 4.11Å; V510-I644 HydrophobicContact CG2-CG2 4.49Å
511	T	95.1	Very high	85.6	Confident	30 Å²	30	36.7 Å²	36.7	18%	0.184	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	124.7	169.1	-48.4	0	0	0	0	108.8	H574 L575 N643	T511-H574 WeakPolarHBondContact CG2-CE1 3.24Å; T511-H574 WeakPolarHBondContact CG2-NE2 3.5Å; T511-L575 CarbonylContact C-O 3.55Å; T511-L575 WeakPolarHBondContact CA-O 3.5Å; T511-N643 PolarHBondContact N-O 2.95Å; T511-N643 PolarHBondContact O-N 3.37Å
512	L	95	Very high	87.2	Confident	8 Å²	8	32.1 Å²	32.1	4%	0.042	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	128.4	178.5	-53.9	174.6	0	0	0	109.3	V510 I514 M523 V537 H574 L575 M640 E641 V642	V510-L512 HydrophobicContact CG1-CD2 3.62Å; V510-L512 HydrophobicContact CG1-CG 3.88Å; L512-I514 HydrophobicContact CB-CG2 3.96Å; L512-M523 HydrophobicContact CD1-CB 4.4Å; L512-M523 HydrophobicContact CD1-CE 4.22Å; L512-M523 HydrophobicContact CD1-SD 4.4Å; L512-V537 HydrophobicContact CD1-CG1 4.46Å; L512-H574 CarbonylContact O-C 3.57Å; L512-L575 HydrophobicContact CB-CB 4.27Å; L512-L575 PolarHBondContact N-O 3.34Å; L512-L575 PolarHBondContact O-N 3.26Å; L512-M640 HydrophobicContact CD2-SD 4.36Å; L512-E641 WeakPolarHBondContact CA-O 3.24Å; L512-V642 HydrophobicContact CD2-CB 4.13Å; L512-V642 HydrophobicContact CD2-CG1 3.76Å; L512-V642 HydrophobicContact CD2-CG2 3.67Å
513	N	95	Very high	89.1	Confident	45 Å²	45	26.9 Å²	26.9	24%	0.241	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	101.4	169.4	-171.2	26.1	0	0	0	108.4	R572 M640 E641	N513-R572 WeakPolarHBondContact ND2-CD 3.28Å; N513-R572 WeakPolarHBondContact OD1-CB 3.41Å; N513-M640 WeakPolarHBondContact O-CA 3.13Å; N513-E641 HydrophobicContact CB-CB 4.25Å; N513-E641 PolarHBondContact N-O 3.43Å; N513-E641 PolarHBondContact ND2-OE2 2.63Å; N513-E641 PolarHBondContact O-N 3.4Å
514	I	95.1	Very high	91.2	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	148.7	-166.5	62.6	165.2	0	0	0	113	L512 M523 L567 R572 S573 L575 C639 M640	L512-I514 HydrophobicContact CB-CG2 3.96Å; I514-M523 HydrophobicContact CD1-SD 3.74Å; I514-M523 HydrophobicContact CG2-SD 3.95Å; I514-L567 HydrophobicContact CD1-CD1 4.32Å; I514-R572 CarbonylContact O-C 3.49Å; I514-R572 WeakPolarHBondContact O-CA 3.12Å; I514-S573 PolarHBondContact N-O 3.35Å; I514-S573 PolarHBondContact O-N 2.63Å; I514-L575 HydrophobicContact CD1-CD1 3.49Å; I514-L575 VanDerWaalsContact CD1-CD1 3.49Å; I514-L575 HydrophobicContact CD1-CG 4.45Å; I514-L575 HydrophobicContact CG1-CD1 4.03Å; I514-C639 CarbonylContact C-O 3.48Å; I514-C639 WeakPolarHBondContact CA-O 3.23Å; I514-M640 HydrophobicContact CG2-CB 4.11Å; I514-M640 HydrophobicContact CG2-CG 3.81Å; I514-M640 HydrophobicContact CG2-SD 4.2Å
515	R	95.3	Very high	93.2	Very high	9 Å²	9	13.2 Å²	13.2	3%	0.034	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	85.9	164.1	-171.4	175.7	68.6	-168.8	1.9	108.7	L289 E480 R572 G638 C639 P667	L289-R515 HydrophobicContact CD2-CG 3.88Å; E480-R515 IonicContact OE1-CZ 3.55Å; E480-R515 IonicContact OE1-NH1 3.79Å; E480-R515 PolarHBondContact OE1-NH1 2.68Å; E480-R515 IonicContact OE1-NH2 2.57Å; E480-R515 PolarHBondContact OE1-NH2 3.46Å; E480-R515 IonicContact OE2-CZ 3.82Å; E480-R515 IonicContact OE2-NH1 2.74Å; E480-R515 PolarHBondContact OE2-NH1 2.82Å; E480-R515 IonicContact OE2-NH2 2.82Å; E480-R515 PolarHBondContact OE2-NH2 2.63Å; E480-R515 VanDerWaalsContact OE2-NH2 3.14Å; R515-R572 HydrophobicContact CB-CG 4.38Å; R515-G638 WeakPolarHBondContact O-CA 3.47Å; R515-C639 HydrophobicContact CB-CB 4.15Å; R515-C639 PolarHBondContact N-O 3.41Å; R515-C639 PolarHBondContact NH2-SG 3.46Å; R515-C639 PolarHBondContact O-N 3.17Å; R515-P667 PolarHBondContact NH2-O 3.2Å
516	P	95.4	Very high	94.3	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	145.9	-179.1	26.7	-32.8	0	0	0	112	L539 L567 Y636	P516-L539 HydrophobicContact CB-CD2 3.52Å; P516-L539 HydrophobicContact CG-CD2 3.95Å; P516-L567 WeakPolarHBondContact CD-O 3.5Å; P516-L567 HydrophobicContact CG-CB 3.86Å; P516-Y636 HydrophobicContact CB-CE2 4.06Å
517	S	94.2	Very high	94.7	Very high	7 Å²	7	12 Å²	12	5%	0.049	6%	0.063	C	C	.	.	S	Bend	trans	-106.9	-27.2	172.7	179.8	0	0	0	0	112.3	C288 L289 N637	C288-S517 PolarHBondContact N-O 2.98Å; C288-S517 PolarHBondContact SG-O 2.77Å; L289-S517 PolarHBondContact N-O 2.02Å; L289-S517 VanDerWaalsContact N-O 3.12Å; L289-S517 WeakPolarHBondContact O-CA 3.38Å; L289-S517 WeakPolarHBondContact O-CB 3.4Å; L289-S517 PolarHBondContact O-OG 3.11Å; S517-N637 WeakPolarHBondContact CB-OD1 3.42Å; S517-N637 PolarHBondContact N-O 3.1Å
518	M	93.2	Very high	94.9	Very high	32 Å²	32	9.7 Å²	9.7	16%	0.158	5%	0.054	C	C	.	.	B	Isolated β-bridge	trans	-113.8	151.7	172.7	-65.1	176.4	67.2	0	0	110.5	V285 S286 V287 L539 N637	V285-M518 HydrophobicContact CB-CE 3.61Å; V285-M518 HydrophobicContact CG1-CB 4.07Å; V285-M518 HydrophobicContact CG1-CE 3.54Å; S286-M518 WeakPolarHBondContact O-CA 3.36Å; V287-M518 HydrophobicContact CG2-CG 4.34Å; M518-L539 WeakPolarHBondContact O-CD2 3.38Å; M518-N637 HydrophobicContact CB-CB 3.92Å; M518-N637 HydrophobicContact CG-CB 3.63Å; M518-N637 PolarHBondContact N-O 3.18Å; M518-N637 HydrophobicContact SD-CB 3.41Å; M518-N637 WeakPolarHBondContact SD-CB 3.47Å; M518-N637 PolarHBondContact SD-ND2 3.11Å; M518-N637 VanDerWaalsContact SD-ND2 3.44Å
519	G	91.8	Very high	94.7	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	9%	0.089	C	C	.	.	S	Bend	trans	-79.7	-15.3	-172.5	0	0	0	0	0	115.8	S286 L539 V540 D541	S286-G519 PolarHBondContact O-N 3.41Å; G519-L539 WeakPolarHBondContact O-CG 2.94Å; G519-V540 CarbonylContact O-C 3.52Å; G519-V540 WeakPolarHBondContact O-CA 3.24Å; G519-D541 WeakPolarHBondContact CA-OD1 3.45Å; G519-D541 PolarHBondContact O-N 3.08Å; G519-D541 VanDerWaalsContact O-N 3.07Å
520	T	94.3	Very high	94.4	Very high	10 Å²	10	17.7 Å²	17.7	6%	0.061	11%	0.105	C	C	.	.			trans	-134.7	135.7	-178.7	-57.6	0	0	0	0	110.9	L539 V540 D541 V632 A634	T520-L539 CarbonylContact C-O 3.55Å; T520-L539 VanDerWaalsContact CA-O 3.25Å; T520-L539 WeakPolarHBondContact CA-O 3.28Å; T520-V540 HydrophobicContact CG2-CG1 4.3Å; T520-D541 PolarHBondContact OG1-N 2.91Å; T520-D541 PolarHBondContact OG1-OD2 3.33Å; T520-V632 HydrophobicContact CG2-CG1 3.9Å; T520-A634 HydrophobicContact CG2-CB 4.34Å
521	G	95.9	Very high	94.1	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168.8	152.7	175.6	0	0	0	0	0	114.1	L539 A634	G521-L539 PolarHBondContact N-O 3.02Å; G521-L539 PolarHBondContact O-N 3.07Å; G521-A634 WeakPolarHBondContact CA-O 3.43Å
522	V	97.4	Very high	94	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	119	178.6	-178.2	0	0	0	0	110	A525 G620 G621 L622 V632 A634 Y636	V522-A525 HydrophobicContact CG1-CB 4Å; V522-G620 CarbonylContact O-C 3.59Å; V522-G620 WeakPolarHBondContact O-CA 3.35Å; V522-G621 PolarHBondContact O-N 3.27Å; V522-G621 VanDerWaalsContact O-N 3.12Å; V522-L622 HydrophobicContact CG1-CD2 4.33Å; V522-L622 HydrophobicContact CG1-CG 4.28Å; V522-L622 HydrophobicContact CG2-CD1 4.13Å; V522-L622 HydrophobicContact CG2-CG 4.19Å; V522-V632 HydrophobicContact CG2-CB 4.15Å; V522-V632 HydrophobicContact CG2-CG1 3.93Å; V522-V632 WeakPolarHBondContact CG2-O 3.08Å; V522-A634 PolarHBondContact N-O 3.26Å; V522-Y636 VanDerWaalsContact O-CB 3.28Å; V522-Y636 WeakPolarHBondContact O-CB 3.31Å
523	M	97.1	Very high	94.1	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	-50.1	179.9	-67.5	-176.1	-65.5	0	0	111.2	L512 I514 V537 L575 L619 G620 Y636 M640	L512-M523 HydrophobicContact CD1-CB 4.4Å; L512-M523 HydrophobicContact CD1-CE 4.22Å; L512-M523 HydrophobicContact CD1-SD 4.4Å; I514-M523 HydrophobicContact CD1-SD 3.74Å; I514-M523 HydrophobicContact CG2-SD 3.95Å; M523-V537 HydrophobicContact CE-CG1 3.74Å; M523-V537 PolarHBondContact N-O 3Å; M523-L575 HydrophobicContact CE-CD1 4.31Å; M523-L619 WeakPolarHBondContact O-CA 3.4Å; M523-G620 PolarHBondContact O-N 3.49Å; M523-Y636 HydrophobicContact CG-CD2 3.61Å; M523-Y636 HydrophobicContact CG-CE2 3.82Å; M523-Y636 HydrophobicContact CG-CG 4.25Å; M523-Y636 HydrophobicContact SD-CE2 4.15Å; M523-M640 HydrophobicContact CB-SD 3.83Å; M523-M640 HydrophobicContact CG-SD 4.21Å; M523-M640 WeakPolarHBondContact O-CE 3.1Å
524	L	97.4	Very high	94	Very high	1 Å²	1	20 Å²	20	1%	0.005	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	137.3	179.8	-179.9	150.2	0	0	0	109.6	V510 F535 A536 V537 T617 Y618 L619 V642 I644	V510-L524 HydrophobicContact CG1-CD1 3.96Å; V510-L524 HydrophobicContact CG2-CD1 4.09Å; L524-F535 HydrophobicContact CD2-CD1 4.4Å; L524-A536 WeakPolarHBondContact O-CA 3.42Å; L524-V537 HydrophobicContact CB-CB 4.5Å; L524-V537 HydrophobicContact CD2-CG2 4.44Å; L524-V537 PolarHBondContact N-O 2.85Å; L524-V537 PolarHBondContact O-N 2.71Å; L524-T617 HydrophobicContact CD1-CG2 4.38Å; L524-T617 HydrophobicContact CG-CG2 4.42Å; L524-Y618 CarbonylContact C-O 3.5Å; L524-Y618 WeakPolarHBondContact CA-O 3.48Å; L524-L619 HydrophobicContact CB-CD2 4.03Å; L524-L619 HydrophobicContact CD1-CD2 3.88Å; L524-L619 HydrophobicContact CG-CD2 3.98Å; L524-V642 HydrophobicContact CD1-CG1 4.5Å; L524-I644 HydrophobicContact CD1-CD1 3.86Å
525	A	97.2	Very high	94	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	142.4	172.7	0	0	0	0	0	111.3	V522 V533 F535 A536 Y618 L622	V522-A525 HydrophobicContact CG1-CB 4Å; A525-V533 HydrophobicContact CB-CG1 4.24Å; A525-F535 CarbonylContact C-O 3.54Å; A525-F535 WeakPolarHBondContact CA-O 3.49Å; A525-A536 HydrophobicContact CB-CB 4.15Å; A525-Y618 PolarHBondContact N-O 3.45Å; A525-Y618 PolarHBondContact O-N 3.16Å; A525-L622 HydrophobicContact CB-CD2 3.31Å
526	L	96.3	Very high	94	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	126.3	166.3	-65.1	-171.4	0	0	0	107.6	Y497 I508 V533 P534 F535 M611 V615 T617	Y497-L526 HydrophobicContact CE2-CD2 3.95Å; I508-L526 HydrophobicContact CD1-CD1 3.73Å; L526-V533 WeakPolarHBondContact O-CA 3.04Å; L526-P534 HydrophobicContact CB-CG 4.14Å; L526-P534 WeakPolarHBondContact O-CD 3.45Å; L526-P534 WeakPolarHBondContact O-CG 3.01Å; L526-F535 HydrophobicContact CB-CB 4.16Å; L526-F535 HydrophobicContact CD1-CB 4.11Å; L526-F535 HydrophobicContact CD1-CD1 4.47Å; L526-F535 HydrophobicContact CG-CB 4.26Å; L526-F535 HydrophobicContact CG-CD1 4.48Å; L526-F535 PolarHBondContact N-O 3.3Å; L526-M611 HydrophobicContact CD1-SD 4.05Å; L526-V615 HydrophobicContact CB-CG1 3.61Å; L526-V615 HydrophobicContact CD1-CG1 4.32Å; L526-V615 HydrophobicContact CD2-CG1 3.99Å; L526-V615 HydrophobicContact CG-CG1 4.17Å; L526-T617 HydrophobicContact CD2-CG2 4.19Å; L526-T617 WeakPolarHBondContact CD2-OG1 3.3Å
527	V	95.9	Very high	94.1	Very high	9 Å²	9	19.9 Å²	19.9	6%	0.055	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	128.1	-178.9	-177.3	0	0	0	0	108.8	T532 V533 A616 Y618 L622 P623 V625	V527-T532 WeakPolarHBondContact CA-O 3.03Å; V527-V533 HydrophobicContact CG2-CG2 4.41Å; V527-A616 PolarHBondContact N-O 2.03Å; V527-A616 PolarHBondContact O-N 3.47Å; V527-Y618 HydrophobicContact CB-CD2 3.78Å; V527-Y618 HydrophobicContact CB-CE2 3.72Å; V527-Y618 HydrophobicContact CG1-CE2 4.37Å; V527-Y618 HydrophobicContact CG2-CD2 3.45Å; V527-Y618 VanDerWaalsContact CG2-CD2 3.45Å; V527-Y618 HydrophobicContact CG2-CE2 3.86Å; V527-Y618 HydrophobicContact CG2-CG 4.39Å; V527-L622 HydrophobicContact CG2-CD2 4.41Å; V527-P623 HydrophobicContact CG1-CG 4.17Å; V527-P623 HydrophobicContact CG2-CG 4.1Å; V527-V625 HydrophobicContact CG1-CG1 4.06Å
528	S	93.3	Very high	94.1	Very high	14 Å²	14	19.6 Å²	19.6	10%	0.098	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	159.7	177.3	-173.8	0	0	0	0	110.9	N530 N531 T532	S528-N530 VanDerWaalsContact CB-OD1 3.29Å; S528-N530 WeakPolarHBondContact CB-OD1 3.34Å; S528-N530 PolarHBondContact O-N 3.04Å; S528-N530 PolarHBondContact OG-OD1 3.16Å; S528-N531 PolarHBondContact O-N 3.16Å; S528-T532 PolarHBondContact N-O 2.91Å
529	S	86.3	Confident	94.2	Very high	105 Å²	105	18 Å²	18	73%	0.734	11%	0.108	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-12.3	-178.7	57.2	0	0	0	0	115.2
530	N	87	Confident	94.3	Very high	100 Å²	100	19 Å²	19	54%	0.535	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	15.4	175.7	66.8	-9.8	0	0	0	113.2	S528 T532	S528-N530 VanDerWaalsContact CB-OD1 3.29Å; S528-N530 WeakPolarHBondContact CB-OD1 3.34Å; S528-N530 PolarHBondContact O-N 3.04Å; S528-N530 PolarHBondContact OG-OD1 3.16Å; N530-T532 WeakPolarHBondContact ND2-CG2 3.37Å; N530-T532 PolarHBondContact ND2-OG1 3.04Å; N530-T532 PolarHBondContact O-N 3.07Å; N530-T532 WeakPolarHBondContact OD1-CB 3.36Å; N530-T532 WeakPolarHBondContact OD1-CG2 3.31Å; N530-T532 PolarHBondContact OD1-N 3.16Å; N530-T532 VanDerWaalsContact OD1-N 3.15Å; N530-T532 PolarHBondContact OD1-OG1 2.98Å
531	N	88.1	Confident	94	Very high	94 Å²	94	20.1 Å²	20.1	50%	0.503	12%	0.119	S	C	.	.	S	Bend	trans	61	23	-176.7	-60	-17.8	0	0	0	114.8	S528 V625	S528-N531 PolarHBondContact O-N 3.16Å; N531-V625 HydrophobicContact CB-CG1 4.35Å
532	T	93.3	Very high	93.4	Very high	37 Å²	37	21 Å²	21	23%	0.227	13%	0.126	C	C	.	.			trans	-90	152.7	167.9	62.8	0	0	0	0	110.4	V527 S528 N530 P534	V527-T532 WeakPolarHBondContact CA-O 3.03Å; S528-T532 PolarHBondContact N-O 2.91Å; N530-T532 WeakPolarHBondContact ND2-CG2 3.37Å; N530-T532 PolarHBondContact ND2-OG1 3.04Å; N530-T532 PolarHBondContact O-N 3.07Å; N530-T532 WeakPolarHBondContact OD1-CB 3.36Å; N530-T532 WeakPolarHBondContact OD1-CG2 3.31Å; N530-T532 PolarHBondContact OD1-N 3.16Å; N530-T532 VanDerWaalsContact OD1-N 3.15Å; N530-T532 PolarHBondContact OD1-OG1 2.98Å; T532-P534 VanDerWaalsContact C-CD 3.41Å; T532-P534 WeakPolarHBondContact O-CD 3.22Å
533	V	95.9	Very high	92.1	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.006	17%	0.168	C	C	.	.			trans	-108	81	176.2	-175	0	0	0	0	108	A525 L526 V527 F535 A536 E555 L622 V625 A629 T630	A525-V533 HydrophobicContact CB-CG1 4.24Å; L526-V533 WeakPolarHBondContact O-CA 3.04Å; V527-V533 HydrophobicContact CG2-CG2 4.41Å; V533-F535 PolarHBondContact O-N 3.31Å; V533-F535 VanDerWaalsContact O-N 3.13Å; V533-A536 HydrophobicContact CG1-CB 3.85Å; V533-E555 WeakPolarHBondContact O-CA 3.33Å; V533-E555 PolarHBondContact O-N 2.67Å; V533-L622 HydrophobicContact CG1-CD2 4.12Å; V533-L622 HydrophobicContact CG2-CD2 4.04Å; V533-V625 HydrophobicContact CG2-CB 4.46Å; V533-V625 HydrophobicContact CG2-CG1 4.34Å; V533-V625 HydrophobicContact CG2-CG2 4.08Å; V533-A629 HydrophobicContact CB-CB 4.49Å; V533-A629 HydrophobicContact CG2-CB 3.84Å; V533-T630 HydrophobicContact CB-CG2 4.33Å; V533-T630 HydrophobicContact CG1-CG2 4.29Å; V533-T630 HydrophobicContact CG2-CG2 4.08Å
534	P	94.1	Very high	90.7	Very high	1 Å²	1	31 Å²	31	1%	0.006	19%	0.189	C	C	.	.	S	Bend	trans	-58.9	-24.4	-177.5	22.7	-37.5	0	0	0	114	L526 T532 V554 L607 A610	L526-P534 HydrophobicContact CB-CG 4.14Å; L526-P534 WeakPolarHBondContact O-CD 3.45Å; L526-P534 WeakPolarHBondContact O-CG 3.01Å; T532-P534 VanDerWaalsContact C-CD 3.41Å; T532-P534 WeakPolarHBondContact O-CD 3.22Å; P534-V554 WeakPolarHBondContact O-CA 3.4Å; P534-V554 WeakPolarHBondContact O-CG1 3.41Å; P534-L607 HydrophobicContact CB-CD1 4.16Å; P534-A610 HydrophobicContact CB-CB 3.42Å; P534-A610 VanDerWaalsContact CB-CB 3.42Å; P534-A610 HydrophobicContact CG-CB 3.82Å
535	F	94.8	Very high	89.1	Confident	1 Å²	1	40.1 Å²	40.1	0%	0.004	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	136.8	175.8	-175.4	-104.8	0	0	0	111.1	L524 A525 L526 V533 V537 L552 S553 V554 F577 L584 L607	L524-F535 HydrophobicContact CD2-CD1 4.4Å; A525-F535 CarbonylContact C-O 3.54Å; A525-F535 WeakPolarHBondContact CA-O 3.49Å; L526-F535 HydrophobicContact CB-CB 4.16Å; L526-F535 HydrophobicContact CD1-CB 4.11Å; L526-F535 HydrophobicContact CD1-CD1 4.47Å; L526-F535 HydrophobicContact CG-CB 4.26Å; L526-F535 HydrophobicContact CG-CD1 4.48Å; L526-F535 PolarHBondContact N-O 3.3Å; V533-F535 PolarHBondContact O-N 3.31Å; V533-F535 VanDerWaalsContact O-N 3.13Å; F535-V537 HydrophobicContact CD1-CG2 4.41Å; F535-V537 HydrophobicContact CE1-CG2 3.47Å; F535-V537 VanDerWaalsContact CE1-CG2 3.47Å; F535-V537 HydrophobicContact CZ-CG2 3.85Å; F535-L552 HydrophobicContact CZ-CD2 4.11Å; F535-S553 CarbonylContact C-O 3.52Å; F535-S553 WeakPolarHBondContact CA-O 3.03Å; F535-V554 HydrophobicContact CD2-CG2 4.29Å; F535-F577 HydrophobicContact CD1-CE1 4.38Å; F535-F577 HydrophobicContact CD1-CZ 4.09Å; F535-F577 HydrophobicContact CE1-CD1 4.12Å; F535-F577 HydrophobicContact CE1-CD2 4.46Å; F535-F577 AromaticContact CE1-CE1 3.43Å; F535-F577 HydrophobicContact CE1-CE1 3.43Å; F535-F577 VanDerWaalsContact CE1-CE1 3.43Å; F535-F577 AromaticContact CE1-CE2 3.76Å; F535-F577 HydrophobicContact CE1-CE2 3.76Å; F535-F577 AromaticContact CE1-CZ 3.23Å; F535-F577 HydrophobicContact CE1-CZ 3.23Å; F535-F577 HydrophobicContact CE2-CE2 4.15Å; F535-F577 HydrophobicContact CE2-CZ 4.33Å; F535-F577 HydrophobicContact CZ-CD1 4.34Å; F535-F577 AromaticContact CZ-CD2 3.93Å; F535-F577 HydrophobicContact CZ-CD2 3.93Å; F535-F577 AromaticContact CZ-CE1 3.89Å; F535-F577 HydrophobicContact CZ-CE1 3.89Å; F535-F577 AromaticContact CZ-CE2 3.35Å; F535-F577 HydrophobicContact CZ-CE2 3.35Å; F535-F577 HydrophobicContact CZ-CG 4.41Å; F535-F577 AromaticContact CZ-CZ 3.38Å; F535-F577 HydrophobicContact CZ-CZ 3.38Å; F535-L584 HydrophobicContact CE2-CD1 4.36Å; F535-L607 HydrophobicContact CB-CD1 3.95Å; F535-L607 HydrophobicContact CD2-CD2 4.36Å
536	A	96.3	Very high	87.8	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	142.7	171.6	0	0	0	0	0	112.2	L524 A525 V533 S553	L524-A536 WeakPolarHBondContact O-CA 3.42Å; A525-A536 HydrophobicContact CB-CB 4.15Å; V533-A536 HydrophobicContact CG1-CB 3.85Å; A536-S553 PolarHBondContact N-O 3.29Å; A536-S553 PolarHBondContact O-N 3.22Å; A536-S553 PolarHBondContact O-OG 2.81Å
537	V	95.5	Very high	87.3	Confident	6 Å²	6	48.8 Å²	48.8	4%	0.036	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	115.9	172	-171.1	0	0	0	0	107.9	L512 M523 L524 F535 I550 L552 F577	L512-V537 HydrophobicContact CD1-CG1 4.46Å; M523-V537 HydrophobicContact CE-CG1 3.74Å; M523-V537 PolarHBondContact N-O 3Å; L524-V537 HydrophobicContact CB-CB 4.5Å; L524-V537 HydrophobicContact CD2-CG2 4.44Å; L524-V537 PolarHBondContact N-O 2.85Å; L524-V537 PolarHBondContact O-N 2.71Å; F535-V537 HydrophobicContact CD1-CG2 4.41Å; F535-V537 HydrophobicContact CE1-CG2 3.47Å; F535-V537 VanDerWaalsContact CE1-CG2 3.47Å; F535-V537 HydrophobicContact CZ-CG2 3.85Å; V537-I550 HydrophobicContact CG1-CG2 4.21Å; V537-L552 HydrophobicContact CB-CD2 4.12Å; V537-L552 HydrophobicContact CG1-CD2 3.82Å; V537-L552 HydrophobicContact CG2-CD2 3.71Å; V537-F577 HydrophobicContact CG2-CD1 4.46Å
538	S	95.9	Very high	87.1	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	147.4	-174.2	-56.6	0	0	0	0	111.8	V551	S538-V551 PolarHBondContact N-O 2.69Å; S538-V551 PolarHBondContact O-N 2.8Å
539	L	94.5	Very high	87	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	136.9	166.9	-172	73.8	0	0	0	108.3	P516 M518 G519 T520 G521 Q548 L567	P516-L539 HydrophobicContact CB-CD2 3.52Å; P516-L539 HydrophobicContact CG-CD2 3.95Å; M518-L539 WeakPolarHBondContact O-CD2 3.38Å; G519-L539 WeakPolarHBondContact O-CG 2.94Å; T520-L539 CarbonylContact C-O 3.55Å; T520-L539 VanDerWaalsContact CA-O 3.25Å; T520-L539 WeakPolarHBondContact CA-O 3.28Å; G521-L539 PolarHBondContact N-O 3.02Å; G521-L539 PolarHBondContact O-N 3.07Å; L539-Q548 HydrophobicContact CD1-CB 3.54Å; L539-Q548 HydrophobicContact CD1-CG 4.07Å; L539-Q548 HydrophobicContact CD2-CG 4.37Å; L539-Q548 HydrophobicContact CG-CB 4.15Å; L539-Q548 HydrophobicContact CG-CG 4.28Å; L539-L567 HydrophobicContact CD1-CD1 3.37Å
540	V	93.2	Very high	87.2	Confident	19 Å²	19	43.2 Å²	43.2	12%	0.115	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	149.6	171.3	-58.5	0	0	0	0	110.4	G519 T520 S542 Q548 D549 V551 V632	G519-V540 CarbonylContact O-C 3.52Å; G519-V540 WeakPolarHBondContact O-CA 3.24Å; T520-V540 HydrophobicContact CG2-CG1 4.3Å; V540-S542 PolarHBondContact O-N 3.19Å; V540-Q548 CarbonylContact O-C 3.52Å; V540-Q548 WeakPolarHBondContact O-CA 3.48Å; V540-D549 HydrophobicContact CG2-CB 3.74Å; V540-D549 PolarHBondContact N-O 3.08Å; V540-D549 PolarHBondContact O-N 3.02Å; V540-V551 HydrophobicContact CG1-CG2 4.21Å; V540-V551 HydrophobicContact CG2-CG2 3.57Å; V540-V632 HydrophobicContact CG1-CG2 3.43Å; V540-V632 VanDerWaalsContact CG1-CG2 3.43Å
541	D	89.2	Confident	87.5	Confident	34 Å²	34	38.5 Å²	38.5	18%	0.182	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	134.4	173.2	-77	-56	0	0	0	110.4	K274 S286 G519 T520	K274-D541 WeakPolarHBondContact CE-OD2 3.47Å; K274-D541 IonicContact NZ-OD2 3.95Å; K274-D541 PolarHBondContact NZ-OD2 3.41Å; S286-D541 PolarHBondContact OG-OD2 3.19Å; G519-D541 WeakPolarHBondContact CA-OD1 3.45Å; G519-D541 PolarHBondContact O-N 3.08Å; G519-D541 VanDerWaalsContact O-N 3.07Å; T520-D541 PolarHBondContact OG1-N 2.91Å; T520-D541 PolarHBondContact OG1-OD2 3.33Å
542	S	83.1	Confident	87.7	Confident	19 Å²	19	34 Å²	34	13%	0.133	18%	0.183	C	C	.	.			trans	-80.9	170.6	173.2	-158.4	0	0	0	0	110.5	V540 S544 S547 D549	V540-S542 PolarHBondContact O-N 3.19Å; S542-S544 PolarHBondContact O-N 3.07Å; S542-S547 WeakPolarHBondContact CB-O 3.44Å; S542-S547 VanDerWaalsContact CB-OG 3.29Å; S542-S547 WeakPolarHBondContact CB-OG 3.45Å; S542-S547 PolarHBondContact N-O 3.02Å; S542-D549 WeakPolarHBondContact CB-OD1 3.12Å; S542-D549 PolarHBondContact OG-OD1 3.32Å
543	T	70.4	Confident	87.8	Confident	144 Å²	144	32.2 Å²	32.2	88%	0.883	17%	0.172	S	C	*	.	S	Bend	trans	-66.6	-18.6	174.2	55.9	0	0	0	0	113
544	S	66.2	Low	87.6	Confident	65 Å²	65	32.4 Å²	32.4	46%	0.455	17%	0.173	S	C	.	.	S	Bend	trans	-91.5	126.5	171.6	177	0	0	0	0	110.2	S542 K546 S547	S542-S544 PolarHBondContact O-N 3.07Å; S544-K546 PolarHBondContact O-N 3.47Å; S544-S547 WeakPolarHBondContact CB-OG 3.12Å; S544-S547 PolarHBondContact O-N 3.44Å; S544-S547 PolarHBondContact O-OG 3.36Å
545	E	64.5	Low	87.5	Confident	194 Å²	194	36 Å²	36	91%	0.907	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-15.1	-174.6	-64.7	-176.4	167.3	0	0	115.8
546	K	71.2	Confident	87.3	Confident	171 Å²	171	39 Å²	39	74%	0.743	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-115.7	1.5	-176.3	-64.6	-171.1	-179.4	179.3	0	114.8	S544	S544-K546 PolarHBondContact O-N 3.47Å
547	S	85.4	Confident	87	Confident	11 Å²	11	42.3 Å²	42.3	8%	0.077	23%	0.226	C	C	.	.			trans	-125.9	154.3	-175.2	63.6	0	0	0	0	111.9	S542 S544 L565	S542-S547 WeakPolarHBondContact CB-O 3.44Å; S542-S547 VanDerWaalsContact CB-OG 3.29Å; S542-S547 WeakPolarHBondContact CB-OG 3.45Å; S542-S547 PolarHBondContact N-O 3.02Å; S544-S547 WeakPolarHBondContact CB-OG 3.12Å; S544-S547 PolarHBondContact O-N 3.44Å; S544-S547 PolarHBondContact O-OG 3.36Å; S547-L565 CarbonylContact C-O 3.59Å; S547-L565 WeakPolarHBondContact CA-O 3.5Å
548	Q	90.3	Very high	86.8	Confident	2 Å²	2	44.8 Å²	44.8	1%	0.009	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	150.1	179.6	-65.4	70.3	48.6	0	0	108.9	L539 V540 L565 L567 C568	L539-Q548 HydrophobicContact CD1-CB 3.54Å; L539-Q548 HydrophobicContact CD1-CG 4.07Å; L539-Q548 HydrophobicContact CD2-CG 4.37Å; L539-Q548 HydrophobicContact CG-CB 4.15Å; L539-Q548 HydrophobicContact CG-CG 4.28Å; V540-Q548 CarbonylContact O-C 3.52Å; V540-Q548 WeakPolarHBondContact O-CA 3.48Å; Q548-L565 PolarHBondContact N-O 2.03Å; Q548-L565 WeakPolarHBondContact O-CB 3.11Å; Q548-L565 PolarHBondContact O-N 3.48Å; Q548-L565 PolarHBondContact OE1-O 2.77Å; Q548-L567 HydrophobicContact CB-CB 4.38Å; Q548-L567 HydrophobicContact CB-CD1 4.15Å; Q548-L567 VanDerWaalsContact OE1-N 3.16Å; Q548-C568 PolarHBondContact NE2-SG 3.16Å; Q548-C568 PolarHBondContact OE1-SG 2.84Å; Q548-C568 VanDerWaalsContact OE1-SG 3.41Å
549	D	91.3	Very high	86.6	Confident	7 Å²	7	46.1 Å²	46.1	4%	0.037	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	147.9	171.3	-61.9	-7.6	0	0	0	109.6	V540 S542 R561 I562 Q563 A564	V540-D549 HydrophobicContact CG2-CB 3.74Å; V540-D549 PolarHBondContact N-O 3.08Å; V540-D549 PolarHBondContact O-N 3.02Å; S542-D549 WeakPolarHBondContact CB-OD1 3.12Å; S542-D549 PolarHBondContact OG-OD1 3.32Å; D549-R561 HydrophobicContact CB-CG 4.07Å; D549-R561 WeakPolarHBondContact OD2-CD 3.33Å; D549-R561 IonicContact OD2-CZ 2.78Å; D549-R561 IonicContact OD2-NH1 3.55Å; D549-R561 PolarHBondContact OD2-NH1 2.9Å; D549-I562 CarbonylContact C-O 3.56Å; D549-I562 WeakPolarHBondContact CA-O 3.41Å; D549-I562 VanDerWaalsContact CB-O 3.26Å; D549-I562 WeakPolarHBondContact CB-O 3.04Å; D549-Q563 VanDerWaalsContact OD1-CA 3.28Å; D549-Q563 WeakPolarHBondContact OD1-CA 3.36Å; D549-A564 PolarHBondContact OD1-N 3.24Å
550	I	91.9	Very high	86.2	Confident	1 Å²	1	48 Å²	48	1%	0.005	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	124.4	167.4	-64	167.9	0	0	0	107.5	V537 R561 I562 L565 L567 L575	V537-I550 HydrophobicContact CG1-CG2 4.21Å; I550-R561 CarbonylContact O-C 3.5Å; I550-R561 WeakPolarHBondContact O-CA 3.33Å; I550-I562 HydrophobicContact CB-CB 4.39Å; I550-I562 HydrophobicContact CB-CD1 4.36Å; I550-I562 HydrophobicContact CD1-CD1 4.26Å; I550-I562 PolarHBondContact N-O 3.16Å; I550-I562 PolarHBondContact O-N 3.32Å; I550-L565 HydrophobicContact CD1-CD1 3.42Å; I550-L565 VanDerWaalsContact CD1-CD1 3.42Å; I550-L565 HydrophobicContact CG1-CD1 3.89Å; I550-L567 HydrophobicContact CD1-CD1 4.06Å; I550-L567 HydrophobicContact CG1-CD1 3.89Å; I550-L575 HydrophobicContact CD1-CD1 3.44Å; I550-L575 VanDerWaalsContact CD1-CD1 3.44Å; I550-L575 HydrophobicContact CD1-CD2 3.34Å; I550-L575 HydrophobicContact CD1-CG 4.01Å; I550-L575 HydrophobicContact CG1-CD1 4.41Å
551	V	92.7	Very high	86	Confident	1 Å²	1	51.7 Å²	51.7	1%	0.006	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	124	-179	172.9	0	0	0	0	108.9	S538 V540 V558 R561	S538-V551 PolarHBondContact N-O 2.69Å; S538-V551 PolarHBondContact O-N 2.8Å; V540-V551 HydrophobicContact CG1-CG2 4.21Å; V540-V551 HydrophobicContact CG2-CG2 3.57Å; V551-V558 HydrophobicContact CG1-CB 4.26Å; V551-V558 HydrophobicContact CG1-CG1 3.77Å; V551-V558 HydrophobicContact CG1-CG2 3.64Å; V551-R561 HydrophobicContact CG2-CG 4.32Å
552	L	92.9	Very high	85.8	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	132.3	166.4	-59.3	-175.5	0	0	0	108.3	F535 V537 I559 Y560 L584 L586	F535-L552 HydrophobicContact CZ-CD2 4.11Å; V537-L552 HydrophobicContact CB-CD2 4.12Å; V537-L552 HydrophobicContact CG1-CD2 3.82Å; V537-L552 HydrophobicContact CG2-CD2 3.71Å; L552-I559 HydrophobicContact CB-CD1 4.11Å; L552-I559 HydrophobicContact CB-CG1 3.8Å; L552-I559 VanDerWaalsContact O-CG1 3.23Å; L552-I559 WeakPolarHBondContact O-CG1 3.32Å; L552-I559 PolarHBondContact O-N 2.97Å; L552-Y560 PolarHBondContact N-O 2.81Å; L552-Y560 PolarHBondContact O-N 3.23Å; L552-L584 HydrophobicContact CD1-CD1 4.42Å; L552-L584 HydrophobicContact CD1-CD2 3.86Å; L552-L584 HydrophobicContact CD1-CG 4.31Å; L552-L586 HydrophobicContact CD1-CD1 4.42Å; L552-L586 HydrophobicContact CD1-CD2 3.9Å; L552-L586 HydrophobicContact CG-CD2 4.37Å
553	S	93.9	Very high	85.9	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	144.3	-178.3	50.8	0	0	0	0	111.6	F535 A536 T557	F535-S553 CarbonylContact C-O 3.52Å; F535-S553 WeakPolarHBondContact CA-O 3.03Å; A536-S553 PolarHBondContact N-O 3.29Å; A536-S553 PolarHBondContact O-N 3.22Å; A536-S553 PolarHBondContact O-OG 2.81Å; S553-T557 WeakPolarHBondContact CA-O 3.49Å; S553-T557 WeakPolarHBondContact CB-O 3.35Å
554	V	92.9	Very high	86.3	Confident	5 Å²	5	52.7 Å²	52.7	3%	0.03	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	115.6	168.4	168.8	0	0	0	0	105.7	P534 F535 N556 T557 I559 Q603 I606	P534-V554 WeakPolarHBondContact O-CA 3.4Å; P534-V554 WeakPolarHBondContact O-CG1 3.41Å; F535-V554 HydrophobicContact CD2-CG2 4.29Å; V554-N556 PolarHBondContact O-N 2.81Å; V554-T557 PolarHBondContact N-O 2.84Å; V554-T557 PolarHBondContact O-N 2.73Å; V554-I559 HydrophobicContact CB-CG2 4.18Å; V554-I559 HydrophobicContact CG2-CD1 3.98Å; V554-I559 HydrophobicContact CG2-CG2 4.15Å; V554-Q603 HydrophobicContact CB-CB 4.22Å; V554-Q603 HydrophobicContact CB-CG 4.48Å; V554-Q603 HydrophobicContact CG1-CB 4.21Å; V554-Q603 HydrophobicContact CG2-CB 4.31Å; V554-I606 HydrophobicContact CG1-CB 4.05Å; V554-I606 HydrophobicContact CG1-CG2 3.85Å
555	E	92.5	Very high	86.9	Confident	77 Å²	77	50.5 Å²	50.5	36%	0.36	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.7	-134.1	-165.7	-56	-177.3	161.7	0	0	110.3	V533 T557 I606 A629 T630 P631	V533-E555 WeakPolarHBondContact O-CA 3.33Å; V533-E555 PolarHBondContact O-N 2.67Å; E555-T557 PolarHBondContact O-N 3.39Å; E555-I606 HydrophobicContact CG-CG2 4.21Å; E555-A629 CarbonylContact C-O 3.56Å; E555-A629 VanDerWaalsContact CA-O 3.29Å; E555-A629 WeakPolarHBondContact CA-O 3.04Å; E555-T630 WeakPolarHBondContact O-CA 3.02Å; E555-P631 WeakPolarHBondContact O-CD 3.15Å
556	N	90.3	Very high	88	Confident	62 Å²	62	45.3 Å²	45.3	33%	0.332	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	2.1	179.3	-158.5	35.1	0	0	0	114.3	Y266 V554 S628 A629	Y266-N556 PolarHBondContact OH-ND2 3.17Å; V554-N556 PolarHBondContact O-N 2.81Å; N556-S628 VanDerWaalsContact CB-O 3.28Å; N556-S628 WeakPolarHBondContact CB-O 3.39Å; N556-A629 PolarHBondContact N-O 3.41Å
557	T	90.4	Very high	88.8	Confident	71 Å²	71	37.5 Å²	37.5	44%	0.436	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	121.2	-174.8	-57.3	0	0	0	0	110.5	S553 V554 E555 I559	S553-T557 WeakPolarHBondContact CA-O 3.49Å; S553-T557 WeakPolarHBondContact CB-O 3.35Å; V554-T557 PolarHBondContact N-O 2.84Å; V554-T557 PolarHBondContact O-N 2.73Å; E555-T557 PolarHBondContact O-N 3.39Å; T557-I559 PolarHBondContact O-N 3.39Å
558	V	91.3	Very high	89	Confident	58 Å²	58	37.9 Å²	37.9	35%	0.352	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	108.8	168.7	175.4	0	0	0	0	108.5	V551 P631	V551-V558 HydrophobicContact CG1-CB 4.26Å; V551-V558 HydrophobicContact CG1-CG1 3.77Å; V551-V558 HydrophobicContact CG1-CG2 3.64Å; V558-P631 HydrophobicContact CG2-CB 4.13Å; V558-P631 HydrophobicContact CG2-CG 3.85Å
559	I	89.9	Confident	88.9	Confident	27 Å²	27	39.2 Å²	39.2	14%	0.138	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	-29.8	178.7	55	168.6	0	0	0	111.7	L552 V554 T557 L584 L600 Q603	L552-I559 HydrophobicContact CB-CD1 4.11Å; L552-I559 HydrophobicContact CB-CG1 3.8Å; L552-I559 VanDerWaalsContact O-CG1 3.23Å; L552-I559 WeakPolarHBondContact O-CG1 3.32Å; L552-I559 PolarHBondContact O-N 2.97Å; V554-I559 HydrophobicContact CB-CG2 4.18Å; V554-I559 HydrophobicContact CG2-CD1 3.98Å; V554-I559 HydrophobicContact CG2-CG2 4.15Å; T557-I559 PolarHBondContact O-N 3.39Å; I559-L584 HydrophobicContact CD1-CD2 3.31Å; I559-L584 HydrophobicContact CG1-CD2 4.36Å; I559-L600 HydrophobicContact CB-CD1 4.38Å; I559-L600 HydrophobicContact CB-CD2 3.88Å; I559-L600 HydrophobicContact CD1-CD1 4.42Å; I559-L600 HydrophobicContact CG2-CD2 3.99Å; I559-Q603 HydrophobicContact CG2-CB 3.91Å; I559-Q603 HydrophobicContact CG2-CG 3.72Å
560	Y	87.3	Confident	88.7	Confident	39 Å²	39	43.9 Å²	43.9	15%	0.153	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	148.6	-176.2	-170.5	-98.3	0	0	0	112	L552 I562 L586 E593 I595	L552-Y560 PolarHBondContact N-O 2.81Å; L552-Y560 PolarHBondContact O-N 3.23Å; Y560-I562 HydrophobicContact CD1-CG1 4.36Å; Y560-I562 HydrophobicContact CE1-CG1 3.58Å; Y560-L586 HydrophobicContact CD1-CD2 3.78Å; Y560-L586 HydrophobicContact CE1-CD2 3.78Å; Y560-E593 WeakPolarHBondContact CE2-OE2 3.17Å; Y560-E593 PolarHBondContact OH-OE1 3.05Å; Y560-E593 PolarHBondContact OH-OE2 3.2Å; Y560-I595 HydrophobicContact CD1-CD1 4.29Å; Y560-I595 HydrophobicContact CD2-CD1 3.32Å; Y560-I595 HydrophobicContact CD2-CG1 4.14Å; Y560-I595 HydrophobicContact CE2-CD1 4.07Å; Y560-I595 HydrophobicContact CG-CD1 3.47Å; Y560-I595 VanDerWaalsContact CG-CD1 3.47Å
561	R	88.4	Confident	88.5	Confident	98 Å²	98	50.7 Å²	50.7	37%	0.37	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	118	-179.1	179.6	-175.7	-72.7	-95.2	-2.2	110.5	D549 I550 V551 Q563	D549-R561 HydrophobicContact CB-CG 4.07Å; D549-R561 WeakPolarHBondContact OD2-CD 3.33Å; D549-R561 IonicContact OD2-CZ 2.78Å; D549-R561 IonicContact OD2-NH1 3.55Å; D549-R561 PolarHBondContact OD2-NH1 2.9Å; I550-R561 CarbonylContact O-C 3.5Å; I550-R561 WeakPolarHBondContact O-CA 3.33Å; V551-R561 HydrophobicContact CG2-CG 4.32Å; R561-Q563 HydrophobicContact CG-CG 4Å
562	I	85.6	Confident	88.4	Confident	14 Å²	14	54.1 Å²	54.1	7%	0.072	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	123.4	163.8	-51.7	170.2	0	0	0	108.2	D549 I550 Y560 L565 L586 T588	D549-I562 CarbonylContact C-O 3.56Å; D549-I562 WeakPolarHBondContact CA-O 3.41Å; D549-I562 VanDerWaalsContact CB-O 3.26Å; D549-I562 WeakPolarHBondContact CB-O 3.04Å; I550-I562 HydrophobicContact CB-CB 4.39Å; I550-I562 HydrophobicContact CB-CD1 4.36Å; I550-I562 HydrophobicContact CD1-CD1 4.26Å; I550-I562 PolarHBondContact N-O 3.16Å; I550-I562 PolarHBondContact O-N 3.32Å; Y560-I562 HydrophobicContact CD1-CG1 4.36Å; Y560-I562 HydrophobicContact CE1-CG1 3.58Å; I562-L565 HydrophobicContact CB-CD1 4.12Å; I562-L565 HydrophobicContact CD1-CD1 4.42Å; I562-L565 HydrophobicContact CG2-CD1 3.75Å; I562-L565 HydrophobicContact CG2-CD2 4.01Å; I562-L565 HydrophobicContact CG2-CG 3.85Å; I562-L586 HydrophobicContact CD1-CD1 4.43Å; I562-L586 HydrophobicContact CD1-CD2 3.13Å; I562-L586 HydrophobicContact CD1-CG 3.65Å; I562-L586 HydrophobicContact CG1-CD2 3.47Å; I562-L586 VanDerWaalsContact CG1-CD2 3.47Å; I562-L586 HydrophobicContact CG1-CG 4.43Å; I562-T588 HydrophobicContact CD1-CG2 3.46Å; I562-T588 VanDerWaalsContact CD1-CG2 3.46Å
563	Q	84.8	Confident	88.4	Confident	139 Å²	139	55.1 Å²	55.1	65%	0.65	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.3	150.2	-177.8	-66.9	179.2	-21	0	0	113.4	D549 R561 L565	D549-Q563 VanDerWaalsContact OD1-CA 3.28Å; D549-Q563 WeakPolarHBondContact OD1-CA 3.36Å; R561-Q563 HydrophobicContact CG-CG 4Å; Q563-L565 PolarHBondContact O-N 3.13Å
564	A	78.4	Confident	88.3	Confident	64 Å²	64	59.4 Å²	59.4	53%	0.529	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	59.8	42.1	162.1	0	0	0	0	0	115.7	D549	D549-A564 PolarHBondContact OD1-N 3.24Å
565	L	80.3	Confident	88.2	Confident	19 Å²	19	59.6 Å²	59.6	10%	0.099	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	133.2	172.9	-61.5	173.4	0	0	0	110.5	S547 Q548 I550 I562 Q563 L567 L590	S547-L565 CarbonylContact C-O 3.59Å; S547-L565 WeakPolarHBondContact CA-O 3.5Å; Q548-L565 PolarHBondContact N-O 2.03Å; Q548-L565 WeakPolarHBondContact O-CB 3.11Å; Q548-L565 PolarHBondContact O-N 3.48Å; Q548-L565 PolarHBondContact OE1-O 2.77Å; I550-L565 HydrophobicContact CD1-CD1 3.42Å; I550-L565 VanDerWaalsContact CD1-CD1 3.42Å; I550-L565 HydrophobicContact CG1-CD1 3.89Å; I562-L565 HydrophobicContact CB-CD1 4.12Å; I562-L565 HydrophobicContact CD1-CD1 4.42Å; I562-L565 HydrophobicContact CG2-CD1 3.75Å; I562-L565 HydrophobicContact CG2-CD2 4.01Å; I562-L565 HydrophobicContact CG2-CG 3.85Å; Q563-L565 PolarHBondContact O-N 3.13Å; L565-L567 HydrophobicContact CB-CD1 4.02Å; L565-L567 HydrophobicContact CB-CD2 3.97Å; L565-L567 HydrophobicContact CB-CG 3.63Å; L565-L567 HydrophobicContact CD1-CD1 4.16Å; L565-L567 HydrophobicContact CD1-CD2 4.34Å; L565-L567 HydrophobicContact CD1-CG 4.44Å; L565-L567 PolarHBondContact O-N 2.79Å; L565-L590 HydrophobicContact CD2-CD1 4.44Å
566	S	86.4	Confident	88.2	Confident	85 Å²	85	57.5 Å²	57.5	59%	0.594	30%	0.304	S	S	*	.			trans	-81.4	68.3	173.8	175.7	0	0	0	0	110.8
567	L	88.5	Confident	88.1	Confident	7 Å²	7	55 Å²	55	4%	0.037	29%	0.29	C	S	.	.			trans	-82	-33.5	-173.8	-62.1	175.7	0	0	0	112.9	I514 P516 L539 Q548 I550 L565 S569 S573	I514-L567 HydrophobicContact CD1-CD1 4.32Å; P516-L567 WeakPolarHBondContact CD-O 3.5Å; P516-L567 HydrophobicContact CG-CB 3.86Å; L539-L567 HydrophobicContact CD1-CD1 3.37Å; Q548-L567 HydrophobicContact CB-CB 4.38Å; Q548-L567 HydrophobicContact CB-CD1 4.15Å; Q548-L567 VanDerWaalsContact OE1-N 3.16Å; I550-L567 HydrophobicContact CD1-CD1 4.06Å; I550-L567 HydrophobicContact CG1-CD1 3.89Å; L565-L567 HydrophobicContact CB-CD1 4.02Å; L565-L567 HydrophobicContact CB-CD2 3.97Å; L565-L567 HydrophobicContact CB-CG 3.63Å; L565-L567 HydrophobicContact CD1-CD1 4.16Å; L565-L567 HydrophobicContact CD1-CD2 4.34Å; L565-L567 HydrophobicContact CD1-CG 4.44Å; L565-L567 PolarHBondContact O-N 2.79Å; L567-S569 PolarHBondContact O-N 3.02Å; L567-S573 WeakPolarHBondContact CD2-OG 3.48Å
568	C	88.8	Confident	88.1	Confident	20 Å²	20	55.7 Å²	55.7	14%	0.135	29%	0.285	C	S	.	.	S	Bend	trans	-76	67.9	174.7	-62.8	0	0	0	0	111.9	C288 L289 Q548	C288-C568 HydrophobicContact CB-CB 3.42Å; C288-C568 VanDerWaalsContact CB-CB 3.42Å; C288-C568 WeakPolarHBondContact CB-SG 3.41Å; C288-C568 WeakPolarHBondContact SG-CB 3.06Å; C288-C568 CovalentContact SG-SG 2.01Å; C288-C568 PolarHBondContact SG-SG 3.4Å; L289-C568 HydrophobicContact CB-CB 4.36Å; Q548-C568 PolarHBondContact NE2-SG 3.16Å; Q548-C568 PolarHBondContact OE1-SG 2.84Å; Q548-C568 VanDerWaalsContact OE1-SG 3.41Å
569	S	88.9	Confident	88	Confident	30 Å²	30	53 Å²	53	21%	0.21	27%	0.268	C	S	.	.	S	Bend	trans	-126.7	171.3	-178.2	89.7	0	0	0	0	112	L289 L567 Q571	L289-S569 VanDerWaalsContact CD2-O 3.3Å; L289-S569 WeakPolarHBondContact CD2-O 3.43Å; L567-S569 PolarHBondContact O-N 3.02Å; S569-Q571 PolarHBondContact O-N 3.12Å; S569-Q571 PolarHBondContact OG-N 2.78Å; S569-Q571 VanDerWaalsContact OG-N 3.12Å; S569-Q571 PolarHBondContact OG-O 2.02Å
570	N	86.8	Confident	87.8	Confident	104 Å²	104	53.6 Å²	53.6	56%	0.556	27%	0.272	S	S	*	.	S	Bend	trans	-69.5	-17.1	175.6	-66.7	-0.6	0	0	0	113.4	I669	N570-I669 VanDerWaalsContact CA-CD1 3.46Å; N570-I669 HydrophobicContact CB-CD1 3.7Å; N570-I669 WeakPolarHBondContact OD1-CD1 3.35Å
571	Q	88.1	Confident	87.6	Confident	145 Å²	145	57.7 Å²	57.7	68%	0.678	29%	0.287	S	S	*	.	S	Bend	trans	-93.8	148.6	179.3	-62.2	-62.3	-38.6	0	0	110	S569	S569-Q571 PolarHBondContact O-N 3.12Å; S569-Q571 PolarHBondContact OG-N 2.78Å; S569-Q571 VanDerWaalsContact OG-N 3.12Å; S569-Q571 PolarHBondContact OG-O 2.02Å
572	R	91	Very high	87.2	Confident	72 Å²	72	57.3 Å²	57.3	27%	0.272	29%	0.292	S	S	.	.			trans	-74.9	142.9	170	-59.3	-169.4	175.6	-177.2	-0.9	109.8	E480 K481 N513 I514 R515 E641	E480-R572 IonicContact OE1-CZ 3.45Å; E480-R572 IonicContact OE1-NE 2.67Å; E480-R572 IonicContact OE1-NH2 3.73Å; E480-R572 PolarHBondContact OE1-NH2 3.41Å; K481-R572 PolarHBondContact O-NH1 2.81Å; K481-R572 PolarHBondContact O-NH2 3.4Å; N513-R572 WeakPolarHBondContact ND2-CD 3.28Å; N513-R572 WeakPolarHBondContact OD1-CB 3.41Å; I514-R572 CarbonylContact O-C 3.49Å; I514-R572 WeakPolarHBondContact O-CA 3.12Å; R515-R572 HydrophobicContact CB-CG 4.38Å; R572-E641 IonicContact CZ-OE2 2.57Å; R572-E641 IonicContact NH1-OE1 3.2Å; R572-E641 PolarHBondContact NH1-OE1 3.48Å; R572-E641 IonicContact NH1-OE2 2.68Å; R572-E641 PolarHBondContact NH1-OE2 2.91Å
573	S	91.8	Very high	87	Confident	22 Å²	22	58.5 Å²	58.5	15%	0.154	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	130.4	175.8	-59.8	0	0	0	0	109.3	I514 L567	I514-S573 PolarHBondContact N-O 3.35Å; I514-S573 PolarHBondContact O-N 2.63Å; L567-S573 WeakPolarHBondContact CD2-OG 3.48Å
574	H	91.6	Very high	87	Confident	89 Å²	89	52 Å²	52	41%	0.412	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	132.7	175.8	-169	80	0	0	0	109.4	T511 L512 P589	T511-H574 WeakPolarHBondContact CG2-CE1 3.24Å; T511-H574 WeakPolarHBondContact CG2-NE2 3.5Å; L512-H574 CarbonylContact O-C 3.57Å; H574-P589 HydrophobicContact CB-CG 4.21Å; H574-P589 WeakPolarHBondContact O-CD 3.42Å
575	L	91.2	Very high	87.3	Confident	9 Å²	9	51.1 Å²	51.1	5%	0.047	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	136.2	176.8	-57.6	170.6	0	0	0	108.4	T511 L512 I514 M523 I550 T588	T511-L575 CarbonylContact C-O 3.55Å; T511-L575 WeakPolarHBondContact CA-O 3.5Å; L512-L575 HydrophobicContact CB-CB 4.27Å; L512-L575 PolarHBondContact N-O 3.34Å; L512-L575 PolarHBondContact O-N 3.26Å; I514-L575 HydrophobicContact CD1-CD1 3.49Å; I514-L575 VanDerWaalsContact CD1-CD1 3.49Å; I514-L575 HydrophobicContact CD1-CG 4.45Å; I514-L575 HydrophobicContact CG1-CD1 4.03Å; M523-L575 HydrophobicContact CE-CD1 4.31Å; I550-L575 HydrophobicContact CD1-CD1 3.44Å; I550-L575 VanDerWaalsContact CD1-CD1 3.44Å; I550-L575 HydrophobicContact CD1-CD2 3.34Å; I550-L575 HydrophobicContact CD1-CG 4.01Å; I550-L575 HydrophobicContact CG1-CD1 4.41Å; L575-T588 HydrophobicContact CD2-CG2 3.75Å
576	E	91.7	Very high	87.4	Confident	33 Å²	33	50.7 Å²	50.7	15%	0.154	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	132.1	175.8	176.2	-179.2	-167.2	0	0	109.3	V510 R578 L587	V510-E576 CarbonylContact O-C 3.57Å; V510-E576 WeakPolarHBondContact O-CA 3.38Å; E576-R578 HydrophobicContact CG-CG 4.48Å; E576-R578 IonicContact OE1-CZ 3.78Å; E576-R578 IonicContact OE1-NE 2.76Å; E576-R578 PolarHBondContact OE1-NE 2.03Å; E576-R578 IonicContact OE1-NH2 3.04Å; E576-R578 PolarHBondContact OE1-NH2 3.39Å; E576-R578 IonicContact OE2-NH2 3.48Å; E576-L587 HydrophobicContact CB-CB 3.9Å; E576-L587 HydrophobicContact CB-CD1 4.49Å; E576-L587 HydrophobicContact CG-CB 4.34Å; E576-L587 HydrophobicContact CG-CD1 4Å; E576-L587 PolarHBondContact N-O 2.86Å; E576-L587 PolarHBondContact O-N 3.46Å
577	F	89.5	Confident	87.2	Confident	9 Å²	9	48.1 Å²	48.1	4%	0.039	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	132.7	179.2	131.9	-110.8	0	0	0	108.3	I508 V510 F535 V537 A579 L584 E585 L586	I508-F577 HydrophobicContact CB-CE1 4.29Å; I508-F577 HydrophobicContact CB-CZ 3.85Å; I508-F577 HydrophobicContact CD1-CZ 4.39Å; I508-F577 HydrophobicContact CG2-CD1 4.46Å; I508-F577 HydrophobicContact CG2-CE1 3.32Å; I508-F577 HydrophobicContact CG2-CZ 3.35Å; V510-F577 HydrophobicContact CB-CD1 3.59Å; V510-F577 HydrophobicContact CB-CE1 4.03Å; V510-F577 HydrophobicContact CG2-CD1 3.62Å; V510-F577 HydrophobicContact CG2-CE1 3.5Å; V510-F577 VanDerWaalsContact CG2-CE1 3.5Å; V510-F577 PolarHBondContact N-O 2.95Å; V510-F577 PolarHBondContact O-N 3.47Å; F535-F577 HydrophobicContact CD1-CE1 4.38Å; F535-F577 HydrophobicContact CD1-CZ 4.09Å; F535-F577 HydrophobicContact CE1-CD1 4.12Å; F535-F577 HydrophobicContact CE1-CD2 4.46Å; F535-F577 AromaticContact CE1-CE1 3.43Å; F535-F577 HydrophobicContact CE1-CE1 3.43Å; F535-F577 VanDerWaalsContact CE1-CE1 3.43Å; F535-F577 AromaticContact CE1-CE2 3.76Å; F535-F577 HydrophobicContact CE1-CE2 3.76Å; F535-F577 AromaticContact CE1-CZ 3.23Å; F535-F577 HydrophobicContact CE1-CZ 3.23Å; F535-F577 HydrophobicContact CE2-CE2 4.15Å; F535-F577 HydrophobicContact CE2-CZ 4.33Å; F535-F577 HydrophobicContact CZ-CD1 4.34Å; F535-F577 AromaticContact CZ-CD2 3.93Å; F535-F577 HydrophobicContact CZ-CD2 3.93Å; F535-F577 AromaticContact CZ-CE1 3.89Å; F535-F577 HydrophobicContact CZ-CE1 3.89Å; F535-F577 AromaticContact CZ-CE2 3.35Å; F535-F577 HydrophobicContact CZ-CE2 3.35Å; F535-F577 HydrophobicContact CZ-CG 4.41Å; F535-F577 AromaticContact CZ-CZ 3.38Å; F535-F577 HydrophobicContact CZ-CZ 3.38Å; V537-F577 HydrophobicContact CG2-CD1 4.46Å; F577-A579 HydrophobicContact CD2-CB 4.44Å; F577-A579 HydrophobicContact CE2-CB 3.4Å; F577-A579 VanDerWaalsContact CE2-CB 3.4Å; F577-A579 HydrophobicContact CZ-CB 3.89Å; F577-L584 HydrophobicContact CD2-CD1 3.68Å; F577-L584 HydrophobicContact CE2-CD1 3.51Å; F577-E585 WeakPolarHBondContact CA-O 3.09Å; F577-L586 HydrophobicContact CB-CD1 4.05Å
578	R	89.6	Confident	86.7	Confident	87 Å²	87	48.5 Å²	48.5	33%	0.328	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	125.2	175.6	-56	176.6	178.5	-169.3	1.2	109.2	I508 E576 L584 E585 L587	I508-R578 CarbonylContact O-C 3.1Å; I508-R578 VanDerWaalsContact O-CA 3.25Å; I508-R578 WeakPolarHBondContact O-CA 3.11Å; E576-R578 HydrophobicContact CG-CG 4.48Å; E576-R578 IonicContact OE1-CZ 3.78Å; E576-R578 IonicContact OE1-NE 2.76Å; E576-R578 PolarHBondContact OE1-NE 2.03Å; E576-R578 IonicContact OE1-NH2 3.04Å; E576-R578 PolarHBondContact OE1-NH2 3.39Å; E576-R578 IonicContact OE2-NH2 3.48Å; R578-L584 CarbonylContact O-C 3.57Å; R578-L584 WeakPolarHBondContact O-CA 3.31Å; R578-E585 HydrophobicContact CB-CB 4.2Å; R578-E585 PolarHBondContact N-O 2.54Å; R578-E585 PolarHBondContact O-N 3.23Å; R578-L587 HydrophobicContact CG-CD1 4.43Å
579	A	89.1	Confident	85.8	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	145.2	169.1	0	0	0	0	0	111.6	W506 H507 I508 F577 L584	W506-A579 HydrophobicContact CH2-CB 4.13Å; W506-A579 HydrophobicContact CZ3-CB 3.8Å; H507-A579 PolarHBondContact ND1-O 2.9Å; I508-A579 HydrophobicContact CB-CB 4.37Å; I508-A579 HydrophobicContact CD1-CB 4.47Å; I508-A579 PolarHBondContact N-O 2.94Å; I508-A579 PolarHBondContact O-N 3.18Å; F577-A579 HydrophobicContact CD2-CB 4.44Å; F577-A579 HydrophobicContact CE2-CB 3.4Å; F577-A579 VanDerWaalsContact CE2-CB 3.4Å; F577-A579 HydrophobicContact CZ-CB 3.89Å; A579-L584 HydrophobicContact CB-CD1 3.77Å
580	N	86.5	Confident	84.8	Confident	41 Å²	41	58.3 Å²	58.3	22%	0.219	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	-169.5	160.9	62.4	47.9	0	0	0	108.7	W506 N582 N583	W506-N580 VanDerWaalsContact CH2-O 3.26Å; W506-N580 WeakPolarHBondContact CH2-O 3.08Å; N580-N582 PolarHBondContact O-N 3.3Å; N580-N582 WeakPolarHBondContact OD1-CA 3.38Å; N580-N582 PolarHBondContact OD1-N 2.84Å; N580-N583 PolarHBondContact N-O 3.49Å; N580-N583 PolarHBondContact ND2-OD1 3.1Å; N580-N583 PolarHBondContact OD1-N 3.25Å; N580-N583 PolarHBondContact OD1-OD1 3.19Å; N580-N583 VanDerWaalsContact OD1-OD1 3.11Å
581	R	83	Confident	84	Confident	125 Å²	125	58.7 Å²	58.7	47%	0.472	28%	0.283	S	S	.	.	S	Bend	trans	-61.4	-26.2	-178.9	-168.7	173	-178.3	-168.7	-3.2	114.7	D608	R581-D608 IonicContact NE-OD1 3.05Å; R581-D608 IonicContact NE-OD2 3.4Å
582	N	80.4	Confident	83.3	Confident	90 Å²	90	57.5 Å²	57.5	48%	0.481	28%	0.281	S	S	.	.	S	Bend	trans	-112.4	-25.8	-169.3	-59.2	-13.1	0	0	0	112.9	N580 Q597	N580-N582 PolarHBondContact O-N 3.3Å; N580-N582 WeakPolarHBondContact OD1-CA 3.38Å; N580-N582 PolarHBondContact OD1-N 2.84Å; N582-Q597 WeakPolarHBondContact O-CA 3Å; N582-Q597 VanDerWaalsContact O-CB 3.28Å; N582-Q597 WeakPolarHBondContact O-CB 3.01Å; N582-Q597 PolarHBondContact O-N 3.27Å; N582-Q597 VanDerWaalsContact O-N 3.14Å
583	N	81.3	Confident	82.4	Confident	38 Å²	38	56.5 Å²	56.5	20%	0.203	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	155.8	-176.4	73.6	11.8	0	0	0	112.8	N580 E585	N580-N583 PolarHBondContact N-O 3.49Å; N580-N583 PolarHBondContact ND2-OD1 3.1Å; N580-N583 PolarHBondContact OD1-N 3.25Å; N580-N583 PolarHBondContact OD1-OD1 3.19Å; N580-N583 VanDerWaalsContact OD1-OD1 3.11Å; N583-E585 PolarHBondContact ND2-OE1 2.84Å
584	L	84.4	Confident	81.6	Confident	2 Å²	2	59.6 Å²	59.6	1%	0.01	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	117.2	168.5	179.8	70.8	0	0	0	107.3	F535 L552 I559 F577 R578 A579 I595 L600	F535-L584 HydrophobicContact CE2-CD1 4.36Å; L552-L584 HydrophobicContact CD1-CD1 4.42Å; L552-L584 HydrophobicContact CD1-CD2 3.86Å; L552-L584 HydrophobicContact CD1-CG 4.31Å; I559-L584 HydrophobicContact CD1-CD2 3.31Å; I559-L584 HydrophobicContact CG1-CD2 4.36Å; F577-L584 HydrophobicContact CD2-CD1 3.68Å; F577-L584 HydrophobicContact CE2-CD1 3.51Å; R578-L584 CarbonylContact O-C 3.57Å; R578-L584 WeakPolarHBondContact O-CA 3.31Å; A579-L584 HydrophobicContact CB-CD1 3.77Å; L584-I595 HydrophobicContact CD2-CD1 4.24Å; L584-I595 PolarHBondContact N-O 2.05Å; L584-I595 PolarHBondContact O-N 3.46Å; L584-L600 HydrophobicContact CD2-CD1 4.32Å
585	E	84.3	Confident	80.8	Confident	46 Å²	46	56.2 Å²	56.2	22%	0.215	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	135.7	178.3	-67	168.6	-162.9	0	0	109.3	F577 R578 N583 E593 T594	F577-E585 WeakPolarHBondContact CA-O 3.09Å; R578-E585 HydrophobicContact CB-CB 4.2Å; R578-E585 PolarHBondContact N-O 2.54Å; R578-E585 PolarHBondContact O-N 3.23Å; N583-E585 PolarHBondContact ND2-OE1 2.84Å; E585-E593 WeakPolarHBondContact CA-O 3.31Å; E585-T594 HydrophobicContact CG-CG2 3.72Å
586	L	82.4	Confident	79.8	Confident	10 Å²	10	58.2 Å²	58.2	5%	0.052	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	120.4	176.6	-172.9	61.4	0	0	0	108.9	L552 Y560 I562 F577 E593	L552-L586 HydrophobicContact CD1-CD1 4.42Å; L552-L586 HydrophobicContact CD1-CD2 3.9Å; L552-L586 HydrophobicContact CG-CD2 4.37Å; Y560-L586 HydrophobicContact CD1-CD2 3.78Å; Y560-L586 HydrophobicContact CE1-CD2 3.78Å; I562-L586 HydrophobicContact CD1-CD1 4.43Å; I562-L586 HydrophobicContact CD1-CD2 3.13Å; I562-L586 HydrophobicContact CD1-CG 3.65Å; I562-L586 HydrophobicContact CG1-CD2 3.47Å; I562-L586 VanDerWaalsContact CG1-CD2 3.47Å; I562-L586 HydrophobicContact CG1-CG 4.43Å; F577-L586 HydrophobicContact CB-CD1 4.05Å; L586-E593 PolarHBondContact N-O 3.27Å; L586-E593 PolarHBondContact O-N 3.19Å
587	L	81.4	Confident	78.6	Confident	32 Å²	32	60.3 Å²	60.3	17%	0.168	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	117.9	-174.3	-72.2	135.6	0	0	0	107.9	E576 R578 I592	E576-L587 HydrophobicContact CB-CB 3.9Å; E576-L587 HydrophobicContact CB-CD1 4.49Å; E576-L587 HydrophobicContact CG-CB 4.34Å; E576-L587 HydrophobicContact CG-CD1 4Å; E576-L587 PolarHBondContact N-O 2.86Å; E576-L587 PolarHBondContact O-N 3.46Å; R578-L587 HydrophobicContact CG-CD1 4.43Å; L587-I592 HydrophobicContact CD2-CB 4.23Å; L587-I592 HydrophobicContact CD2-CD1 3.78Å; L587-I592 HydrophobicContact CD2-CG1 3.8Å; L587-I592 HydrophobicContact CD2-CG2 3.64Å; L587-I592 HydrophobicContact CG-CG2 4.19Å
588	T	78.4	Confident	77.8	Confident	14 Å²	14	68.2 Å²	68.2	9%	0.086	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	158.6	167.9	66.5	0	0	0	0	109.2	I562 L575 L590 K591	I562-T588 HydrophobicContact CD1-CG2 3.46Å; I562-T588 VanDerWaalsContact CD1-CG2 3.46Å; L575-T588 HydrophobicContact CD2-CG2 3.75Å; T588-L590 PolarHBondContact O-N 3.24Å; T588-K591 PolarHBondContact N-O 2.55Å; T588-K591 PolarHBondContact O-N 2.9Å; T588-K591 VanDerWaalsContact O-N 3.15Å; T588-K591 VanDerWaalsContact O-O 3.09Å; T588-K591 PolarHBondContact OG1-N 3.09Å; T588-K591 PolarHBondContact OG1-O 2.78Å
589	P	70.1	Confident	76.9	Confident	103 Å²	103	70.7 Å²	70.7	67%	0.669	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-21.7	176.7	-28.5	33.7	0	0	0	114.2	H574	H574-P589 HydrophobicContact CB-CG 4.21Å; H574-P589 WeakPolarHBondContact O-CD 3.42Å
590	L	67.9	Low	76.4	Confident	154 Å²	154	71.3 Å²	71.3	81%	0.806	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.9	-23.1	-176.9	-63.3	171.9	0	0	0	113.3	L565 T588	L565-L590 HydrophobicContact CD2-CD1 4.44Å; T588-L590 PolarHBondContact O-N 3.24Å
591	K	70.2	Confident	76.2	Confident	112 Å²	112	74.6 Å²	74.6	49%	0.487	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	134.9	-168.5	-154.6	178	-165.6	-170.1	0	111.6	T588 E593	T588-K591 PolarHBondContact N-O 2.55Å; T588-K591 PolarHBondContact O-N 2.9Å; T588-K591 VanDerWaalsContact O-N 3.15Å; T588-K591 VanDerWaalsContact O-O 3.09Å; T588-K591 PolarHBondContact OG1-N 3.09Å; T588-K591 PolarHBondContact OG1-O 2.78Å; K591-E593 HydrophobicContact CD-CG 4.17Å; K591-E593 WeakPolarHBondContact CD-OE1 3.3Å; K591-E593 WeakPolarHBondContact CE-OE1 3.44Å; K591-E593 HydrophobicContact CG-CG 4.19Å; K591-E593 IonicContact NZ-OE1 2.84Å; K591-E593 PolarHBondContact NZ-OE1 3.36Å
592	I	73.3	Confident	76.3	Confident	120 Å²	120	73.3 Å²	73.3	62%	0.615	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109	125.8	168.7	-50.4	-173.4	0	0	0	107.1	L587	L587-I592 HydrophobicContact CD2-CB 4.23Å; L587-I592 HydrophobicContact CD2-CD1 3.78Å; L587-I592 HydrophobicContact CD2-CG1 3.8Å; L587-I592 HydrophobicContact CD2-CG2 3.64Å; L587-I592 HydrophobicContact CG-CG2 4.19Å
593	E	72.3	Confident	76.6	Confident	50 Å²	50	71.2 Å²	71.2	23%	0.234	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	135.2	172	-72.3	-162.2	-150.9	0	0	111.4	Y560 E585 L586 K591	Y560-E593 WeakPolarHBondContact CE2-OE2 3.17Å; Y560-E593 PolarHBondContact OH-OE1 3.05Å; Y560-E593 PolarHBondContact OH-OE2 3.2Å; E585-E593 WeakPolarHBondContact CA-O 3.31Å; L586-E593 PolarHBondContact N-O 3.27Å; L586-E593 PolarHBondContact O-N 3.19Å; K591-E593 HydrophobicContact CD-CG 4.17Å; K591-E593 WeakPolarHBondContact CD-OE1 3.3Å; K591-E593 WeakPolarHBondContact CE-OE1 3.44Å; K591-E593 HydrophobicContact CG-CG 4.19Å; K591-E593 IonicContact NZ-OE1 2.84Å; K591-E593 PolarHBondContact NZ-OE1 3.36Å
594	T	75.3	Confident	76.8	Confident	87 Å²	87	70 Å²	70	53%	0.534	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	121.7	177.8	-55.6	0	0	0	0	107.7	E585	E585-T594 HydrophobicContact CG-CG2 3.72Å
595	I	73.9	Confident	77	Confident	18 Å²	18	72.6 Å²	72.6	9%	0.092	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	124.3	178.5	-51.1	161	0	0	0	107.4	Y560 L584 E599 L600	Y560-I595 HydrophobicContact CD1-CD1 4.29Å; Y560-I595 HydrophobicContact CD2-CD1 3.32Å; Y560-I595 HydrophobicContact CD2-CG1 4.14Å; Y560-I595 HydrophobicContact CE2-CD1 4.07Å; Y560-I595 HydrophobicContact CG-CD1 3.47Å; Y560-I595 VanDerWaalsContact CG-CD1 3.47Å; L584-I595 HydrophobicContact CD2-CD1 4.24Å; L584-I595 PolarHBondContact N-O 2.05Å; L584-I595 PolarHBondContact O-N 3.46Å; I595-E599 HydrophobicContact CG2-CB 4.26Å; I595-E599 WeakPolarHBondContact CG2-OE2 3.44Å; I595-L600 HydrophobicContact CB-CD1 4.08Å; I595-L600 HydrophobicContact CD1-CD1 4.38Å; I595-L600 HydrophobicContact CG2-CD1 3.37Å; I595-L600 HydrophobicContact CG2-CG 3.75Å
596	S	69.9	Low	77.2	Confident	52 Å²	52	72.9 Å²	72.9	36%	0.364	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	161.4	-172.5	75.2	0	0	0	0	112.1	E598 E599	S596-E598 VanDerWaalsContact C-N 3.26Å; S596-E598 PolarHBondContact O-N 2.9Å; S596-E599 PolarHBondContact O-N 3.2Å
597	Q	68.4	Low	77.6	Confident	77 Å²	77	72.5 Å²	72.5	36%	0.36	39%	0.385	S	S	.	.	H	α-helix	trans	-54.3	-40.9	179.1	-159.5	-176.6	-34.9	0	0	112.6	N582 E599 L600 Q601 L604	N582-Q597 WeakPolarHBondContact O-CA 3Å; N582-Q597 VanDerWaalsContact O-CB 3.28Å; N582-Q597 WeakPolarHBondContact O-CB 3.01Å; N582-Q597 PolarHBondContact O-N 3.27Å; N582-Q597 VanDerWaalsContact O-N 3.14Å; Q597-E599 PolarHBondContact O-N 3.27Å; Q597-L600 CarbonylContact O-C 3.56Å; Q597-L600 PolarHBondContact O-N 3.31Å; Q597-L600 VanDerWaalsContact O-N 3.11Å; Q597-Q601 HydrophobicContact CG-CG 4.22Å; Q597-Q601 WeakPolarHBondContact O-CA 3.48Å; Q597-Q601 WeakPolarHBondContact O-CG 3.48Å; Q597-Q601 PolarHBondContact O-N 3.33Å; Q597-L604 HydrophobicContact CG-CD1 4.32Å
598	E	71.3	Confident	77.9	Confident	175 Å²	175	71.7 Å²	71.7	82%	0.818	38%	0.381	S	S	*	.	H	α-helix	trans	-58.6	-31.7	-175.2	-69.4	-176.3	173.8	0	0	113	S596	S596-E598 VanDerWaalsContact C-N 3.26Å; S596-E598 PolarHBondContact O-N 2.9Å
599	E	70	Confident	78.5	Confident	138 Å²	138	78.8 Å²	78.8	65%	0.645	41%	0.411	S	S	*	.	H	α-helix	trans	-83.3	-25.1	-179.4	-65.3	169.9	150.7	0	0	112.9	I595 S596 Q597	I595-E599 HydrophobicContact CG2-CB 4.26Å; I595-E599 WeakPolarHBondContact CG2-OE2 3.44Å; S596-E599 PolarHBondContact O-N 3.2Å; Q597-E599 PolarHBondContact O-N 3.27Å
600	L	78.6	Confident	79.4	Confident	14 Å²	14	74.5 Å²	74.5	7%	0.073	38%	0.384	C	S	.	.	H	α-helix	trans	-127.9	23.9	-172.1	-70.2	179.3	0	0	0	114.2	I559 L584 I595 Q597 T602 Q603 L604	I559-L600 HydrophobicContact CB-CD1 4.38Å; I559-L600 HydrophobicContact CB-CD2 3.88Å; I559-L600 HydrophobicContact CD1-CD1 4.42Å; I559-L600 HydrophobicContact CG2-CD2 3.99Å; L584-L600 HydrophobicContact CD2-CD1 4.32Å; I595-L600 HydrophobicContact CB-CD1 4.08Å; I595-L600 HydrophobicContact CD1-CD1 4.38Å; I595-L600 HydrophobicContact CG2-CD1 3.37Å; I595-L600 HydrophobicContact CG2-CG 3.75Å; Q597-L600 CarbonylContact O-C 3.56Å; Q597-L600 PolarHBondContact O-N 3.31Å; Q597-L600 VanDerWaalsContact O-N 3.11Å; L600-T602 VanDerWaalsContact C-N 3.3Å; L600-T602 PolarHBondContact O-N 3.23Å; L600-Q603 PolarHBondContact O-N 3.47Å; L600-Q603 VanDerWaalsContact O-N 3.13Å; L600-L604 HydrophobicContact CB-CD1 4.22Å; L600-L604 HydrophobicContact CB-CG 4.17Å; L600-L604 PolarHBondContact O-N 3.48Å
601	Q	82.4	Confident	80.4	Confident	110 Å²	110	67.9 Å²	67.9	51%	0.514	35%	0.349	S	S	.	.	H	α-helix	trans	-50.3	-47.1	-173.3	-79.4	-128.1	-15.7	0	0	113.4	Q597 A605	Q597-Q601 HydrophobicContact CG-CG 4.22Å; Q597-Q601 WeakPolarHBondContact O-CA 3.48Å; Q597-Q601 WeakPolarHBondContact O-CG 3.48Å; Q597-Q601 PolarHBondContact O-N 3.33Å; Q601-A605 VanDerWaalsContact O-CB 3.31Å; Q601-A605 WeakPolarHBondContact O-CB 3.38Å; Q601-A605 PolarHBondContact O-N 2.71Å; Q601-A605 VanDerWaalsContact O-N 3.07Å
602	T	85.3	Confident	81.2	Confident	98 Å²	98	69.8 Å²	69.8	60%	0.601	36%	0.357	S	S	*	.	H	α-helix	trans	-65.8	-42.8	-176.9	-51.5	0	0	0	0	111.7	L600 A605 I606	L600-T602 VanDerWaalsContact C-N 3.3Å; L600-T602 PolarHBondContact O-N 3.23Å; T602-A605 WeakPolarHBondContact O-CB 3.48Å; T602-A605 PolarHBondContact O-N 2.96Å; T602-I606 WeakPolarHBondContact O-CG1 3.03Å; T602-I606 PolarHBondContact O-N 2.81Å; T602-I606 VanDerWaalsContact O-N 3.08Å
603	Q	87.6	Confident	81.8	Confident	46 Å²	46	66.2 Å²	66.2	22%	0.215	35%	0.35	C	S	.	.	H	α-helix	trans	-76.2	-40.4	-174.1	-68.6	79.6	-4.4	0	0	111.4	V554 I559 L600 A605 I606 L607	V554-Q603 HydrophobicContact CB-CB 4.22Å; V554-Q603 HydrophobicContact CB-CG 4.48Å; V554-Q603 HydrophobicContact CG1-CB 4.21Å; V554-Q603 HydrophobicContact CG2-CB 4.31Å; I559-Q603 HydrophobicContact CG2-CB 3.91Å; I559-Q603 HydrophobicContact CG2-CG 3.72Å; L600-Q603 PolarHBondContact O-N 3.47Å; L600-Q603 VanDerWaalsContact O-N 3.13Å; Q603-A605 VanDerWaalsContact C-N 3.26Å; Q603-A605 PolarHBondContact O-N 3.36Å; Q603-I606 PolarHBondContact O-N 3.46Å; Q603-L607 PolarHBondContact O-N 3.07Å
604	L	86.3	Confident	82.6	Confident	11 Å²	11	71.8 Å²	71.8	6%	0.058	37%	0.374	C	S	.	.	H	α-helix	trans	-64.2	-32.7	171.3	-70.5	174.3	0	0	0	111.6	Q597 L600 L607 D608	Q597-L604 HydrophobicContact CG-CD1 4.32Å; L600-L604 HydrophobicContact CB-CD1 4.22Å; L600-L604 HydrophobicContact CB-CG 4.17Å; L600-L604 PolarHBondContact O-N 3.48Å; L604-L607 PolarHBondContact O-N 3.26Å; L604-D608 VanDerWaalsContact O-CB 3.28Å; L604-D608 WeakPolarHBondContact O-CB 3Å; L604-D608 PolarHBondContact O-N 3.43Å
605	A	88.3	Confident	83.4	Confident	57 Å²	57	68.3 Å²	68.3	47%	0.471	35%	0.352	S	S	.	.	H	α-helix	trans	-68.1	-37.1	173.7	0	0	0	0	0	112.9	Q601 T602 Q603 K609	Q601-A605 VanDerWaalsContact O-CB 3.31Å; Q601-A605 WeakPolarHBondContact O-CB 3.38Å; Q601-A605 PolarHBondContact O-N 2.71Å; Q601-A605 VanDerWaalsContact O-N 3.07Å; T602-A605 WeakPolarHBondContact O-CB 3.48Å; T602-A605 PolarHBondContact O-N 2.96Å; Q603-A605 VanDerWaalsContact C-N 3.26Å; Q603-A605 PolarHBondContact O-N 3.36Å; A605-K609 WeakPolarHBondContact O-CB 3.31Å; A605-K609 PolarHBondContact O-N 2.92Å
606	I	88.9	Confident	84.5	Confident	52 Å²	52	68.3 Å²	68.3	27%	0.267	36%	0.355	S	S	.	.	H	α-helix	trans	-62	-49.2	172.7	-68.4	165.8	0	0	0	109.9	V554 E555 T602 Q603 K609 A610	V554-I606 HydrophobicContact CG1-CB 4.05Å; V554-I606 HydrophobicContact CG1-CG2 3.85Å; E555-I606 HydrophobicContact CG-CG2 4.21Å; T602-I606 WeakPolarHBondContact O-CG1 3.03Å; T602-I606 PolarHBondContact O-N 2.81Å; T602-I606 VanDerWaalsContact O-N 3.08Å; Q603-I606 PolarHBondContact O-N 3.46Å; I606-K609 WeakPolarHBondContact O-CB 3.03Å; I606-K609 PolarHBondContact O-N 2.71Å; I606-A610 PolarHBondContact O-N 2.93Å
607	L	89.1	Confident	85.7	Confident	3 Å²	3	65.9 Å²	65.9	2%	0.016	34%	0.338	C	S	.	.	H	α-helix	trans	-61.1	-47.1	177.6	-175.9	55.5	0	0	0	111.2	W506 P534 F535 Q603 L604 K609 A610 M611	W506-L607 HydrophobicContact CH2-CD2 3.48Å; W506-L607 VanDerWaalsContact CH2-CD2 3.48Å; W506-L607 HydrophobicContact CH2-CG 3.74Å; W506-L607 HydrophobicContact CZ2-CD2 4.14Å; W506-L607 HydrophobicContact CZ2-CG 3.93Å; W506-L607 HydrophobicContact CZ3-CD2 4.18Å; P534-L607 HydrophobicContact CB-CD1 4.16Å; F535-L607 HydrophobicContact CB-CD1 3.95Å; F535-L607 HydrophobicContact CD2-CD2 4.36Å; Q603-L607 PolarHBondContact O-N 3.07Å; L604-L607 PolarHBondContact O-N 3.26Å; L607-K609 VanDerWaalsContact C-N 3.28Å; L607-K609 PolarHBondContact O-N 3.35Å; L607-A610 WeakPolarHBondContact O-CB 3.42Å; L607-A610 PolarHBondContact O-N 3.46Å; L607-M611 HydrophobicContact CD1-CG 4.05Å; L607-M611 HydrophobicContact CD1-SD 4.25Å; L607-M611 HydrophobicContact CG-CG 4.26Å; L607-M611 VanDerWaalsContact O-CG 3.23Å; L607-M611 WeakPolarHBondContact O-CG 3.37Å; L607-M611 PolarHBondContact O-N 2.81Å
608	D	89.4	Confident	87.1	Confident	14 Å²	14	63.4 Å²	63.4	8%	0.075	33%	0.325	C	S	.	.	H	α-helix	trans	-57.7	-39.1	176.8	-173.6	64.3	0	0	0	112.8	W506 R581 L604 K612	W506-D608 PolarHBondContact NE1-OD1 3.3Å; R581-D608 IonicContact NE-OD1 3.05Å; R581-D608 IonicContact NE-OD2 3.4Å; L604-D608 VanDerWaalsContact O-CB 3.28Å; L604-D608 WeakPolarHBondContact O-CB 3Å; L604-D608 PolarHBondContact O-N 3.43Å; D608-K612 WeakPolarHBondContact O-CG 3.25Å; D608-K612 PolarHBondContact O-N 3.49Å; D608-K612 WeakPolarHBondContact OD2-CE 3.46Å; D608-K612 IonicContact OD2-NZ 2.92Å; D608-K612 PolarHBondContact OD2-NZ 3.49Å
609	K	89.8	Confident	88.4	Confident	164 Å²	164	55.1 Å²	55.1	71%	0.713	29%	0.287	S	S	*	.	H	α-helix	trans	-65.3	-41.9	174.5	-176.1	-177.1	177.1	-174	0	111.6	A605 I606 L607 K612	A605-K609 WeakPolarHBondContact O-CB 3.31Å; A605-K609 PolarHBondContact O-N 2.92Å; I606-K609 WeakPolarHBondContact O-CB 3.03Å; I606-K609 PolarHBondContact O-N 2.71Å; L607-K609 VanDerWaalsContact C-N 3.28Å; L607-K609 PolarHBondContact O-N 3.35Å; K609-K612 PolarHBondContact O-N 3.2Å
610	A	89.9	Confident	89.7	Confident	13 Å²	13	48.5 Å²	48.5	11%	0.107	26%	0.256	C	S	.	.	H	α-helix	trans	-67	-40.1	178.6	0	0	0	0	0	112.2	P534 I606 L607 K612 G613 V615	P534-A610 HydrophobicContact CB-CB 3.42Å; P534-A610 VanDerWaalsContact CB-CB 3.42Å; P534-A610 HydrophobicContact CG-CB 3.82Å; I606-A610 PolarHBondContact O-N 2.93Å; L607-A610 WeakPolarHBondContact O-CB 3.42Å; L607-A610 PolarHBondContact O-N 3.46Å; A610-K612 PolarHBondContact O-N 2.93Å; A610-G613 WeakPolarHBondContact O-CA 3.2Å; A610-G613 PolarHBondContact O-N 3.14Å; A610-V615 WeakPolarHBondContact O-CG2 3.42Å
611	M	89.1	Confident	90.5	Very high	15 Å²	15	47.9 Å²	47.9	7%	0.074	25%	0.252	C	S	.	.	H	α-helix	trans	-67.2	-19.8	179.9	-64.7	-57.1	-72.8	0	0	113.7	Y497 W506 I508 L526 L607 G613 V615	Y497-M611 HydrophobicContact CD2-CE 3.83Å; Y497-M611 HydrophobicContact CG-CE 3.66Å; W506-M611 HydrophobicContact CB-CB 4.42Å; W506-M611 HydrophobicContact CB-CE 4.11Å; W506-M611 HydrophobicContact CD2-CB 4.08Å; W506-M611 HydrophobicContact CD2-CE 4.19Å; W506-M611 HydrophobicContact CD2-CG 3.75Å; W506-M611 HydrophobicContact CE3-CE 4.11Å; W506-M611 HydrophobicContact CE3-CG 4.21Å; W506-M611 HydrophobicContact CG-CB 3.78Å; W506-M611 HydrophobicContact CG-CE 4.2Å; W506-M611 HydrophobicContact CG-CG 3.98Å; W506-M611 HydrophobicContact CZ2-CG 4.31Å; I508-M611 HydrophobicContact CD1-CE 4.01Å; I508-M611 HydrophobicContact CD1-SD 4.29Å; I508-M611 HydrophobicContact CG1-CE 4.09Å; L526-M611 HydrophobicContact CD1-SD 4.05Å; L607-M611 HydrophobicContact CD1-CG 4.05Å; L607-M611 HydrophobicContact CD1-SD 4.25Å; L607-M611 HydrophobicContact CG-CG 4.26Å; L607-M611 VanDerWaalsContact O-CG 3.23Å; L607-M611 WeakPolarHBondContact O-CG 3.37Å; L607-M611 PolarHBondContact O-N 2.81Å; M611-G613 VanDerWaalsContact C-N 3.26Å; M611-V615 HydrophobicContact SD-CG2 4.33Å
612	K	87	Confident	91.1	Very high	151 Å²	151	42.9 Å²	42.9	66%	0.657	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-18.6	169.1	-70.7	167.7	-171.2	155.6	0	113.1	D608 K609 A610	D608-K612 WeakPolarHBondContact O-CG 3.25Å; D608-K612 PolarHBondContact O-N 3.49Å; D608-K612 WeakPolarHBondContact OD2-CE 3.46Å; D608-K612 IonicContact OD2-NZ 2.92Å; D608-K612 PolarHBondContact OD2-NZ 3.49Å; K609-K612 PolarHBondContact O-N 3.2Å; A610-K612 PolarHBondContact O-N 2.93Å
613	G	85.4	Confident	91.6	Very high	45 Å²	45	39.3 Å²	39.3	46%	0.464	21%	0.208	S	C	.	.	S	Bend	trans	-94.5	-170.4	176.6	0	0	0	0	0	112.6	A610 M611	A610-G613 WeakPolarHBondContact O-CA 3.2Å; A610-G613 PolarHBondContact O-N 3.14Å; M611-G613 VanDerWaalsContact C-N 3.26Å
614	K	88.1	Confident	91.8	Very high	168 Å²	168	43.9 Å²	43.9	73%	0.73	23%	0.234	S	C	*	.			trans	-83.6	126.9	169.5	-69	-176	178.2	-176.4	0	109.5
615	V	93.3	Very high	92.1	Very high	13 Å²	13	44.2 Å²	44.2	8%	0.079	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	136.5	177.1	-179.3	0	0	0	0	108.4	L526 A610 M611	L526-V615 HydrophobicContact CB-CG1 3.61Å; L526-V615 HydrophobicContact CD1-CG1 4.32Å; L526-V615 HydrophobicContact CD2-CG1 3.99Å; L526-V615 HydrophobicContact CG-CG1 4.17Å; A610-V615 WeakPolarHBondContact O-CG2 3.42Å; M611-V615 HydrophobicContact SD-CG2 4.33Å
616	A	95.5	Very high	92.2	Very high	19 Å²	19	44.8 Å²	44.8	16%	0.157	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	142.5	171.5	0	0	0	0	0	109.6	V527 Y618	V527-A616 PolarHBondContact N-O 2.03Å; V527-A616 PolarHBondContact O-N 3.47Å; A616-Y618 HydrophobicContact CB-CD2 4.35Å; A616-Y618 HydrophobicContact CB-CE2 3.68Å
617	T	96.8	Very high	92.1	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	119.2	-179.5	-54.6	0	0	0	0	108.9	E492 F493 I495 Y497 L524 L526 I644	E492-T617 WeakPolarHBondContact CA-O 3.32Å; F493-T617 PolarHBondContact N-O 2.79Å; F493-T617 PolarHBondContact O-N 2.88Å; I495-T617 HydrophobicContact CD1-CG2 4.19Å; Y497-T617 WeakPolarHBondContact CE2-OG1 3.48Å; Y497-T617 WeakPolarHBondContact OH-CG2 3.3Å; Y497-T617 PolarHBondContact OH-OG1 3.37Å; L524-T617 HydrophobicContact CD1-CG2 4.38Å; L524-T617 HydrophobicContact CG-CG2 4.42Å; L526-T617 HydrophobicContact CD2-CG2 4.19Å; L526-T617 WeakPolarHBondContact CD2-OG1 3.3Å; T617-I644 HydrophobicContact CG2-CD1 4.09Å
618	Y	97.5	Very high	91.9	Very high	25 Å²	25	47.7 Å²	47.7	10%	0.098	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	135.6	177.4	-71.2	-87.2	0	0	0	110.6	I490 A491 E492 L524 A525 V527 A616 P623	I490-Y618 HydrophobicContact CB-CD1 4.45Å; I490-Y618 HydrophobicContact CD1-CD1 3.56Å; I490-Y618 HydrophobicContact CD1-CE1 3.69Å; I490-Y618 HydrophobicContact CG1-CD1 4.33Å; A491-Y618 CarbonylContact O-C 3.07Å; A491-Y618 VanDerWaalsContact O-CA 3.32Å; A491-Y618 WeakPolarHBondContact O-CA 3.03Å; E492-Y618 HydrophobicContact CB-CD1 4.08Å; E492-Y618 HydrophobicContact CB-CE1 3.69Å; E492-Y618 HydrophobicContact CG-CD1 4.34Å; E492-Y618 HydrophobicContact CG-CE1 3.71Å; E492-Y618 HydrophobicContact CG-CE2 4.46Å; E492-Y618 PolarHBondContact OE2-OH 2.81Å; E492-Y618 VanDerWaalsContact OE2-OH 3.07Å; L524-Y618 CarbonylContact C-O 3.5Å; L524-Y618 WeakPolarHBondContact CA-O 3.48Å; A525-Y618 PolarHBondContact N-O 3.45Å; A525-Y618 PolarHBondContact O-N 3.16Å; V527-Y618 HydrophobicContact CB-CD2 3.78Å; V527-Y618 HydrophobicContact CB-CE2 3.72Å; V527-Y618 HydrophobicContact CG1-CE2 4.37Å; V527-Y618 HydrophobicContact CG2-CD2 3.45Å; V527-Y618 VanDerWaalsContact CG2-CD2 3.45Å; V527-Y618 HydrophobicContact CG2-CE2 3.86Å; V527-Y618 HydrophobicContact CG2-CG 4.39Å; A616-Y618 HydrophobicContact CB-CD2 4.35Å; A616-Y618 HydrophobicContact CB-CE2 3.68Å; Y618-P623 HydrophobicContact CD1-CG 4.32Å; Y618-P623 HydrophobicContact CD2-CG 4.13Å; Y618-P623 HydrophobicContact CE1-CB 4.02Å; Y618-P623 HydrophobicContact CE1-CG 4Å; Y618-P623 HydrophobicContact CE2-CG 3.77Å; Y618-P623 HydrophobicContact CG-CG 4.38Å
619	L	97.9	Very high	92	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.005	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	142.9	173.8	-60	-174.4	0	0	0	110.8	Y485 I490 A491 F493 M523 L524 G621 M640 V642 L649	Y485-L619 HydrophobicContact CE1-CB 4.13Å; I490-L619 WeakPolarHBondContact CA-O 3.21Å; A491-L619 PolarHBondContact N-O 3.5Å; A491-L619 PolarHBondContact O-N 3.47Å; F493-L619 HydrophobicContact CD2-CD1 4.32Å; F493-L619 HydrophobicContact CD2-CG 4.47Å; F493-L619 HydrophobicContact CE2-CD1 3.93Å; F493-L619 HydrophobicContact CE2-CG 4.46Å; M523-L619 WeakPolarHBondContact O-CA 3.4Å; L524-L619 HydrophobicContact CB-CD2 4.03Å; L524-L619 HydrophobicContact CD1-CD2 3.88Å; L524-L619 HydrophobicContact CG-CD2 3.98Å; L619-G621 VanDerWaalsContact C-N 3.27Å; L619-G621 PolarHBondContact O-N 3.42Å; L619-M640 HydrophobicContact CB-CE 4.23Å; L619-V642 HydrophobicContact CD1-CB 4.07Å; L619-V642 HydrophobicContact CD1-CG1 4.34Å; L619-V642 HydrophobicContact CD1-CG2 3.77Å; L619-V642 HydrophobicContact CD2-CG1 4.22Å; L619-V642 HydrophobicContact CD2-CG2 4.15Å; L619-L649 HydrophobicContact CD1-CD1 4.01Å
620	G	96.8	Very high	92.1	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.22	C	C	.	.	S	Bend	trans	79	2.5	173.5	0	0	0	0	0	115.5	V522 M523 F635 Y636	V522-G620 CarbonylContact O-C 3.59Å; V522-G620 WeakPolarHBondContact O-CA 3.35Å; M523-G620 PolarHBondContact O-N 3.49Å; G620-F635 WeakPolarHBondContact O-CA 3.45Å; G620-Y636 PolarHBondContact O-N 2.92Å
621	G	96.4	Very high	92.2	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.229	C	C	.	.	S	Bend	trans	164.6	-162	-178.2	0	0	0	0	0	113.2	I490 V522 L619	I490-G621 VanDerWaalsContact CG2-C 3.47Å; I490-G621 VanDerWaalsContact CG2-CA 3.49Å; V522-G621 PolarHBondContact O-N 3.27Å; V522-G621 VanDerWaalsContact O-N 3.12Å; L619-G621 VanDerWaalsContact C-N 3.27Å; L619-G621 PolarHBondContact O-N 3.42Å
622	L	95.4	Very high	92.5	Very high	5 Å²	5	41.3 Å²	41.3	3%	0.026	23%	0.229	C	C	.	.			trans	-125.1	150.8	176.8	-62.9	164	0	0	0	110.8	V522 A525 V527 V533 V625 T630 V632 N633	V522-L622 HydrophobicContact CG1-CD2 4.33Å; V522-L622 HydrophobicContact CG1-CG 4.28Å; V522-L622 HydrophobicContact CG2-CD1 4.13Å; V522-L622 HydrophobicContact CG2-CG 4.19Å; A525-L622 HydrophobicContact CB-CD2 3.31Å; V527-L622 HydrophobicContact CG2-CD2 4.41Å; V533-L622 HydrophobicContact CG1-CD2 4.12Å; V533-L622 HydrophobicContact CG2-CD2 4.04Å; L622-V625 HydrophobicContact CB-CG2 4.08Å; L622-V625 HydrophobicContact CD1-CG2 4.21Å; L622-T630 HydrophobicContact CD1-CG2 3.22Å; L622-T630 HydrophobicContact CD2-CG2 4.42Å; L622-T630 HydrophobicContact CG-CG2 4.43Å; L622-V632 WeakPolarHBondContact CD1-O 3.29Å; L622-N633 HydrophobicContact CD1-CB 4.44Å
623	P	94.6	Very high	92.8	Very high	24 Å²	24	35 Å²	35	16%	0.156	20%	0.203	C	C	.	.			trans	-69.5	-168.6	168.2	31.8	-33.8	0	0	0	111	K270 I490 V527 Y618 V625	K270-P623 PolarHBondContact NZ-O 3.09Å; I490-P623 HydrophobicContact CD1-CB 3.99Å; V527-P623 HydrophobicContact CG1-CG 4.17Å; V527-P623 HydrophobicContact CG2-CG 4.1Å; Y618-P623 HydrophobicContact CD1-CG 4.32Å; Y618-P623 HydrophobicContact CD2-CG 4.13Å; Y618-P623 HydrophobicContact CE1-CB 4.02Å; Y618-P623 HydrophobicContact CE1-CG 4Å; Y618-P623 HydrophobicContact CE2-CG 3.77Å; Y618-P623 HydrophobicContact CG-CG 4.38Å; P623-V625 VanDerWaalsContact C-N 3.25Å; P623-V625 HydrophobicContact CG-CG1 4.12Å; P623-V625 PolarHBondContact O-N 2.99Å
624	D	91.8	Very high	93.3	Very high	141 Å²	141	33.1 Å²	33.1	75%	0.754	18%	0.182	S	C	*	.	S	Bend	trans	-74.3	79.1	175.9	-70.5	-23.5	0	0	0	111.5	K270	K270-D624 IonicContact NZ-OD1 2.74Å; K270-D624 PolarHBondContact NZ-OD1 3.21Å
625	V	92.9	Very high	93.7	Very high	18 Å²	18	26.5 Å²	26.5	11%	0.109	15%	0.153	C	C	.	.			trans	-104.8	158.1	170.9	-63.9	0	0	0	0	110.7	V527 N531 V533 L622 P623 A629	V527-V625 HydrophobicContact CG1-CG1 4.06Å; N531-V625 HydrophobicContact CB-CG1 4.35Å; V533-V625 HydrophobicContact CG2-CB 4.46Å; V533-V625 HydrophobicContact CG2-CG1 4.34Å; V533-V625 HydrophobicContact CG2-CG2 4.08Å; L622-V625 HydrophobicContact CB-CG2 4.08Å; L622-V625 HydrophobicContact CD1-CG2 4.21Å; P623-V625 VanDerWaalsContact C-N 3.25Å; P623-V625 HydrophobicContact CG-CG1 4.12Å; P623-V625 PolarHBondContact O-N 2.99Å; V625-A629 HydrophobicContact CB-CB 4.18Å; V625-A629 HydrophobicContact CG2-CB 4.19Å
626	P	91	Very high	93.9	Very high	70 Å²	70	25.9 Å²	25.9	46%	0.455	15%	0.15	S	C	.	.			trans	-54.3	143.8	172.7	-24.9	34.5	0	0	0	111.9	S628 A629	P626-S628 PolarHBondContact O-N 3.48Å; P626-S628 VanDerWaalsContact O-N 3.16Å; P626-A629 WeakPolarHBondContact O-CB 3.32Å; P626-A629 PolarHBondContact O-N 2.86Å
627	F	85.5	Confident	94	Very high	68 Å²	68	26 Å²	26	30%	0.298	15%	0.147	S	C	.	.	G	3₁₀ helix	trans	-61.8	-24.8	178.7	-64.5	-77.5	0	0	0	113.2	L255 Y266 A629 N633	L255-F627 HydrophobicContact CD1-CB 4.44Å; L255-F627 HydrophobicContact CD1-CD1 3.83Å; L255-F627 HydrophobicContact CD1-CD2 3.47Å; L255-F627 VanDerWaalsContact CD1-CD2 3.47Å; L255-F627 HydrophobicContact CD1-CE1 3.8Å; L255-F627 HydrophobicContact CD1-CE2 3.45Å; L255-F627 VanDerWaalsContact CD1-CE2 3.45Å; L255-F627 HydrophobicContact CD1-CG 3.66Å; L255-F627 HydrophobicContact CD1-CZ 3.61Å; L255-F627 HydrophobicContact CD2-CD2 4.39Å; L255-F627 HydrophobicContact CD2-CE2 4.18Å; L255-F627 HydrophobicContact CG-CD2 4.49Å; L255-F627 HydrophobicContact CG-CE2 4.46Å; Y266-F627 HydrophobicContact CD1-CB 4.5Å; Y266-F627 WeakPolarHBondContact CD1-O 3.47Å; Y266-F627 WeakPolarHBondContact CE1-O 3.12Å; Y266-F627 HydrophobicContact CG-CB 4.33Å; F627-A629 VanDerWaalsContact C-N 3.29Å; F627-N633 WeakPolarHBondContact CD1-ND2 2.94Å
628	S	85.8	Confident	94	Very high	48 Å²	48	26 Å²	26	34%	0.336	15%	0.147	S	C	.	.	G	3₁₀ helix	trans	-82.6	0.9	174.7	61.3	0	0	0	0	113.9	N556 P626 T630	N556-S628 VanDerWaalsContact CB-O 3.28Å; N556-S628 WeakPolarHBondContact CB-O 3.39Å; P626-S628 PolarHBondContact O-N 3.48Å; P626-S628 VanDerWaalsContact O-N 3.16Å; S628-T630 VanDerWaalsContact C-N 3.28Å; S628-T630 PolarHBondContact O-N 3.4Å
629	A	91.1	Very high	93.9	Very high	13 Å²	13	24.9 Å²	24.9	11%	0.107	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-73.3	-22.6	-177.5	0	0	0	0	0	112.9	V533 E555 N556 V625 P626 F627	V533-A629 HydrophobicContact CB-CB 4.49Å; V533-A629 HydrophobicContact CG2-CB 3.84Å; E555-A629 CarbonylContact C-O 3.56Å; E555-A629 VanDerWaalsContact CA-O 3.29Å; E555-A629 WeakPolarHBondContact CA-O 3.04Å; N556-A629 PolarHBondContact N-O 3.41Å; V625-A629 HydrophobicContact CB-CB 4.18Å; V625-A629 HydrophobicContact CG2-CB 4.19Å; P626-A629 WeakPolarHBondContact O-CB 3.32Å; P626-A629 PolarHBondContact O-N 2.86Å; F627-A629 VanDerWaalsContact C-N 3.29Å
630	T	93.1	Very high	93.9	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.006	14%	0.143	C	C	.	.	S	Bend	trans	-158.8	150	179.6	164.8	0	0	0	0	110.1	V533 E555 L622 S628 V632	V533-T630 HydrophobicContact CB-CG2 4.33Å; V533-T630 HydrophobicContact CG1-CG2 4.29Å; V533-T630 HydrophobicContact CG2-CG2 4.08Å; E555-T630 WeakPolarHBondContact O-CA 3.02Å; L622-T630 HydrophobicContact CD1-CG2 3.22Å; L622-T630 HydrophobicContact CD2-CG2 4.42Å; L622-T630 HydrophobicContact CG-CG2 4.43Å; S628-T630 VanDerWaalsContact C-N 3.28Å; S628-T630 PolarHBondContact O-N 3.4Å; T630-V632 WeakPolarHBondContact CG2-O 3.46Å; T630-V632 PolarHBondContact O-N 3.49Å
631	P	92.1	Very high	93.9	Very high	47 Å²	47	26.3 Å²	26.3	31%	0.305	15%	0.15	S	C	.	.	S	Bend	trans	-61.7	-22.7	-179.5	24.5	-37.6	0	0	0	114.4	E555 V558	E555-P631 WeakPolarHBondContact O-CD 3.15Å; V558-P631 HydrophobicContact CG2-CB 4.13Å; V558-P631 HydrophobicContact CG2-CG 3.85Å
632	V	94.5	Very high	93.9	Very high	11 Å²	11	26.6 Å²	26.6	7%	0.067	15%	0.152	C	C	.	.			trans	-126.3	127.2	-178.3	-174	0	0	0	0	109.4	T520 V522 V540 L622 T630	T520-V632 HydrophobicContact CG2-CG1 3.9Å; V522-V632 HydrophobicContact CG2-CB 4.15Å; V522-V632 HydrophobicContact CG2-CG1 3.93Å; V522-V632 WeakPolarHBondContact CG2-O 3.08Å; V540-V632 HydrophobicContact CG1-CG2 3.43Å; V540-V632 VanDerWaalsContact CG1-CG2 3.43Å; L622-V632 WeakPolarHBondContact CD1-O 3.29Å; T630-V632 WeakPolarHBondContact CG2-O 3.46Å; T630-V632 PolarHBondContact O-N 3.49Å
633	N	94.3	Very high	93.9	Very high	19 Å²	19	28.6 Å²	28.6	10%	0.102	16%	0.162	C	C	.	.			trans	-126.2	7.9	-177.7	61.9	22.5	0	0	0	113.1	C267 G269 L622 F627	C267-N633 PolarHBondContact O-ND2 3.42Å; C267-N633 PolarHBondContact O-OD1 3.38Å; G269-N633 WeakPolarHBondContact CA-OD1 3.24Å; G269-N633 PolarHBondContact N-OD1 3.35Å; L622-N633 HydrophobicContact CD1-CB 4.44Å; F627-N633 WeakPolarHBondContact CD1-ND2 2.94Å
634	A	95.4	Very high	93.9	Very high	4 Å²	4	27.6 Å²	27.6	3%	0.033	16%	0.156	C	C	.	.	P	Polyproline II helix	trans	-79.3	145.5	178.4	0	0	0	0	0	112	G269 T520 G521 V522	G269-A634 WeakPolarHBondContact O-CA 2.97Å; T520-A634 HydrophobicContact CG2-CB 4.34Å; G521-A634 WeakPolarHBondContact CA-O 3.43Å; V522-A634 PolarHBondContact N-O 3.26Å
635	F	97.1	Very high	93.8	Very high	29 Å²	29	24 Å²	24	13%	0.127	14%	0.137	C	C	.	.	B	Isolated β-bridge	trans	-69.9	140.7	172.1	-64.4	-60.7	0	0	0	110.6	K270 G487 I490 G620	K270-F635 HydrophobicContact CB-CD2 4.3Å; K270-F635 HydrophobicContact CB-CE2 3.62Å; K270-F635 HydrophobicContact CB-CZ 4.13Å; K270-F635 HydrophobicContact CD-CE2 4.43Å; K270-F635 HydrophobicContact CD-CZ 4.08Å; K270-F635 HydrophobicContact CG-CD2 4.48Å; K270-F635 HydrophobicContact CG-CE2 3.74Å; K270-F635 HydrophobicContact CG-CZ 3.74Å; G487-F635 VanDerWaalsContact C-CB 3.44Å; G487-F635 WeakPolarHBondContact O-CB 3.39Å; G487-F635 WeakPolarHBondContact O-CD2 3.43Å; I490-F635 HydrophobicContact CG2-CD1 3.98Å; I490-F635 HydrophobicContact CG2-CE1 3.68Å; G620-F635 WeakPolarHBondContact O-CA 3.45Å
636	Y	97.4	Very high	93.6	Very high	1 Å²	1	26 Å²	26	0%	0.004	16%	0.161	C	C	.	.	P	Polyproline II helix	trans	-71.4	136.8	173.1	176.7	-101.4	0	0	0	110.7	Y485 G487 P516 V522 M523 G620 C639 M640	Y485-Y636 WeakPolarHBondContact CB-O 3.19Å; Y485-Y636 HydrophobicContact CD2-CD1 4.14Å; Y485-Y636 HydrophobicContact CD2-CE1 4.25Å; Y485-Y636 HydrophobicContact CG-CD1 4Å; G487-Y636 WeakPolarHBondContact CA-O 3.41Å; G487-Y636 PolarHBondContact N-O 3.38Å; P516-Y636 HydrophobicContact CB-CE2 4.06Å; V522-Y636 VanDerWaalsContact O-CB 3.28Å; V522-Y636 WeakPolarHBondContact O-CB 3.31Å; M523-Y636 HydrophobicContact CG-CD2 3.61Å; M523-Y636 HydrophobicContact CG-CE2 3.82Å; M523-Y636 HydrophobicContact CG-CG 4.25Å; M523-Y636 HydrophobicContact SD-CE2 4.15Å; G620-Y636 PolarHBondContact O-N 2.92Å; Y636-C639 PolarHBondContact OH-O 3.38Å; Y636-C639 VanDerWaalsContact OH-O 3.07Å; Y636-M640 HydrophobicContact CD1-CB 4.47Å; Y636-M640 HydrophobicContact CD1-CE 4.37Å; Y636-M640 HydrophobicContact CE1-CB 3.69Å; Y636-M640 HydrophobicContact CE1-SD 4.44Å
637	N	96.8	Very high	93.6	Very high	20 Å²	20	27.1 Å²	27.1	11%	0.107	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	118.3	172.9	-170.9	-42	0	0	0	110.2	Y485 P486 S517 M518	Y485-N637 CarbonylContact O-C 3.16Å; Y485-N637 VanDerWaalsContact O-CA 3.27Å; Y485-N637 WeakPolarHBondContact O-CA 3.36Å; P486-N637 PolarHBondContact O-ND2 3.41Å; S517-N637 WeakPolarHBondContact CB-OD1 3.42Å; S517-N637 PolarHBondContact N-O 3.1Å; M518-N637 HydrophobicContact CB-CB 3.92Å; M518-N637 HydrophobicContact CG-CB 3.63Å; M518-N637 PolarHBondContact N-O 3.18Å; M518-N637 HydrophobicContact SD-CB 3.41Å; M518-N637 WeakPolarHBondContact SD-CB 3.47Å; M518-N637 PolarHBondContact SD-ND2 3.11Å; M518-N637 VanDerWaalsContact SD-ND2 3.44Å
638	G	96.3	Very high	94	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	153.1	-177.8	-178.4	0	0	0	0	0	113.5	Y484 Y485 R515	Y484-G638 WeakPolarHBondContact CD2-O 3.28Å; Y485-G638 PolarHBondContact N-O 2.94Å; Y485-G638 PolarHBondContact O-N 2.85Å; R515-G638 WeakPolarHBondContact O-CA 3.47Å
639	C	96.8	Very high	94.5	Very high	2 Å²	2	28.8 Å²	28.8	1%	0.014	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	135	169.7	-45.7	0	0	0	0	109.6	S483 I514 R515 Y636 C666	S483-C639 CarbonylContact O-C 3.49Å; S483-C639 VanDerWaalsContact O-CA 3.24Å; S483-C639 WeakPolarHBondContact O-CA 3.5Å; I514-C639 CarbonylContact C-O 3.48Å; I514-C639 WeakPolarHBondContact CA-O 3.23Å; R515-C639 HydrophobicContact CB-CB 4.15Å; R515-C639 PolarHBondContact N-O 3.41Å; R515-C639 PolarHBondContact NH2-SG 3.46Å; R515-C639 PolarHBondContact O-N 3.17Å; Y636-C639 PolarHBondContact OH-O 3.38Å; Y636-C639 VanDerWaalsContact OH-O 3.07Å; C639-C666 WeakPolarHBondContact CA-SG 3.34Å; C639-C666 HydrophobicContact CB-CB 3.91Å; C639-C666 WeakPolarHBondContact CB-SG 3.21Å; C639-C666 WeakPolarHBondContact SG-CB 3.45Å; C639-C666 CovalentContact SG-SG 2Å; C639-C666 PolarHBondContact SG-SG 3.35Å
640	M	96.9	Very high	94.6	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	126.1	175	172.4	174.4	71.7	0	0	111	S483 Y485 L512 N513 I514 M523 L619 Y636 V642	S483-M640 WeakPolarHBondContact CB-O 3.46Å; S483-M640 PolarHBondContact O-N 3.42Å; Y485-M640 HydrophobicContact CD2-CB 3.99Å; Y485-M640 HydrophobicContact CD2-CE 4.1Å; Y485-M640 HydrophobicContact CE1-CE 4.02Å; Y485-M640 HydrophobicContact CE2-CB 3.78Å; Y485-M640 HydrophobicContact CE2-CE 3.58Å; Y485-M640 HydrophobicContact CE2-CG 4.39Å; L512-M640 HydrophobicContact CD2-SD 4.36Å; N513-M640 WeakPolarHBondContact O-CA 3.13Å; I514-M640 HydrophobicContact CG2-CB 4.11Å; I514-M640 HydrophobicContact CG2-CG 3.81Å; I514-M640 HydrophobicContact CG2-SD 4.2Å; M523-M640 HydrophobicContact CB-SD 3.83Å; M523-M640 HydrophobicContact CG-SD 4.21Å; M523-M640 WeakPolarHBondContact O-CE 3.1Å; L619-M640 HydrophobicContact CB-CE 4.23Å; Y636-M640 HydrophobicContact CD1-CB 4.47Å; Y636-M640 HydrophobicContact CD1-CE 4.37Å; Y636-M640 HydrophobicContact CE1-CB 3.69Å; Y636-M640 HydrophobicContact CE1-SD 4.44Å; M640-V642 HydrophobicContact CE-CG2 4.04Å; M640-V642 HydrophobicContact CG-CG2 3.69Å; M640-V642 HydrophobicContact SD-CG2 3.98Å
641	E	96.3	Very high	94.6	Very high	30 Å²	30	30.6 Å²	30.6	14%	0.14	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	138	168.1	-61	161.4	140.8	0	0	108.3	G482 L512 N513 R572	G482-E641 WeakPolarHBondContact CA-OE1 3.31Å; L512-E641 WeakPolarHBondContact CA-O 3.24Å; N513-E641 HydrophobicContact CB-CB 4.25Å; N513-E641 PolarHBondContact N-O 3.43Å; N513-E641 PolarHBondContact ND2-OE2 2.63Å; N513-E641 PolarHBondContact O-N 3.4Å; R572-E641 IonicContact CZ-OE2 2.57Å; R572-E641 IonicContact NH1-OE1 3.2Å; R572-E641 PolarHBondContact NH1-OE1 3.48Å; R572-E641 IonicContact NH1-OE2 2.68Å; R572-E641 PolarHBondContact NH1-OE2 2.91Å
642	V	96.7	Very high	94.5	Very high	6 Å²	6	28.7 Å²	28.7	4%	0.036	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	125.8	-172.1	-175.2	0	0	0	0	109.6	V510 L512 L524 L619 M640 I644 L649	V510-V642 HydrophobicContact CG1-CG1 4.18Å; L512-V642 HydrophobicContact CD2-CB 4.13Å; L512-V642 HydrophobicContact CD2-CG1 3.76Å; L512-V642 HydrophobicContact CD2-CG2 3.67Å; L524-V642 HydrophobicContact CD1-CG1 4.5Å; L619-V642 HydrophobicContact CD1-CB 4.07Å; L619-V642 HydrophobicContact CD1-CG1 4.34Å; L619-V642 HydrophobicContact CD1-CG2 3.77Å; L619-V642 HydrophobicContact CD2-CG1 4.22Å; L619-V642 HydrophobicContact CD2-CG2 4.15Å; M640-V642 HydrophobicContact CE-CG2 4.04Å; M640-V642 HydrophobicContact CG-CG2 3.69Å; M640-V642 HydrophobicContact SD-CG2 3.98Å; V642-I644 HydrophobicContact CG1-CD1 4.06Å; V642-I644 HydrophobicContact CG1-CG1 3.8Å; V642-L649 HydrophobicContact CB-CD1 4.44Å; V642-L649 HydrophobicContact CG1-CD1 4.07Å; V642-L649 PolarHBondContact O-N 3.41Å
643	N	95.9	Very high	94.3	Very high	47 Å²	47	33.9 Å²	33.9	25%	0.251	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	131	168.4	-176.2	-49.5	0	0	0	108.7	V510 T511 G646 V647	V510-N643 CarbonylContact C-O 3.59Å; V510-N643 VanDerWaalsContact CA-O 3.28Å; V510-N643 WeakPolarHBondContact CA-O 3.03Å; T511-N643 PolarHBondContact N-O 2.95Å; T511-N643 PolarHBondContact O-N 3.37Å; N643-G646 PolarHBondContact ND2-O 2.95Å; N643-G646 WeakPolarHBondContact OD1-CA 2.87Å; N643-G646 PolarHBondContact OD1-N 2.97Å; N643-V647 CarbonylContact C-O 3.54Å; N643-V647 WeakPolarHBondContact CA-O 3.07Å; N643-V647 PolarHBondContact OD1-N 3.32Å; N643-V647 VanDerWaalsContact OD1-N 3.13Å; N643-V647 PolarHBondContact OD1-O 2.98Å
644	I	94.4	Very high	94.3	Very high	4 Å²	4	33.1 Å²	33.1	2%	0.021	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	125.2	176.9	-56.2	-168.2	0	0	0	108.8	I495 Y497 N509 V510 L524 T617 V642 G646 V647 L649	I495-I644 HydrophobicContact CD1-CB 4.26Å; I495-I644 HydrophobicContact CD1-CD1 3.57Å; I495-I644 HydrophobicContact CD1-CG1 4.36Å; I495-I644 HydrophobicContact CD1-CG2 4.22Å; I495-I644 HydrophobicContact CG2-CG2 4.17Å; Y497-I644 HydrophobicContact CD1-CG2 4.47Å; Y497-I644 HydrophobicContact CE1-CG2 3.58Å; N509-I644 CarbonylContact O-C 3.05Å; N509-I644 WeakPolarHBondContact O-CA 3.42Å; V510-I644 HydrophobicContact CG1-CG1 4.36Å; V510-I644 HydrophobicContact CG2-CD1 4.33Å; V510-I644 HydrophobicContact CG2-CG1 4.11Å; V510-I644 HydrophobicContact CG2-CG2 4.49Å; L524-I644 HydrophobicContact CD1-CD1 3.86Å; T617-I644 HydrophobicContact CG2-CD1 4.09Å; V642-I644 HydrophobicContact CG1-CD1 4.06Å; V642-I644 HydrophobicContact CG1-CG1 3.8Å; I644-G646 PolarHBondContact O-N 2.87Å; I644-G646 VanDerWaalsContact O-N 3.16Å; I644-V647 PolarHBondContact N-O 3.48Å; I644-V647 PolarHBondContact O-N 3.37Å; I644-L649 HydrophobicContact CD1-CD1 3.71Å; I644-L649 HydrophobicContact CG1-CD1 3.98Å; I644-L649 HydrophobicContact CG1-CG 4.28Å
645	N	90.4	Very high	94.1	Very high	65 Å²	65	37.7 Å²	37.7	35%	0.348	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	33.7	179.4	-65.2	-15.2	0	0	0	113.6	H507 N509	H507-N645 PolarHBondContact O-ND2 2.92Å; N509-N645 PolarHBondContact N-OD1 2.68Å; N509-N645 PolarHBondContact O-N 2.93Å; N509-N645 PolarHBondContact O-OD1 2.87Å
646	G	88	Confident	93.8	Very high	60 Å²	60	39 Å²	39	62%	0.619	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	89	-5	-180	0	0	0	0	0	114.6	N643 I644	N643-G646 PolarHBondContact ND2-O 2.95Å; N643-G646 WeakPolarHBondContact OD1-CA 2.87Å; N643-G646 PolarHBondContact OD1-N 2.97Å; I644-G646 PolarHBondContact O-N 2.87Å; I644-G646 VanDerWaalsContact O-N 3.16Å
647	V	92	Very high	93.5	Very high	94 Å²	94	39.8 Å²	39.8	57%	0.57	23%	0.225	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-102.3	120.6	178.4	-176.5	0	0	0	0	109.8	N643 I644 L649	N643-V647 CarbonylContact C-O 3.54Å; N643-V647 WeakPolarHBondContact CA-O 3.07Å; N643-V647 PolarHBondContact OD1-N 3.32Å; N643-V647 VanDerWaalsContact OD1-N 3.13Å; N643-V647 PolarHBondContact OD1-O 2.98Å; I644-V647 PolarHBondContact N-O 3.48Å; I644-V647 PolarHBondContact O-N 3.37Å; V647-L649 PolarHBondContact O-N 3.09Å
648	E	93.4	Very high	93.3	Very high	122 Å²	122	42.4 Å²	42.4	57%	0.57	24%	0.236	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-69.2	125.8	169.8	-172	173.6	-174.2	0	0	109.2	D650	E648-D650 PolarHBondContact O-N 3.48Å
649	L	94.9	Very high	92.7	Very high	28 Å²	28	45.8 Å²	45.8	15%	0.147	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-80.6	122.1	-178.4	-59.3	-172.4	0	0	0	110.4	F493 I495 L619 V642 I644 V647	F493-L649 HydrophobicContact CD2-CD1 4.28Å; F493-L649 HydrophobicContact CE1-CB 4.27Å; F493-L649 HydrophobicContact CE2-CD1 4.38Å; F493-L649 HydrophobicContact CG-CD1 4.35Å; F493-L649 HydrophobicContact CZ-CB 4.16Å; I495-L649 HydrophobicContact CD1-CD1 3.98Å; I495-L649 HydrophobicContact CD1-CD2 3.99Å; L619-L649 HydrophobicContact CD1-CD1 4.01Å; V642-L649 HydrophobicContact CB-CD1 4.44Å; V642-L649 HydrophobicContact CG1-CD1 4.07Å; V642-L649 PolarHBondContact O-N 3.41Å; I644-L649 HydrophobicContact CD1-CD1 3.71Å; I644-L649 HydrophobicContact CG1-CD1 3.98Å; I644-L649 HydrophobicContact CG1-CG 4.28Å; V647-L649 PolarHBondContact O-N 3.09Å
650	D	93.3	Very high	92.3	Very high	51 Å²	51	49.6 Å²	49.6	27%	0.273	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-87.9	119.2	170.5	-170.8	-19.6	0	0	0	109.9	F493 E648 D652 E653 H664	F493-D650 WeakPolarHBondContact CE1-O 3.28Å; F493-D650 WeakPolarHBondContact CZ-O 3.39Å; E648-D650 PolarHBondContact O-N 3.48Å; D650-D652 PolarHBondContact O-N 3.13Å; D650-D652 WeakPolarHBondContact OD1-CB 3.43Å; D650-D652 PolarHBondContact OD1-N 3.32Å; D650-E653 HydrophobicContact CB-CB 4.41Å; D650-E653 HydrophobicContact CB-CG 4.17Å; D650-E653 PolarHBondContact O-N 3.38Å; D650-H664 IonicContact OD1-CE1 2.77Å; D650-H664 PolarHBondContact OD1-CE1 2.04Å; D650-H664 IonicContact OD1-NE2 2.85Å; D650-H664 PolarHBondContact OD1-NE2 3.25Å; D650-H664 IonicContact OD2-CE1 2.8Å; D650-H664 IonicContact OD2-NE2 3.15Å
651	L	93.4	Very high	92	Very high	2 Å²	2	49.6 Å²	49.6	1%	0.01	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-19.8	177.7	-74.4	-173.7	0	0	0	113.5	S483 Y485 A491 F493 E653 A654 K657 I661 A663	S483-L651 VanDerWaalsContact CB-CD1 3.5Å; Y485-L651 HydrophobicContact CE2-CD1 4.5Å; A491-L651 HydrophobicContact CB-CD2 3.72Å; F493-L651 HydrophobicContact CE2-CD2 3.82Å; F493-L651 HydrophobicContact CZ-CD2 3.87Å; L651-E653 VanDerWaalsContact C-N 3.3Å; L651-A654 VanDerWaalsContact O-CB 3.3Å; L651-A654 WeakPolarHBondContact O-CB 3.3Å; L651-A654 PolarHBondContact O-N 2.84Å; L651-K657 HydrophobicContact CB-CD 3.93Å; L651-I661 HydrophobicContact CD1-CG2 3.61Å; L651-A663 HydrophobicContact CB-CB 3.92Å
652	D	90.3	Very high	91.9	Very high	7 Å²	7	49.7 Å²	49.7	4%	0.037	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-10.4	173.2	-66.8	-36.3	0	0	0	113.2	N443 R445 D650 K657 A663 H664	N443-D652 PolarHBondContact ND2-O 3.33Å; R445-D652 HydrophobicContact CB-CB 3.93Å; R445-D652 WeakPolarHBondContact CD-O 3.37Å; R445-D652 PolarHBondContact NH1-O 3.33Å; D650-D652 PolarHBondContact O-N 3.13Å; D650-D652 WeakPolarHBondContact OD1-CB 3.43Å; D650-D652 PolarHBondContact OD1-N 3.32Å; D652-K657 IonicContact OD1-NZ 3.19Å; D652-K657 PolarHBondContact OD1-NZ 2.96Å; D652-A663 WeakPolarHBondContact OD1-CB 3.35Å; D652-A663 VanDerWaalsContact OD2-CB 3.29Å; D652-A663 WeakPolarHBondContact OD2-CB 3.36Å; D652-H664 IonicContact OD2-CE1 3.14Å; D652-H664 PolarHBondContact OD2-CE1 3.03Å; D652-H664 IonicContact OD2-ND1 3.43Å
653	E	91.2	Very high	91.7	Very high	119 Å²	119	49.4 Å²	49.4	56%	0.556	27%	0.272	S	S	*	.	S	Bend	trans	-99	2.4	169.5	-61.9	-59.8	142.8	0	0	112.6	N443 D650 L651	N443-E653 PolarHBondContact ND2-OE1 3.05Å; D650-E653 HydrophobicContact CB-CB 4.41Å; D650-E653 HydrophobicContact CB-CG 4.17Å; D650-E653 PolarHBondContact O-N 3.38Å; L651-E653 VanDerWaalsContact C-N 3.3Å
654	A	92.6	Very high	91.6	Very high	3 Å²	3	49 Å²	49	3%	0.025	27%	0.268	C	S	.	.			trans	-59.7	144.2	173.9	0	0	0	0	0	111.4	F306 R445 F493 L651 S656 K657	F306-A654 WeakPolarHBondContact CE1-O 3.38Å; R445-A654 PolarHBondContact NH1-O 3.43Å; F493-A654 HydrophobicContact CD1-CB 4.48Å; F493-A654 HydrophobicContact CD2-CB 4.49Å; F493-A654 HydrophobicContact CE1-CB 3.92Å; F493-A654 HydrophobicContact CE2-CB 3.93Å; F493-A654 HydrophobicContact CZ-CB 3.63Å; L651-A654 VanDerWaalsContact O-CB 3.3Å; L651-A654 WeakPolarHBondContact O-CB 3.3Å; L651-A654 PolarHBondContact O-N 2.84Å; A654-S656 VanDerWaalsContact C-N 3.29Å; A654-K657 HydrophobicContact CB-CB 4.25Å
655	I	92.3	Very high	91.6	Very high	100 Å²	100	49.2 Å²	49.2	51%	0.513	27%	0.27	S	S	.	.	S	Bend	trans	-63.9	-42.5	175	-63.5	174.7	0	0	0	109.5	F306 E492 H494	F306-I655 VanDerWaalsContact CE1-O 3.29Å; F306-I655 WeakPolarHBondContact CE1-O 3.34Å; E492-I655 PolarHBondContact O-N 3.23Å; H494-I655 HydrophobicContact CB-CD1 3.52Å
656	S	91.3	Very high	91.9	Very high	56 Å²	56	46.1 Å²	46.1	39%	0.392	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	142.6	175.4	-175.6	0	0	0	0	109.2	F306 A491 E492 A654	F306-S656 VanDerWaalsContact CE1-CA 3.48Å; F306-S656 VanDerWaalsContact CZ-C 3.46Å; A491-S656 CarbonylContact C-O 3.58Å; A491-S656 WeakPolarHBondContact CA-O 3.43Å; E492-S656 PolarHBondContact N-O 2.84Å; A654-S656 VanDerWaalsContact C-N 3.29Å
657	K	91.1	Very high	92.2	Very high	19 Å²	19	43.3 Å²	43.3	8%	0.083	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	133.4	175.9	171.2	-168	77.7	179.6	0	107.9	F306 I490 A491 L651 D652 A654 I661	F306-K657 WeakPolarHBondContact CD2-O 3.48Å; F306-K657 HydrophobicContact CE2-CB 3.48Å; F306-K657 VanDerWaalsContact CE2-CB 3.48Å; F306-K657 HydrophobicContact CE2-CG 4.48Å; F306-K657 WeakPolarHBondContact CE2-O 3.46Å; F306-K657 HydrophobicContact CZ-CB 3.42Å; F306-K657 VanDerWaalsContact CZ-CB 3.42Å; I490-K657 WeakPolarHBondContact O-CA 2.86Å; A491-K657 HydrophobicContact CB-CB 4.15Å; A491-K657 HydrophobicContact CB-CG 4.25Å; L651-K657 HydrophobicContact CB-CD 3.93Å; D652-K657 IonicContact OD1-NZ 3.19Å; D652-K657 PolarHBondContact OD1-NZ 2.96Å; A654-K657 HydrophobicContact CB-CB 4.25Å; K657-I661 HydrophobicContact CD-CB 4.16Å; K657-I661 HydrophobicContact CD-CG2 4.04Å; K657-I661 HydrophobicContact CG-CB 3.8Å; K657-I661 HydrophobicContact CG-CD1 4.19Å; K657-I661 HydrophobicContact CG-CG2 4.02Å
658	H	90.8	Very high	92.2	Very high	74 Å²	74	40.3 Å²	40.3	34%	0.343	21%	0.207	S	C	.	.			trans	-62.2	139.7	175.2	-166.8	-93.4	0	0	0	111	I490 D660 I661	I490-H658 PolarHBondContact O-N 3.26Å; H658-D660 IonicContact CE1-OD2 3.93Å; H658-D660 PolarHBondContact CE1-OD2 3.31Å; H658-D660 PolarHBondContact ND1-N 3.31Å; H658-D660 IonicContact ND1-OD2 2.78Å; H658-D660 PolarHBondContact O-N 3.38Å; H658-D660 VanDerWaalsContact O-N 3.14Å; H658-I661 HydrophobicContact CB-CD1 3.92Å; H658-I661 HydrophobicContact CB-CG1 4.13Å; H658-I661 WeakPolarHBondContact O-CB 3.4Å; H658-I661 PolarHBondContact O-N 2.98Å
659	N	84.6	Confident	92.1	Very high	72 Å²	72	35.8 Å²	35.8	39%	0.385	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-28.5	-172.6	-71.4	-29.3	0	0	0	113.8	E304 I661	E304-N659 HydrophobicContact CG-CB 4.38Å; N659-I661 VanDerWaalsContact C-N 3.28Å; N659-I661 PolarHBondContact O-N 3.35Å
660	D	88	Confident	91.5	Very high	81 Å²	81	39.7 Å²	39.7	43%	0.433	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-15.3	179.7	-55.7	-22.4	0	0	0	113.2	P486 S488 H658 R662	P486-D660 HydrophobicContact CG-CB 3.6Å; S488-D660 PolarHBondContact OG-OD2 2.7Å; H658-D660 IonicContact CE1-OD2 3.93Å; H658-D660 PolarHBondContact CE1-OD2 3.31Å; H658-D660 PolarHBondContact ND1-N 3.31Å; H658-D660 IonicContact ND1-OD2 2.78Å; H658-D660 PolarHBondContact O-N 3.38Å; H658-D660 VanDerWaalsContact O-N 3.14Å; D660-R662 PolarHBondContact O-N 3.28Å
661	I	92.1	Very high	90.6	Very high	2 Å²	2	45.9 Å²	45.9	1%	0.01	22%	0.224	C	C	.	.			trans	-75.8	124.2	178.1	-62.2	172.4	0	0	0	109	Y484 Y485 I490 A491 L651 K657 H658 N659	Y484-I661 WeakPolarHBondContact O-CA 3.07Å; Y485-I661 HydrophobicContact CD1-CD1 4.05Å; Y485-I661 HydrophobicContact CD1-CG1 4.3Å; Y485-I661 HydrophobicContact CD1-CG2 4.18Å; Y485-I661 HydrophobicContact CE1-CD1 4.28Å; Y485-I661 HydrophobicContact CE1-CG2 4.18Å; I490-I661 VanDerWaalsContact C-CD1 3.45Å; I490-I661 WeakPolarHBondContact O-CD1 3.09Å; A491-I661 HydrophobicContact CB-CD1 4.45Å; L651-I661 HydrophobicContact CD1-CG2 3.61Å; K657-I661 HydrophobicContact CD-CB 4.16Å; K657-I661 HydrophobicContact CD-CG2 4.04Å; K657-I661 HydrophobicContact CG-CB 3.8Å; K657-I661 HydrophobicContact CG-CD1 4.19Å; K657-I661 HydrophobicContact CG-CG2 4.02Å; H658-I661 HydrophobicContact CB-CD1 3.92Å; H658-I661 HydrophobicContact CB-CG1 4.13Å; H658-I661 WeakPolarHBondContact O-CB 3.4Å; H658-I661 PolarHBondContact O-N 2.98Å; N659-I661 VanDerWaalsContact C-N 3.28Å; N659-I661 PolarHBondContact O-N 3.35Å
662	R	92.5	Very high	88.8	Confident	32 Å²	32	54.7 Å²	54.7	12%	0.121	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-94.8	129.2	179.3	-52.7	-177.7	173.9	-108.8	-8.3	109.8	S483 Y484 D660 S665	S483-R662 WeakPolarHBondContact CA-O 3.21Å; Y484-R662 HydrophobicContact CD1-CG 4.34Å; Y484-R662 PolarHBondContact N-O 3.37Å; Y484-R662 PolarHBondContact O-N 3.23Å; D660-R662 PolarHBondContact O-N 3.28Å; R662-S665 WeakPolarHBondContact CB-O 3.22Å
663	A	93.2	Very high	86.8	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	29%	0.293	C	S	.	.	S	Bend	trans	-72	-44.3	-170.4	0	0	0	0	0	112.8	D447 S483 L651 D652	D447-A663 HydrophobicContact CB-CB 4.22Å; D447-A663 PolarHBondContact OD2-N 3.19Å; S483-A663 WeakPolarHBondContact CA-O 3.44Å; S483-A663 VanDerWaalsContact CB-O 3.25Å; S483-A663 WeakPolarHBondContact CB-O 3.16Å; S483-A663 PolarHBondContact OG-O 3.18Å; L651-A663 HydrophobicContact CB-CB 3.92Å; D652-A663 WeakPolarHBondContact OD1-CB 3.35Å; D652-A663 VanDerWaalsContact OD2-CB 3.29Å; D652-A663 WeakPolarHBondContact OD2-CB 3.36Å
664	H	94.6	Very high	84.3	Confident	39 Å²	39	63.9 Å²	63.9	18%	0.181	31%	0.31	C	S	.	.	S	Bend	trans	-136.3	1.4	-170	-57.6	95.8	0	0	0	113.9	Y332 D333 D447 G482 D650 D652	Y332-H664 WeakPolarHBondContact CB-O 3.47Å; D333-H664 WeakPolarHBondContact OD1-CB 3.32Å; D333-H664 IonicContact OD1-CE1 3.9Å; D333-H664 IonicContact OD1-CG 3.43Å; D333-H664 IonicContact OD1-ND1 2.87Å; D333-H664 PolarHBondContact OD1-ND1 3.39Å; D333-H664 IonicContact OD2-ND1 2.82Å; D447-H664 PolarHBondContact OD2-N 3.15Å; G482-H664 PolarHBondContact N-O 3.31Å; G482-H664 CarbonylContact O-C 3.59Å; D650-H664 IonicContact OD1-CE1 2.77Å; D650-H664 PolarHBondContact OD1-CE1 2.04Å; D650-H664 IonicContact OD1-NE2 2.85Å; D650-H664 PolarHBondContact OD1-NE2 3.25Å; D650-H664 IonicContact OD2-CE1 2.8Å; D650-H664 IonicContact OD2-NE2 3.15Å; D652-H664 IonicContact OD2-CE1 3.14Å; D652-H664 PolarHBondContact OD2-CE1 3.03Å; D652-H664 IonicContact OD2-ND1 3.43Å
665	S	94.3	Very high	81.8	Confident	8 Å²	8	70.4 Å²	70.4	6%	0.056	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	118.4	174.9	66.8	0	0	0	0	113	D447 G482 Y484 R662	D447-S665 PolarHBondContact OD1-OG 2.92Å; D447-S665 WeakPolarHBondContact OD2-CB 3.23Å; D447-S665 PolarHBondContact OD2-N 2.89Å; D447-S665 PolarHBondContact OD2-OG 3.17Å; G482-S665 CarbonylContact O-C 3.55Å; G482-S665 WeakPolarHBondContact O-CA 3.36Å; G482-S665 PolarHBondContact O-N 3.36Å; Y484-S665 WeakPolarHBondContact CB-O 3.45Å; R662-S665 WeakPolarHBondContact CB-O 3.22Å
666	C	94.9	Very high	79.1	Confident	0 Å²	0	74.7 Å²	74.7	0%	0	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	135.2	171.6	-156.8	0	0	0	0	112.2	V479 E480 G482 C639	V479-C666 CarbonylContact C-O 3.49Å; V479-C666 WeakPolarHBondContact CA-O 3.26Å; E480-C666 HydrophobicContact CG-CB 4.1Å; E480-C666 WeakPolarHBondContact CG-O 3.43Å; E480-C666 PolarHBondContact N-O 3.36Å; E480-C666 PolarHBondContact O-N 3.28Å; G482-C666 PolarHBondContact O-N 3.18Å; C639-C666 WeakPolarHBondContact CA-SG 3.34Å; C639-C666 HydrophobicContact CB-CB 3.91Å; C639-C666 WeakPolarHBondContact CB-SG 3.21Å; C639-C666 WeakPolarHBondContact SG-CB 3.45Å; C639-C666 CovalentContact SG-SG 2Å; C639-C666 PolarHBondContact SG-SG 3.35Å
667	P	94.6	Very high	78.5	Confident	0 Å²	0	75.7 Å²	75.7	0%	0	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.9	144.6	172.5	22	-35.5	0	0	0	112.2	L291 N292 L293 L476 Y484 R515	L291-P667 HydrophobicContact CB-CB 4.24Å; L291-P667 HydrophobicContact CB-CG 4.14Å; L291-P667 HydrophobicContact CD1-CG 3.86Å; L291-P667 HydrophobicContact CG-CG 4.39Å; N292-P667 VanDerWaalsContact O-CB 3.29Å; N292-P667 WeakPolarHBondContact O-CB 3.33Å; L293-P667 HydrophobicContact CD2-CB 3.9Å; L293-P667 HydrophobicContact CD2-CG 3.85Å; L476-P667 HydrophobicContact CD1-CB 3.87Å; L476-P667 HydrophobicContact CD1-CG 4.26Å; Y484-P667 HydrophobicContact CD1-CG 4.15Å; Y484-P667 HydrophobicContact CD2-CG 3.77Å; Y484-P667 HydrophobicContact CE1-CG 4.13Å; Y484-P667 HydrophobicContact CE2-CG 3.8Å; Y484-P667 HydrophobicContact CG-CG 3.97Å; R515-P667 PolarHBondContact NH2-O 3.2Å
668	S	92.2	Very high	77.8	Confident	31 Å²	31	78.6 Å²	78.6	22%	0.217	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-72.1	164.1	170.3	80.5	0	0	0	0	111.3	N292 T478	N292-S668 WeakPolarHBondContact CB-O 3.5Å; N292-S668 PolarHBondContact N-O 2.88Å; T478-S668 WeakPolarHBondContact CB-OG 3.41Å; T478-S668 PolarHBondContact O-N 3.29Å; T478-S668 PolarHBondContact OG1-OG 3.5Å
669	I	91.1	Very high	77.1	Confident	28 Å²	28	78.9 Å²	78.9	14%	0.144	40%	0.401	C	S	.	.	B	Isolated β-bridge	trans	-74.6	140.4	179.1	-57.6	171.6	0	0	0	109.8	L289 N570 K671	L289-I669 HydrophobicContact CD1-CG2 3.96Å; L289-I669 HydrophobicContact CD2-CD1 4.29Å; L289-I669 HydrophobicContact CD2-CG1 4.4Å; L289-I669 HydrophobicContact CG-CG2 4.45Å; N570-I669 VanDerWaalsContact CA-CD1 3.46Å; N570-I669 HydrophobicContact CB-CD1 3.7Å; N570-I669 WeakPolarHBondContact OD1-CD1 3.35Å; I669-K671 PolarHBondContact O-N 2.96Å
670	W	83.4	Confident	76.7	Confident	110 Å²	110	79.3 Å²	79.3	42%	0.417	40%	0.402	S	S	.	.			trans	-65.7	102.6	173.8	-171.2	-90.5	0	0	0	110.3	P290 N292 D294 K672	P290-W670 HydrophobicContact CB-CB 4.12Å; P290-W670 HydrophobicContact CG-CB 4.31Å; P290-W670 WeakPolarHBondContact O-CB 3.26Å; P290-W670 PolarHBondContact O-N 2.9Å; N292-W670 HydrophobicContact CB-CE3 3.93Å; D294-W670 WeakPolarHBondContact OD1-CZ3 3.2Å; D294-W670 WeakPolarHBondContact OD2-CZ3 3.42Å; W670-K672 PolarHBondContact O-N 3.11Å
671	K	75	Confident	75.9	Confident	180 Å²	180	79.2 Å²	79.2	78%	0.783	40%	0.4	S	S	*	.			trans	-78.7	113.3	166.9	-67.2	-178.7	-178.2	177	0	106.8	I669 T673	I669-K671 PolarHBondContact O-N 2.96Å; K671-T673 VanDerWaalsContact C-N 3.28Å; K671-T673 PolarHBondContact O-N 3Å
672	K	55.7	Low	74.9	Confident	187 Å²	187	84.3 Å²	84.3	81%	0.813	43%	0.426	S	S	*	.			trans	-56.3	102.5	159	-85.5	-175.9	177.8	177.8	0	106.2	W670 K674	W670-K672 PolarHBondContact O-N 3.11Å; K672-K674 PolarHBondContact O-N 3.42Å
673	T	46.8	Very low	73.6	Confident	110 Å²	110	88.1 Å²	88.1	68%	0.675	45%	0.448	S	S	*	.			trans	-53.5	111.8	160.6	12.8	0	0	0	0	105.1	K671 N675	K671-T673 VanDerWaalsContact C-N 3.28Å; K671-T673 PolarHBondContact O-N 3Å; T673-N675 PolarHBondContact O-N 3.42Å
674	K	40	Very low	72.1	Confident	210 Å²	210	94.8 Å²	94.8	91%	0.913	48%	0.483	S	S	*	.			trans	-61.5	86.4	159.5	-82.1	-176.8	173.6	-178.5	0	104.9	K672 S676	K672-K674 PolarHBondContact O-N 3.42Å; K674-S676 PolarHBondContact O-N 3.29Å
675	N	38.9	Very low	70.2	Confident	139 Å²	139	99.5 Å²	99.5	74%	0.743	51%	0.508	S	S	*	.			trans	-71.9	117.6	169.7	-88.9	0.8	0	0	0	107.2	T673	T673-N675 PolarHBondContact O-N 3.42Å
676	S	35.8	Very low	68	Low	191 Å²	191	107.8 Å²	107.8	100%	1.336	55%	0.549	S	S	*	.			trans	-3.6	0	153.2	-67.4	0	0	0	0	118.4	K674	K674-S676 PolarHBondContact O-N 3.29Å

Retrieved 676 of 676 residues in 121.5 ms (Link to these results)

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