A0A5K4F9S7_SCHMA Loading...

Pikachurin

AlphaFold DB , UniProt , Accession A0A5K4F9S7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 882 aa.

						>A0A5K4F9S7_SCHMA|A0A5K4F9S7
MFAIIVLYFGLLNPAQDLLAKENQGDNDWSMIMEVEVEDPTYNSSSDKTDGRNFIINGKKNQPFLQNNNETVTEHATSQYSISIPGATICGSFLCYNQGQCYTNLHSSSSKCLCPIGYSGDFCDKVDEGYQFPYIEQGGYLKFYFKSSALYSGINQSFIERSNQVSMNSTNTYKVDLEIRPSLTDGSYLLVSHESNKGDFKFSLSIENGYVVYRSLRISKTNYEPYRKEEIQEVKHFTFLNSEQWYYISFGETVDGKSFLSVDGIKEDAVYMKVIPWSDVIHYEKYLKNVNDMEFSYVSFGGHPELTKTGGSIHFVGYIFEQSYSGCIQNIRINEVPIDPRRKAFLGDAVDGYGITNCGFGLCEKKECKNNASCLQTSGSSVICQCPLGTSGQQCEQRVELIMPYYNGYSYTEYIGLSGTSSSFTTLELQFRPSKPNGLILYEGYSHDRRGDFLAIMLVHGYVVVAFDLGSGSAFLKNEKEIKLNEWHIVHFWRIGRDGYLQVDSDEHIMTNYSFGLQVQLTLTYSLYLGGHPNSNFISTHIKPFIGYATNLSIGFQGCISKIETNGVLIDPIKNAIGGVNILNCPGQECGFSNPVCLNNGKCLQDLKGFTCLCPLGFQGKNCKEKINWQGKQSAAFGENSFVKFTTNSLNYRPNSRHYHISLEFRLSNKSFGNGITSMKNYPSTNNASVKLFKQYLVYGVFQSVHKIQNILIQLLPTKRLKLGLEYVETEKYIVTSSNLTNQSLNNDELWKIGRNQFSQRMLIQMYDISEELELGHDWHKLLLTKSSKAITLFINQSQVAQIYFKENEVQPVQLFIGGIPETLHAQRRYLELMSNGYSSSHKENIFIKSKNFNGCIKKLEINGHPTSFGSVADGNDITQCT
					

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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	27.5	Very low	27.9	Very low	232 Å²	232	151.6 Å²	151.6	100%	1.143	80%	0.796	S	S	*	*				0	123	0	-97	-165.1	-143.4	0	0	107.7
2	F	29.6	Very low	28.3	Very low	171 Å²	171	153.9 Å²	153.9	75%	0.75	81%	0.808	S	S	*	*			trans	64.9	92.7	165.4	-74.8	-75.2	0	0	0	119.6	I4	F2-I4 HydrophobicContact CB-CD1 4.34Å; F2-I4 HydrophobicContact CB-CG1 4.09Å; F2-I4 HydrophobicContact CD1-CD1 3.53Å; F2-I4 HydrophobicContact CD1-CG1 3.53Å; F2-I4 HydrophobicContact CE1-CD1 4.13Å; F2-I4 HydrophobicContact CE1-CG1 4.4Å; F2-I4 HydrophobicContact CG-CD1 4.14Å; F2-I4 HydrophobicContact CG-CG1 4.21Å
3	A	25.2	Very low	28.2	Very low	104 Å²	104	153.5 Å²	153.5	86%	0.86	81%	0.807	S	S	*	*			trans	-64.6	120.6	132.7	0	0	0	0	0	109.7
4	I	32.4	Very low	28.3	Very low	126 Å²	126	150.1 Å²	150.1	65%	0.646	80%	0.798	S	S	*	*			trans	-153.3	124.4	159	-40.6	178.5	0	0	0	101.4	F2	F2-I4 HydrophobicContact CB-CD1 4.34Å; F2-I4 HydrophobicContact CB-CG1 4.09Å; F2-I4 HydrophobicContact CD1-CD1 3.53Å; F2-I4 HydrophobicContact CD1-CG1 3.53Å; F2-I4 HydrophobicContact CE1-CD1 4.13Å; F2-I4 HydrophobicContact CE1-CG1 4.4Å; F2-I4 HydrophobicContact CG-CD1 4.14Å; F2-I4 HydrophobicContact CG-CG1 4.21Å
5	I	32.6	Very low	28.4	Very low	160 Å²	160	147 Å²	147	82%	0.821	80%	0.802	S	S	*	*				-154.8	135.5	58.7	-74.8	163.1	0	0	0	109.3
6	V	26	Very low	28.3	Very low	114 Å²	114	148.8 Å²	148.8	69%	0.691	80%	0.804	S	S	*	*			trans	-90.7	139.6	177	157.5	0	0	0	0	108.6
7	L	24.9	Very low	28.2	Very low	121 Å²	121	148.3 Å²	148.3	63%	0.634	80%	0.8	S	S	*	*			trans	51.4	114	149.4	-59.9	163.8	0	0	0	119.4	F9	L7-F9 HydrophobicContact CB-CD2 4.13Å; L7-F9 HydrophobicContact CD1-CD2 3.96Å; L7-F9 HydrophobicContact CD1-CE2 3.73Å; L7-F9 HydrophobicContact CD2-CD2 3.8Å; L7-F9 HydrophobicContact CD2-CE2 3.75Å; L7-F9 HydrophobicContact CG-CD2 4.19Å; L7-F9 HydrophobicContact CG-CE2 4.27Å
8	Y	29.3	Very low	28.2	Very low	244 Å²	244	149.9 Å²	149.9	96%	0.957	81%	0.807	S	S	*	*			trans	-103.5	117.8	134	-106	-89.5	0	0	0	108.9
9	F	25	Very low	28	Very low	172 Å²	172	150.3 Å²	150.3	75%	0.754	81%	0.808	S	S	*	*			trans	-90.4	150.7	176.2	-112.6	-87.2	0	0	0	110.3	L7	L7-F9 HydrophobicContact CB-CD2 4.13Å; L7-F9 HydrophobicContact CD1-CD2 3.96Å; L7-F9 HydrophobicContact CD1-CE2 3.73Å; L7-F9 HydrophobicContact CD2-CD2 3.8Å; L7-F9 HydrophobicContact CD2-CE2 3.75Å; L7-F9 HydrophobicContact CG-CD2 4.19Å; L7-F9 HydrophobicContact CG-CE2 4.27Å
10	G	27	Very low	27.8	Very low	65 Å²	65	147.7 Å²	147.7	67%	0.67	81%	0.809	S	S	*	*			trans	100.7	134.8	153.2	0	0	0	0	0	114.4
11	L	27.2	Very low	27.8	Very low	159 Å²	159	149.9 Å²	149.9	83%	0.832	81%	0.81	S	S	*	*			cis	-163.8	132.4	9.6	-91	149.3	0	0	0	105
12	L	32.7	Very low	27.6	Very low	179 Å²	179	147.8 Å²	147.8	94%	0.937	80%	0.797	S	S	*	*			trans	-178.8	121.4	135.9	-92.7	161.2	0	0	0	107.3
13	N	27.4	Very low	27.5	Very low	148 Å²	148	146.8 Å²	146.8	79%	0.791	80%	0.8	S	S	*	*			trans	-62.5	154.9	-161.1	-82	-30	0	0	0	115.6
14	P	29.7	Very low	27.6	Very low	106 Å²	106	151.6 Å²	151.6	69%	0.688	81%	0.805	S	S	*	*			trans	-80.4	119.5	169.5	33.3	-28.5	0	0	0	109.6	Q16	P14-Q16 PolarHBondContact O-N 2.88Å; P14-Q16 VanDerWaalsContact O-N 3.1Å
15	A	29.5	Very low	27.5	Very low	104 Å²	104	148.8 Å²	148.8	86%	0.86	81%	0.807	S	S	*	*			trans	-81.2	74.1	159	0	0	0	0	0	108.3	D17	A15-D17 VanDerWaalsContact C-N 3.26Å; A15-D17 PolarHBondContact O-N 3.38Å
16	Q	26.6	Very low	27.4	Very low	176 Å²	176	149.1 Å²	149.1	82%	0.822	81%	0.81	S	S	*	*			trans	-79	85.1	151.9	-80.5	-172.2	-32.6	0	0	106.8	P14	P14-Q16 PolarHBondContact O-N 2.88Å; P14-Q16 VanDerWaalsContact O-N 3.1Å
17	D	27.3	Very low	27.6	Very low	140 Å²	140	150.7 Å²	150.7	75%	0.749	82%	0.815	S	S	*	*			trans	-161.9	84.8	157.5	-104.9	-19.6	0	0	0	108.3	A15	A15-D17 VanDerWaalsContact C-N 3.26Å; A15-D17 PolarHBondContact O-N 3.38Å
18	L	27.2	Very low	27.8	Very low	177 Å²	177	152.5 Å²	152.5	93%	0.927	83%	0.825	S	S	*	*			trans	-161.6	72.5	149	-100.7	144.5	0	0	0	106.7	A20	L18-A20 PolarHBondContact O-N 3.27Å
19	L	25	Very low	27.6	Very low	157 Å²	157	152.1 Å²	152.1	82%	0.822	82%	0.822	S	S	*	*			trans	-46.8	122.9	155.8	-86.2	158.7	0	0	0	108.5	K21	L19-K21 PolarHBondContact O-N 3.21Å
20	A	24.5	Very low	27.6	Very low	99 Å²	99	149 Å²	149	82%	0.818	82%	0.822	S	S	*	*			trans	-45.4	104.8	165.8	0	0	0	0	0	110	L18	L18-A20 PolarHBondContact O-N 3.27Å
21	K	26.2	Very low	27.4	Very low	193 Å²	193	153.6 Å²	153.6	84%	0.839	83%	0.828	S	S	*	*			trans	-97.6	103	151.3	-91	-176.8	174	177.7	0	106.3	L19 N23	L19-K21 PolarHBondContact O-N 3.21Å; K21-N23 PolarHBondContact O-N 2.9Å
22	E	23.3	Very low	27.4	Very low	188 Å²	188	153 Å²	153	88%	0.879	82%	0.824	S	S	*	*			trans	-44.1	108.6	155.8	-72.2	174	139.9	0	0	108.4
23	N	27.8	Very low	26.9	Very low	151 Å²	151	151.4 Å²	151.4	81%	0.807	81%	0.813	S	S	*	*			trans	-125.5	116	152.3	-91.7	-25.4	0	0	0	106.2	K21	K21-N23 PolarHBondContact O-N 2.9Å
24	Q	28.1	Very low	26.8	Very low	205 Å²	205	153.4 Å²	153.4	96%	0.958	82%	0.818	S	S	*	*			trans	-51.7	134.4	173.9	-70.3	166	-51.8	0	0	110.9
25	G	29.4	Very low	26.5	Very low	67 Å²	67	153.3 Å²	153.3	69%	0.691	82%	0.815	S	S	*	*	S	Bend	trans	122.7	112.2	161.6	0	0	0	0	0	114.1
26	D	32.1	Very low	26.3	Very low	167 Å²	167	157.7 Å²	157.7	89%	0.893	82%	0.818	S	S	*	*			trans	72.4	87	161.7	-61	-21.5	0	0	0	118.7	D28	D26-D28 PolarHBondContact O-N 2.85Å
27	N	29.6	Very low	26.4	Very low	147 Å²	147	154.9 Å²	154.9	79%	0.786	81%	0.812	S	S	*	*			trans	-71.9	91.7	156.3	-74.7	-35.3	0	0	0	109.8
28	D	28.4	Very low	26.3	Very low	158 Å²	158	157.1 Å²	157.1	85%	0.845	82%	0.818	S	S	*	*			trans	-127.7	95.4	156.9	-112.2	-12.1	0	0	0	108.2	D26	D26-D28 PolarHBondContact O-N 2.85Å
29	W	25.6	Very low	26.4	Very low	236 Å²	236	151.9 Å²	151.9	89%	0.894	79%	0.791	S	S	*	*			trans	-91.5	99.9	172.5	-63.9	79.9	0	0	0	107.6
30	S	24.9	Very low	26.7	Very low	107 Å²	107	150.6 Å²	150.6	75%	0.748	79%	0.792	S	S	*	*			trans	-90.5	115.6	166.6	52.2	0	0	0	0	109.5
31	M	23.1	Very low	26.9	Very low	162 Å²	162	149.9 Å²	149.9	80%	0.798	78%	0.778	S	S	*	*			trans	-84.8	112.3	168.1	-176.4	-177.8	-68.3	0	0	107.8	M33	M31-M33 PolarHBondContact O-N 3.09Å
32	I	26.9	Very low	26.9	Very low	145 Å²	145	149 Å²	149	74%	0.744	77%	0.77	S	S	*	*			trans	-84.2	103.6	170.1	-57.9	174.5	0	0	0	106.8
33	M	22.3	Very low	27	Very low	146 Å²	146	147.3 Å²	147.3	72%	0.719	77%	0.768	S	S	*	*			trans	-88.5	112.8	163.9	-96.7	-173.2	-72.8	0	0	108.3	M31 V35	M31-M33 PolarHBondContact O-N 3.09Å; M33-V35 HydrophobicContact CB-CG2 4.31Å; M33-V35 PolarHBondContact O-N 2.89Å
34	E	24.8	Very low	27.2	Very low	190 Å²	190	143 Å²	143	89%	0.888	75%	0.749	S	S	*	*			trans	-76.1	107.1	161	-74	179.3	164.3	0	0	107.7
35	V	24.5	Very low	27.3	Very low	105 Å²	105	139.7 Å²	139.7	64%	0.636	75%	0.749	S	S	*	*			trans	-102	110.6	170.8	-178	0	0	0	0	107.1	M33 V37	M33-V35 HydrophobicContact CB-CG2 4.31Å; M33-V35 PolarHBondContact O-N 2.89Å; V35-V37 HydrophobicContact CG1-CG2 3.81Å; V35-V37 PolarHBondContact O-N 2.97Å; V35-V37 VanDerWaalsContact O-N 3.13Å
36	E	25	Very low	27.4	Very low	195 Å²	195	140.9 Å²	140.9	91%	0.911	75%	0.747	S	S	*	*			trans	-69.3	103.9	162.7	-80.1	-176	153.7	0	0	108.1
37	V	28.9	Very low	27.1	Very low	117 Å²	117	138.9 Å²	138.9	71%	0.709	74%	0.736	S	S	*	*			trans	-91.6	104.4	167	-176.4	0	0	0	0	106.8	V35 D39	V35-V37 HydrophobicContact CG1-CG2 3.81Å; V35-V37 PolarHBondContact O-N 2.97Å; V35-V37 VanDerWaalsContact O-N 3.13Å; V37-D39 PolarHBondContact O-N 3.38Å
38	E	25.1	Very low	26.9	Very low	187 Å²	187	142.4 Å²	142.4	87%	0.874	74%	0.744	S	S	*	*			trans	-66.9	101	161.6	-75.2	-171.8	160.3	0	0	107.7	P40	E38-P40 VanDerWaalsContact O-CD 3.26Å; E38-P40 WeakPolarHBondContact O-CD 3.41Å
39	D	29.4	Very low	26.8	Very low	67 Å²	67	140.1 Å²	140.1	36%	0.358	74%	0.736	S	S	.	*			trans	-76.1	111.7	164.4	-171.4	-29.1	0	0	0	107.6	V37 T41 Y42	V37-D39 PolarHBondContact O-N 3.38Å; D39-T41 PolarHBondContact O-N 2.93Å; D39-T41 PolarHBondContact OD1-N 3.06Å; D39-T41 PolarHBondContact OD1-OG1 2.97Å; D39-Y42 PolarHBondContact O-N 3.07Å; D39-Y42 VanDerWaalsContact O-N 3.13Å
40	P	30.3	Very low	26.8	Very low	130 Å²	130	136 Å²	136	84%	0.844	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.1	0.4	-176.1	27.1	-33.6	0	0	0	113.7	E38	E38-P40 VanDerWaalsContact O-CD 3.26Å; E38-P40 WeakPolarHBondContact O-CD 3.41Å
41	T	30	Very low	26.7	Very low	84 Å²	84	134.5 Å²	134.5	52%	0.515	73%	0.733	S	S	.	*	T	Hydrogen-bonded Turn	trans	-101.1	-4.8	176	64.8	0	0	0	0	114.2	D39 N43 Y144	D39-T41 PolarHBondContact O-N 2.93Å; D39-T41 PolarHBondContact OD1-N 3.06Å; D39-T41 PolarHBondContact OD1-OG1 2.97Å; T41-N43 PolarHBondContact O-N 3.1Å; T41-Y144 HydrophobicContact CG2-CE2 4.06Å
42	Y	25.8	Very low	26.8	Very low	174 Å²	174	136 Å²	136	68%	0.682	73%	0.73	S	S	*	*			trans	-98.1	75.2	-174.7	-145.5	-99.9	0	0	0	113.3	D39 S44	D39-Y42 PolarHBondContact O-N 3.07Å; D39-Y42 VanDerWaalsContact O-N 3.13Å; Y42-S44 WeakPolarHBondContact CD1-OG 3.49Å; Y42-S44 WeakPolarHBondContact CE1-OG 3.47Å; Y42-S44 PolarHBondContact O-N 2.92Å; Y42-S44 VanDerWaalsContact O-N 3.17Å
43	N	25.7	Very low	26.7	Very low	153 Å²	153	136.2 Å²	136.2	82%	0.818	73%	0.733	S	S	*	*			trans	-77.3	90.2	165	-87.8	-26.8	0	0	0	109.8	T41	T41-N43 PolarHBondContact O-N 3.1Å
44	S	32.2	Very low	26.8	Very low	61 Å²	61	137.3 Å²	137.3	43%	0.427	73%	0.734	S	S	.	*			trans	-118.8	95.1	166.2	64.9	0	0	0	0	111.2	Y42	Y42-S44 WeakPolarHBondContact CD1-OG 3.49Å; Y42-S44 WeakPolarHBondContact CE1-OG 3.47Å; Y42-S44 PolarHBondContact O-N 2.92Å; Y42-S44 VanDerWaalsContact O-N 3.17Å
45	S	30	Very low	26.8	Very low	135 Å²	135	134.5 Å²	134.5	94%	0.944	72%	0.724	S	S	*	*	S	Bend	trans	-84.4	12.2	158.1	50.4	0	0	0	0	112.1
46	S	30.2	Very low	26.9	Very low	92 Å²	92	137.2 Å²	137.2	64%	0.643	73%	0.733	S	S	*	*	S	Bend	trans	-141.2	71.7	177.2	63.8	0	0	0	0	110.6
47	D	26.3	Very low	26.9	Very low	126 Å²	126	134.5 Å²	134.5	67%	0.674	73%	0.725	S	S	*	*			trans	174.5	66.9	141.9	-89.4	-23.2	0	0	0	109.2	T49	D47-T49 PolarHBondContact O-N 3.24Å
48	K	25.1	Very low	26.7	Very low	220 Å²	220	132.3 Å²	132.3	96%	0.957	73%	0.725	S	S	*	*			trans	-73.1	72.1	148.3	-79	-175	176	-179	0	107
49	T	26.5	Very low	26.7	Very low	111 Å²	111	132.9 Å²	132.9	68%	0.681	73%	0.725	S	S	*	*			trans	-86.9	123.4	163.2	43.7	0	0	0	0	107.5	D47	D47-T49 PolarHBondContact O-N 3.24Å
50	D	26	Very low	26.5	Very low	148 Å²	148	139.1 Å²	139.1	79%	0.791	75%	0.749	S	S	*	*			trans	-29.5	129.5	-174	-81.8	-46	0	0	0	115	R52	D50-R52 PolarHBondContact O-N 3.03Å
51	G	23.8	Very low	26.2	Very low	76 Å²	76	140.4 Å²	140.4	78%	0.784	75%	0.749	S	S	*	*			trans	-55.5	89.9	161.1	0	0	0	0	0	110.1	N53	G51-N53 VanDerWaalsContact C-N 3.34Å; G51-N53 PolarHBondContact O-N 3.17Å
52	R	25	Very low	26	Very low	194 Å²	194	145.4 Å²	145.4	73%	0.732	77%	0.766	S	S	*	*			trans	-74	95.3	164.9	-72.1	-171.9	-170.8	169.6	4.9	107	D50 F54	D50-R52 PolarHBondContact O-N 3.03Å; R52-F54 VanDerWaalsContact C-N 3.34Å; R52-F54 HydrophobicContact CB-CD2 4.21Å; R52-F54 HydrophobicContact CB-CE2 3.84Å; R52-F54 HydrophobicContact CB-CZ 4.28Å; R52-F54 WeakPolarHBondContact O-CD2 3.16Å; R52-F54 PolarHBondContact O-N 3.05Å
53	N	23.6	Very low	26.5	Very low	150 Å²	150	142.4 Å²	142.4	80%	0.802	77%	0.768	S	S	*	*			trans	-53.1	100.6	156.9	-75	-23.3	0	0	0	108	G51 I55	G51-N53 VanDerWaalsContact C-N 3.34Å; G51-N53 PolarHBondContact O-N 3.17Å; N53-I55 PolarHBondContact O-N 3.03Å; N53-I55 VanDerWaalsContact O-N 3.1Å
54	F	25	Very low	26.3	Very low	169 Å²	169	143.8 Å²	143.8	74%	0.741	77%	0.767	S	S	*	*			trans	-77.1	95.1	171.7	-77.2	-85.4	0	0	0	108.4	R52 I56	R52-F54 VanDerWaalsContact C-N 3.34Å; R52-F54 HydrophobicContact CB-CD2 4.21Å; R52-F54 HydrophobicContact CB-CE2 3.84Å; R52-F54 HydrophobicContact CB-CZ 4.28Å; R52-F54 WeakPolarHBondContact O-CD2 3.16Å; R52-F54 PolarHBondContact O-N 3.05Å; F54-I56 PolarHBondContact O-N 2.75Å
55	I	23.8	Very low	25.9	Very low	131 Å²	131	147.7 Å²	147.7	67%	0.672	78%	0.783	S	S	*	*			trans	-73.4	107.5	171.9	-60.6	174.2	0	0	0	108.1	N53 N57	N53-I55 PolarHBondContact O-N 3.03Å; N53-I55 VanDerWaalsContact O-N 3.1Å; I55-N57 PolarHBondContact O-N 3.06Å
56	I	27.4	Very low	25.7	Very low	161 Å²	161	148.9 Å²	148.9	83%	0.826	77%	0.773	S	S	*	*			trans	-73.3	93.3	167.6	-56.4	174.7	0	0	0	107.4	F54 G58	F54-I56 PolarHBondContact O-N 2.75Å; I56-G58 VanDerWaalsContact C-N 3.26Å; I56-G58 PolarHBondContact O-N 2.95Å
57	N	24.5	Very low	25.4	Very low	139 Å²	139	151 Å²	151	74%	0.743	78%	0.777	S	S	*	*			trans	-75	81	171.3	-85.4	-34.2	0	0	0	110.1	I55 K59	I55-N57 PolarHBondContact O-N 3.06Å; N57-K59 PolarHBondContact O-N 3.38Å; N57-K59 VanDerWaalsContact O-N 3.09Å
58	G	24.7	Very low	25.5	Very low	70 Å²	70	151.3 Å²	151.3	72%	0.722	78%	0.779	S	S	*	*			trans	-73.7	86.2	163.2	0	0	0	0	0	110.2	I56 K60	I56-G58 VanDerWaalsContact C-N 3.26Å; I56-G58 PolarHBondContact O-N 2.95Å; G58-K60 PolarHBondContact O-N 3.25Å
59	K	25.3	Very low	25.5	Very low	200 Å²	200	148.5 Å²	148.5	87%	0.87	77%	0.774	S	S	*	*			trans	-83	108.7	168.9	-88.3	-168.5	175.8	-178	0	110.6	N57	N57-K59 PolarHBondContact O-N 3.38Å; N57-K59 VanDerWaalsContact O-N 3.09Å
60	K	25.3	Very low	25.5	Very low	197 Å²	197	151.4 Å²	151.4	86%	0.857	78%	0.78	S	S	*	*			trans	-52.2	133.7	165	-80.7	176.3	171.6	175.5	0	111.5	G58	G58-K60 PolarHBondContact O-N 3.25Å
61	N	25.1	Very low	25.4	Very low	157 Å²	157	151.3 Å²	151.3	84%	0.84	79%	0.785	S	S	*	*			trans	19.9	103.6	145.3	-68.9	-15	0	0	0	117.3
62	Q	24.6	Very low	25.5	Very low	190 Å²	190	153.6 Å²	153.6	89%	0.888	78%	0.783	S	S	*	*			trans	-141.5	132.2	139.9	-91.6	-173.7	-20.7	0	0	110.3
63	P	36.6	Very low	25.4	Very low	111 Å²	111	150.2 Å²	150.2	72%	0.721	79%	0.785	S	S	*	*			trans	-90.7	177.5	177.8	38.4	-33.6	0	0	0	111.2
64	F	20.7	Very low	25.5	Very low	182 Å²	182	151.6 Å²	151.6	80%	0.798	79%	0.786	S	S	*	*			trans	85.6	105.7	164.3	-96.8	-105.3	0	0	0	117.8
65	L	25	Very low	25.6	Very low	143 Å²	143	152.8 Å²	152.8	75%	0.749	79%	0.794	S	S	*	*				165.7	140.5	94.2	-93.3	157.7	0	0	0	113.8
66	Q	25	Very low	25.8	Very low	160 Å²	160	150.9 Å²	150.9	75%	0.748	80%	0.798	S	S	*	*			trans	-37.6	141.7	166.4	-69	162.3	-35.3	0	0	115.7
67	N	24.7	Very low	25.8	Very low	136 Å²	136	149.9 Å²	149.9	73%	0.727	80%	0.799	S	S	*	*				176.3	143.9	102.7	-101.5	-19.4	0	0	0	114.6
68	N	26.8	Very low	26.1	Very low	133 Å²	133	147.1 Å²	147.1	71%	0.711	79%	0.791	S	S	*	*			trans	82.4	98.3	149.6	-60.9	-13.6	0	0	0	120.9	E70	N68-E70 PolarHBondContact O-N 3.28Å
69	N	25.6	Very low	26.5	Very low	160 Å²	160	152.4 Å²	152.4	86%	0.856	80%	0.797	S	S	*	*				34.6	76	127.6	-67.2	-4.5	0	0	0	118.5
70	E	27.2	Very low	26.9	Very low	172 Å²	172	152.4 Å²	152.4	80%	0.804	79%	0.793	S	S	*	*			trans	-139.2	121.6	142.9	-73.6	-168.8	164.2	0	0	108.8	N68 V72	N68-E70 PolarHBondContact O-N 3.28Å; E70-V72 HydrophobicContact CB-CG2 4.48Å; E70-V72 PolarHBondContact O-N 2.96Å
71	T	23	Very low	27.8	Very low	146 Å²	146	148.2 Å²	148.2	90%	0.896	79%	0.788	S	S	*	*			trans	-65.6	86.1	169.4	42.5	0	0	0	0	108.6	T73	T71-T73 PolarHBondContact O-N 3.23Å
72	V	26.3	Very low	28.9	Very low	124 Å²	124	147.6 Å²	147.6	75%	0.752	78%	0.783	S	S	*	*			trans	-80.7	102.3	169.9	-178.1	0	0	0	0	107.2	E70	E70-V72 HydrophobicContact CB-CG2 4.48Å; E70-V72 PolarHBondContact O-N 2.96Å
73	T	23.2	Very low	30.3	Very low	124 Å²	124	143.7 Å²	143.7	76%	0.761	78%	0.777	S	S	*	*			trans	-50.7	133.2	166.3	41.5	0	0	0	0	110.4	T71 H75	T71-T73 PolarHBondContact O-N 3.23Å; T73-H75 PolarHBondContact O-N 2.85Å
74	E	25.9	Very low	32.1	Very low	179 Å²	179	141.5 Å²	141.5	84%	0.836	76%	0.759	S	S	*	*	S	Bend	trans	-42.5	119.5	166.7	-66.5	175.3	148.4	0	0	110.5
75	H	26.5	Very low	34.9	Very low	193 Å²	193	138.5 Å²	138.5	89%	0.894	76%	0.758	S	S	*	*			trans	172	78.6	148.6	-86.5	-51.2	0	0	0	109.7	T73	T73-H75 PolarHBondContact O-N 2.85Å
76	A	28.2	Very low	37.5	Very low	92 Å²	92	133.5 Å²	133.5	76%	0.76	74%	0.741	S	S	*	*			trans	-172.1	80.9	151.4	0	0	0	0	0	109	S78	A76-S78 PolarHBondContact O-N 2.83Å
77	T	27	Very low	40.5	Very low	139 Å²	139	127.1 Å²	127.1	85%	0.853	72%	0.716	S	S	*	*			trans	-65	87.8	150.8	36.8	0	0	0	0	106.9	Q79	T77-Q79 PolarHBondContact O-N 3.46Å
78	S	31.2	Very low	43.6	Very low	82 Å²	82	122.7 Å²	122.7	57%	0.573	69%	0.693	S	S	*	*			trans	-62.5	92.8	163.9	57.9	0	0	0	0	107.1	A76 Y80	A76-S78 PolarHBondContact O-N 2.83Å; S78-Y80 WeakPolarHBondContact O-CD2 3.2Å; S78-Y80 PolarHBondContact O-N 2.05Å; S78-Y80 WeakPolarHBondContact OG-CE2 3.41Å
79	Q	32.6	Very low	46.6	Very low	181 Å²	181	122.6 Å²	122.6	85%	0.846	69%	0.691	S	S	*	*			trans	-64.5	91.6	164.6	-77.1	-179.9	-28.8	0	0	106.9	T77 S81	T77-Q79 PolarHBondContact O-N 3.46Å; Q79-S81 VanDerWaalsContact C-N 3.31Å; Q79-S81 PolarHBondContact O-N 2.83Å
80	Y	35	Very low	49.6	Very low	200 Å²	200	115 Å²	115	78%	0.784	65%	0.651	S	S	*	*			trans	-62.7	99.1	161.4	-76.2	-89.5	0	0	0	106.7	S78 I82	S78-Y80 WeakPolarHBondContact O-CD2 3.2Å; S78-Y80 PolarHBondContact O-N 2.05Å; S78-Y80 WeakPolarHBondContact OG-CE2 3.41Å; Y80-I82 PolarHBondContact O-N 3.18Å
81	S	43.5	Very low	52.4	Low	109 Å²	109	109.6 Å²	109.6	76%	0.762	64%	0.642	S	S	*	*			trans	-71	98	165.1	46.8	0	0	0	0	107.3	Q79 S83	Q79-S81 VanDerWaalsContact C-N 3.31Å; Q79-S81 PolarHBondContact O-N 2.83Å; S81-S83 PolarHBondContact O-N 3.13Å
82	I	48.1	Very low	55.4	Low	143 Å²	143	108.5 Å²	108.5	73%	0.733	64%	0.64	S	S	*	*			trans	-64.4	102.8	166.6	-65	170.5	0	0	0	106	Y80 I84	Y80-I82 PolarHBondContact O-N 3.18Å; I82-I84 HydrophobicContact CG2-CG1 4.1Å; I82-I84 PolarHBondContact O-N 3.08Å; I82-I84 VanDerWaalsContact O-N 3.17Å
83	S	55.2	Low	58.5	Low	109 Å²	109	105.4 Å²	105.4	76%	0.762	62%	0.616	S	S	*	*			trans	-70.7	103.8	167.9	166.7	0	0	0	0	107.5	S81 P85	S81-S83 PolarHBondContact O-N 3.13Å; S83-P85 WeakPolarHBondContact O-CD 3.44Å
84	I	74	Confident	61.8	Low	64 Å²	64	101.8 Å²	101.8	33%	0.328	59%	0.592	S	S	.	*			trans	-78.7	121.1	171.3	-58.5	176.2	0	0	0	106.8	I82 G86 A87 L94 Y96	I82-I84 HydrophobicContact CG2-CG1 4.1Å; I82-I84 PolarHBondContact O-N 3.08Å; I82-I84 VanDerWaalsContact O-N 3.17Å; I84-G86 PolarHBondContact O-N 3.01Å; I84-A87 HydrophobicContact CB-CB 3.78Å; I84-A87 HydrophobicContact CG2-CB 4.11Å; I84-A87 WeakPolarHBondContact O-CB 3.1Å; I84-A87 PolarHBondContact O-N 3.1Å; I84-L94 HydrophobicContact CD1-CD1 3.84Å; I84-Y96 HydrophobicContact CD1-CE1 3.94Å
85	P	78.6	Confident	65	Low	119 Å²	119	93.3 Å²	93.3	77%	0.773	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54	128.9	178.8	-26.8	35.2	0	0	0	111.6	S83 A87	S83-P85 WeakPolarHBondContact O-CD 3.44Å; P85-A87 VanDerWaalsContact C-N 3.26Å; P85-A87 PolarHBondContact O-N 3.31Å
86	G	80.3	Confident	68.3	Low	38 Å²	38	88.3 Å²	88.3	39%	0.392	53%	0.526	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.2	0	-177.4	0	0	0	0	0	115.4	I84 Q98	I84-G86 PolarHBondContact O-N 3.01Å; G86-Q98 VanDerWaalsContact O-CA 3.22Å; G86-Q98 WeakPolarHBondContact O-CA 3.42Å; G86-Q98 PolarHBondContact O-N 2.74Å
87	A	87.5	Confident	71.4	Confident	27 Å²	27	86.9 Å²	86.9	22%	0.223	51%	0.506	C	S	.	.			trans	-91.1	136.1	173.5	0	0	0	0	0	111.9	I84 P85 C95 Y96	I84-A87 HydrophobicContact CB-CB 3.78Å; I84-A87 HydrophobicContact CG2-CB 4.11Å; I84-A87 WeakPolarHBondContact O-CB 3.1Å; I84-A87 PolarHBondContact O-N 3.1Å; P85-A87 VanDerWaalsContact C-N 3.26Å; P85-A87 PolarHBondContact O-N 3.31Å; A87-C95 CarbonylContact C-O 3.59Å; A87-C95 WeakPolarHBondContact CA-O 3.43Å; A87-Y96 HydrophobicContact CB-CD1 4.34Å
88	T	90.4	Very high	74.4	Confident	43 Å²	43	86.2 Å²	86.2	26%	0.264	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	133.4	176.7	-52.8	0	0	0	0	110	C90 L94 C95 G99 C101	T88-C90 PolarHBondContact O-N 2.87Å; T88-L94 WeakPolarHBondContact O-CA 3.44Å; T88-C95 PolarHBondContact N-O 2.76Å; T88-C95 PolarHBondContact O-N 3.43Å; T88-G99 WeakPolarHBondContact CB-O 3.02Å; T88-G99 PolarHBondContact OG1-O 3.5Å; T88-C101 HydrophobicContact CG2-CB 4.42Å
89	I	89.2	Confident	77.4	Confident	130 Å²	130	82.3 Å²	82.3	67%	0.667	47%	0.466	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.1	128.4	174.4	-62.1	170	0	0	0	109.1	L94	I89-L94 HydrophobicContact CB-CD2 4.43Å; I89-L94 HydrophobicContact CG1-CD2 3.81Å
90	C	89.4	Confident	80.2	Confident	0 Å²	0	76.3 Å²	76.3	0%	0	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	97.7	177.5	-162.1	0	0	0	0	111.6	T88 S92 F93 C95 C101 S110	T88-C90 PolarHBondContact O-N 2.87Å; C90-S92 PolarHBondContact O-N 2.95Å; C90-F93 CarbonylContact C-O 3.5Å; C90-F93 HydrophobicContact CB-CD2 4.12Å; C90-F93 HydrophobicContact CB-CE2 3.82Å; C90-F93 HydrophobicContact CB-CZ 4.37Å; C90-F93 PolarHBondContact N-O 3.07Å; C90-F93 WeakPolarHBondContact O-CD1 3.48Å; C90-F93 WeakPolarHBondContact O-CG 3.22Å; C90-F93 PolarHBondContact O-N 2.71Å; C90-C95 WeakPolarHBondContact CB-SG 3.49Å; C90-C101 WeakPolarHBondContact CA-SG 3.47Å; C90-C101 HydrophobicContact CB-CB 3.44Å; C90-C101 VanDerWaalsContact CB-CB 3.44Å; C90-C101 WeakPolarHBondContact CB-SG 3Å; C90-C101 WeakPolarHBondContact SG-CA 3.47Å; C90-C101 WeakPolarHBondContact SG-CB 3.22Å; C90-C101 CovalentContact SG-SG 2.05Å; C90-C101 PolarHBondContact SG-SG 3.16Å; C90-S110 VanDerWaalsContact SG-CB 3.58Å
91	G	85.3	Confident	82.9	Confident	60 Å²	60	68.5 Å²	68.5	62%	0.619	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.4	-110.9	-173.1	0	0	0	0	0	111.4
92	S	86.1	Confident	84.9	Confident	123 Å²	123	64.4 Å²	64.4	86%	0.86	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.8	3.4	-179.6	56.8	0	0	0	0	114.8	C90	C90-S92 PolarHBondContact O-N 2.95Å
93	F	91	Very high	86.5	Confident	58 Å²	58	61.2 Å²	61.2	25%	0.254	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	176.7	-178.1	54.5	-91.9	0	0	0	111.8	C90 S110 F122	C90-F93 CarbonylContact C-O 3.5Å; C90-F93 HydrophobicContact CB-CD2 4.12Å; C90-F93 HydrophobicContact CB-CE2 3.82Å; C90-F93 HydrophobicContact CB-CZ 4.37Å; C90-F93 PolarHBondContact N-O 3.07Å; C90-F93 WeakPolarHBondContact O-CD1 3.48Å; C90-F93 WeakPolarHBondContact O-CG 3.22Å; C90-F93 PolarHBondContact O-N 2.71Å; F93-S110 WeakPolarHBondContact CZ-O 3.01Å; F93-F122 HydrophobicContact CB-CD1 4.24Å; F93-F122 HydrophobicContact CB-CE1 3.8Å; F93-F122 HydrophobicContact CD1-CE1 4.5Å; F93-F122 AromaticContact CD2-CD1 3.69Å; F93-F122 HydrophobicContact CD2-CD1 3.69Å; F93-F122 AromaticContact CD2-CE1 3.66Å; F93-F122 HydrophobicContact CD2-CE1 3.66Å; F93-F122 HydrophobicContact CE2-CD1 4.39Å; F93-F122 HydrophobicContact CE2-CE1 4.35Å; F93-F122 HydrophobicContact CG-CD1 4.19Å; F93-F122 AromaticContact CG-CE1 3.74Å; F93-F122 HydrophobicContact CG-CE1 3.74Å
94	L	91.9	Very high	87.1	Confident	49 Å²	49	58 Å²	58	26%	0.257	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	141	179.4	-63.6	177.6	0	0	0	110.4	I84 T88 I89	I84-L94 HydrophobicContact CD1-CD1 3.84Å; T88-L94 WeakPolarHBondContact O-CA 3.44Å; I89-L94 HydrophobicContact CB-CD2 4.43Å; I89-L94 HydrophobicContact CG1-CD2 3.81Å
95	C	94.6	Very high	86.7	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	114.1	165.5	-54.1	0	0	0	0	108.7	A87 T88 C90 C112	A87-C95 CarbonylContact C-O 3.59Å; A87-C95 WeakPolarHBondContact CA-O 3.43Å; T88-C95 PolarHBondContact N-O 2.76Å; T88-C95 PolarHBondContact O-N 3.43Å; C90-C95 WeakPolarHBondContact CB-SG 3.49Å; C95-C112 WeakPolarHBondContact CA-SG 3.01Å; C95-C112 HydrophobicContact CB-CB 3.75Å; C95-C112 WeakPolarHBondContact CB-SG 3.4Å; C95-C112 WeakPolarHBondContact SG-CA 3.29Å; C95-C112 WeakPolarHBondContact SG-CB 2.99Å; C95-C112 CovalentContact SG-SG 2.03Å; C95-C112 PolarHBondContact SG-SG 2.76Å
96	Y	94.7	Very high	86.2	Confident	88 Å²	88	61.6 Å²	61.6	35%	0.345	35%	0.349	S	S	.	.			trans	-79.6	173.3	-179.5	-62.1	-80	0	0	0	112	I84 A87 Q98 G99 F122 C123 D124	I84-Y96 HydrophobicContact CD1-CE1 3.94Å; A87-Y96 HydrophobicContact CB-CD1 4.34Å; Y96-Q98 VanDerWaalsContact C-N 3.29Å; Y96-Q98 PolarHBondContact O-N 3.36Å; Y96-Q98 VanDerWaalsContact O-N 3.16Å; Y96-G99 PolarHBondContact O-N 3.33Å; Y96-F122 HydrophobicContact CD2-CB 3.91Å; Y96-F122 WeakPolarHBondContact CD2-O 3.35Å; Y96-F122 HydrophobicContact CE2-CB 4.15Å; Y96-F122 PolarHBondContact N-O 3.47Å; Y96-C123 WeakPolarHBondContact O-CB 3.41Å; Y96-D124 HydrophobicContact CD2-CB 4.1Å
97	N	92.9	Very high	85.5	Confident	62 Å²	62	62 Å²	62	33%	0.332	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.1	39.8	170.5	-59.7	-46.6	0	0	0	114.8	G99 P115 Y118 C123	N97-G99 VanDerWaalsContact C-N 3.26Å; N97-G99 PolarHBondContact O-N 2.04Å; N97-P115 WeakPolarHBondContact O-CG 3.48Å; N97-Y118 HydrophobicContact CB-CD1 3.65Å; N97-Y118 HydrophobicContact CB-CD2 4.07Å; N97-Y118 HydrophobicContact CB-CE1 3.61Å; N97-Y118 HydrophobicContact CB-CE2 4.03Å; N97-Y118 HydrophobicContact CB-CG 3.87Å; N97-Y118 WeakPolarHBondContact ND2-CD1 3.45Å; N97-Y118 WeakPolarHBondContact ND2-CE1 3.45Å; N97-C123 PolarHBondContact ND2-O 3.19Å
98	Q	91.8	Very high	84.4	Confident	126 Å²	126	67 Å²	67	59%	0.589	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.3	18.3	-176.8	-49.8	175.1	-1.8	0	0	114.5	G86 Y96 Y353	G86-Q98 VanDerWaalsContact O-CA 3.22Å; G86-Q98 WeakPolarHBondContact O-CA 3.42Å; G86-Q98 PolarHBondContact O-N 2.74Å; Y96-Q98 VanDerWaalsContact C-N 3.29Å; Y96-Q98 PolarHBondContact O-N 3.36Å; Y96-Q98 VanDerWaalsContact O-N 3.16Å; Q98-Y353 PolarHBondContact O-OH 2.88Å
99	G	93.5	Very high	84	Confident	0 Å²	0	68.7 Å²	68.7	0%	0	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-52.7	138.6	171.4	0	0	0	0	0	112.3	T88 Y96 N97 L113	T88-G99 WeakPolarHBondContact CB-O 3.02Å; T88-G99 PolarHBondContact OG1-O 3.5Å; Y96-G99 PolarHBondContact O-N 3.33Å; N97-G99 VanDerWaalsContact C-N 3.26Å; N97-G99 PolarHBondContact O-N 2.04Å; G99-L113 WeakPolarHBondContact CA-O 3.42Å
100	Q	92.1	Very high	83.8	Confident	54 Å²	54	64.2 Å²	64.2	25%	0.252	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	140	179	-63.9	-64.3	-31.4	0	0	109.9	Y102 C112 L113 T307 Y353	Q100-Y102 PolarHBondContact O-N 2.83Å; Q100-C112 CarbonylContact O-C 3.55Å; Q100-C112 WeakPolarHBondContact O-CA 3.34Å; Q100-L113 HydrophobicContact CB-CB 4.49Å; Q100-L113 PolarHBondContact N-O 3.08Å; Q100-L113 PolarHBondContact O-N 3.48Å; Q100-T307 HydrophobicContact CB-CG2 4.4Å; Q100-T307 HydrophobicContact CG-CG2 4.37Å; Q100-Y353 HydrophobicContact CB-CD1 4.34Å; Q100-Y353 HydrophobicContact CB-CE1 4.34Å; Q100-Y353 HydrophobicContact CG-CD1 3.81Å; Q100-Y353 HydrophobicContact CG-CE1 3.46Å; Q100-Y353 VanDerWaalsContact CG-CE1 3.46Å
101	C	90.1	Very high	83.9	Confident	36 Å²	36	67.5 Å²	67.5	24%	0.243	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	116.7	172	-173.4	0	0	0	0	110.1	T88 C90	T88-C101 HydrophobicContact CG2-CB 4.42Å; C90-C101 WeakPolarHBondContact CA-SG 3.47Å; C90-C101 HydrophobicContact CB-CB 3.44Å; C90-C101 VanDerWaalsContact CB-CB 3.44Å; C90-C101 WeakPolarHBondContact CB-SG 3Å; C90-C101 WeakPolarHBondContact SG-CA 3.47Å; C90-C101 WeakPolarHBondContact SG-CB 3.22Å; C90-C101 CovalentContact SG-SG 2.05Å; C90-C101 PolarHBondContact SG-SG 3.16Å
102	Y	87	Confident	84.3	Confident	24 Å²	24	65 Å²	65	9%	0.094	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	122.4	173.6	-178.6	-98.8	0	0	0	110.3	Q100 N104 S110 K111 L113 Q137	Q100-Y102 PolarHBondContact O-N 2.83Å; Y102-N104 HydrophobicContact CE1-CB 4.32Å; Y102-S110 CarbonylContact O-C 3.55Å; Y102-S110 WeakPolarHBondContact O-CA 3Å; Y102-K111 HydrophobicContact CD1-CG 4.31Å; Y102-K111 PolarHBondContact N-O 3.01Å; Y102-K111 PolarHBondContact O-N 2.03Å; Y102-L113 HydrophobicContact CD2-CD1 3.88Å; Y102-L113 HydrophobicContact CG-CD1 3.88Å; Y102-L113 HydrophobicContact CG-CG 4.26Å; Y102-Q137 HydrophobicContact CE1-CB 4.46Å; Y102-Q137 HydrophobicContact CE1-CG 4.46Å; Y102-Q137 WeakPolarHBondContact OH-CG 3.49Å
103	T	80.1	Confident	84.7	Confident	75 Å²	75	59.2 Å²	59.2	46%	0.46	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	119.4	173.6	50.9	0	0	0	0	108.7	L105 S110	T103-L105 PolarHBondContact O-N 2.84Å; T103-S110 WeakPolarHBondContact CG2-OG 3.15Å
104	N	69.5	Low	84.8	Confident	41 Å²	41	57 Å²	57	22%	0.219	31%	0.311	C	S	.	.			trans	-68.6	126.6	175.3	-176.5	-25.6	0	0	0	109.5	Y102 H106 S107	Y102-N104 HydrophobicContact CE1-CB 4.32Å; N104-H106 PolarHBondContact O-N 2.81Å; N104-H106 PolarHBondContact OD1-N 3.46Å; N104-S107 PolarHBondContact O-N 2.93Å; N104-S107 VanDerWaalsContact O-N 3.08Å
105	L	65.5	Low	85	Confident	109 Å²	109	55.2 Å²	55.2	57%	0.571	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-25.3	177.8	-75.1	155.2	0	0	0	113.4	T103	T103-L105 PolarHBondContact O-N 2.84Å
106	H	66.3	Low	84.8	Confident	150 Å²	150	56.1 Å²	56.1	69%	0.694	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.8	2.5	-177.4	-57.3	-61.3	0	0	0	114.6	N104	N104-H106 PolarHBondContact O-N 2.81Å; N104-H106 PolarHBondContact OD1-N 3.46Å
107	S	65.6	Low	84.5	Confident	46 Å²	46	52.8 Å²	52.8	32%	0.322	30%	0.3	S	S	.	.			trans	-140.3	145.8	178.3	95.4	0	0	0	0	111.8	N104 S109	N104-S107 PolarHBondContact O-N 2.93Å; N104-S107 VanDerWaalsContact O-N 3.08Å; S107-S109 PolarHBondContact O-N 3.37Å; S107-S109 VanDerWaalsContact O-N 3.13Å; S107-S109 PolarHBondContact OG-N 3.05Å; S107-S109 PolarHBondContact OG-OG 2.91Å
108	S	65.8	Low	84.5	Confident	132 Å²	132	53.8 Å²	53.8	92%	0.923	30%	0.3	S	S	*	.	S	Bend	trans	-72.4	2.8	172.2	53.9	0	0	0	0	114.3
109	S	80.8	Confident	84.6	Confident	79 Å²	79	48.9 Å²	48.9	55%	0.552	28%	0.279	S	S	*	.			trans	-82.6	127	178	71.9	0	0	0	0	111.3	S107	S107-S109 PolarHBondContact O-N 3.37Å; S107-S109 VanDerWaalsContact O-N 3.13Å; S107-S109 PolarHBondContact OG-N 3.05Å; S107-S109 PolarHBondContact OG-OG 2.91Å
110	S	86.2	Confident	84.5	Confident	37 Å²	37	50.2 Å²	50.2	26%	0.259	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	147.4	169.4	-41.1	0	0	0	0	109.1	C90 F93 Y102 T103	C90-S110 VanDerWaalsContact SG-CB 3.58Å; F93-S110 WeakPolarHBondContact CZ-O 3.01Å; Y102-S110 CarbonylContact O-C 3.55Å; Y102-S110 WeakPolarHBondContact O-CA 3Å; T103-S110 WeakPolarHBondContact CG2-OG 3.15Å
111	K	91	Very high	84.5	Confident	68 Å²	68	54 Å²	54	30%	0.296	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	158.9	172.9	68.2	172.5	-172.2	167.1	0	111.2	Y102 E136	Y102-K111 HydrophobicContact CD1-CG 4.31Å; Y102-K111 PolarHBondContact N-O 3.01Å; Y102-K111 PolarHBondContact O-N 2.03Å; K111-E136 IonicContact NZ-OE1 2.68Å; K111-E136 PolarHBondContact NZ-OE1 3.03Å
112	C	93.4	Very high	84.8	Confident	8 Å²	8	56.2 Å²	56.2	5%	0.054	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	129.9	170.9	-61.7	0	0	0	0	110.6	C95 Q100 D121 C123	C95-C112 WeakPolarHBondContact CA-SG 3.01Å; C95-C112 HydrophobicContact CB-CB 3.75Å; C95-C112 WeakPolarHBondContact CB-SG 3.4Å; C95-C112 WeakPolarHBondContact SG-CA 3.29Å; C95-C112 WeakPolarHBondContact SG-CB 2.99Å; C95-C112 CovalentContact SG-SG 2.03Å; C95-C112 PolarHBondContact SG-SG 2.76Å; Q100-C112 CarbonylContact O-C 3.55Å; Q100-C112 WeakPolarHBondContact O-CA 3.34Å; C112-D121 WeakPolarHBondContact CB-O 3.34Å; C112-D121 PolarHBondContact SG-O 3.35Å; C112-C123 VanDerWaalsContact CB-SG 3.58Å
113	L	94	Very high	85.2	Confident	1 Å²	1	55.1 Å²	55.1	1%	0.005	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	116.8	160.7	-65.6	177	0	0	0	107.8	G99 Q100 Y102 E136 G138 T307 Y353	G99-L113 WeakPolarHBondContact CA-O 3.42Å; Q100-L113 HydrophobicContact CB-CB 4.49Å; Q100-L113 PolarHBondContact N-O 3.08Å; Q100-L113 PolarHBondContact O-N 3.48Å; Y102-L113 HydrophobicContact CD2-CD1 3.88Å; Y102-L113 HydrophobicContact CG-CD1 3.88Å; Y102-L113 HydrophobicContact CG-CG 4.26Å; L113-E136 HydrophobicContact CD2-CB 4.19Å; L113-G138 WeakPolarHBondContact CD1-O 3.46Å; L113-T307 HydrophobicContact CD1-CG2 3.91Å; L113-Y353 WeakPolarHBondContact O-CD1 3.47Å
114	C	94.9	Very high	85.8	Confident	11 Å²	11	55.6 Å²	55.6	7%	0.074	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-84.6	136.7	-176.6	-55.1	0	0	0	0	111.4	Y118 G120 C123 Y353 G354	C114-Y118 WeakPolarHBondContact CB-O 3.42Å; C114-G120 PolarHBondContact SG-O 3.42Å; C114-G120 VanDerWaalsContact SG-O 3.32Å; C114-C123 WeakPolarHBondContact CA-SG 3.27Å; C114-C123 HydrophobicContact CB-CB 3.68Å; C114-C123 WeakPolarHBondContact CB-SG 3.41Å; C114-C123 PolarHBondContact N-SG 2.85Å; C114-C123 WeakPolarHBondContact SG-CA 3.13Å; C114-C123 WeakPolarHBondContact SG-CB 3.42Å; C114-C123 CovalentContact SG-SG 2.04Å; C114-C123 PolarHBondContact SG-SG 2.85Å; C114-Y353 CarbonylContact O-C 3.59Å; C114-Y353 VanDerWaalsContact O-CA 3.24Å; C114-Y353 WeakPolarHBondContact O-CA 3.35Å; C114-G354 PolarHBondContact O-N 3.39Å
115	P	94.3	Very high	86.9	Confident	12 Å²	12	59.5 Å²	59.5	8%	0.078	33%	0.332	C	S	.	.	B	Isolated β-bridge	trans	-63.4	150.7	169.8	23.5	-27.3	0	0	0	109.8	N97 G117 Y118 G352 Y353	N97-P115 WeakPolarHBondContact O-CG 3.48Å; P115-G117 PolarHBondContact O-N 2.71Å; P115-Y118 HydrophobicContact CG-CD2 3.94Å; P115-Y118 PolarHBondContact O-N 3.22Å; P115-G352 CarbonylContact C-O 3.6Å; P115-G352 VanDerWaalsContact CA-O 3.3Å; P115-G352 WeakPolarHBondContact CA-O 3.39Å; P115-Y353 HydrophobicContact CB-CD1 4.15Å; P115-Y353 HydrophobicContact CB-CE1 3.67Å; P115-Y353 HydrophobicContact CB-CE2 4.42Å; P115-Y353 HydrophobicContact CG-CE1 4.08Å
116	I	90.4	Very high	88.1	Confident	20 Å²	20	60.4 Å²	60.4	10%	0.103	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	134.5	176.5	-169.8	165.3	0	0	0	111.1	L141 P340 R342 A349 G352	I116-L141 HydrophobicContact CD1-CD2 3.83Å; I116-P340 WeakPolarHBondContact CD1-O 3.41Å; I116-R342 HydrophobicContact CD1-CB 3.67Å; I116-R342 HydrophobicContact CG1-CB 4Å; I116-R342 HydrophobicContact CG2-CB 3.86Å; I116-R342 HydrophobicContact CG2-CG 4.32Å; I116-A349 HydrophobicContact CD1-CB 4.04Å; I116-G352 PolarHBondContact N-O 3.34Å
117	G	89.1	Confident	89	Confident	18 Å²	18	54.7 Å²	54.7	19%	0.186	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	96.3	-5.9	-171.9	0	0	0	0	0	114.2	P115 D127	P115-G117 PolarHBondContact O-N 2.71Å; G117-D127 CarbonylContact C-O 3.59Å; G117-D127 WeakPolarHBondContact CA-O 3.4Å; G117-D127 PolarHBondContact O-N 3.17Å
118	Y	93.1	Very high	89.6	Confident	82 Å²	82	59.2 Å²	59.2	32%	0.322	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	151.6	174	-61.5	-86.5	0	0	0	112	N97 C114 P115 K125 V126	N97-Y118 HydrophobicContact CB-CD1 3.65Å; N97-Y118 HydrophobicContact CB-CD2 4.07Å; N97-Y118 HydrophobicContact CB-CE1 3.61Å; N97-Y118 HydrophobicContact CB-CE2 4.03Å; N97-Y118 HydrophobicContact CB-CG 3.87Å; N97-Y118 WeakPolarHBondContact ND2-CD1 3.45Å; N97-Y118 WeakPolarHBondContact ND2-CE1 3.45Å; C114-Y118 WeakPolarHBondContact CB-O 3.42Å; P115-Y118 HydrophobicContact CG-CD2 3.94Å; P115-Y118 PolarHBondContact O-N 3.22Å; Y118-K125 CarbonylContact C-O 3.48Å; Y118-K125 WeakPolarHBondContact CA-O 3.17Å; Y118-V126 HydrophobicContact CE1-CG2 4.34Å
119	S	93	Very high	90.6	Very high	23 Å²	23	53.7 Å²	53.7	16%	0.161	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	179.6	-180	68.1	0	0	0	0	112	C123 D124 K125	S119-C123 CarbonylContact O-C 3.6Å; S119-C123 WeakPolarHBondContact O-CA 3.42Å; S119-D124 PolarHBondContact O-N 3.1Å; S119-K125 PolarHBondContact N-O 2.75Å; S119-K125 WeakPolarHBondContact O-CB 3.31Å; S119-K125 PolarHBondContact O-N 3.19Å; S119-K125 VanDerWaalsContact O-N 3.1Å
120	G	92.5	Very high	91	Very high	29 Å²	29	52.2 Å²	52.2	30%	0.299	28%	0.279	S	S	.	.	S	Bend	trans	93.4	161.8	-176.2	0	0	0	0	0	112.9	C114 F122 C123	C114-G120 PolarHBondContact SG-O 3.42Å; C114-G120 VanDerWaalsContact SG-O 3.32Å; G120-F122 PolarHBondContact O-N 2.92Å; G120-C123 PolarHBondContact O-N 2.86Å; G120-C123 VanDerWaalsContact O-N 3.08Å
121	D	92.7	Very high	91	Very high	134 Å²	134	52 Å²	52	72%	0.717	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-22.3	-175.5	-59.3	-35.9	0	0	0	113.2	C112	C112-D121 WeakPolarHBondContact CB-O 3.34Å; C112-D121 PolarHBondContact SG-O 3.35Å
122	F	95.1	Very high	91.1	Very high	82 Å²	82	49.1 Å²	49.1	36%	0.36	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.6	8.7	-179.8	-50.2	-66.6	0	0	0	113.5	F93 Y96 G120 D124	F93-F122 HydrophobicContact CB-CD1 4.24Å; F93-F122 HydrophobicContact CB-CE1 3.8Å; F93-F122 HydrophobicContact CD1-CE1 4.5Å; F93-F122 AromaticContact CD2-CD1 3.69Å; F93-F122 HydrophobicContact CD2-CD1 3.69Å; F93-F122 AromaticContact CD2-CE1 3.66Å; F93-F122 HydrophobicContact CD2-CE1 3.66Å; F93-F122 HydrophobicContact CE2-CD1 4.39Å; F93-F122 HydrophobicContact CE2-CE1 4.35Å; F93-F122 HydrophobicContact CG-CD1 4.19Å; F93-F122 AromaticContact CG-CE1 3.74Å; F93-F122 HydrophobicContact CG-CE1 3.74Å; Y96-F122 HydrophobicContact CD2-CB 3.91Å; Y96-F122 WeakPolarHBondContact CD2-O 3.35Å; Y96-F122 HydrophobicContact CE2-CB 4.15Å; Y96-F122 PolarHBondContact N-O 3.47Å; G120-F122 PolarHBondContact O-N 2.92Å; F122-D124 PolarHBondContact O-N 3.32Å
123	C	94.9	Very high	91.2	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.259	C	S	.	.	S	Bend	trans	59.5	31	-177.3	-46.5	0	0	0	0	114.5	Y96 N97 C112 C114 S119 G120	Y96-C123 WeakPolarHBondContact O-CB 3.41Å; N97-C123 PolarHBondContact ND2-O 3.19Å; C112-C123 VanDerWaalsContact CB-SG 3.58Å; C114-C123 WeakPolarHBondContact CA-SG 3.27Å; C114-C123 HydrophobicContact CB-CB 3.68Å; C114-C123 WeakPolarHBondContact CB-SG 3.41Å; C114-C123 PolarHBondContact N-SG 2.85Å; C114-C123 WeakPolarHBondContact SG-CA 3.13Å; C114-C123 WeakPolarHBondContact SG-CB 3.42Å; C114-C123 CovalentContact SG-SG 2.04Å; C114-C123 PolarHBondContact SG-SG 2.85Å; S119-C123 CarbonylContact O-C 3.6Å; S119-C123 WeakPolarHBondContact O-CA 3.42Å; G120-C123 PolarHBondContact O-N 2.86Å; G120-C123 VanDerWaalsContact O-N 3.08Å
124	D	93.8	Very high	91.3	Very high	86 Å²	86	51.1 Å²	51.1	46%	0.46	27%	0.268	S	S	.	.			trans	-92.8	-10	-175.1	61.3	-40.1	0	0	0	113.6	Y96 S119 F122	Y96-D124 HydrophobicContact CD2-CB 4.1Å; S119-D124 PolarHBondContact O-N 3.1Å; F122-D124 PolarHBondContact O-N 3.32Å
125	K	93.1	Very high	91.4	Very high	123 Å²	123	50.6 Å²	50.6	54%	0.535	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	140.5	-179.9	-59.4	176.1	-175.6	174	0	110.7	Y118 S119	Y118-K125 CarbonylContact C-O 3.48Å; Y118-K125 WeakPolarHBondContact CA-O 3.17Å; S119-K125 PolarHBondContact N-O 2.75Å; S119-K125 WeakPolarHBondContact O-CB 3.31Å; S119-K125 PolarHBondContact O-N 3.19Å; S119-K125 VanDerWaalsContact O-N 3.1Å
126	V	89.1	Confident	91.4	Very high	128 Å²	128	52 Å²	52	78%	0.776	27%	0.27	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.1	132.2	170	-178.7	0	0	0	0	108.9	Y118	Y118-V126 HydrophobicContact CE1-CG2 4.34Å
127	D	85.8	Confident	91.4	Very high	30 Å²	30	52.4 Å²	52.4	16%	0.16	27%	0.271	C	S	.	.			trans	-121.6	139.7	-179.9	-171.4	-98.9	0	0	0	110.7	G117 G129 Y130	G117-D127 CarbonylContact C-O 3.59Å; G117-D127 WeakPolarHBondContact CA-O 3.4Å; G117-D127 PolarHBondContact O-N 3.17Å; D127-G129 PolarHBondContact O-N 3.05Å; D127-G129 WeakPolarHBondContact OD1-CA 3.39Å; D127-G129 PolarHBondContact OD1-N 3.13Å; D127-Y130 VanDerWaalsContact CG-CZ 3.41Å; D127-Y130 WeakPolarHBondContact OD1-CE2 3.46Å; D127-Y130 VanDerWaalsContact OD1-CZ 3.32Å; D127-Y130 WeakPolarHBondContact OD2-CE1 3.45Å; D127-Y130 PolarHBondContact OD2-OH 3.19Å
128	E	79.4	Confident	91.4	Very high	141 Å²	141	51.6 Å²	51.6	66%	0.659	26%	0.263	S	S	*	.			trans	-78.4	-2.7	179.9	-62.1	-152.2	118.4	0	0	114	K343	E128-K343 IonicContact OE1-NZ 3.65Å; E128-K343 PolarHBondContact OE1-NZ 3.37Å; E128-K343 VanDerWaalsContact OE1-NZ 3.1Å
129	G	85.2	Confident	91.5	Very high	16 Å²	16	47.7 Å²	47.7	17%	0.165	25%	0.248	C	C	.	.			trans	84	151.1	-171.9	0	0	0	0	0	112.4	D127 R341	D127-G129 PolarHBondContact O-N 3.05Å; D127-G129 WeakPolarHBondContact OD1-CA 3.39Å; D127-G129 PolarHBondContact OD1-N 3.13Å; G129-R341 WeakPolarHBondContact O-CD 3.29Å
130	Y	89.9	Confident	91.6	Very high	48 Å²	48	46.7 Å²	46.7	19%	0.188	24%	0.241	C	C	.	.			trans	-103.4	128	-177.3	-51.8	-68.9	0	0	0	111.7	D127 F132 R341 I355 T356 N357	D127-Y130 VanDerWaalsContact CG-CZ 3.41Å; D127-Y130 WeakPolarHBondContact OD1-CE2 3.46Å; D127-Y130 VanDerWaalsContact OD1-CZ 3.32Å; D127-Y130 WeakPolarHBondContact OD2-CE1 3.45Å; D127-Y130 PolarHBondContact OD2-OH 3.19Å; Y130-F132 VanDerWaalsContact C-N 3.26Å; Y130-F132 PolarHBondContact O-N 2.58Å; Y130-R341 WeakPolarHBondContact O-CG 3.48Å; Y130-I355 HydrophobicContact CD2-CG2 4.23Å; Y130-I355 WeakPolarHBondContact CE2-O 3.02Å; Y130-T356 WeakPolarHBondContact CD2-O 3.32Å; Y130-T356 VanDerWaalsContact CE2-C 3.5Å; Y130-T356 VanDerWaalsContact CE2-CA 3.41Å; Y130-N357 HydrophobicContact CD1-CB 3.49Å; Y130-N357 VanDerWaalsContact CD1-CB 3.49Å; Y130-N357 HydrophobicContact CE1-CB 3.71Å; Y130-N357 HydrophobicContact CG-CB 3.99Å
131	Q	86.5	Confident	91.7	Very high	32 Å²	32	45.3 Å²	45.3	15%	0.15	23%	0.226	C	C	.	.	S	Bend	trans	-67.1	-30.5	174.3	-175.8	179.8	-24.5	0	0	112.3	P133 P340 A549	Q131-P133 WeakPolarHBondContact O-CD 3.37Å; Q131-P340 WeakPolarHBondContact O-CG 3.34Å; Q131-A549 PolarHBondContact NE2-O 2.95Å
132	F	92.7	Very high	91.7	Very high	8 Å²	8	40.5 Å²	40.5	4%	0.035	20%	0.199	C	C	.	.	S	Bend	trans	-118.7	79.5	176.3	-54.3	-66.5	0	0	0	108.8	Y130 Q329 C358 Q376 T377 L552	Y130-F132 VanDerWaalsContact C-N 3.26Å; Y130-F132 PolarHBondContact O-N 2.58Å; F132-Q329 HydrophobicContact CD1-CB 4.02Å; F132-C358 WeakPolarHBondContact O-CB 3.17Å; F132-C358 PolarHBondContact O-N 2.68Å; F132-Q376 HydrophobicContact CD2-CG 3.95Å; F132-Q376 HydrophobicContact CE2-CG 4.34Å; F132-T377 VanDerWaalsContact CZ-O 3.32Å; F132-T377 WeakPolarHBondContact CZ-O 3.29Å; F132-L552 HydrophobicContact CE2-CD1 4.12Å; F132-L552 HydrophobicContact CZ-CD1 3.62Å
133	P	95	Very high	91.3	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.006	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	144	-174.1	29.1	-37.3	0	0	0	112.4	Q131 L141 I328 P340 I355 T356	Q131-P133 WeakPolarHBondContact O-CD 3.37Å; P133-L141 HydrophobicContact CB-CD1 4.29Å; P133-L141 HydrophobicContact CG-CD1 3.99Å; P133-I328 WeakPolarHBondContact CD-O 3.4Å; P133-I328 HydrophobicContact CG-CG2 3.68Å; P133-I328 PolarHBondContact O-N 3.18Å; P133-P340 HydrophobicContact CG-CB 3.83Å; P133-P340 HydrophobicContact CG-CG 3.87Å; P133-I355 HydrophobicContact CB-CG2 3.56Å; P133-T356 CarbonylContact C-O 3.59Å; P133-T356 WeakPolarHBondContact CA-O 3.34Å
134	Y	96.8	Very high	90.4	Very high	50 Å²	50	41.2 Å²	41.2	20%	0.196	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	124.6	156.2	-176.5	-83.9	0	0	0	107.5	E136 S182 S325 G326 I355 T356	Y134-E136 HydrophobicContact CD1-CG 4.2Å; Y134-E136 HydrophobicContact CE1-CG 4.31Å; Y134-S182 WeakPolarHBondContact CE2-OG 3.26Å; Y134-S182 WeakPolarHBondContact OH-CB 3.27Å; Y134-S182 PolarHBondContact OH-OG 3.19Å; Y134-S325 PolarHBondContact OH-OG 2.67Å; Y134-G326 WeakPolarHBondContact CA-O 3.33Å; Y134-I355 WeakPolarHBondContact O-CA 3.26Å; Y134-T356 WeakPolarHBondContact CB-OG1 3.22Å; Y134-T356 PolarHBondContact N-O 2.77Å; Y134-T356 PolarHBondContact O-N 3.45Å
135	I	96.4	Very high	89.1	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	120.4	172.7	-56.2	-174.4	0	0	0	107	Y324 S325 G326 I328 I355	I135-Y324 HydrophobicContact CB-CD1 4.43Å; I135-S325 CarbonylContact O-C 3.48Å; I135-S325 VanDerWaalsContact O-CA 3.25Å; I135-S325 WeakPolarHBondContact O-CA 3.12Å; I135-S325 PolarHBondContact O-OG 3.44Å; I135-G326 PolarHBondContact N-O 3.43Å; I135-G326 PolarHBondContact O-N 3.31Å; I135-I328 HydrophobicContact CD1-CG2 3.88Å; I135-I328 HydrophobicContact CG1-CG2 4.04Å; I135-I355 HydrophobicContact CG1-CD1 3.95Å; I135-I355 HydrophobicContact CG2-CD1 4.44Å
136	E	94.2	Very high	87.4	Confident	40 Å²	40	38.6 Å²	38.6	19%	0.187	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	157.1	173.4	-63.7	-171.9	92.5	0	0	111.7	K111 L113 Y134 G138 G139 G354 T356	K111-E136 IonicContact NZ-OE1 2.68Å; K111-E136 PolarHBondContact NZ-OE1 3.03Å; L113-E136 HydrophobicContact CD2-CB 4.19Å; Y134-E136 HydrophobicContact CD1-CG 4.2Å; Y134-E136 HydrophobicContact CE1-CG 4.31Å; E136-G138 PolarHBondContact O-N 2.92Å; E136-G139 WeakPolarHBondContact O-CA 3.4Å; E136-G139 PolarHBondContact O-N 2.62Å; E136-G354 WeakPolarHBondContact CB-O 3.36Å; E136-G354 WeakPolarHBondContact CG-O 3.39Å; E136-G354 PolarHBondContact N-O 2.66Å; E136-G354 WeakPolarHBondContact OE2-CA 3.28Å; E136-T356 HydrophobicContact CG-CG2 4.23Å
137	Q	90.5	Very high	85.4	Confident	29 Å²	29	33.3 Å²	33.3	14%	0.136	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.6	126.4	170.8	-158.4	-173.3	14.6	0	0	110.9	Y102 G139 Q322 S325	Y102-Q137 HydrophobicContact CE1-CB 4.46Å; Y102-Q137 HydrophobicContact CE1-CG 4.46Å; Y102-Q137 WeakPolarHBondContact OH-CG 3.49Å; Q137-G139 VanDerWaalsContact C-N 3.34Å; Q137-Q322 VanDerWaalsContact NE2-OE1 3.08Å; Q137-S325 PolarHBondContact N-OG 2.87Å
138	G	90	Very high	83.2	Confident	2 Å²	2	34.6 Å²	34.6	2%	0.021	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	87.9	-8	-173.4	0	0	0	0	0	114.7	L113 E136 T307	L113-G138 WeakPolarHBondContact CD1-O 3.46Å; E136-G138 PolarHBondContact O-N 2.92Å; G138-T307 WeakPolarHBondContact O-CB 3.37Å; G138-T307 PolarHBondContact O-OG1 3.17Å
139	G	94.3	Very high	81.3	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	169.8	178.2	0	0	0	0	0	114.4	E136 Q137 Y353	E136-G139 WeakPolarHBondContact O-CA 3.4Å; E136-G139 PolarHBondContact O-N 2.62Å; Q137-G139 VanDerWaalsContact C-N 3.34Å; G139-Y353 CarbonylContact C-O 3.53Å; G139-Y353 WeakPolarHBondContact CA-O 3.33Å
140	Y	95.9	Very high	79	Confident	1 Å²	1	29.3 Å²	29.3	0%	0.004	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.7	162	171.8	69.4	-83	0	0	0	111.8	K142 F300 P304 T307 D351 G352 Y353	Y140-K142 HydrophobicContact CD2-CB 4.13Å; Y140-K142 HydrophobicContact CE2-CB 3.99Å; Y140-F300 CarbonylContact C-O 3.54Å; Y140-F300 WeakPolarHBondContact CA-O 3.49Å; Y140-F300 WeakPolarHBondContact CB-O 3.3Å; Y140-P304 HydrophobicContact CD2-CG 4.04Å; Y140-P304 HydrophobicContact CE1-CB 4.05Å; Y140-P304 HydrophobicContact CE1-CG 4.41Å; Y140-P304 HydrophobicContact CE2-CB 4.06Å; Y140-P304 HydrophobicContact CE2-CG 3.65Å; Y140-T307 WeakPolarHBondContact CD1-OG1 3.42Å; Y140-T307 HydrophobicContact CE1-CG2 4.27Å; Y140-T307 WeakPolarHBondContact CE1-OG1 3.37Å; Y140-D351 HydrophobicContact CE2-CB 4.47Å; Y140-D351 PolarHBondContact OH-OD2 3.18Å; Y140-G352 CarbonylContact O-C 3.52Å; Y140-G352 WeakPolarHBondContact O-CA 3.38Å; Y140-Y353 AromaticContact CE1-CD2 3.78Å; Y140-Y353 HydrophobicContact CE1-CD2 3.78Å; Y140-Y353 HydrophobicContact CE1-CG 4.42Å; Y140-Y353 AromaticContact CZ-CD2 3.88Å; Y140-Y353 PolarHBondContact N-O 3.46Å; Y140-Y353 PolarHBondContact O-N 3.35Å
141	L	94.8	Very high	76.2	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	135	163.7	-72.9	169	0	0	0	109.2	I116 P133 F143 S299 F300 P340 A349 I355	I116-L141 HydrophobicContact CD1-CD2 3.83Å; P133-L141 HydrophobicContact CB-CD1 4.29Å; P133-L141 HydrophobicContact CG-CD1 3.99Å; L141-F143 HydrophobicContact CB-CE2 3.62Å; L141-F143 HydrophobicContact CB-CZ 3.91Å; L141-F143 HydrophobicContact CD1-CZ 4.29Å; L141-S299 CarbonylContact O-C 3.52Å; L141-S299 WeakPolarHBondContact O-CA 2.98Å; L141-F300 PolarHBondContact N-O 2.93Å; L141-F300 PolarHBondContact O-N 2.92Å; L141-P340 HydrophobicContact CD1-CB 3.7Å; L141-A349 HydrophobicContact CD2-CB 4.31Å; L141-I355 HydrophobicContact CD1-CD1 4.3Å; L141-I355 HydrophobicContact CD2-CD1 3.83Å; L141-I355 HydrophobicContact CD2-CG1 3.76Å; L141-I355 HydrophobicContact CG-CD1 3.64Å; L141-I355 HydrophobicContact CG-CG1 4.16Å
142	K	91.7	Very high	73.5	Confident	33 Å²	33	33 Å²	33	14%	0.143	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	137.4	179.1	-174.8	-177.7	-179.4	-176.8	0	110.5	Y140 Y297 V298 A349 V350 D351	Y140-K142 HydrophobicContact CD2-CB 4.13Å; Y140-K142 HydrophobicContact CE2-CB 3.99Å; K142-Y297 HydrophobicContact CD-CD2 4.33Å; K142-Y297 VanDerWaalsContact CE-CD2 3.49Å; K142-Y297 HydrophobicContact CG-CD2 4.28Å; K142-V298 WeakPolarHBondContact CA-O 3.37Å; K142-A349 WeakPolarHBondContact O-CA 3.35Å; K142-V350 HydrophobicContact CB-CG2 4.35Å; K142-V350 HydrophobicContact CD-CG2 4.4Å; K142-V350 HydrophobicContact CG-CG2 4.07Å; K142-V350 VanDerWaalsContact O-CG2 3.31Å; K142-V350 WeakPolarHBondContact O-CG2 3.13Å; K142-V350 PolarHBondContact O-N 2.96Å; K142-D351 HydrophobicContact CB-CB 4.04Å; K142-D351 HydrophobicContact CD-CB 4.22Å; K142-D351 PolarHBondContact N-O 3Å
143	F	87.8	Confident	70.5	Confident	3 Å²	3	36 Å²	36	1%	0.013	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	140.5	179.2	-56	-89.1	0	0	0	110	L141 Y297 V298 F300 I338 P340 D348 A349	L141-F143 HydrophobicContact CB-CE2 3.62Å; L141-F143 HydrophobicContact CB-CZ 3.91Å; L141-F143 HydrophobicContact CD1-CZ 4.29Å; F143-Y297 CarbonylContact O-C 3.57Å; F143-Y297 WeakPolarHBondContact O-CA 3.17Å; F143-Y297 WeakPolarHBondContact O-CB 3.36Å; F143-V298 HydrophobicContact CB-CG1 4.09Å; F143-V298 PolarHBondContact N-O 3.31Å; F143-V298 PolarHBondContact O-N 2.85Å; F143-F300 AromaticContact CD2-CD2 3.6Å; F143-F300 HydrophobicContact CD2-CD2 3.6Å; F143-F300 AromaticContact CD2-CE2 3.79Å; F143-F300 HydrophobicContact CD2-CE2 3.79Å; F143-F300 AromaticContact CE2-CD2 3.54Å; F143-F300 HydrophobicContact CE2-CD2 3.54Å; F143-F300 HydrophobicContact CE2-CE2 4.03Å; F143-F300 HydrophobicContact CE2-CG 4.49Å; F143-I338 HydrophobicContact CD1-CG2 3.31Å; F143-I338 HydrophobicContact CE1-CG2 3.22Å; F143-I338 HydrophobicContact CE2-CG2 4.44Å; F143-I338 HydrophobicContact CG-CG2 4Å; F143-I338 HydrophobicContact CZ-CG2 3.84Å; F143-P340 HydrophobicContact CZ-CB 4.32Å; F143-D348 HydrophobicContact CD1-CB 4.08Å; F143-D348 WeakPolarHBondContact CD1-O 3.37Å; F143-D348 HydrophobicContact CE1-CB 4.39Å; F143-A349 HydrophobicContact CD1-CB 4.16Å; F143-A349 VanDerWaalsContact CE1-CA 3.49Å; F143-A349 HydrophobicContact CE1-CB 3.59Å; F143-A349 HydrophobicContact CZ-CB 4.06Å
144	Y	76.2	Confident	67.4	Low	94 Å²	94	40.9 Å²	40.9	37%	0.369	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	146.5	166.4	-77.6	-54	0	0	0	110.4	T41 F295 V350	T41-Y144 HydrophobicContact CG2-CE2 4.06Å; Y144-F295 HydrophobicContact CD1-CB 4.25Å; Y144-V350 HydrophobicContact CD2-CB 3.95Å; Y144-V350 HydrophobicContact CD2-CG1 3.69Å; Y144-V350 HydrophobicContact CD2-CG2 3.69Å; Y144-V350 HydrophobicContact CE2-CB 4.14Å; Y144-V350 HydrophobicContact CE2-CG1 4.36Å; Y144-V350 HydrophobicContact CE2-CG2 3.79Å; Y144-V350 HydrophobicContact CG-CG1 4.42Å; Y144-V350 HydrophobicContact CG-CG2 4.22Å
145	F	66.6	Low	64.1	Low	31 Å²	31	44 Å²	44	14%	0.136	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	146.3	168.1	61.6	-89.8	0	0	0	109.6	S147 L150 H193 F295 S296 V298	F145-S147 PolarHBondContact O-N 3.04Å; F145-L150 HydrophobicContact CE2-CD1 3.68Å; F145-L150 HydrophobicContact CZ-CD1 4.41Å; F145-H193 AromaticContact CE1-CE1 3.8Å; F145-H193 AromaticContact CE1-ND1 3.57Å; F145-H193 AromaticContact CZ-CE1 3.19Å; F145-H193 WeakPolarHBondContact CZ-CE1 3.31Å; F145-H193 AromaticContact CZ-ND1 3.41Å; F145-H193 WeakPolarHBondContact CZ-ND1 3.48Å; F145-F295 CarbonylContact O-C 3.58Å; F145-F295 WeakPolarHBondContact O-CA 3.45Å; F145-S296 WeakPolarHBondContact CD1-O 3.41Å; F145-S296 PolarHBondContact N-O 2.91Å; F145-S296 PolarHBondContact O-N 2.82Å; F145-V298 HydrophobicContact CD1-CB 4.48Å; F145-V298 HydrophobicContact CD1-CG1 4.14Å; F145-V298 HydrophobicContact CE1-CB 4.01Å; F145-V298 HydrophobicContact CE1-CG1 4.16Å
146	K	57	Low	61	Low	124 Å²	124	53.2 Å²	53.2	54%	0.539	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	128.1	172.9	-71.5	-175.7	177.7	-177.7	0	108.2	S148 A149 F295	K146-S148 PolarHBondContact O-N 3.38Å; K146-S148 VanDerWaalsContact O-N 3.17Å; K146-A149 VanDerWaalsContact O-CB 3.29Å; K146-A149 WeakPolarHBondContact O-CB 3.4Å; K146-A149 PolarHBondContact O-N 2.86Å; K146-F295 HydrophobicContact CD-CE1 4.31Å; K146-F295 HydrophobicContact CG-CD1 3.78Å; K146-F295 HydrophobicContact CG-CE1 3.43Å; K146-F295 VanDerWaalsContact CG-CE1 3.43Å; K146-F295 HydrophobicContact CG-CZ 4.38Å
147	S	47.3	Very low	57.9	Low	16 Å²	16	54.7 Å²	54.7	11%	0.112	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-37.2	174.4	-170.9	0	0	0	0	110.1	F145 A149 L150 Y151 E294	F145-S147 PolarHBondContact O-N 3.04Å; S147-A149 PolarHBondContact O-N 2.95Å; S147-L150 WeakPolarHBondContact O-CB 3.24Å; S147-L150 PolarHBondContact O-N 2.8Å; S147-Y151 WeakPolarHBondContact O-CD2 3.44Å; S147-E294 WeakPolarHBondContact CB-O 3.5Å; S147-E294 PolarHBondContact N-O 2.05Å
148	S	40.1	Very low	55.1	Low	58 Å²	58	62.7 Å²	62.7	41%	0.406	33%	0.334	S	S	.	.	H	α-helix	trans	-58.8	-14.4	174.2	70.9	0	0	0	0	115.4	K146 Y151 S152	K146-S148 PolarHBondContact O-N 3.38Å; K146-S148 VanDerWaalsContact O-N 3.17Å; S148-Y151 CarbonylContact O-C 3.59Å; S148-Y151 VanDerWaalsContact O-C 3.31Å; S148-Y151 WeakPolarHBondContact O-CA 3.48Å; S148-Y151 PolarHBondContact O-N 2.96Å; S148-S152 WeakPolarHBondContact O-CA 3.41Å; S148-S152 WeakPolarHBondContact O-CB 3.09Å; S148-S152 PolarHBondContact O-N 2.87Å
149	A	39.3	Very low	52.2	Low	25 Å²	25	66.7 Å²	66.7	21%	0.207	35%	0.354	C	S	.	.	H	α-helix	trans	-80.1	-16.5	173.7	0	0	0	0	0	113.6	K146 S147 N334	K146-A149 VanDerWaalsContact O-CB 3.29Å; K146-A149 WeakPolarHBondContact O-CB 3.4Å; K146-A149 PolarHBondContact O-N 2.86Å; S147-A149 PolarHBondContact O-N 2.95Å; A149-N334 PolarHBondContact O-ND2 3.34Å
150	L	35.8	Very low	48.8	Very low	20 Å²	20	74.6 Å²	74.6	11%	0.105	39%	0.391	C	S	.	.	H	α-helix	trans	-72	-21.1	158.9	-90.3	139.1	0	0	0	111.7	F145 S147 T170 Y173	F145-L150 HydrophobicContact CE2-CD1 3.68Å; F145-L150 HydrophobicContact CZ-CD1 4.41Å; S147-L150 WeakPolarHBondContact O-CB 3.24Å; S147-L150 PolarHBondContact O-N 2.8Å; L150-T170 VanDerWaalsContact O-O 3.11Å; L150-Y173 HydrophobicContact CD2-CD1 3.55Å; L150-Y173 HydrophobicContact CD2-CG 3.7Å
151	Y	31.6	Very low	45.5	Very low	97 Å²	97	86 Å²	86	38%	0.38	43%	0.434	S	S	.	.	H	α-helix	trans	-116.1	-4.3	-166.3	-73.9	-77.1	0	0	0	114.9	S147 S148 N171	S147-Y151 WeakPolarHBondContact O-CD2 3.44Å; S148-Y151 CarbonylContact O-C 3.59Å; S148-Y151 VanDerWaalsContact O-C 3.31Å; S148-Y151 WeakPolarHBondContact O-CA 3.48Å; S148-Y151 PolarHBondContact O-N 2.96Å; Y151-N171 WeakPolarHBondContact CE1-OD1 2.99Å; Y151-N171 VanDerWaalsContact CZ-OD1 3.24Å; Y151-N171 PolarHBondContact OH-ND2 2.58Å; Y151-N171 PolarHBondContact OH-OD1 2.93Å
152	S	28.6	Very low	42.1	Very low	60 Å²	60	91 Å²	91	42%	0.42	47%	0.468	S	S	.	.	S	Bend	trans	-149.1	112.7	-177.5	179	0	0	0	0	106.9	S148 I154	S148-S152 WeakPolarHBondContact O-CA 3.41Å; S148-S152 WeakPolarHBondContact O-CB 3.09Å; S148-S152 PolarHBondContact O-N 2.87Å; S152-I154 PolarHBondContact O-N 3.26Å
153	G	29.9	Very low	38.9	Very low	72 Å²	72	96.1 Å²	96.1	74%	0.742	50%	0.497	S	S	*	.			trans	-44.4	127	161.1	0	0	0	0	0	108.9	N155	G153-N155 PolarHBondContact O-N 2.97Å
154	I	31.3	Very low	35.9	Very low	103 Å²	103	105.1 Å²	105.1	53%	0.528	54%	0.54	S	S	.	.			trans	-66.6	119.2	178.8	-70.3	169.8	0	0	0	107	S152 Q156 V336	S152-I154 PolarHBondContact O-N 3.26Å; I154-Q156 PolarHBondContact O-N 3.15Å; I154-V336 HydrophobicContact CD1-CG2 3.4Å
155	N	27.3	Very low	33.4	Very low	115 Å²	115	107.3 Å²	107.3	62%	0.615	56%	0.562	S	S	*	*			trans	-6.6	93.1	167.7	-70.1	-24.8	0	0	0	115	G153 S157	G153-N155 PolarHBondContact O-N 2.97Å; N155-S157 PolarHBondContact O-N 3.36Å
156	Q	31.6	Very low	31.3	Very low	195 Å²	195	110.8 Å²	110.8	91%	0.911	59%	0.59	S	S	*	*	S	Bend	trans	-84.3	16.3	153.1	-145.3	173	8.6	0	0	111.6	I154	I154-Q156 PolarHBondContact O-N 3.15Å
157	S	29	Very low	29.8	Very low	70 Å²	70	113.1 Å²	113.1	49%	0.49	61%	0.605	S	S	.	*			trans	-145.7	58.7	178.4	56.8	0	0	0	0	114.3	N155 I159	N155-S157 PolarHBondContact O-N 3.36Å; S157-I159 WeakPolarHBondContact CA-O 3.35Å; S157-I159 WeakPolarHBondContact CB-O 3.47Å
158	F	31.3	Very low	28.8	Very low	197 Å²	197	118.9 Å²	118.9	86%	0.864	64%	0.635	S	S	*	*	S	Bend	trans	-77.6	2.1	139.9	-125.8	-90.2	0	0	0	111.5
159	I	28.5	Very low	28.6	Very low	86 Å²	86	120.1 Å²	120.1	44%	0.441	64%	0.643	S	S	.	*	S	Bend	trans	-114.2	125.3	160.3	-63.6	175.5	0	0	0	106.3	S157	S157-I159 WeakPolarHBondContact CA-O 3.35Å; S157-I159 WeakPolarHBondContact CB-O 3.47Å
160	E	23.8	Very low	28.6	Very low	167 Å²	167	121.5 Å²	121.5	78%	0.78	65%	0.65	S	S	*	*			trans	91.6	88.1	176.6	-65.7	165	-149.5	0	0	116.7
161	R	25.7	Very low	29.5	Very low	241 Å²	241	123.8 Å²	123.8	91%	0.909	66%	0.662	S	S	*	*			trans	-42.6	141.5	153.7	-63.4	171.2	179	175.5	-0.4	111.2
162	S	24.4	Very low	31.3	Very low	104 Å²	104	121 Å²	121	73%	0.727	66%	0.655	S	S	*	*			trans	91.4	124.2	157.9	79.2	0	0	0	0	119.1
163	N	23.7	Very low	33.9	Very low	140 Å²	140	118.5 Å²	118.5	75%	0.749	64%	0.636	S	S	*	*			trans	82.5	93.7	151.8	-60.6	-18.1	0	0	0	120
164	Q	24.2	Very low	36.6	Very low	193 Å²	193	117.9 Å²	117.9	90%	0.902	61%	0.613	S	S	*	*			trans	51.9	75.2	131.9	-62.6	-173.8	-14.5	0	0	116.7
165	V	24.5	Very low	39.6	Very low	140 Å²	140	113.1 Å²	113.1	85%	0.848	59%	0.589	S	S	*	*			trans	-87.8	117.4	151.2	-179.7	0	0	0	0	107.4	M167	V165-M167 PolarHBondContact O-N 2.87Å
166	S	22.9	Very low	42.8	Very low	103 Å²	103	107.6 Å²	107.6	72%	0.72	56%	0.559	S	S	*	*			trans	-61.8	127.9	175	46.2	0	0	0	0	110.6	N168	S166-N168 PolarHBondContact O-N 2.73Å; S166-N168 VanDerWaalsContact O-N 3.1Å
167	M	25.9	Very low	45.9	Very low	173 Å²	173	98.3 Å²	98.3	85%	0.852	52%	0.516	S	S	*	.			trans	-70	100.5	174.8	-68.6	-163.1	177.2	0	0	110.3	V165	V165-M167 PolarHBondContact O-N 2.87Å
168	N	25.4	Very low	49.1	Very low	137 Å²	137	97.1 Å²	97.1	73%	0.733	50%	0.502	S	S	*	.			trans	-86.8	107.7	149.5	-83.2	-5.6	0	0	0	106.6	S166 T170	S166-N168 PolarHBondContact O-N 2.73Å; S166-N168 VanDerWaalsContact O-N 3.1Å; N168-T170 PolarHBondContact O-N 2.64Å
169	S	35.6	Very low	52.3	Low	84 Å²	84	87.7 Å²	87.7	59%	0.587	46%	0.461	S	S	*	.			trans	-65.5	83.3	168.8	65.7	0	0	0	0	109	N171	S169-N171 PolarHBondContact O-N 3.06Å
170	T	39.2	Very low	55.6	Low	55 Å²	55	85.8 Å²	85.8	34%	0.337	45%	0.449	S	S	.	.			trans	-81.1	116.3	168.2	53.3	0	0	0	0	107.1	L150 N168 T172 V254	L150-T170 VanDerWaalsContact O-O 3.11Å; N168-T170 PolarHBondContact O-N 2.64Å; T170-T172 PolarHBondContact O-N 3.4Å; T170-T172 PolarHBondContact OG1-OG1 3.4Å; T170-V254 HydrophobicContact CG2-CG1 3.93Å
171	N	55.5	Low	59.1	Low	68 Å²	68	77.9 Å²	77.9	36%	0.364	41%	0.411	S	S	.	.			trans	-64.8	53.2	173.5	-70.7	12.8	0	0	0	111.5	Y151 S169	Y151-N171 WeakPolarHBondContact CE1-OD1 2.99Å; Y151-N171 VanDerWaalsContact CZ-OD1 3.24Å; Y151-N171 PolarHBondContact OH-ND2 2.58Å; Y151-N171 PolarHBondContact OH-OD1 2.93Å; S169-N171 PolarHBondContact O-N 3.06Å
172	T	69.2	Low	62.5	Low	37 Å²	37	67.6 Å²	67.6	23%	0.227	38%	0.376	C	S	.	.			trans	-107.1	131.2	-174	53.5	0	0	0	0	110.3	T170 V254	T170-T172 PolarHBondContact O-N 3.4Å; T170-T172 PolarHBondContact OG1-OG1 3.4Å; T172-V254 VanDerWaalsContact CG2-CA 3.5Å; T172-V254 HydrophobicContact CG2-CB 4.35Å; T172-V254 HydrophobicContact CG2-CG2 4.05Å
173	Y	82.1	Confident	65.8	Low	9 Å²	9	66 Å²	66	4%	0.035	36%	0.359	C	S	.	.			trans	-132.4	159.8	164.4	65.3	-65.5	0	0	0	110.8	L150 V175 F200 F202 Y213 F250 G251 E252 N334	L150-Y173 HydrophobicContact CD2-CD1 3.55Å; L150-Y173 HydrophobicContact CD2-CG 3.7Å; Y173-V175 HydrophobicContact CD2-CG2 4.09Å; Y173-V175 HydrophobicContact CE2-CG2 4.4Å; Y173-F200 HydrophobicContact CD1-CE1 4.39Å; Y173-F200 HydrophobicContact CD1-CZ 4.47Å; Y173-F200 AromaticContact CE1-CE1 3.73Å; Y173-F200 HydrophobicContact CE1-CE1 3.73Å; Y173-F200 AromaticContact CE1-CZ 3.49Å; Y173-F200 HydrophobicContact CE1-CZ 3.49Å; Y173-F200 VanDerWaalsContact CE1-CZ 3.49Å; Y173-F200 AromaticContact CZ-CZ 3.82Å; Y173-F202 HydrophobicContact CD2-CE1 4.02Å; Y173-F202 HydrophobicContact CD2-CZ 4.34Å; Y173-F202 HydrophobicContact CE1-CD1 4.45Å; Y173-F202 AromaticContact CE2-CD1 3.62Å; Y173-F202 HydrophobicContact CE2-CD1 3.62Å; Y173-F202 HydrophobicContact CE2-CD2 4.49Å; Y173-F202 AromaticContact CE2-CE1 3.36Å; Y173-F202 HydrophobicContact CE2-CE1 3.36Å; Y173-F202 HydrophobicContact CE2-CE2 4.29Å; Y173-F202 HydrophobicContact CE2-CG 4.19Å; Y173-F202 AromaticContact CE2-CZ 3.74Å; Y173-F202 HydrophobicContact CE2-CZ 3.74Å; Y173-F202 AromaticContact CZ-CD1 3.51Å; Y173-F202 AromaticContact CZ-CE1 3.73Å; Y173-F202 WeakPolarHBondContact OH-CB 3.39Å; Y173-F202 WeakPolarHBondContact OH-CD1 3.32Å; Y173-F202 VanDerWaalsContact OH-CG 3.29Å; Y173-F202 WeakPolarHBondContact OH-CG 3.37Å; Y173-Y213 WeakPolarHBondContact OH-CE2 3.32Å; Y173-Y213 PolarHBondContact OH-OH 2.97Å; Y173-F250 HydrophobicContact CE2-CE2 4.4Å; Y173-G251 CarbonylContact O-C 3.58Å; Y173-G251 WeakPolarHBondContact O-CA 3.43Å; Y173-E252 HydrophobicContact CD1-CB 4.25Å; Y173-E252 HydrophobicContact CD1-CG 4.4Å; Y173-E252 HydrophobicContact CE1-CB 4.06Å; Y173-E252 HydrophobicContact CE1-CG 3.73Å; Y173-E252 PolarHBondContact O-N 3.49Å; Y173-N334 VanDerWaalsContact CA-OD1 3.24Å; Y173-N334 WeakPolarHBondContact CA-OD1 3.26Å
174	K	88.6	Confident	69.2	Low	59 Å²	59	60.2 Å²	60.2	26%	0.257	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	130.6	175.3	179.4	177.1	176.1	-140.7	0	108.9	D176 S249 F250 F259 N334 E335	K174-D176 WeakPolarHBondContact CE-OD1 3.48Å; K174-D176 WeakPolarHBondContact CE-OD2 3.25Å; K174-D176 IonicContact NZ-OD1 3.82Å; K174-D176 PolarHBondContact NZ-OD1 3.13Å; K174-D176 IonicContact NZ-OD2 3.37Å; K174-D176 PolarHBondContact NZ-OD2 3.33Å; K174-S249 WeakPolarHBondContact CE-OG 3.43Å; K174-F250 WeakPolarHBondContact CA-O 3.34Å; K174-F259 HydrophobicContact CD-CZ 4.46Å; K174-F259 HydrophobicContact CG-CZ 4.12Å; K174-N334 PolarHBondContact N-OD1 2.85Å; K174-N334 PolarHBondContact O-N 3.05Å; K174-N334 PolarHBondContact O-OD1 2.99Å; K174-E335 IonicContact NZ-OE1 2.85Å; K174-E335 PolarHBondContact NZ-OE1 2.96Å
175	V	93	Very high	72.5	Confident	2 Å²	2	57.4 Å²	57.4	1%	0.012	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	124.6	172.4	-177.4	0	0	0	0	107.9	Y173 L177 F202 S249 F250 F300 R332	Y173-V175 HydrophobicContact CD2-CG2 4.09Å; Y173-V175 HydrophobicContact CE2-CG2 4.4Å; V175-L177 HydrophobicContact CG1-CD2 4.11Å; V175-F202 HydrophobicContact CG2-CZ 4.49Å; V175-S249 WeakPolarHBondContact O-CA 3.43Å; V175-F250 HydrophobicContact CB-CD1 4.15Å; V175-F250 HydrophobicContact CB-CE1 3.6Å; V175-F250 HydrophobicContact CB-CE2 4.13Å; V175-F250 HydrophobicContact CB-CZ 3.59Å; V175-F250 HydrophobicContact CG1-CE1 3.68Å; V175-F250 HydrophobicContact CG1-CZ 3.82Å; V175-F250 HydrophobicContact CG2-CE1 4.45Å; V175-F250 HydrophobicContact CG2-CE2 4.19Å; V175-F250 HydrophobicContact CG2-CZ 3.94Å; V175-F250 PolarHBondContact N-O 2.74Å; V175-F250 PolarHBondContact O-N 2.91Å; V175-F300 HydrophobicContact CG1-CE1 4.02Å; V175-F300 HydrophobicContact CG1-CZ 3.98Å; V175-R332 WeakPolarHBondContact CA-O 3.38Å
176	D	94.7	Very high	75.7	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	140.6	172.9	-57.7	-78.8	0	0	0	109.2	K174 Y247 I248 S249 I331 R332	K174-D176 WeakPolarHBondContact CE-OD1 3.48Å; K174-D176 WeakPolarHBondContact CE-OD2 3.25Å; K174-D176 IonicContact NZ-OD1 3.82Å; K174-D176 PolarHBondContact NZ-OD1 3.13Å; K174-D176 IonicContact NZ-OD2 3.37Å; K174-D176 PolarHBondContact NZ-OD2 3.33Å; D176-Y247 HydrophobicContact CB-CE2 4.28Å; D176-Y247 PolarHBondContact OD1-OH 2.93Å; D176-I248 CarbonylContact C-O 3.39Å; D176-I248 WeakPolarHBondContact CA-O 3.5Å; D176-S249 WeakPolarHBondContact OD1-CB 3.45Å; D176-S249 PolarHBondContact OD1-OG 3.12Å; D176-I331 CarbonylContact O-C 3.56Å; D176-I331 WeakPolarHBondContact O-CA 3.33Å; D176-R332 HydrophobicContact CB-CB 4.21Å; D176-R332 PolarHBondContact N-O 2.96Å; D176-R332 PolarHBondContact O-N 3.23Å
177	L	96.5	Very high	79	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	159.7	173.9	63.8	157	0	0	0	110.8	V175 I179 L190 I248 F250 F300 I328 I331	V175-L177 HydrophobicContact CG1-CD2 4.11Å; L177-I179 HydrophobicContact CD1-CG2 3.53Å; L177-I179 HydrophobicContact CG-CG2 4.28Å; L177-L190 HydrophobicContact CD1-CD2 4.46Å; L177-I248 HydrophobicContact CD2-CB 4.35Å; L177-I248 PolarHBondContact N-O 3.02Å; L177-I248 PolarHBondContact O-N 2.69Å; L177-F250 HydrophobicContact CD2-CD1 4.38Å; L177-F250 HydrophobicContact CD2-CE1 3.87Å; L177-F300 HydrophobicContact CD1-CD1 4.18Å; L177-F300 HydrophobicContact CD1-CE1 4.27Å; L177-I328 HydrophobicContact CD1-CD1 3.61Å; L177-I328 HydrophobicContact CD1-CG1 4.09Å; L177-I331 HydrophobicContact CB-CG1 4.27Å
178	E	97.1	Very high	82.3	Confident	44 Å²	44	41.5 Å²	41.5	21%	0.206	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	134.3	167	-72.5	168.8	-151.2	0	0	109.7	W245 Y246 Y247 I328 Q329 N330	E178-W245 HydrophobicContact CB-CE3 4.04Å; E178-W245 HydrophobicContact CB-CZ3 4.12Å; E178-Y246 VanDerWaalsContact CA-O 3.28Å; E178-Y246 WeakPolarHBondContact CA-O 3.36Å; E178-Y247 HydrophobicContact CG-CD2 4.04Å; E178-I328 WeakPolarHBondContact O-CA 3.43Å; E178-Q329 HydrophobicContact CB-CG 3.82Å; E178-Q329 PolarHBondContact N-O 3.42Å; E178-Q329 PolarHBondContact O-N 3.42Å; E178-Q329 PolarHBondContact OE2-NE2 2.74Å; E178-N330 HydrophobicContact CG-CB 4.28Å; E178-N330 PolarHBondContact OE1-ND2 2.8Å; E178-N330 PolarHBondContact OE2-ND2 2.79Å; E178-N330 VanDerWaalsContact OE2-ND2 3.1Å
179	I	98	Very high	85.7	Confident	0 Å²	0	35 Å²	35	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	148.7	177.5	62.9	164.9	0	0	0	112.1	L177 L190 I206 L240 W245 Y246 I248 Y324 C327 I328	L177-I179 HydrophobicContact CD1-CG2 3.53Å; L177-I179 HydrophobicContact CG-CG2 4.28Å; I179-L190 HydrophobicContact CD1-CD2 3.85Å; I179-L190 HydrophobicContact CG2-CD1 4.24Å; I179-L190 HydrophobicContact CG2-CD2 4.1Å; I179-I206 HydrophobicContact CD1-CD1 3.95Å; I179-L240 HydrophobicContact CD1-CD1 4.15Å; I179-W245 CarbonylContact O-C 3.44Å; I179-W245 WeakPolarHBondContact O-CA 3.49Å; I179-Y246 PolarHBondContact N-O 2.77Å; I179-Y246 PolarHBondContact O-N 3.27Å; I179-I248 HydrophobicContact CD1-CD1 3.46Å; I179-I248 VanDerWaalsContact CD1-CD1 3.46Å; I179-I248 HydrophobicContact CG1-CD1 3.78Å; I179-I248 HydrophobicContact CG1-CG1 4.46Å; I179-Y324 HydrophobicContact CB-CE2 4.4Å; I179-Y324 HydrophobicContact CD1-CE2 4.19Å; I179-C327 CarbonylContact C-O 3.44Å; I179-C327 VanDerWaalsContact CA-O 3.3Å; I179-C327 WeakPolarHBondContact CA-O 3.22Å; I179-I328 HydrophobicContact CG2-CG1 4.32Å
180	R	97.7	Very high	88.6	Confident	46 Å²	46	31 Å²	31	17%	0.174	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	85.6	164.6	-167.8	-176.8	77.6	-168.5	-4.9	108.9	E243 Q244 W245 Y324 G326 C327 S380	R180-E243 VanDerWaalsContact CG-C 3.48Å; R180-E243 IonicContact CZ-OE2 2.79Å; R180-E243 IonicContact NE-OE2 3.43Å; R180-E243 PolarHBondContact NE-OE2 2.84Å; R180-E243 VanDerWaalsContact NE-OE2 3.09Å; R180-E243 IonicContact NH2-OE2 2.77Å; R180-Q244 WeakPolarHBondContact CA-O 3.44Å; R180-W245 HydrophobicContact CB-CD2 3.83Å; R180-W245 HydrophobicContact CB-CE3 3.92Å; R180-W245 HydrophobicContact CB-CG 4.38Å; R180-W245 HydrophobicContact CB-CH2 4.19Å; R180-W245 HydrophobicContact CB-CZ2 4.1Å; R180-W245 HydrophobicContact CB-CZ3 4.09Å; R180-W245 HydrophobicContact CG-CD2 4.46Å; R180-Y324 VanDerWaalsContact C-OH 3.3Å; R180-Y324 PolarHBondContact N-OH 2.78Å; R180-Y324 PolarHBondContact O-OH 2.89Å; R180-G326 WeakPolarHBondContact O-CA 3.4Å; R180-C327 HydrophobicContact CB-CB 3.95Å; R180-C327 PolarHBondContact N-O 3.47Å; R180-C327 PolarHBondContact NH2-SG 2.97Å; R180-C327 PolarHBondContact O-N 3Å; R180-S380 PolarHBondContact NH1-OG 3.45Å
181	P	98	Very high	91.4	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	135.9	-176.4	24.6	-31.9	0	0	0	111.1	T184 I206 S242 E243 Q244 Y324	P181-T184 HydrophobicContact CB-CG2 3.81Å; P181-T184 HydrophobicContact CG-CG2 3.7Å; P181-I206 HydrophobicContact CB-CD1 4.14Å; P181-S242 CarbonylContact O-C 3.57Å; P181-S242 WeakPolarHBondContact O-CA 3.49Å; P181-E243 PolarHBondContact O-N 2.89Å; P181-Q244 WeakPolarHBondContact CD-O 3.42Å; P181-Y324 HydrophobicContact CB-CE2 3.83Å
182	S	96.7	Very high	93.3	Very high	25 Å²	25	25.1 Å²	25.1	18%	0.175	14%	0.137	C	C	.	.	S	Bend	trans	-83.6	-26.9	169	-68.9	0	0	0	0	112.4	Y134 E243 S325	Y134-S182 WeakPolarHBondContact CE2-OG 3.26Å; Y134-S182 WeakPolarHBondContact OH-CB 3.27Å; Y134-S182 PolarHBondContact OH-OG 3.19Å; S182-E243 VanDerWaalsContact CA-OE1 3.3Å; S182-E243 WeakPolarHBondContact CA-OE1 3.32Å; S182-E243 WeakPolarHBondContact CB-OE1 2.91Å; S182-E243 PolarHBondContact OG-OE1 3.46Å; S182-S325 PolarHBondContact N-O 2.83Å
183	L	94.2	Very high	94.3	Very high	71 Å²	71	23.4 Å²	23.4	37%	0.372	13%	0.127	S	C	.	.			trans	-129.1	134.8	179	-59.8	172	0	0	0	109.7	Y188	L183-Y188 HydrophobicContact CB-CE1 4.04Å; L183-Y188 HydrophobicContact CB-CE2 4.06Å; L183-Y188 HydrophobicContact CD1-CE1 4.05Å
184	T	95.1	Very high	94.4	Very high	18 Å²	18	24.6 Å²	24.6	11%	0.11	13%	0.132	C	C	.	.			trans	-130.5	-17.1	177.5	59.9	0	0	0	0	113.3	P181 G209 L240	P181-T184 HydrophobicContact CB-CG2 3.81Å; P181-T184 HydrophobicContact CG-CG2 3.7Å; T184-G209 PolarHBondContact O-N 3.07Å; T184-L240 WeakPolarHBondContact CB-O 3.26Å; T184-L240 HydrophobicContact CG2-CB 4.08Å; T184-L240 WeakPolarHBondContact CG2-O 3.31Å; T184-L240 PolarHBondContact OG1-O 2.81Å
185	D	92.2	Very high	93.7	Very high	135 Å²	135	22.2 Å²	22.2	72%	0.722	12%	0.123	S	C	*	.	S	Bend	trans	-82.8	115.5	174.5	-169.6	17.3	0	0	0	109.9	Y188	D185-Y188 VanDerWaalsContact O-CE2 3.27Å; D185-Y188 WeakPolarHBondContact O-CE2 3.43Å; D185-Y188 PolarHBondContact O-OH 2.73Å
186	G	91.4	Very high	92.5	Very high	18 Å²	18	26.1 Å²	26.1	19%	0.186	14%	0.144	C	C	.	.	S	Bend	trans	114.2	-166.4	-171.2	0	0	0	0	0	114.5	E207 N208	G186-E207 CarbonylContact O-C 3.58Å; G186-E207 WeakPolarHBondContact O-CA 3.32Å; G186-N208 PolarHBondContact O-N 2.81Å
187	S	93.2	Very high	91.1	Very high	50 Å²	50	32.6 Å²	32.6	35%	0.35	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	107.5	-175.3	-67.8	0	0	0	0	111.2	I206	S187-I206 CarbonylContact C-O 3.55Å; S187-I206 WeakPolarHBondContact CA-O 3.34Å
188	Y	94.6	Very high	89.7	Confident	14 Å²	14	33.1 Å²	33.1	6%	0.055	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	125.5	-175.1	-53.9	-84.1	0	0	0	111	L183 D185 L190 S205 I206 Q322	L183-Y188 HydrophobicContact CB-CE1 4.04Å; L183-Y188 HydrophobicContact CB-CE2 4.06Å; L183-Y188 HydrophobicContact CD1-CE1 4.05Å; D185-Y188 VanDerWaalsContact O-CE2 3.27Å; D185-Y188 WeakPolarHBondContact O-CE2 3.43Å; D185-Y188 PolarHBondContact O-OH 2.73Å; Y188-L190 PolarHBondContact O-N 3.1Å; Y188-S205 CarbonylContact O-C 3.42Å; Y188-S205 WeakPolarHBondContact O-CA 3.35Å; Y188-S205 VanDerWaalsContact O-CB 3.31Å; Y188-S205 WeakPolarHBondContact O-CB 3.05Å; Y188-I206 PolarHBondContact N-O 3.25Å; Y188-I206 PolarHBondContact O-N 2.78Å; Y188-Q322 WeakPolarHBondContact CA-O 3.41Å; Y188-Q322 HydrophobicContact CD1-CB 3.76Å; Y188-Q322 HydrophobicContact CE1-CB 4.06Å; Y188-Q322 VanDerWaalsContact CE1-OE1 3.31Å
189	L	96.1	Very high	88.6	Confident	0 Å²	0	34 Å²	34	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	118.9	171.8	-176.5	61.3	0	0	0	109.4	V191 G301 G302 H303 L306 I313 F320 Q322 Y324	L189-V191 WeakPolarHBondContact CD1-O 3.21Å; L189-G301 CarbonylContact O-C 3.46Å; L189-G301 VanDerWaalsContact O-O 3.1Å; L189-G302 WeakPolarHBondContact O-CA 3.49Å; L189-G302 PolarHBondContact O-N 3.16Å; L189-H303 HydrophobicContact CD2-CB 3.86Å; L189-L306 HydrophobicContact CB-CD1 4.36Å; L189-L306 HydrophobicContact CD2-CD1 4.07Å; L189-I313 HydrophobicContact CD2-CD1 3.96Å; L189-F320 HydrophobicContact CB-CB 4.12Å; L189-F320 HydrophobicContact CB-CD1 3.82Å; L189-F320 HydrophobicContact CB-CE1 4.39Å; L189-F320 HydrophobicContact CB-CG 3.91Å; L189-F320 HydrophobicContact CD1-CD1 4.33Å; L189-F320 HydrophobicContact CD1-CD2 4.2Å; L189-F320 HydrophobicContact CD1-CE1 4.21Å; L189-F320 HydrophobicContact CD1-CE2 4.07Å; L189-F320 HydrophobicContact CD1-CG 4.32Å; L189-F320 HydrophobicContact CD1-CZ 4.06Å; L189-F320 HydrophobicContact CD2-CB 4.43Å; L189-F320 HydrophobicContact CD2-CD2 4.31Å; L189-F320 HydrophobicContact CD2-CG 4.31Å; L189-F320 HydrophobicContact CG-CG 4.42Å; L189-Q322 PolarHBondContact N-O 2.93Å; L189-Y324 PolarHBondContact O-N 2.98Å
190	L	97.4	Very high	87.8	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	-44.5	-177.7	169.7	60	0	0	0	112.3	L177 I179 Y188 L204 F300 G301 Y324	L177-L190 HydrophobicContact CD1-CD2 4.46Å; I179-L190 HydrophobicContact CD1-CD2 3.85Å; I179-L190 HydrophobicContact CG2-CD1 4.24Å; I179-L190 HydrophobicContact CG2-CD2 4.1Å; Y188-L190 PolarHBondContact O-N 3.1Å; L190-L204 WeakPolarHBondContact CA-O 3.32Å; L190-L204 WeakPolarHBondContact CB-O 3.45Å; L190-L204 HydrophobicContact CD2-CD2 3.71Å; L190-L204 HydrophobicContact CD2-CG 4.4Å; L190-L204 HydrophobicContact CG-CD2 4.29Å; L190-L204 PolarHBondContact N-O 2.77Å; L190-F300 CarbonylContact O-C 3.47Å; L190-F300 WeakPolarHBondContact O-CA 3.04Å; L190-G301 PolarHBondContact O-N 3.04Å; L190-Y324 HydrophobicContact CB-CD2 4.4Å; L190-Y324 HydrophobicContact CB-CG 4.39Å; L190-Y324 HydrophobicContact CD1-CD1 3.65Å; L190-Y324 HydrophobicContact CD1-CD2 3.66Å; L190-Y324 HydrophobicContact CD1-CE1 4.07Å; L190-Y324 HydrophobicContact CD1-CE2 4.05Å; L190-Y324 HydrophobicContact CD1-CG 3.43Å; L190-Y324 VanDerWaalsContact CD1-CG 3.43Å; L190-Y324 HydrophobicContact CG-CD2 4.39Å; L190-Y324 HydrophobicContact CG-CG 4.42Å
191	V	97.4	Very high	87.3	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	138.8	174.8	-171.7	0	0	0	0	109.4	L189 F202 S203 L204 F250 V298 S299 F300	L189-V191 WeakPolarHBondContact CD1-O 3.21Å; V191-F202 HydrophobicContact CG1-CE2 3.85Å; V191-S203 CarbonylContact O-C 3.58Å; V191-S203 WeakPolarHBondContact O-CA 3.48Å; V191-L204 HydrophobicContact CB-CB 3.75Å; V191-L204 HydrophobicContact CG2-CB 3.91Å; V191-L204 HydrophobicContact CG2-CD2 4.12Å; V191-L204 PolarHBondContact N-O 2.8Å; V191-L204 PolarHBondContact O-N 2.71Å; V191-F250 HydrophobicContact CB-CZ 4.2Å; V191-F250 HydrophobicContact CG1-CZ 4.12Å; V191-F250 HydrophobicContact CG2-CE1 4.3Å; V191-F250 HydrophobicContact CG2-CZ 4.17Å; V191-V298 HydrophobicContact CG1-CG2 3.47Å; V191-V298 VanDerWaalsContact CG1-CG2 3.47Å; V191-S299 CarbonylContact C-O 3.46Å; V191-S299 VanDerWaalsContact CA-O 3.27Å; V191-S299 WeakPolarHBondContact CA-O 3.44Å; V191-S299 WeakPolarHBondContact CG1-O 3.44Å; V191-F300 HydrophobicContact CG1-CD1 4.5Å; V191-F300 HydrophobicContact CG1-CE1 4.4Å; V191-F300 HydrophobicContact CG2-CD1 3.71Å; V191-F300 HydrophobicContact CG2-CE1 3.91Å
192	S	95.1	Very high	87	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	139.5	171.5	63.4	0	0	0	0	111.3	V298 S299 G302 H303	S192-V298 CarbonylContact O-C 3.46Å; S192-V298 WeakPolarHBondContact O-CA 3.06Å; S192-S299 PolarHBondContact N-O 2.8Å; S192-S299 PolarHBondContact O-N 2.8Å; S192-G302 PolarHBondContact OG-O 3.02Å; S192-H303 PolarHBondContact OG-CD2 3.2Å
193	H	91.1	Very high	87	Confident	1 Å²	1	34 Å²	34	1%	0.005	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	136.9	177.9	165.1	69.7	0	0	0	111.3	F145 F200 K201 F202 S296 Y297 V298 F315	F145-H193 AromaticContact CE1-CE1 3.8Å; F145-H193 AromaticContact CE1-ND1 3.57Å; F145-H193 AromaticContact CZ-CE1 3.19Å; F145-H193 WeakPolarHBondContact CZ-CE1 3.31Å; F145-H193 AromaticContact CZ-ND1 3.41Å; F145-H193 WeakPolarHBondContact CZ-ND1 3.48Å; H193-F200 AromaticContact CD2-CD1 3.92Å; H193-F200 AromaticContact NE2-CD1 3.71Å; H193-K201 WeakPolarHBondContact O-CA 3.16Å; H193-K201 WeakPolarHBondContact O-CB 3.43Å; H193-F202 HydrophobicContact CB-CD1 3.57Å; H193-F202 HydrophobicContact CB-CD2 3.79Å; H193-F202 HydrophobicContact CB-CE1 3.29Å; H193-F202 HydrophobicContact CB-CE2 3.51Å; H193-F202 HydrophobicContact CB-CG 3.81Å; H193-F202 HydrophobicContact CB-CZ 3.26Å; H193-F202 AromaticContact CD2-CD1 3.22Å; H193-F202 WeakPolarHBondContact CD2-CD1 3.22Å; H193-F202 AromaticContact CD2-CE1 3.19Å; H193-F202 WeakPolarHBondContact CD2-CE1 3.34Å; H193-F202 AromaticContact CG-CD1 3.58Å; H193-F202 AromaticContact CG-CE1 3.2Å; H193-F202 AromaticContact CG-CZ 3.64Å; H193-F202 PolarHBondContact N-O 3.42Å; H193-F202 PolarHBondContact O-N 2.84Å; H193-F202 VanDerWaalsContact O-N 3.12Å; H193-S296 VanDerWaalsContact CE1-CB 3.48Å; H193-S296 WeakPolarHBondContact CE1-CB 3.28Å; H193-Y297 PolarHBondContact ND1-O 3.07Å; H193-V298 HydrophobicContact CB-CG2 4.49Å; H193-F315 WeakPolarHBondContact O-CZ 3.43Å
194	E	83.3	Confident	87.2	Confident	33 Å²	33	30.6 Å²	30.6	15%	0.154	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	126	170	-179.7	157.1	-176.5	0	0	109.9	K201 Y297	E194-K201 HydrophobicContact CB-CG 4.45Å; E194-K201 HydrophobicContact CG-CD 4.31Å; E194-K201 HydrophobicContact CG-CG 4.28Å; E194-K201 VanDerWaalsContact OE1-CE 3.26Å; E194-K201 WeakPolarHBondContact OE1-CE 3.4Å; E194-K201 IonicContact OE1-NZ 3.44Å; E194-K201 PolarHBondContact OE1-NZ 2.86Å; E194-K201 IonicContact OE2-NZ 2.75Å; E194-K201 PolarHBondContact OE2-NZ 2.81Å; E194-Y297 HydrophobicContact CB-CE1 4.35Å
195	S	75.2	Confident	87.3	Confident	10 Å²	10	29.7 Å²	29.7	7%	0.07	16%	0.159	C	C	.	.			trans	-63.6	143.7	168.5	168.4	0	0	0	0	110.2	K197 G198 D199 F200	S195-K197 PolarHBondContact O-N 2.91Å; S195-K197 PolarHBondContact OG-N 2.8Å; S195-G198 WeakPolarHBondContact O-CA 3.16Å; S195-G198 PolarHBondContact O-N 2.65Å; S195-D199 WeakPolarHBondContact CB-OD1 3.44Å; S195-D199 PolarHBondContact OG-OD1 2.86Å; S195-F200 VanDerWaalsContact CB-O 3.29Å; S195-F200 WeakPolarHBondContact CB-O 3.19Å; S195-F200 PolarHBondContact N-O 2.85Å
196	N	67.6	Low	87.5	Confident	84 Å²	84	23.3 Å²	23.3	45%	0.449	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-29.7	173.7	-77.7	4.3	0	0	0	113.5	G198 F295	N196-G198 PolarHBondContact O-N 3.46Å; N196-F295 PolarHBondContact ND2-O 3Å; N196-F295 PolarHBondContact OD1-O 3.1Å
197	K	65	Low	87.7	Confident	135 Å²	135	24.1 Å²	24.1	59%	0.587	12%	0.124	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-10.8	175.7	-70.6	174.8	-175.8	163	0	111.8	S195 D199 E294	S195-K197 PolarHBondContact O-N 2.91Å; S195-K197 PolarHBondContact OG-N 2.8Å; K197-D199 HydrophobicContact CB-CB 4.23Å; K197-D199 VanDerWaalsContact CB-CG 3.47Å; K197-D199 WeakPolarHBondContact CB-OD1 3.43Å; K197-D199 WeakPolarHBondContact CB-OD2 3.18Å; K197-D199 PolarHBondContact O-N 3.45Å; K197-E294 WeakPolarHBondContact CE-OE1 3.45Å; K197-E294 IonicContact NZ-OE1 2.69Å; K197-E294 PolarHBondContact NZ-OE1 3.22Å
198	G	68.2	Low	87.9	Confident	12 Å²	12	26.2 Å²	26.2	12%	0.124	13%	0.131	C	C	.	.	S	Bend	trans	65.1	11	-173.6	0	0	0	0	0	113.3	S195 N196 I218	S195-G198 WeakPolarHBondContact O-CA 3.16Å; S195-G198 PolarHBondContact O-N 2.65Å; N196-G198 PolarHBondContact O-N 3.46Å; G198-I218 WeakPolarHBondContact O-CD1 3.34Å
199	D	73.4	Confident	88	Confident	63 Å²	63	25.6 Å²	25.6	34%	0.337	13%	0.128	S	C	.	.	S	Bend	trans	-87.2	-17.9	-174.5	57.1	-6.3	0	0	0	113.5	S195 K197 I218	S195-D199 WeakPolarHBondContact CB-OD1 3.44Å; S195-D199 PolarHBondContact OG-OD1 2.86Å; K197-D199 HydrophobicContact CB-CB 4.23Å; K197-D199 VanDerWaalsContact CB-CG 3.47Å; K197-D199 WeakPolarHBondContact CB-OD1 3.43Å; K197-D199 WeakPolarHBondContact CB-OD2 3.18Å; K197-D199 PolarHBondContact O-N 3.45Å; D199-I218 PolarHBondContact O-N 2.78Å
200	F	80.7	Confident	88	Confident	24 Å²	24	29.3 Å²	29.3	11%	0.105	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	131.9	179.8	-177.3	-117	0	0	0	110.8	Y173 H193 S195 F202 L216 R217	Y173-F200 HydrophobicContact CD1-CE1 4.39Å; Y173-F200 HydrophobicContact CD1-CZ 4.47Å; Y173-F200 AromaticContact CE1-CE1 3.73Å; Y173-F200 HydrophobicContact CE1-CE1 3.73Å; Y173-F200 AromaticContact CE1-CZ 3.49Å; Y173-F200 HydrophobicContact CE1-CZ 3.49Å; Y173-F200 VanDerWaalsContact CE1-CZ 3.49Å; Y173-F200 AromaticContact CZ-CZ 3.82Å; H193-F200 AromaticContact CD2-CD1 3.92Å; H193-F200 AromaticContact NE2-CD1 3.71Å; S195-F200 VanDerWaalsContact CB-O 3.29Å; S195-F200 WeakPolarHBondContact CB-O 3.19Å; S195-F200 PolarHBondContact N-O 2.85Å; F200-F202 HydrophobicContact CD1-CD1 4.48Å; F200-F202 AromaticContact CE1-CD1 3.62Å; F200-F202 HydrophobicContact CE1-CD1 3.62Å; F200-F202 HydrophobicContact CE1-CE1 4.23Å; F200-F202 HydrophobicContact CZ-CD1 4.02Å; F200-L216 WeakPolarHBondContact CA-O 3.31Å; F200-L216 WeakPolarHBondContact CD2-O 3.38Å; F200-R217 HydrophobicContact CD2-CG 3.67Å; F200-R217 HydrophobicContact CE2-CG 4.02Å
201	K	87.5	Confident	88	Confident	40 Å²	40	29.3 Å²	29.3	17%	0.174	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	150.4	174.7	-53.7	-169.1	-175.6	-152.9	0	109.8	H193 E194 S215 L216 F315 V316	H193-K201 WeakPolarHBondContact O-CA 3.16Å; H193-K201 WeakPolarHBondContact O-CB 3.43Å; E194-K201 HydrophobicContact CB-CG 4.45Å; E194-K201 HydrophobicContact CG-CD 4.31Å; E194-K201 HydrophobicContact CG-CG 4.28Å; E194-K201 VanDerWaalsContact OE1-CE 3.26Å; E194-K201 WeakPolarHBondContact OE1-CE 3.4Å; E194-K201 IonicContact OE1-NZ 3.44Å; E194-K201 PolarHBondContact OE1-NZ 2.86Å; E194-K201 IonicContact OE2-NZ 2.75Å; E194-K201 PolarHBondContact OE2-NZ 2.81Å; K201-S215 CarbonylContact O-C 3.43Å; K201-S215 WeakPolarHBondContact O-CA 3.37Å; K201-L216 HydrophobicContact CB-CB 4.39Å; K201-L216 PolarHBondContact N-O 3.5Å; K201-L216 PolarHBondContact O-N 3.06Å; K201-F315 HydrophobicContact CD-CE2 4.34Å; K201-V316 HydrophobicContact CB-CG2 3.95Å
202	F	92.7	Very high	88	Confident	5 Å²	5	29.3 Å²	29.3	2%	0.022	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	154.4	167.3	66.9	-105.5	0	0	0	112.6	Y173 V175 V191 H193 F200 Y213 R214 F250 V298 F315	Y173-F202 HydrophobicContact CD2-CE1 4.02Å; Y173-F202 HydrophobicContact CD2-CZ 4.34Å; Y173-F202 HydrophobicContact CE1-CD1 4.45Å; Y173-F202 AromaticContact CE2-CD1 3.62Å; Y173-F202 HydrophobicContact CE2-CD1 3.62Å; Y173-F202 HydrophobicContact CE2-CD2 4.49Å; Y173-F202 AromaticContact CE2-CE1 3.36Å; Y173-F202 HydrophobicContact CE2-CE1 3.36Å; Y173-F202 HydrophobicContact CE2-CE2 4.29Å; Y173-F202 HydrophobicContact CE2-CG 4.19Å; Y173-F202 AromaticContact CE2-CZ 3.74Å; Y173-F202 HydrophobicContact CE2-CZ 3.74Å; Y173-F202 AromaticContact CZ-CD1 3.51Å; Y173-F202 AromaticContact CZ-CE1 3.73Å; Y173-F202 WeakPolarHBondContact OH-CB 3.39Å; Y173-F202 WeakPolarHBondContact OH-CD1 3.32Å; Y173-F202 VanDerWaalsContact OH-CG 3.29Å; Y173-F202 WeakPolarHBondContact OH-CG 3.37Å; V175-F202 HydrophobicContact CG2-CZ 4.49Å; V191-F202 HydrophobicContact CG1-CE2 3.85Å; H193-F202 HydrophobicContact CB-CD1 3.57Å; H193-F202 HydrophobicContact CB-CD2 3.79Å; H193-F202 HydrophobicContact CB-CE1 3.29Å; H193-F202 HydrophobicContact CB-CE2 3.51Å; H193-F202 HydrophobicContact CB-CG 3.81Å; H193-F202 HydrophobicContact CB-CZ 3.26Å; H193-F202 AromaticContact CD2-CD1 3.22Å; H193-F202 WeakPolarHBondContact CD2-CD1 3.22Å; H193-F202 AromaticContact CD2-CE1 3.19Å; H193-F202 WeakPolarHBondContact CD2-CE1 3.34Å; H193-F202 AromaticContact CG-CD1 3.58Å; H193-F202 AromaticContact CG-CE1 3.2Å; H193-F202 AromaticContact CG-CZ 3.64Å; H193-F202 PolarHBondContact N-O 3.42Å; H193-F202 PolarHBondContact O-N 2.84Å; H193-F202 VanDerWaalsContact O-N 3.12Å; F200-F202 HydrophobicContact CD1-CD1 4.48Å; F200-F202 AromaticContact CE1-CD1 3.62Å; F200-F202 HydrophobicContact CE1-CD1 3.62Å; F200-F202 HydrophobicContact CE1-CE1 4.23Å; F200-F202 HydrophobicContact CZ-CD1 4.02Å; F202-Y213 HydrophobicContact CB-CE2 3.94Å; F202-Y213 HydrophobicContact CG-CE2 4.44Å; F202-R214 CarbonylContact C-O 3.52Å; F202-R214 WeakPolarHBondContact CA-O 3.49Å; F202-R214 WeakPolarHBondContact CB-O 3.49Å; F202-F250 AromaticContact CD2-CE2 3.79Å; F202-F250 HydrophobicContact CD2-CE2 3.79Å; F202-F250 HydrophobicContact CD2-CZ 4.44Å; F202-F250 AromaticContact CE2-CE2 3.68Å; F202-F250 HydrophobicContact CE2-CE2 3.68Å; F202-F250 HydrophobicContact CE2-CZ 4.02Å; F202-F250 HydrophobicContact CZ-CE2 4.5Å; F202-V298 HydrophobicContact CE2-CG2 4.36Å; F202-V298 HydrophobicContact CZ-CG2 4.29Å; F202-F315 WeakPolarHBondContact O-CE1 3.38Å
203	S	95.5	Very high	88.1	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	142.9	175	63.6	0	0	0	0	111.8	V191 Y213 R214	V191-S203 CarbonylContact O-C 3.58Å; V191-S203 WeakPolarHBondContact O-CA 3.48Å; S203-Y213 WeakPolarHBondContact O-CA 2.86Å; S203-R214 PolarHBondContact N-O 2.82Å; S203-R214 PolarHBondContact O-N 2.94Å
204	L	97.8	Very high	88.2	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	133.7	162.4	-169.6	74	0	0	0	108	L190 V191 V211 V212 I248 F250 L260	L190-L204 WeakPolarHBondContact CA-O 3.32Å; L190-L204 WeakPolarHBondContact CB-O 3.45Å; L190-L204 HydrophobicContact CD2-CD2 3.71Å; L190-L204 HydrophobicContact CD2-CG 4.4Å; L190-L204 HydrophobicContact CG-CD2 4.29Å; L190-L204 PolarHBondContact N-O 2.77Å; V191-L204 HydrophobicContact CB-CB 3.75Å; V191-L204 HydrophobicContact CG2-CB 3.91Å; V191-L204 HydrophobicContact CG2-CD2 4.12Å; V191-L204 PolarHBondContact N-O 2.8Å; V191-L204 PolarHBondContact O-N 2.71Å; L204-V211 HydrophobicContact CD1-CG1 3.55Å; L204-V211 HydrophobicContact CD2-CG1 4.44Å; L204-V211 HydrophobicContact CG-CG1 4.07Å; L204-V212 CarbonylContact C-O 3.59Å; L204-V212 WeakPolarHBondContact CA-O 3.31Å; L204-I248 HydrophobicContact CD2-CG2 3.95Å; L204-F250 HydrophobicContact CB-CE1 4.26Å; L204-F250 HydrophobicContact CB-CZ 4.23Å; L204-F250 HydrophobicContact CD1-CD1 4.1Å; L204-F250 HydrophobicContact CD1-CE1 4.46Å; L204-F250 HydrophobicContact CD1-CG 4.26Å; L204-F250 HydrophobicContact CD2-CD1 3.89Å; L204-F250 HydrophobicContact CD2-CE1 3.69Å; L204-F250 HydrophobicContact CD2-CZ 4.46Å; L204-F250 HydrophobicContact CG-CD1 4.46Å; L204-F250 HydrophobicContact CG-CE1 4.37Å; L204-L260 HydrophobicContact CD1-CD1 3.9Å
205	S	97.4	Very high	88.6	Confident	0 Å²	0	28 Å²	28	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	157.6	-177.2	54.1	0	0	0	0	111.8	Y188 E207 V211 V212 R214	Y188-S205 CarbonylContact O-C 3.42Å; Y188-S205 WeakPolarHBondContact O-CA 3.35Å; Y188-S205 VanDerWaalsContact O-CB 3.31Å; Y188-S205 WeakPolarHBondContact O-CB 3.05Å; S205-E207 PolarHBondContact OG-OE1 3.09Å; S205-V211 WeakPolarHBondContact O-CA 3.46Å; S205-V212 PolarHBondContact N-O 3.01Å; S205-V212 PolarHBondContact O-N 2.88Å; S205-V212 PolarHBondContact OG-O 3.27Å; S205-R214 PolarHBondContact OG-NH1 2.9Å
206	I	97.2	Very high	89.1	Confident	0 Å²	0	28 Å²	28	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	117	169.9	-56.8	174.7	0	0	0	106.8	I179 P181 S187 Y188 Y210 L240 Y324	I179-I206 HydrophobicContact CD1-CD1 3.95Å; P181-I206 HydrophobicContact CB-CD1 4.14Å; S187-I206 CarbonylContact C-O 3.55Å; S187-I206 WeakPolarHBondContact CA-O 3.34Å; Y188-I206 PolarHBondContact N-O 3.25Å; Y188-I206 PolarHBondContact O-N 2.78Å; I206-Y210 CarbonylContact C-O 3.55Å; I206-Y210 WeakPolarHBondContact CA-O 3.47Å; I206-L240 HydrophobicContact CD1-CD1 4.04Å; I206-L240 HydrophobicContact CG1-CD1 4.26Å; I206-Y324 HydrophobicContact CD1-CD2 3.88Å; I206-Y324 HydrophobicContact CD1-CE2 4.01Å
207	E	96.3	Very high	89.8	Confident	35 Å²	35	27 Å²	27	16%	0.164	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	108.9	-176.4	-66	-177.7	-175.8	0	0	110.6	G186 S205 G209 Y210 V212 R214	G186-E207 CarbonylContact O-C 3.58Å; G186-E207 WeakPolarHBondContact O-CA 3.32Å; S205-E207 PolarHBondContact OG-OE1 3.09Å; E207-G209 PolarHBondContact O-N 3.31Å; E207-Y210 PolarHBondContact N-O 2.96Å; E207-Y210 PolarHBondContact O-N 3.07Å; E207-V212 HydrophobicContact CB-CG2 4.12Å; E207-V212 HydrophobicContact CG-CG2 4.18Å; E207-R214 VanDerWaalsContact CD-NH2 3.31Å; E207-R214 IonicContact OE1-CZ 3.62Å; E207-R214 IonicContact OE1-NH1 3.2Å; E207-R214 PolarHBondContact OE1-NH1 3.13Å; E207-R214 IonicContact OE1-NH2 2.81Å; E207-R214 PolarHBondContact OE1-NH2 2Å; E207-R214 IonicContact OE2-NH2 3.65Å; E207-R214 PolarHBondContact OE2-NH2 2.83Å; E207-R214 VanDerWaalsContact OE2-NH2 3.09Å
208	N	95.8	Very high	90.2	Very high	95 Å²	95	21.9 Å²	21.9	51%	0.508	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.8	47.7	-177.6	-56.6	-43.4	0	0	0	111.5	G186 Y210 F239	G186-N208 PolarHBondContact O-N 2.81Å; N208-Y210 VanDerWaalsContact C-N 3.33Å; N208-Y210 VanDerWaalsContact O-CD2 3.24Å; N208-Y210 WeakPolarHBondContact O-CD2 3.3Å; N208-Y210 PolarHBondContact O-N 3.08Å; N208-F239 WeakPolarHBondContact O-CE2 3.44Å
209	G	96.3	Very high	90.3	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.3	-6.2	-178.5	0	0	0	0	0	116.1	T184 E207 L240	T184-G209 PolarHBondContact O-N 3.07Å; E207-G209 PolarHBondContact O-N 3.31Å; G209-L240 WeakPolarHBondContact O-CB 3.32Å; G209-L240 WeakPolarHBondContact O-CG 3.34Å; G209-L240 PolarHBondContact O-N 3.47Å
210	Y	97.6	Very high	89.8	Confident	78 Å²	78	28.5 Å²	28.5	31%	0.306	13%	0.134	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	143.1	-178.9	-63.4	-81.6	0	0	0	112.4	I206 E207 N208 K235 H236 F237 F239	I206-Y210 CarbonylContact C-O 3.55Å; I206-Y210 WeakPolarHBondContact CA-O 3.47Å; E207-Y210 PolarHBondContact N-O 2.96Å; E207-Y210 PolarHBondContact O-N 3.07Å; N208-Y210 VanDerWaalsContact C-N 3.33Å; N208-Y210 VanDerWaalsContact O-CD2 3.24Å; N208-Y210 WeakPolarHBondContact O-CD2 3.3Å; N208-Y210 PolarHBondContact O-N 3.08Å; Y210-K235 VanDerWaalsContact CG-CE 3.5Å; Y210-H236 WeakPolarHBondContact CD1-O 3.44Å; Y210-F237 VanDerWaalsContact CE1-O 3.28Å; Y210-F237 WeakPolarHBondContact CE1-O 3.24Å; Y210-F239 HydrophobicContact CD2-CD2 4.49Å; Y210-F239 HydrophobicContact CE1-CB 4.28Å; Y210-F239 HydrophobicContact CE1-CD2 4.32Å; Y210-F239 AromaticContact CE2-CD2 3.98Å; Y210-F239 HydrophobicContact CE2-CD2 3.98Å; Y210-F239 AromaticContact CZ-CD2 3.89Å
211	V	98	Very high	88.7	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	127.5	175.4	-171.1	0	0	0	0	109.8	L204 S205 H236 L240 I248 L260 V262	L204-V211 HydrophobicContact CD1-CG1 3.55Å; L204-V211 HydrophobicContact CD2-CG1 4.44Å; L204-V211 HydrophobicContact CG-CG1 4.07Å; S205-V211 WeakPolarHBondContact O-CA 3.46Å; V211-H236 HydrophobicContact CB-CB 4.41Å; V211-H236 PolarHBondContact O-N 2.65Å; V211-L240 HydrophobicContact CG2-CD1 3.52Å; V211-L240 HydrophobicContact CG2-CD2 4.11Å; V211-L240 HydrophobicContact CG2-CG 3.9Å; V211-I248 HydrophobicContact CG1-CD1 4.26Å; V211-I248 HydrophobicContact CG1-CG2 4.49Å; V211-I248 HydrophobicContact CG2-CD1 4Å; V211-L260 HydrophobicContact CB-CD2 4.13Å; V211-L260 HydrophobicContact CG1-CD1 3.93Å; V211-L260 HydrophobicContact CG1-CD2 3.86Å; V211-L260 HydrophobicContact CG1-CG 4.47Å; V211-L260 WeakPolarHBondContact O-CD2 3.36Å; V211-V262 HydrophobicContact CB-CG2 4.26Å; V211-V262 HydrophobicContact CG2-CG2 4.01Å
212	V	96.6	Very high	87.4	Confident	1 Å²	1	35.6 Å²	35.6	1%	0.006	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	120	178.9	-168.4	0	0	0	0	109.9	L204 S205 E207 R214 E233 V234 K235	L204-V212 CarbonylContact C-O 3.59Å; L204-V212 WeakPolarHBondContact CA-O 3.31Å; S205-V212 PolarHBondContact N-O 3.01Å; S205-V212 PolarHBondContact O-N 2.88Å; S205-V212 PolarHBondContact OG-O 3.27Å; E207-V212 HydrophobicContact CB-CG2 4.12Å; E207-V212 HydrophobicContact CG-CG2 4.18Å; V212-R214 HydrophobicContact CG1-CG 4.19Å; V212-E233 HydrophobicContact CG1-CG 3.83Å; V212-V234 WeakPolarHBondContact CA-O 3.01Å; V212-K235 HydrophobicContact CG1-CB 4.48Å; V212-K235 HydrophobicContact CG2-CB 4.26Å; V212-K235 HydrophobicContact CG2-CD 4.19Å; V212-K235 HydrophobicContact CG2-CG 4Å
213	Y	96.7	Very high	85.8	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	131.7	174	166.2	-132.1	0	0	0	109.4	Y173 F202 S203 E233 V234 F250 G251 S258 F259	Y173-Y213 WeakPolarHBondContact OH-CE2 3.32Å; Y173-Y213 PolarHBondContact OH-OH 2.97Å; F202-Y213 HydrophobicContact CB-CE2 3.94Å; F202-Y213 HydrophobicContact CG-CE2 4.44Å; S203-Y213 WeakPolarHBondContact O-CA 2.86Å; Y213-E233 WeakPolarHBondContact O-CA 3.44Å; Y213-V234 HydrophobicContact CD1-CB 4.34Å; Y213-V234 HydrophobicContact CD1-CG2 3.88Å; Y213-V234 HydrophobicContact CE1-CG2 4.47Å; Y213-V234 PolarHBondContact N-O 2.86Å; Y213-V234 PolarHBondContact O-N 2.74Å; Y213-F250 HydrophobicContact CD1-CB 4.19Å; Y213-F250 AromaticContact CD2-CD2 3.55Å; Y213-F250 HydrophobicContact CD2-CD2 3.55Å; Y213-F250 HydrophobicContact CD2-CE2 4.13Å; Y213-F250 HydrophobicContact CD2-CG 4.31Å; Y213-F250 AromaticContact CE2-CD2 3.62Å; Y213-F250 HydrophobicContact CE2-CD2 3.62Å; Y213-F250 HydrophobicContact CE2-CE2 4.12Å; Y213-F250 HydrophobicContact CG-CB 4.18Å; Y213-F250 HydrophobicContact CG-CD2 4.07Å; Y213-F250 HydrophobicContact CG-CG 4.44Å; Y213-G251 WeakPolarHBondContact CE1-O 3.39Å; Y213-G251 PolarHBondContact OH-O 3.26Å; Y213-S258 PolarHBondContact OH-OG 2.94Å; Y213-F259 VanDerWaalsContact CD1-O 3.29Å; Y213-F259 WeakPolarHBondContact CD1-O 3.35Å; Y213-F259 WeakPolarHBondContact CE1-O 3.38Å
214	R	93.8	Very high	83.7	Confident	4 Å²	4	51.4 Å²	51.4	2%	0.015	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	137.7	177.9	-56.4	-178.1	176.3	99.2	-2.4	110.6	F202 S203 S205 E207 V212 Q232 E233 V316 Y318	F202-R214 CarbonylContact C-O 3.52Å; F202-R214 WeakPolarHBondContact CA-O 3.49Å; F202-R214 WeakPolarHBondContact CB-O 3.49Å; S203-R214 PolarHBondContact N-O 2.82Å; S203-R214 PolarHBondContact O-N 2.94Å; S205-R214 PolarHBondContact OG-NH1 2.9Å; E207-R214 VanDerWaalsContact CD-NH2 3.31Å; E207-R214 IonicContact OE1-CZ 3.62Å; E207-R214 IonicContact OE1-NH1 3.2Å; E207-R214 PolarHBondContact OE1-NH1 3.13Å; E207-R214 IonicContact OE1-NH2 2.81Å; E207-R214 PolarHBondContact OE1-NH2 2Å; E207-R214 IonicContact OE2-NH2 3.65Å; E207-R214 PolarHBondContact OE2-NH2 2.83Å; E207-R214 VanDerWaalsContact OE2-NH2 3.09Å; V212-R214 HydrophobicContact CG1-CG 4.19Å; R214-Q232 CarbonylContact C-O 3.54Å; R214-Q232 VanDerWaalsContact CA-O 3.28Å; R214-Q232 WeakPolarHBondContact CA-O 3.42Å; R214-E233 HydrophobicContact CG-CB 4.35Å; R214-E233 HydrophobicContact CG-CG 4.01Å; R214-E233 IonicContact CZ-OE2 3.54Å; R214-E233 IonicContact NE-OE2 3.48Å; R214-E233 PolarHBondContact NE-OE2 3.46Å; R214-E233 IonicContact NH2-OE2 3.09Å; R214-E233 PolarHBondContact NH2-OE2 3.3Å; R214-V316 HydrophobicContact CB-CG1 3.57Å; R214-Y318 VanDerWaalsContact CD-CD2 3.43Å; R214-Y318 VanDerWaalsContact NE-CE2 3.32Å; R214-Y318 VanDerWaalsContact NE-CZ 3.32Å
215	S	90.5	Very high	81.7	Confident	2 Å²	2	56.4 Å²	56.4	1%	0.014	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	139.6	172.2	60.9	0	0	0	0	110.1	K201 I231 Q232 S258	K201-S215 CarbonylContact O-C 3.43Å; K201-S215 WeakPolarHBondContact O-CA 3.37Å; S215-I231 CarbonylContact O-C 3.47Å; S215-I231 WeakPolarHBondContact O-CA 3.35Å; S215-Q232 PolarHBondContact N-O 3.1Å; S215-Q232 PolarHBondContact O-N 3.41Å; S215-S258 PolarHBondContact OG-OG 3.01Å
216	L	86.5	Confident	79.9	Confident	10 Å²	10	61.7 Å²	61.7	5%	0.052	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	120.4	177.5	167.2	65	0	0	0	108.6	F200 K201 I218 E229 E230 I231 V316	F200-L216 WeakPolarHBondContact CA-O 3.31Å; F200-L216 WeakPolarHBondContact CD2-O 3.38Å; K201-L216 HydrophobicContact CB-CB 4.39Å; K201-L216 PolarHBondContact N-O 3.5Å; K201-L216 PolarHBondContact O-N 3.06Å; L216-I218 HydrophobicContact CD1-CG1 4.28Å; L216-I218 HydrophobicContact CD2-CD1 4.2Å; L216-I218 HydrophobicContact CD2-CG1 4.3Å; L216-I218 HydrophobicContact CG-CD1 4.48Å; L216-I218 HydrophobicContact CG-CG1 4.03Å; L216-E229 HydrophobicContact CD1-CB 3.74Å; L216-E229 HydrophobicContact CD1-CG 4.1Å; L216-E230 CarbonylContact C-O 3.44Å; L216-E230 VanDerWaalsContact CA-O 3.32Å; L216-E230 WeakPolarHBondContact CA-O 3.35Å; L216-I231 HydrophobicContact CB-CG1 4.33Å; L216-I231 HydrophobicContact CD1-CG1 3.72Å; L216-V316 HydrophobicContact CB-CG1 3.98Å
217	R	81.8	Confident	78.4	Confident	64 Å²	64	66.6 Å²	66.6	24%	0.242	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	129.1	170	-72.6	176	178.9	-164.7	-4.3	109.8	F200 E229 E230 E252	F200-R217 HydrophobicContact CD2-CG 3.67Å; F200-R217 HydrophobicContact CE2-CG 4.02Å; R217-E229 WeakPolarHBondContact O-CA 3.47Å; R217-E230 PolarHBondContact N-O 3.26Å; R217-E230 PolarHBondContact O-N 3.37Å; R217-E252 IonicContact CZ-OE1 2.74Å; R217-E252 IonicContact CZ-OE2 3.24Å; R217-E252 IonicContact NE-OE1 3.86Å; R217-E252 PolarHBondContact NE-OE1 2.84Å; R217-E252 IonicContact NE-OE2 3.83Å; R217-E252 IonicContact NH2-OE1 3.5Å; R217-E252 PolarHBondContact NH2-OE1 2.91Å; R217-E252 VanDerWaalsContact NH2-OE1 3.14Å; R217-E252 IonicContact NH2-OE2 3.6Å; R217-E252 PolarHBondContact NH2-OE2 3.05Å
218	I	74.5	Confident	77.1	Confident	26 Å²	26	68.6 Å²	68.6	13%	0.133	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	100.3	177.5	-46.1	-170	0	0	0	107.7	G198 D199 L216 R227 K228 E229	G198-I218 WeakPolarHBondContact O-CD1 3.34Å; D199-I218 PolarHBondContact O-N 2.78Å; L216-I218 HydrophobicContact CD1-CG1 4.28Å; L216-I218 HydrophobicContact CD2-CD1 4.2Å; L216-I218 HydrophobicContact CD2-CG1 4.3Å; L216-I218 HydrophobicContact CG-CD1 4.48Å; L216-I218 HydrophobicContact CG-CG1 4.03Å; I218-R227 HydrophobicContact CG2-CB 3.85Å; I218-R227 HydrophobicContact CG2-CG 4.24Å; I218-K228 WeakPolarHBondContact CA-O 3.46Å; I218-E229 HydrophobicContact CD1-CG 4.5Å; I218-E229 HydrophobicContact CG1-CG 4.24Å; I218-E229 HydrophobicContact CG2-CG 4.44Å
219	S	70.8	Confident	76.3	Confident	52 Å²	52	66.4 Å²	66.4	36%	0.364	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	137	178.4	53.5	0	0	0	0	111.1	K228	S219-K228 PolarHBondContact N-O 3.35Å; S219-K228 PolarHBondContact O-N 3.27Å; S219-K228 VanDerWaalsContact O-N 3.11Å
220	K	62.5	Low	75.6	Confident	163 Å²	163	68.5 Å²	68.5	71%	0.709	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.6	132.7	165.2	-68.4	-174.2	-179.7	-176.6	0	108.2
221	T	57.3	Low	75.1	Confident	46 Å²	46	65 Å²	65	28%	0.282	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-95.9	164	171	72	0	0	0	0	110	Y223 Y226 K228	T221-Y223 PolarHBondContact O-N 3.5Å; T221-Y223 PolarHBondContact OG1-N 3.13Å; T221-Y223 PolarHBondContact OG1-O 3.09Å; T221-Y226 PolarHBondContact OG1-O 3.23Å; T221-K228 HydrophobicContact CG2-CB 4.24Å
222	N	60.8	Low	74.8	Confident	167 Å²	167	65.7 Å²	65.7	89%	0.893	31%	0.31	S	S	*	.	S	Bend	trans	-64.3	-7.4	174.4	-70.4	-9.9	0	0	0	113.5
223	Y	58	Low	74.7	Confident	178 Å²	178	67.9 Å²	67.9	70%	0.698	32%	0.321	S	S	*	.	S	Bend	trans	-108.8	94.3	177.4	-62.5	-83.2	0	0	0	108.3	T221 Y226	T221-Y223 PolarHBondContact O-N 3.5Å; T221-Y223 PolarHBondContact OG1-N 3.13Å; T221-Y223 PolarHBondContact OG1-O 3.09Å; Y223-Y226 WeakPolarHBondContact O-CB 3.36Å; Y223-Y226 WeakPolarHBondContact O-CD2 3.29Å; Y223-Y226 PolarHBondContact O-N 2.78Å
224	E	51.9	Low	74.6	Confident	158 Å²	158	68.1 Å²	68.1	74%	0.738	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	141.3	165.5	-80.3	-169.5	160.8	0	0	109.9
225	P	56.4	Low	74.7	Confident	106 Å²	106	72.9 Å²	72.9	69%	0.688	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	cis	-98.3	19.8	6	37.4	-31.9	0	0	0	114.4
226	Y	59.8	Low	75	Confident	111 Å²	111	72.8 Å²	72.8	44%	0.435	34%	0.342	S	S	.	.			trans	-75.4	127.5	-170.1	-56.3	-80	0	0	0	113.1	T221 Y223 W277	T221-Y226 PolarHBondContact OG1-O 3.23Å; Y223-Y226 WeakPolarHBondContact O-CB 3.36Å; Y223-Y226 WeakPolarHBondContact O-CD2 3.29Å; Y223-Y226 PolarHBondContact O-N 2.78Å; Y226-W277 HydrophobicContact CD1-CB 4.42Å; Y226-W277 HydrophobicContact CD1-CD2 4.42Å; Y226-W277 HydrophobicContact CD1-CG 4.14Å
227	R	65.5	Low	75.4	Confident	103 Å²	103	77.9 Å²	77.9	39%	0.389	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	145.9	171.4	-55.9	-171.7	-148.2	-171.5	8.7	110.2	I218	I218-R227 HydrophobicContact CG2-CB 3.85Å; I218-R227 HydrophobicContact CG2-CG 4.24Å
228	K	68.8	Low	76.1	Confident	77 Å²	77	76 Å²	76	34%	0.335	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	123.9	171.4	-174.6	-171.3	-174.3	-165.7	0	108.9	I218 S219 T221 E230 V274	I218-K228 WeakPolarHBondContact CA-O 3.46Å; S219-K228 PolarHBondContact N-O 3.35Å; S219-K228 PolarHBondContact O-N 3.27Å; S219-K228 VanDerWaalsContact O-N 3.11Å; T221-K228 HydrophobicContact CG2-CB 4.24Å; K228-E230 HydrophobicContact CD-CG 4.28Å; K228-E230 WeakPolarHBondContact CE-OE1 3.32Å; K228-E230 HydrophobicContact CG-CG 4.32Å; K228-E230 IonicContact NZ-OE1 3.59Å; K228-E230 PolarHBondContact NZ-OE1 3.39Å; K228-V274 HydrophobicContact CG-CG1 4.38Å
229	E	79.6	Confident	77.2	Confident	48 Å²	48	79.6 Å²	79.6	22%	0.224	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	119.3	175.8	-69.8	-172	-178.4	0	0	110	L216 R217 I218 I275	L216-E229 HydrophobicContact CD1-CB 3.74Å; L216-E229 HydrophobicContact CD1-CG 4.1Å; R217-E229 WeakPolarHBondContact O-CA 3.47Å; I218-E229 HydrophobicContact CD1-CG 4.5Å; I218-E229 HydrophobicContact CG1-CG 4.24Å; I218-E229 HydrophobicContact CG2-CG 4.44Å; E229-I275 HydrophobicContact CB-CB 4.3Å; E229-I275 PolarHBondContact O-N 2.96Å; E229-I275 VanDerWaalsContact O-N 3.07Å
230	E	81.4	Confident	78.5	Confident	44 Å²	44	77.1 Å²	77.1	21%	0.206	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	115.7	177.1	-65.6	-178.6	174.9	0	0	109.3	L216 R217 K228	L216-E230 CarbonylContact C-O 3.44Å; L216-E230 VanDerWaalsContact CA-O 3.32Å; L216-E230 WeakPolarHBondContact CA-O 3.35Å; R217-E230 PolarHBondContact N-O 3.26Å; R217-E230 PolarHBondContact O-N 3.37Å; K228-E230 HydrophobicContact CD-CG 4.28Å; K228-E230 WeakPolarHBondContact CE-OE1 3.32Å; K228-E230 HydrophobicContact CG-CG 4.32Å; K228-E230 IonicContact NZ-OE1 3.59Å; K228-E230 PolarHBondContact NZ-OE1 3.39Å
231	I	87.3	Confident	80.1	Confident	4 Å²	4	72.6 Å²	72.6	2%	0.021	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	122.2	174.7	-59.1	173.8	0	0	0	109.1	S215 L216 M272 K273 I275	S215-I231 CarbonylContact O-C 3.47Å; S215-I231 WeakPolarHBondContact O-CA 3.35Å; L216-I231 HydrophobicContact CB-CG1 4.33Å; L216-I231 HydrophobicContact CD1-CG1 3.72Å; I231-M272 CarbonylContact O-C 3.37Å; I231-M272 WeakPolarHBondContact O-CA 3.21Å; I231-K273 HydrophobicContact CB-CB 4.35Å; I231-K273 PolarHBondContact N-O 2.76Å; I231-K273 PolarHBondContact O-N 3.34Å; I231-I275 HydrophobicContact CD1-CD1 3.56Å; I231-I275 HydrophobicContact CD1-CG1 4.36Å; I231-I275 HydrophobicContact CG1-CD1 4.44Å
232	Q	91.2	Very high	82	Confident	16 Å²	16	73.4 Å²	73.4	8%	0.075	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	138.8	164.4	-57.7	-175.4	32	0	0	109.2	R214 S215 G256 S258 A269 M272	R214-Q232 CarbonylContact C-O 3.54Å; R214-Q232 VanDerWaalsContact CA-O 3.28Å; R214-Q232 WeakPolarHBondContact CA-O 3.42Å; S215-Q232 PolarHBondContact N-O 3.1Å; S215-Q232 PolarHBondContact O-N 3.41Å; Q232-G256 PolarHBondContact NE2-O 3.29Å; Q232-S258 PolarHBondContact OE1-OG 2.72Å; Q232-A269 HydrophobicContact CB-CB 4.32Å; Q232-M272 HydrophobicContact CG-CE 4.43Å
233	E	93.6	Very high	83.6	Confident	47 Å²	47	69.9 Å²	69.9	22%	0.22	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	135.1	177.2	-176.8	173.9	116.1	0	0	110.5	V212 Y213 R214 Y271 Y318	V212-E233 HydrophobicContact CG1-CG 3.83Å; Y213-E233 WeakPolarHBondContact O-CA 3.44Å; R214-E233 HydrophobicContact CG-CB 4.35Å; R214-E233 HydrophobicContact CG-CG 4.01Å; R214-E233 IonicContact CZ-OE2 3.54Å; R214-E233 IonicContact NE-OE2 3.48Å; R214-E233 PolarHBondContact NE-OE2 3.46Å; R214-E233 IonicContact NH2-OE2 3.09Å; R214-E233 PolarHBondContact NH2-OE2 3.3Å; E233-Y271 PolarHBondContact N-O 3.32Å; E233-Y318 PolarHBondContact OE2-OH 2.92Å
234	V	94.8	Very high	85.5	Confident	5 Å²	5	66 Å²	66	3%	0.03	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	116.3	172.7	-159.5	0	0	0	0	107.9	V212 Y213 L260 E267 A269	V212-V234 WeakPolarHBondContact CA-O 3.01Å; Y213-V234 HydrophobicContact CD1-CB 4.34Å; Y213-V234 HydrophobicContact CD1-CG2 3.88Å; Y213-V234 HydrophobicContact CE1-CG2 4.47Å; Y213-V234 PolarHBondContact N-O 2.86Å; Y213-V234 PolarHBondContact O-N 2.74Å; V234-L260 HydrophobicContact CB-CB 3.97Å; V234-L260 HydrophobicContact CG1-CB 3.77Å; V234-L260 WeakPolarHBondContact O-CD2 3.22Å; V234-E267 HydrophobicContact CG1-CB 3.82Å; V234-A269 HydrophobicContact CG2-CB 3.72Å
235	K	95.5	Very high	87.7	Confident	104 Å²	104	62 Å²	62	45%	0.452	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	121.1	172.3	176.4	169.4	-175.6	174.9	0	108.7	Y210 V212	Y210-K235 VanDerWaalsContact CG-CE 3.5Å; V212-K235 HydrophobicContact CG1-CB 4.48Å; V212-K235 HydrophobicContact CG2-CB 4.26Å; V212-K235 HydrophobicContact CG2-CD 4.19Å; V212-K235 HydrophobicContact CG2-CG 4Å
236	H	97.2	Very high	89.6	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	143.2	176	-156.2	-89.1	0	0	0	110.5	Y210 V211 T238 L260 V262 I265	Y210-H236 WeakPolarHBondContact CD1-O 3.44Å; V211-H236 HydrophobicContact CB-CB 4.41Å; V211-H236 PolarHBondContact O-N 2.65Å; H236-T238 PolarHBondContact CE1-OG1 3.2Å; H236-T238 VanDerWaalsContact ND1-CB 3.34Å; H236-T238 WeakPolarHBondContact ND1-CB 3.12Å; H236-T238 PolarHBondContact ND1-N 3.19Å; H236-T238 VanDerWaalsContact ND1-N 3.18Å; H236-T238 PolarHBondContact ND1-OG1 3.39Å; H236-L260 HydrophobicContact CB-CD2 3.73Å; H236-L260 HydrophobicContact CB-CG 4.12Å; H236-V262 HydrophobicContact CB-CG2 3.94Å; H236-I265 PolarHBondContact NE2-O 2.85Å
237	F	95.6	Very high	91.5	Very high	116 Å²	116	55.9 Å²	55.9	51%	0.509	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	-15.3	-178.7	70.2	-92.6	0	0	0	114	Y210 F239 I265 E267	Y210-F237 VanDerWaalsContact CE1-O 3.28Å; Y210-F237 WeakPolarHBondContact CE1-O 3.24Å; F237-F239 PolarHBondContact O-N 3.24Å; F237-I265 HydrophobicContact CE1-CG2 3.64Å; F237-I265 HydrophobicContact CZ-CD1 4.08Å; F237-I265 HydrophobicContact CZ-CG2 3.72Å; F237-E267 HydrophobicContact CD1-CG 4.29Å; F237-E267 WeakPolarHBondContact CD1-OE1 3.17Å; F237-E267 WeakPolarHBondContact CE1-OE1 3.23Å
238	T	96.6	Very high	93	Very high	26 Å²	26	51 Å²	51	16%	0.16	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	126	175.2	-58.1	0	0	0	0	110.3	H236 L240 V262	H236-T238 PolarHBondContact CE1-OG1 3.2Å; H236-T238 VanDerWaalsContact ND1-CB 3.34Å; H236-T238 WeakPolarHBondContact ND1-CB 3.12Å; H236-T238 PolarHBondContact ND1-N 3.19Å; H236-T238 VanDerWaalsContact ND1-N 3.18Å; H236-T238 PolarHBondContact ND1-OG1 3.39Å; T238-L240 HydrophobicContact CG2-CD2 4.31Å; T238-V262 HydrophobicContact CG2-CG1 4Å
239	F	97.1	Very high	94.4	Very high	100 Å²	100	47.7 Å²	47.7	44%	0.439	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	125.3	173.1	-173.7	-91.2	0	0	0	110.2	N208 Y210 F237	N208-F239 WeakPolarHBondContact O-CE2 3.44Å; Y210-F239 HydrophobicContact CD2-CD2 4.49Å; Y210-F239 HydrophobicContact CE1-CB 4.28Å; Y210-F239 HydrophobicContact CE1-CD2 4.32Å; Y210-F239 AromaticContact CE2-CD2 3.98Å; Y210-F239 HydrophobicContact CE2-CD2 3.98Å; Y210-F239 AromaticContact CZ-CD2 3.89Å; F237-F239 PolarHBondContact O-N 3.24Å
240	L	97.9	Very high	95.2	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-88.1	126.3	179.6	-54.9	-165.4	0	0	0	111.1	I179 T184 I206 G209 V211 T238 Y246 V262	I179-L240 HydrophobicContact CD1-CD1 4.15Å; T184-L240 WeakPolarHBondContact CB-O 3.26Å; T184-L240 HydrophobicContact CG2-CB 4.08Å; T184-L240 WeakPolarHBondContact CG2-O 3.31Å; T184-L240 PolarHBondContact OG1-O 2.81Å; I206-L240 HydrophobicContact CD1-CD1 4.04Å; I206-L240 HydrophobicContact CG1-CD1 4.26Å; G209-L240 WeakPolarHBondContact O-CB 3.32Å; G209-L240 WeakPolarHBondContact O-CG 3.34Å; G209-L240 PolarHBondContact O-N 3.47Å; V211-L240 HydrophobicContact CG2-CD1 3.52Å; V211-L240 HydrophobicContact CG2-CD2 4.11Å; V211-L240 HydrophobicContact CG2-CG 3.9Å; T238-L240 HydrophobicContact CG2-CD2 4.31Å; L240-Y246 HydrophobicContact CB-CD2 4.44Å; L240-Y246 HydrophobicContact CB-CE2 3.96Å; L240-Y246 HydrophobicContact CD1-CD2 4.38Å; L240-Y246 HydrophobicContact CD2-CD1 3.56Å; L240-Y246 HydrophobicContact CD2-CD2 3.82Å; L240-Y246 HydrophobicContact CD2-CE1 3.64Å; L240-Y246 HydrophobicContact CD2-CE2 3.89Å; L240-Y246 HydrophobicContact CD2-CG 3.65Å; L240-Y246 HydrophobicContact CG-CD2 4.44Å; L240-Y246 HydrophobicContact CG-CE2 4.38Å; L240-V262 HydrophobicContact CD2-CG1 4.23Å
241	N	96.9	Very high	95.7	Very high	69 Å²	69	43.3 Å²	43.3	37%	0.369	20%	0.204	S	C	.	.	P	Polyproline II helix	trans	-89.2	148	168.8	-59.2	-53.2	0	0	0	110.1	Q244 Y246	N241-Q244 HydrophobicContact CB-CG 4.17Å; N241-Q244 PolarHBondContact ND2-OE1 2.92Å; N241-Y246 PolarHBondContact N-OH 3.07Å
242	S	96.4	Very high	95.6	Very high	62 Å²	62	43.4 Å²	43.4	43%	0.434	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	147.5	170.7	58.8	0	0	0	0	111.5	P181 Q244	P181-S242 CarbonylContact O-C 3.57Å; P181-S242 WeakPolarHBondContact O-CA 3.49Å; S242-Q244 PolarHBondContact O-N 2.83Å
243	E	95	Very high	95.1	Very high	94 Å²	94	44.2 Å²	44.2	44%	0.439	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.2	20.2	174.5	-57.5	-59.4	149.1	0	0	115.1	R180 P181 S182	R180-E243 VanDerWaalsContact CG-C 3.48Å; R180-E243 IonicContact CZ-OE2 2.79Å; R180-E243 IonicContact NE-OE2 3.43Å; R180-E243 PolarHBondContact NE-OE2 2.84Å; R180-E243 VanDerWaalsContact NE-OE2 3.09Å; R180-E243 IonicContact NH2-OE2 2.77Å; P181-E243 PolarHBondContact O-N 2.89Å; S182-E243 VanDerWaalsContact CA-OE1 3.3Å; S182-E243 WeakPolarHBondContact CA-OE1 3.32Å; S182-E243 WeakPolarHBondContact CB-OE1 2.91Å; S182-E243 PolarHBondContact OG-OE1 3.46Å
244	Q	96.9	Very high	94.2	Very high	96 Å²	96	47.1 Å²	47.1	45%	0.449	23%	0.231	S	C	.	.			trans	-112.4	146.2	172.3	-66.1	-172.3	-7.1	0	0	111.4	R180 P181 N241 S242 Y246	R180-Q244 WeakPolarHBondContact CA-O 3.44Å; P181-Q244 WeakPolarHBondContact CD-O 3.42Å; N241-Q244 HydrophobicContact CB-CG 4.17Å; N241-Q244 PolarHBondContact ND2-OE1 2.92Å; S242-Q244 PolarHBondContact O-N 2.83Å; Q244-Y246 HydrophobicContact CB-CE2 3.8Å; Q244-Y246 VanDerWaalsContact O-CD2 3.32Å; Q244-Y246 WeakPolarHBondContact O-CD2 3.27Å; Q244-Y246 WeakPolarHBondContact O-CE2 3.5Å; Q244-Y246 PolarHBondContact OE1-OH 3.08Å
245	W	97.5	Very high	93.3	Very high	75 Å²	75	53.6 Å²	53.6	28%	0.284	27%	0.265	S	S	.	.			trans	-81.9	137.7	177.7	-76.2	101.6	0	0	0	111.4	E178 I179 R180 C327 Q329 S380	E178-W245 HydrophobicContact CB-CE3 4.04Å; E178-W245 HydrophobicContact CB-CZ3 4.12Å; I179-W245 CarbonylContact O-C 3.44Å; I179-W245 WeakPolarHBondContact O-CA 3.49Å; R180-W245 HydrophobicContact CB-CD2 3.83Å; R180-W245 HydrophobicContact CB-CE3 3.92Å; R180-W245 HydrophobicContact CB-CG 4.38Å; R180-W245 HydrophobicContact CB-CH2 4.19Å; R180-W245 HydrophobicContact CB-CZ2 4.1Å; R180-W245 HydrophobicContact CB-CZ3 4.09Å; R180-W245 HydrophobicContact CG-CD2 4.46Å; W245-C327 HydrophobicContact CH2-CB 3.64Å; W245-C327 HydrophobicContact CZ2-CB 4.14Å; W245-C327 HydrophobicContact CZ3-CB 4.32Å; W245-Q329 HydrophobicContact CH2-CB 4.5Å; W245-Q329 HydrophobicContact CH2-CG 3.79Å; W245-Q329 HydrophobicContact CZ3-CG 3.63Å; W245-S380 PolarHBondContact NE1-OG 3.26Å
246	Y	98.3	Very high	92.5	Very high	14 Å²	14	49.5 Å²	49.5	6%	0.055	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	135.4	174.8	-62.9	-80.4	0	0	0	110.3	E178 I179 L240 N241 Q244 V262 D263	E178-Y246 VanDerWaalsContact CA-O 3.28Å; E178-Y246 WeakPolarHBondContact CA-O 3.36Å; I179-Y246 PolarHBondContact N-O 2.77Å; I179-Y246 PolarHBondContact O-N 3.27Å; L240-Y246 HydrophobicContact CB-CD2 4.44Å; L240-Y246 HydrophobicContact CB-CE2 3.96Å; L240-Y246 HydrophobicContact CD1-CD2 4.38Å; L240-Y246 HydrophobicContact CD2-CD1 3.56Å; L240-Y246 HydrophobicContact CD2-CD2 3.82Å; L240-Y246 HydrophobicContact CD2-CE1 3.64Å; L240-Y246 HydrophobicContact CD2-CE2 3.89Å; L240-Y246 HydrophobicContact CD2-CG 3.65Å; L240-Y246 HydrophobicContact CG-CD2 4.44Å; L240-Y246 HydrophobicContact CG-CE2 4.38Å; N241-Y246 PolarHBondContact N-OH 3.07Å; Q244-Y246 HydrophobicContact CB-CE2 3.8Å; Q244-Y246 VanDerWaalsContact O-CD2 3.32Å; Q244-Y246 WeakPolarHBondContact O-CD2 3.27Å; Q244-Y246 WeakPolarHBondContact O-CE2 3.5Å; Q244-Y246 PolarHBondContact OE1-OH 3.08Å; Y246-V262 HydrophobicContact CD1-CG1 4.17Å; Y246-D263 WeakPolarHBondContact CD1-OD2 3.41Å
247	Y	97.9	Very high	91.9	Very high	73 Å²	73	55 Å²	55	29%	0.286	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	121.3	168.5	177.1	-94.3	0	0	0	109.4	D176 E178 V262 D263	D176-Y247 HydrophobicContact CB-CE2 4.28Å; D176-Y247 PolarHBondContact OD1-OH 2.93Å; E178-Y247 HydrophobicContact CG-CD2 4.04Å; Y247-V262 CarbonylContact O-C 3.55Å; Y247-V262 WeakPolarHBondContact O-CA 3.18Å; Y247-D263 PolarHBondContact N-OD1 2.86Å; Y247-D263 PolarHBondContact O-N 3.1Å
248	I	98.4	Very high	91.7	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	130.4	-179.8	-56.6	-179.6	0	0	0	109.6	D176 L177 I179 L204 V211 F250 L260 S261 V262	D176-I248 CarbonylContact C-O 3.39Å; D176-I248 WeakPolarHBondContact CA-O 3.5Å; L177-I248 HydrophobicContact CD2-CB 4.35Å; L177-I248 PolarHBondContact N-O 3.02Å; L177-I248 PolarHBondContact O-N 2.69Å; I179-I248 HydrophobicContact CD1-CD1 3.46Å; I179-I248 VanDerWaalsContact CD1-CD1 3.46Å; I179-I248 HydrophobicContact CG1-CD1 3.78Å; I179-I248 HydrophobicContact CG1-CG1 4.46Å; L204-I248 HydrophobicContact CD2-CG2 3.95Å; V211-I248 HydrophobicContact CG1-CD1 4.26Å; V211-I248 HydrophobicContact CG1-CG2 4.49Å; V211-I248 HydrophobicContact CG2-CD1 4Å; I248-F250 HydrophobicContact CG2-CD1 4.34Å; I248-L260 HydrophobicContact CG2-CD1 3.84Å; I248-S261 WeakPolarHBondContact CA-O 3.43Å; I248-V262 HydrophobicContact CG1-CG2 4.45Å
249	S	97.6	Very high	91.6	Very high	8 Å²	8	49.4 Å²	49.4	6%	0.056	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	127.9	173.9	-169.8	0	0	0	0	109.9	K174 V175 D176 L260 S261	K174-S249 WeakPolarHBondContact CE-OG 3.43Å; V175-S249 WeakPolarHBondContact O-CA 3.43Å; D176-S249 WeakPolarHBondContact OD1-CB 3.45Å; D176-S249 PolarHBondContact OD1-OG 3.12Å; S249-L260 CarbonylContact O-C 3.39Å; S249-S261 PolarHBondContact N-O 2.97Å; S249-S261 PolarHBondContact O-N 2.76Å
250	F	96.3	Very high	91.6	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	160	178.2	69.8	-83.9	0	0	0	111.5	Y173 K174 V175 L177 V191 F202 L204 Y213 I248 F259 L260	Y173-F250 HydrophobicContact CE2-CE2 4.4Å; K174-F250 WeakPolarHBondContact CA-O 3.34Å; V175-F250 HydrophobicContact CB-CD1 4.15Å; V175-F250 HydrophobicContact CB-CE1 3.6Å; V175-F250 HydrophobicContact CB-CE2 4.13Å; V175-F250 HydrophobicContact CB-CZ 3.59Å; V175-F250 HydrophobicContact CG1-CE1 3.68Å; V175-F250 HydrophobicContact CG1-CZ 3.82Å; V175-F250 HydrophobicContact CG2-CE1 4.45Å; V175-F250 HydrophobicContact CG2-CE2 4.19Å; V175-F250 HydrophobicContact CG2-CZ 3.94Å; V175-F250 PolarHBondContact N-O 2.74Å; V175-F250 PolarHBondContact O-N 2.91Å; L177-F250 HydrophobicContact CD2-CD1 4.38Å; L177-F250 HydrophobicContact CD2-CE1 3.87Å; V191-F250 HydrophobicContact CB-CZ 4.2Å; V191-F250 HydrophobicContact CG1-CZ 4.12Å; V191-F250 HydrophobicContact CG2-CE1 4.3Å; V191-F250 HydrophobicContact CG2-CZ 4.17Å; F202-F250 AromaticContact CD2-CE2 3.79Å; F202-F250 HydrophobicContact CD2-CE2 3.79Å; F202-F250 HydrophobicContact CD2-CZ 4.44Å; F202-F250 AromaticContact CE2-CE2 3.68Å; F202-F250 HydrophobicContact CE2-CE2 3.68Å; F202-F250 HydrophobicContact CE2-CZ 4.02Å; F202-F250 HydrophobicContact CZ-CE2 4.5Å; L204-F250 HydrophobicContact CB-CE1 4.26Å; L204-F250 HydrophobicContact CB-CZ 4.23Å; L204-F250 HydrophobicContact CD1-CD1 4.1Å; L204-F250 HydrophobicContact CD1-CE1 4.46Å; L204-F250 HydrophobicContact CD1-CG 4.26Å; L204-F250 HydrophobicContact CD2-CD1 3.89Å; L204-F250 HydrophobicContact CD2-CE1 3.69Å; L204-F250 HydrophobicContact CD2-CZ 4.46Å; L204-F250 HydrophobicContact CG-CD1 4.46Å; L204-F250 HydrophobicContact CG-CE1 4.37Å; Y213-F250 HydrophobicContact CD1-CB 4.19Å; Y213-F250 AromaticContact CD2-CD2 3.55Å; Y213-F250 HydrophobicContact CD2-CD2 3.55Å; Y213-F250 HydrophobicContact CD2-CE2 4.13Å; Y213-F250 HydrophobicContact CD2-CG 4.31Å; Y213-F250 AromaticContact CE2-CD2 3.62Å; Y213-F250 HydrophobicContact CE2-CD2 3.62Å; Y213-F250 HydrophobicContact CE2-CE2 4.12Å; Y213-F250 HydrophobicContact CG-CB 4.18Å; Y213-F250 HydrophobicContact CG-CD2 4.07Å; Y213-F250 HydrophobicContact CG-CG 4.44Å; I248-F250 HydrophobicContact CG2-CD1 4.34Å; F250-F259 VanDerWaalsContact CA-O 3.3Å; F250-F259 WeakPolarHBondContact CA-O 3.49Å; F250-F259 WeakPolarHBondContact CB-O 3.47Å; F250-L260 HydrophobicContact CB-CD1 3.86Å
251	G	91.8	Very high	91.6	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	162.4	-156.6	-179.3	0	0	0	0	0	113.4	Y173 Y213 S258 F259	Y173-G251 CarbonylContact O-C 3.58Å; Y173-G251 WeakPolarHBondContact O-CA 3.43Å; Y213-G251 WeakPolarHBondContact CE1-O 3.39Å; Y213-G251 PolarHBondContact OH-O 3.26Å; G251-S258 CarbonylContact O-C 3.44Å; G251-S258 VanDerWaalsContact O-CA 3.31Å; G251-S258 WeakPolarHBondContact O-CA 3.48Å; G251-F259 PolarHBondContact N-O 3.09Å; G251-F259 VanDerWaalsContact N-O 3.15Å; G251-F259 WeakPolarHBondContact O-CD1 3.49Å; G251-F259 PolarHBondContact O-N 3.11Å
252	E	85.8	Confident	91.6	Very high	7 Å²	7	41.9 Å²	41.9	3%	0.033	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	131.2	176.6	-74.4	-177.7	154.8	0	0	110.8	Y173 R217 K257	Y173-E252 HydrophobicContact CD1-CB 4.25Å; Y173-E252 HydrophobicContact CD1-CG 4.4Å; Y173-E252 HydrophobicContact CE1-CB 4.06Å; Y173-E252 HydrophobicContact CE1-CG 3.73Å; Y173-E252 PolarHBondContact O-N 3.49Å; R217-E252 IonicContact CZ-OE1 2.74Å; R217-E252 IonicContact CZ-OE2 3.24Å; R217-E252 IonicContact NE-OE1 3.86Å; R217-E252 PolarHBondContact NE-OE1 2.84Å; R217-E252 IonicContact NE-OE2 3.83Å; R217-E252 IonicContact NH2-OE1 3.5Å; R217-E252 PolarHBondContact NH2-OE1 2.91Å; R217-E252 VanDerWaalsContact NH2-OE1 3.14Å; R217-E252 IonicContact NH2-OE2 3.6Å; R217-E252 PolarHBondContact NH2-OE2 3.05Å; E252-K257 WeakPolarHBondContact CA-O 3.41Å
253	T	80.9	Confident	91.7	Very high	33 Å²	33	43 Å²	43	20%	0.202	22%	0.216	C	C	.	.			trans	-74.8	167.3	174.1	69.3	0	0	0	0	110.9	D255 G256 K257 F259	T253-D255 PolarHBondContact O-N 2.83Å; T253-D255 VanDerWaalsContact O-N 3.11Å; T253-G256 WeakPolarHBondContact O-CA 3.37Å; T253-G256 PolarHBondContact O-N 2.88Å; T253-K257 PolarHBondContact N-O 3.25Å; T253-K257 PolarHBondContact OG1-N 2.91Å; T253-K257 PolarHBondContact OG1-O 2.86Å; T253-F259 HydrophobicContact CG2-CD1 3.81Å; T253-F259 HydrophobicContact CG2-CE1 4.49Å
254	V	73.2	Confident	91.6	Very high	108 Å²	108	41.4 Å²	41.4	66%	0.655	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-31.1	176.6	-178.9	0	0	0	0	112.2	T170 T172 G256	T170-V254 HydrophobicContact CG2-CG1 3.93Å; T172-V254 VanDerWaalsContact CG2-CA 3.5Å; T172-V254 HydrophobicContact CG2-CB 4.35Å; T172-V254 HydrophobicContact CG2-CG2 4.05Å; V254-G256 PolarHBondContact O-N 2.78Å
255	D	77.1	Confident	91.6	Very high	140 Å²	140	40.7 Å²	40.7	75%	0.749	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78	2.9	177.5	-56.3	-34.7	0	0	0	113.5	T253 K257	T253-D255 PolarHBondContact O-N 2.83Å; T253-D255 VanDerWaalsContact O-N 3.11Å; D255-K257 VanDerWaalsContact C-N 3.3Å; D255-K257 PolarHBondContact O-N 2.9Å
256	G	78.3	Confident	91.5	Very high	19 Å²	19	42 Å²	42	20%	0.196	23%	0.231	C	C	.	.	S	Bend	trans	75.7	12.3	-177.9	0	0	0	0	0	114.8	Q232 T253 V254	Q232-G256 PolarHBondContact NE2-O 3.29Å; T253-G256 WeakPolarHBondContact O-CA 3.37Å; T253-G256 PolarHBondContact O-N 2.88Å; V254-G256 PolarHBondContact O-N 2.78Å
257	K	84.7	Confident	91.2	Very high	115 Å²	115	44.5 Å²	44.5	50%	0.5	24%	0.244	S	C	.	.			trans	-84.6	129.9	175.2	-69.2	-175.6	178.7	179.8	0	110.5	E252 T253 D255	E252-K257 WeakPolarHBondContact CA-O 3.41Å; T253-K257 PolarHBondContact N-O 3.25Å; T253-K257 PolarHBondContact OG1-N 2.91Å; T253-K257 PolarHBondContact OG1-O 2.86Å; D255-K257 VanDerWaalsContact C-N 3.3Å; D255-K257 PolarHBondContact O-N 2.9Å
258	S	90.9	Very high	90.7	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	137.9	168.7	-77.3	0	0	0	0	110.8	Y213 S215 Q232 G251 A269	Y213-S258 PolarHBondContact OH-OG 2.94Å; S215-S258 PolarHBondContact OG-OG 3.01Å; Q232-S258 PolarHBondContact OE1-OG 2.72Å; G251-S258 CarbonylContact O-C 3.44Å; G251-S258 VanDerWaalsContact O-CA 3.31Å; G251-S258 WeakPolarHBondContact O-CA 3.48Å; S258-A269 WeakPolarHBondContact O-CB 3.34Å; S258-A269 PolarHBondContact O-N 2.82Å
259	F	94.1	Very high	90	Very high	24 Å²	24	45.4 Å²	45.4	11%	0.105	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	155.9	173.7	75.6	-88.8	0	0	0	111.9	K174 Y213 F250 G251 T253 E267 D268	K174-F259 HydrophobicContact CD-CZ 4.46Å; K174-F259 HydrophobicContact CG-CZ 4.12Å; Y213-F259 VanDerWaalsContact CD1-O 3.29Å; Y213-F259 WeakPolarHBondContact CD1-O 3.35Å; Y213-F259 WeakPolarHBondContact CE1-O 3.38Å; F250-F259 VanDerWaalsContact CA-O 3.3Å; F250-F259 WeakPolarHBondContact CA-O 3.49Å; F250-F259 WeakPolarHBondContact CB-O 3.47Å; G251-F259 PolarHBondContact N-O 3.09Å; G251-F259 VanDerWaalsContact N-O 3.15Å; G251-F259 WeakPolarHBondContact O-CD1 3.49Å; G251-F259 PolarHBondContact O-N 3.11Å; T253-F259 HydrophobicContact CG2-CD1 3.81Å; T253-F259 HydrophobicContact CG2-CE1 4.49Å; F259-E267 WeakPolarHBondContact CA-O 3.38Å; F259-D268 WeakPolarHBondContact CB-OD1 3.5Å
260	L	97.7	Very high	88.9	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	133.2	174.1	174.2	60.4	0	0	0	109.1	L204 V211 V234 H236 I248 S249 F250 E267	L204-L260 HydrophobicContact CD1-CD1 3.9Å; V211-L260 HydrophobicContact CB-CD2 4.13Å; V211-L260 HydrophobicContact CG1-CD1 3.93Å; V211-L260 HydrophobicContact CG1-CD2 3.86Å; V211-L260 HydrophobicContact CG1-CG 4.47Å; V211-L260 WeakPolarHBondContact O-CD2 3.36Å; V234-L260 HydrophobicContact CB-CB 3.97Å; V234-L260 HydrophobicContact CG1-CB 3.77Å; V234-L260 WeakPolarHBondContact O-CD2 3.22Å; H236-L260 HydrophobicContact CB-CD2 3.73Å; H236-L260 HydrophobicContact CB-CG 4.12Å; I248-L260 HydrophobicContact CG2-CD1 3.84Å; S249-L260 CarbonylContact O-C 3.39Å; F250-L260 HydrophobicContact CB-CD1 3.86Å; L260-E267 PolarHBondContact N-O 3Å; L260-E267 PolarHBondContact O-N 3.49Å
261	S	97.6	Very high	87.6	Confident	11 Å²	11	58.4 Å²	58.4	8%	0.077	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	136.6	176.4	179	0	0	0	0	110.8	I248 S249 G264 I265	I248-S261 WeakPolarHBondContact CA-O 3.43Å; S249-S261 PolarHBondContact N-O 2.97Å; S249-S261 PolarHBondContact O-N 2.76Å; S261-G264 WeakPolarHBondContact OG-CA 3.44Å; S261-I265 CarbonylContact C-O 3.57Å; S261-I265 WeakPolarHBondContact CA-O 3.34Å; S261-I265 WeakPolarHBondContact CB-O 3.39Å; S261-I265 PolarHBondContact OG-O 2.83Å
262	V	98.3	Very high	86.9	Confident	0 Å²	0	64 Å²	64	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	124.1	171.4	-176.3	0	0	0	0	107.9	V211 H236 T238 L240 Y246 Y247 I248 G264 I265	V211-V262 HydrophobicContact CB-CG2 4.26Å; V211-V262 HydrophobicContact CG2-CG2 4.01Å; H236-V262 HydrophobicContact CB-CG2 3.94Å; T238-V262 HydrophobicContact CG2-CG1 4Å; L240-V262 HydrophobicContact CD2-CG1 4.23Å; Y246-V262 HydrophobicContact CD1-CG1 4.17Å; Y247-V262 CarbonylContact O-C 3.55Å; Y247-V262 WeakPolarHBondContact O-CA 3.18Å; I248-V262 HydrophobicContact CG1-CG2 4.45Å; V262-G264 PolarHBondContact O-N 2.93Å; V262-G264 VanDerWaalsContact O-N 3.16Å; V262-I265 PolarHBondContact N-O 3.17Å; V262-I265 PolarHBondContact O-N 3.25Å; V262-I265 VanDerWaalsContact O-N 3.11Å
263	D	97.1	Very high	86.4	Confident	85 Å²	85	69.2 Å²	69.2	46%	0.455	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.4	36.9	-177.6	-59.4	-32.6	0	0	0	113.8	Y246 Y247 I265	Y246-D263 WeakPolarHBondContact CD1-OD2 3.41Å; Y247-D263 PolarHBondContact N-OD1 2.86Å; Y247-D263 PolarHBondContact O-N 3.1Å; D263-I265 VanDerWaalsContact C-N 3.3Å; D263-I265 PolarHBondContact O-N 3.48Å
264	G	94.5	Very high	85.8	Confident	61 Å²	61	71 Å²	71	63%	0.629	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.7	-5.9	176.4	0	0	0	0	0	115.2	S261 V262	S261-G264 WeakPolarHBondContact OG-CA 3.44Å; V262-G264 PolarHBondContact O-N 2.93Å; V262-G264 VanDerWaalsContact O-N 3.16Å
265	I	96.4	Very high	85.5	Confident	82 Å²	82	68.3 Å²	68.3	42%	0.421	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	131.2	169	-54.8	175.9	0	0	0	107.5	H236 F237 S261 V262 D263	H236-I265 PolarHBondContact NE2-O 2.85Å; F237-I265 HydrophobicContact CE1-CG2 3.64Å; F237-I265 HydrophobicContact CZ-CD1 4.08Å; F237-I265 HydrophobicContact CZ-CG2 3.72Å; S261-I265 CarbonylContact C-O 3.57Å; S261-I265 WeakPolarHBondContact CA-O 3.34Å; S261-I265 WeakPolarHBondContact CB-O 3.39Å; S261-I265 PolarHBondContact OG-O 2.83Å; V262-I265 PolarHBondContact N-O 3.17Å; V262-I265 PolarHBondContact O-N 3.25Å; V262-I265 VanDerWaalsContact O-N 3.11Å; D263-I265 VanDerWaalsContact C-N 3.3Å; D263-I265 PolarHBondContact O-N 3.48Å
266	K	94.6	Very high	84.4	Confident	102 Å²	102	66.7 Å²	66.7	44%	0.443	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	135.2	-172.4	-171.5	-172.2	177.3	-141.2	0	111	D268	K266-D268 WeakPolarHBondContact CE-OD1 3.3Å; K266-D268 IonicContact NZ-OD1 3.67Å; K266-D268 PolarHBondContact NZ-OD1 3.09Å; K266-D268 IonicContact NZ-OD2 2.69Å
267	E	91.9	Very high	83.2	Confident	66 Å²	66	74.4 Å²	74.4	31%	0.308	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	143.2	167.3	-68.9	-66.3	169.7	0	0	109.5	V234 F237 F259 L260	V234-E267 HydrophobicContact CG1-CB 3.82Å; F237-E267 HydrophobicContact CD1-CG 4.29Å; F237-E267 WeakPolarHBondContact CD1-OE1 3.17Å; F237-E267 WeakPolarHBondContact CE1-OE1 3.23Å; F259-E267 WeakPolarHBondContact CA-O 3.38Å; L260-E267 PolarHBondContact N-O 3Å; L260-E267 PolarHBondContact O-N 3.49Å
268	D	88	Confident	81.3	Confident	67 Å²	67	73 Å²	73	36%	0.358	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	156.4	174	-67.7	-47.5	0	0	0	109.5	F259 K266 V270	F259-D268 WeakPolarHBondContact CB-OD1 3.5Å; K266-D268 WeakPolarHBondContact CE-OD1 3.3Å; K266-D268 IonicContact NZ-OD1 3.67Å; K266-D268 PolarHBondContact NZ-OD1 3.09Å; K266-D268 IonicContact NZ-OD2 2.69Å; D268-V270 PolarHBondContact O-N 3.49Å; D268-V270 VanDerWaalsContact O-N 3.17Å
269	A	83.1	Confident	79	Confident	26 Å²	26	79.7 Å²	79.7	22%	0.215	42%	0.421	C	S	.	.			trans	-56.9	121.9	177.6	0	0	0	0	0	112	Q232 V234 S258	Q232-A269 HydrophobicContact CB-CB 4.32Å; V234-A269 HydrophobicContact CG2-CB 3.72Å; S258-A269 WeakPolarHBondContact O-CB 3.34Å; S258-A269 PolarHBondContact O-N 2.82Å
270	V	74.1	Confident	76.1	Confident	110 Å²	110	83.8 Å²	83.8	67%	0.667	45%	0.448	S	S	*	.			trans	-97	-31.2	176.7	-176.5	0	0	0	0	111	D268	D268-V270 PolarHBondContact O-N 3.49Å; D268-V270 VanDerWaalsContact O-N 3.17Å
271	Y	70.6	Confident	73.3	Confident	171 Å²	171	89.5 Å²	89.5	67%	0.671	48%	0.477	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.1	128.6	-171.1	-62.9	-79.8	0	0	0	111.5	E233	E233-Y271 PolarHBondContact N-O 3.32Å
272	M	76.9	Confident	70.5	Confident	116 Å²	116	96.7 Å²	96.7	57%	0.571	51%	0.509	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.5	110.6	171.3	-171.2	-177.1	-67.6	0	0	108.6	I231 Q232	I231-M272 CarbonylContact O-C 3.37Å; I231-M272 WeakPolarHBondContact O-CA 3.21Å; Q232-M272 HydrophobicContact CG-CE 4.43Å
273	K	74.2	Confident	67.8	Low	118 Å²	118	102.5 Å²	102.5	51%	0.513	53%	0.532	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	107.9	175.5	-175	-179.6	-177.9	-176.8	0	108.2	I231 I275	I231-K273 HydrophobicContact CB-CB 4.35Å; I231-K273 PolarHBondContact N-O 2.76Å; I231-K273 PolarHBondContact O-N 3.34Å; K273-I275 HydrophobicContact CG-CG1 4.4Å
274	V	69.7	Low	65	Low	70 Å²	70	107 Å²	107	42%	0.424	55%	0.55	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	116	168.6	-176.5	0	0	0	0	106.9	K228 P276	K228-V274 HydrophobicContact CG-CG1 4.38Å; V274-P276 VanDerWaalsContact O-CD 3.32Å; V274-P276 WeakPolarHBondContact O-CD 3.32Å
275	I	65.4	Low	62.4	Low	51 Å²	51	112.8 Å²	112.8	26%	0.262	56%	0.558	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-84.3	116.7	174.1	-60.6	176.6	0	0	0	107.2	E229 I231 K273	E229-I275 HydrophobicContact CB-CB 4.3Å; E229-I275 PolarHBondContact O-N 2.96Å; E229-I275 VanDerWaalsContact O-N 3.07Å; I231-I275 HydrophobicContact CD1-CD1 3.56Å; I231-I275 HydrophobicContact CD1-CG1 4.36Å; I231-I275 HydrophobicContact CG1-CD1 4.44Å; K273-I275 HydrophobicContact CG-CG1 4.4Å
276	P	54.1	Low	59.8	Low	107 Å²	107	117 Å²	117	70%	0.695	57%	0.57	S	S	*	*			trans	-65.2	148.2	172.7	-17	32.1	0	0	0	110.8	V274	V274-P276 VanDerWaalsContact O-CD 3.32Å; V274-P276 WeakPolarHBondContact O-CD 3.32Å
277	W	53.4	Low	56.9	Low	181 Å²	181	117.9 Å²	117.9	69%	0.686	58%	0.579	S	S	*	*			trans	-31.2	127.4	-171.8	-49.4	-49.9	0	0	0	115.8	Y226	Y226-W277 HydrophobicContact CD1-CB 4.42Å; Y226-W277 HydrophobicContact CD1-CD2 4.42Å; Y226-W277 HydrophobicContact CD1-CG 4.14Å
278	S	45	Very low	54.3	Low	84 Å²	84	123.3 Å²	123.3	59%	0.587	60%	0.601	S	S	*	*			trans	-95.1	133.1	159.2	56.9	0	0	0	0	109.6	V280	S278-V280 PolarHBondContact O-N 3.46Å
279	D	41.5	Very low	51.8	Low	142 Å²	142	127.5 Å²	127.5	76%	0.759	62%	0.624	S	S	*	*	S	Bend	trans	-65.3	115.2	173.9	-72.7	-43.2	0	0	0	109.9
280	V	35	Very low	49.9	Very low	109 Å²	109	131.7 Å²	131.7	66%	0.661	65%	0.647	S	S	*	*			trans	67	107.1	155.7	-168.6	0	0	0	0	117.8	S278	S278-V280 PolarHBondContact O-N 3.46Å
281	I	38.2	Very low	48.3	Very low	120 Å²	120	132.3 Å²	132.3	62%	0.615	65%	0.646	S	S	*	*			trans	-112.7	116.5	148.7	-61.2	177.3	0	0	0	108	Y283	I281-Y283 PolarHBondContact O-N 2.95Å
282	H	38.6	Very low	47.1	Very low	162 Å²	162	132.3 Å²	132.3	75%	0.75	66%	0.658	S	S	*	*			trans	-52.3	129.6	178.1	-93	-77.2	0	0	0	112.7
283	Y	40.9	Very low	45.5	Very low	122 Å²	122	133 Å²	133	48%	0.478	66%	0.661	S	S	.	*	G	3₁₀ helix	trans	-83	-9.2	-165.7	-170.7	-109.7	0	0	0	115.5	I281 K285 L287	I281-Y283 PolarHBondContact O-N 2.95Å; Y283-K285 PolarHBondContact O-N 2.84Å; Y283-L287 HydrophobicContact CD1-CD1 4.23Å; Y283-L287 HydrophobicContact CE1-CD1 3.32Å; Y283-L287 HydrophobicContact CE1-CG 4.28Å
284	E	39.9	Very low	44.7	Very low	179 Å²	179	132.4 Å²	132.4	84%	0.836	66%	0.66	S	S	*	*	G	3₁₀ helix	trans	-85	-5.2	-164	-73.1	-174.4	159.5	0	0	116.8
285	K	39.8	Very low	44.2	Very low	184 Å²	184	132.3 Å²	132.3	80%	0.8	65%	0.654	S	S	*	*	G	3₁₀ helix	trans	-88.8	-12.8	179.9	-148.6	174.4	-178.9	-178.3	0	114.9	Y283	Y283-K285 PolarHBondContact O-N 2.84Å
286	Y	40.5	Very low	44.5	Very low	170 Å²	170	130 Å²	130	67%	0.667	64%	0.643	S	S	*	*	S	Bend	trans	-108.8	-2.6	-168.8	-73.8	-85.8	0	0	0	116.1
287	L	33.2	Very low	45.8	Very low	120 Å²	120	126.9 Å²	126.9	63%	0.628	62%	0.617	S	S	*	*			trans	-108.4	23.9	177.9	-73.3	-179.9	0	0	0	114.4	Y283 N289	Y283-L287 HydrophobicContact CD1-CD1 4.23Å; Y283-L287 HydrophobicContact CE1-CD1 3.32Å; Y283-L287 HydrophobicContact CE1-CG 4.28Å; L287-N289 PolarHBondContact O-N 2.86Å
288	K	37.5	Very low	47.5	Very low	180 Å²	180	118.3 Å²	118.3	78%	0.783	59%	0.585	S	S	*	*	S	Bend	trans	-74.2	99.9	165.7	-81.2	-171.7	176.2	-176.1	0	108.8	V290	K288-V290 PolarHBondContact O-N 2.99Å
289	N	36.1	Very low	49.9	Very low	155 Å²	155	114.3 Å²	114.3	83%	0.829	56%	0.557	S	S	*	*			trans	15.3	76.6	157.4	-73.6	-17.6	0	0	0	114.6	L287 N291	L287-N289 PolarHBondContact O-N 2.86Å; N289-N291 PolarHBondContact O-N 2.89Å
290	V	42.4	Very low	52.5	Low	115 Å²	115	107.6 Å²	107.6	70%	0.697	52%	0.521	S	S	*	.			trans	-89.6	97.1	163.8	-174.3	0	0	0	0	105.4	K288	K288-V290 PolarHBondContact O-N 2.99Å
291	N	41.1	Very low	55.4	Low	123 Å²	123	102.4 Å²	102.4	66%	0.658	49%	0.49	S	S	*	.			trans	-45.9	142.2	170.8	-70.3	-33.7	0	0	0	110.5	N289 M293	N289-N291 PolarHBondContact O-N 2.89Å; N291-M293 VanDerWaalsContact C-N 3.33Å; N291-M293 PolarHBondContact O-N 2.76Å
292	D	46.2	Very low	57.9	Low	171 Å²	171	96.7 Å²	96.7	91%	0.914	46%	0.46	S	S	*	.	S	Bend	trans	-47	71.6	-170.1	-72.2	-50.6	0	0	0	117.4
293	M	43.4	Very low	60.4	Low	131 Å²	131	89.3 Å²	89.3	65%	0.645	43%	0.426	S	S	*	.			trans	-140.9	104.2	158.3	-78	-168.7	174.4	0	0	110.9	N291 F295	N291-M293 VanDerWaalsContact C-N 3.33Å; N291-M293 PolarHBondContact O-N 2.76Å; M293-F295 HydrophobicContact CB-CD2 3.7Å; M293-F295 HydrophobicContact CB-CE2 3.52Å; M293-F295 HydrophobicContact CG-CE2 3.95Å; M293-F295 PolarHBondContact O-N 2.88Å; M293-F295 HydrophobicContact SD-CD2 4.5Å; M293-F295 HydrophobicContact SD-CE2 3.43Å; M293-F295 WeakPolarHBondContact SD-CE2 3.47Å; M293-F295 HydrophobicContact SD-CZ 3.94Å
294	E	56.5	Low	62.8	Low	105 Å²	105	84.1 Å²	84.1	49%	0.491	41%	0.408	S	S	.	.			trans	-73.9	83.2	175.1	-62.4	-173	140.4	0	0	111.3	S147 K197	S147-E294 WeakPolarHBondContact CB-O 3.5Å; S147-E294 PolarHBondContact N-O 2.05Å; K197-E294 WeakPolarHBondContact CE-OE1 3.45Å; K197-E294 IonicContact NZ-OE1 2.69Å; K197-E294 PolarHBondContact NZ-OE1 3.22Å
295	F	58.9	Low	65.1	Low	68 Å²	68	80.5 Å²	80.5	30%	0.298	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	115.6	172.5	-68.5	-74.1	0	0	0	112.3	Y144 F145 K146 N196 M293	Y144-F295 HydrophobicContact CD1-CB 4.25Å; F145-F295 CarbonylContact O-C 3.58Å; F145-F295 WeakPolarHBondContact O-CA 3.45Å; K146-F295 HydrophobicContact CD-CE1 4.31Å; K146-F295 HydrophobicContact CG-CD1 3.78Å; K146-F295 HydrophobicContact CG-CE1 3.43Å; K146-F295 VanDerWaalsContact CG-CE1 3.43Å; K146-F295 HydrophobicContact CG-CZ 4.38Å; N196-F295 PolarHBondContact ND2-O 3Å; N196-F295 PolarHBondContact OD1-O 3.1Å; M293-F295 HydrophobicContact CB-CD2 3.7Å; M293-F295 HydrophobicContact CB-CE2 3.52Å; M293-F295 HydrophobicContact CG-CE2 3.95Å; M293-F295 PolarHBondContact O-N 2.88Å; M293-F295 HydrophobicContact SD-CD2 4.5Å; M293-F295 HydrophobicContact SD-CE2 3.43Å; M293-F295 WeakPolarHBondContact SD-CE2 3.47Å; M293-F295 HydrophobicContact SD-CZ 3.94Å
296	S	71.8	Confident	67.4	Low	3 Å²	3	72.1 Å²	72.1	2%	0.021	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	164.5	168.2	-49.9	0	0	0	0	111	F145 H193	F145-S296 WeakPolarHBondContact CD1-O 3.41Å; F145-S296 PolarHBondContact N-O 2.91Å; F145-S296 PolarHBondContact O-N 2.82Å; H193-S296 VanDerWaalsContact CE1-CB 3.48Å; H193-S296 WeakPolarHBondContact CE1-CB 3.28Å
297	Y	81.1	Confident	69.6	Low	40 Å²	40	64.3 Å²	64.3	16%	0.157	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	151.9	175.9	68.5	-91.1	0	0	0	112.5	K142 F143 H193 E194	K142-Y297 HydrophobicContact CD-CD2 4.33Å; K142-Y297 VanDerWaalsContact CE-CD2 3.49Å; K142-Y297 HydrophobicContact CG-CD2 4.28Å; F143-Y297 CarbonylContact O-C 3.57Å; F143-Y297 WeakPolarHBondContact O-CA 3.17Å; F143-Y297 WeakPolarHBondContact O-CB 3.36Å; H193-Y297 PolarHBondContact ND1-O 3.07Å; E194-Y297 HydrophobicContact CB-CE1 4.35Å
298	V	90.2	Very high	71.9	Confident	2 Å²	2	65.5 Å²	65.5	1%	0.012	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	137.9	169.3	59.4	0	0	0	0	108.4	K142 F143 F145 V191 S192 H193 F202 F300 I333	K142-V298 WeakPolarHBondContact CA-O 3.37Å; F143-V298 HydrophobicContact CB-CG1 4.09Å; F143-V298 PolarHBondContact N-O 3.31Å; F143-V298 PolarHBondContact O-N 2.85Å; F145-V298 HydrophobicContact CD1-CB 4.48Å; F145-V298 HydrophobicContact CD1-CG1 4.14Å; F145-V298 HydrophobicContact CE1-CB 4.01Å; F145-V298 HydrophobicContact CE1-CG1 4.16Å; V191-V298 HydrophobicContact CG1-CG2 3.47Å; V191-V298 VanDerWaalsContact CG1-CG2 3.47Å; S192-V298 CarbonylContact O-C 3.46Å; S192-V298 WeakPolarHBondContact O-CA 3.06Å; H193-V298 HydrophobicContact CB-CG2 4.49Å; F202-V298 HydrophobicContact CE2-CG2 4.36Å; F202-V298 HydrophobicContact CZ-CG2 4.29Å; V298-F300 HydrophobicContact CB-CE2 4.5Å; V298-F300 HydrophobicContact CG1-CE2 3.81Å; V298-F300 HydrophobicContact CG2-CD2 4.39Å; V298-F300 HydrophobicContact CG2-CE2 3.9Å; V298-F300 HydrophobicContact CG2-CZ 4.22Å; V298-I333 HydrophobicContact CG1-CD1 3.69Å
299	S	94.8	Very high	73.7	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	134.3	174.7	-44	0	0	0	0	109.9	L141 V191 S192 G302	L141-S299 CarbonylContact O-C 3.52Å; L141-S299 WeakPolarHBondContact O-CA 2.98Å; V191-S299 CarbonylContact C-O 3.46Å; V191-S299 VanDerWaalsContact CA-O 3.27Å; V191-S299 WeakPolarHBondContact CA-O 3.44Å; V191-S299 WeakPolarHBondContact CG1-O 3.44Å; S192-S299 PolarHBondContact N-O 2.8Å; S192-S299 PolarHBondContact O-N 2.8Å; S299-G302 WeakPolarHBondContact CB-O 3.03Å
300	F	96.5	Very high	75.4	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	143.8	172.8	-65.7	-96.4	0	0	0	109	Y140 L141 F143 V175 L177 L190 V191 V298 G302 I328 I331	Y140-F300 CarbonylContact C-O 3.54Å; Y140-F300 WeakPolarHBondContact CA-O 3.49Å; Y140-F300 WeakPolarHBondContact CB-O 3.3Å; L141-F300 PolarHBondContact N-O 2.93Å; L141-F300 PolarHBondContact O-N 2.92Å; F143-F300 AromaticContact CD2-CD2 3.6Å; F143-F300 HydrophobicContact CD2-CD2 3.6Å; F143-F300 AromaticContact CD2-CE2 3.79Å; F143-F300 HydrophobicContact CD2-CE2 3.79Å; F143-F300 AromaticContact CE2-CD2 3.54Å; F143-F300 HydrophobicContact CE2-CD2 3.54Å; F143-F300 HydrophobicContact CE2-CE2 4.03Å; F143-F300 HydrophobicContact CE2-CG 4.49Å; V175-F300 HydrophobicContact CG1-CE1 4.02Å; V175-F300 HydrophobicContact CG1-CZ 3.98Å; L177-F300 HydrophobicContact CD1-CD1 4.18Å; L177-F300 HydrophobicContact CD1-CE1 4.27Å; L190-F300 CarbonylContact O-C 3.47Å; L190-F300 WeakPolarHBondContact O-CA 3.04Å; V191-F300 HydrophobicContact CG1-CD1 4.5Å; V191-F300 HydrophobicContact CG1-CE1 4.4Å; V191-F300 HydrophobicContact CG2-CD1 3.71Å; V191-F300 HydrophobicContact CG2-CE1 3.91Å; V298-F300 HydrophobicContact CB-CE2 4.5Å; V298-F300 HydrophobicContact CG1-CE2 3.81Å; V298-F300 HydrophobicContact CG2-CD2 4.39Å; V298-F300 HydrophobicContact CG2-CE2 3.9Å; V298-F300 HydrophobicContact CG2-CZ 4.22Å; F300-G302 VanDerWaalsContact C-N 3.35Å; F300-I328 HydrophobicContact CB-CD1 3.87Å; F300-I328 HydrophobicContact CD1-CD1 3.58Å; F300-I328 HydrophobicContact CE1-CD1 4.47Å; F300-I328 HydrophobicContact CG-CD1 4.02Å; F300-I331 HydrophobicContact CD1-CD1 4.33Å; F300-I331 HydrophobicContact CD2-CD1 4.47Å; F300-I331 HydrophobicContact CE1-CG2 3.8Å; F300-I331 HydrophobicContact CE2-CG2 3.9Å; F300-I331 HydrophobicContact CG-CD1 4.3Å; F300-I331 HydrophobicContact CZ-CG2 3.39Å
301	G	95	Very high	77.1	Confident	0 Å²	0	51 Å²	51	0%	0	27%	0.268	C	S	.	.	S	Bend	trans	91.8	-18.6	-173.6	0	0	0	0	0	114.9	L189 L190 S323 Y324	L189-G301 CarbonylContact O-C 3.46Å; L189-G301 VanDerWaalsContact O-O 3.1Å; L190-G301 PolarHBondContact O-N 3.04Å; G301-S323 CarbonylContact O-C 3.54Å; G301-S323 WeakPolarHBondContact O-CA 3.19Å; G301-S323 WeakPolarHBondContact O-CB 3.22Å; G301-Y324 PolarHBondContact O-N 2.86Å
302	G	90.5	Very high	79.2	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.255	C	S	.	.	S	Bend	trans	157	-141.9	-176	0	0	0	0	0	112.5	L189 S192 S299 F300	L189-G302 WeakPolarHBondContact O-CA 3.49Å; L189-G302 PolarHBondContact O-N 3.16Å; S192-G302 PolarHBondContact OG-O 3.02Å; S299-G302 WeakPolarHBondContact CB-O 3.03Å; F300-G302 VanDerWaalsContact C-N 3.35Å
303	H	93	Very high	81.2	Confident	8 Å²	8	40.2 Å²	40.2	4%	0.037	21%	0.214	C	C	.	.			trans	-134.5	140.7	176.3	-172.7	-102.9	0	0	0	109.6	L189 S192 E305 L306 I313	L189-H303 HydrophobicContact CD2-CB 3.86Å; S192-H303 PolarHBondContact OG-CD2 3.2Å; H303-E305 IonicContact CE1-OE2 3.72Å; H303-E305 PolarHBondContact CE1-OE2 2.78Å; H303-E305 WeakPolarHBondContact ND1-CB 3.06Å; H303-E305 PolarHBondContact ND1-N 3.23Å; H303-E305 IonicContact ND1-OE2 2.75Å; H303-E305 PolarHBondContact O-N 3.04Å; H303-L306 HydrophobicContact CB-CD1 4.37Å; H303-L306 HydrophobicContact CB-CG 4.45Å; H303-L306 WeakPolarHBondContact O-CB 3.43Å; H303-L306 PolarHBondContact O-N 3.18Å; H303-I313 HydrophobicContact CB-CD1 3.46Å; H303-I313 VanDerWaalsContact CB-CD1 3.46Å
304	P	90.7	Very high	83.2	Confident	13 Å²	13	41.1 Å²	41.1	8%	0.084	22%	0.216	C	C	.	.	H	α-helix	trans	-53.4	-29.6	-178.8	-28.2	34	0	0	0	115.1	Y140 T307 K308	Y140-P304 HydrophobicContact CD2-CG 4.04Å; Y140-P304 HydrophobicContact CE1-CB 4.05Å; Y140-P304 HydrophobicContact CE1-CG 4.41Å; Y140-P304 HydrophobicContact CE2-CB 4.06Å; Y140-P304 HydrophobicContact CE2-CG 3.65Å; P304-T307 PolarHBondContact O-N 2.77Å; P304-K308 WeakPolarHBondContact O-CG 3.45Å; P304-K308 PolarHBondContact O-N 2.04Å
305	E	88.1	Confident	84.7	Confident	103 Å²	103	36.6 Å²	36.6	48%	0.481	20%	0.195	S	C	.	.	H	α-helix	trans	-71.7	-28.1	177.8	-66.1	178.1	162.6	0	0	113.5	H303 T307 K308 T309 I313	H303-E305 IonicContact CE1-OE2 3.72Å; H303-E305 PolarHBondContact CE1-OE2 2.78Å; H303-E305 WeakPolarHBondContact ND1-CB 3.06Å; H303-E305 PolarHBondContact ND1-N 3.23Å; H303-E305 IonicContact ND1-OE2 2.75Å; H303-E305 PolarHBondContact O-N 3.04Å; E305-T307 VanDerWaalsContact C-N 3.29Å; E305-T307 PolarHBondContact O-N 2.94Å; E305-K308 PolarHBondContact O-N 2.89Å; E305-T309 WeakPolarHBondContact O-CB 3.43Å; E305-T309 WeakPolarHBondContact O-CG2 3.46Å; E305-T309 PolarHBondContact O-N 3.42Å; E305-T309 PolarHBondContact O-OG1 3.03Å; E305-I313 HydrophobicContact CB-CG2 3.95Å
306	L	87.1	Confident	86.1	Confident	7 Å²	7	33.5 Å²	33.5	4%	0.037	18%	0.182	C	C	.	.	H	α-helix	trans	-61.9	-41.7	173.7	-73.5	170.9	0	0	0	110.2	L189 H303 G310 G311 I313 F320	L189-L306 HydrophobicContact CB-CD1 4.36Å; L189-L306 HydrophobicContact CD2-CD1 4.07Å; H303-L306 HydrophobicContact CB-CD1 4.37Å; H303-L306 HydrophobicContact CB-CG 4.45Å; H303-L306 WeakPolarHBondContact O-CB 3.43Å; H303-L306 PolarHBondContact O-N 3.18Å; L306-G310 WeakPolarHBondContact O-CA 3.48Å; L306-G310 PolarHBondContact O-N 2.67Å; L306-G311 WeakPolarHBondContact CD2-O 3.49Å; L306-I313 HydrophobicContact CD1-CD1 4.21Å; L306-I313 HydrophobicContact CD1-CG1 4.49Å; L306-I313 HydrophobicContact CD2-CB 4.48Å; L306-I313 HydrophobicContact CD2-CD1 4.37Å; L306-I313 HydrophobicContact CD2-CG1 3.91Å; L306-I313 HydrophobicContact CD2-CG2 4Å; L306-I313 HydrophobicContact CG-CD1 3.93Å; L306-I313 HydrophobicContact CG-CG1 4.03Å; L306-I313 HydrophobicContact CG-CG2 4.21Å; L306-F320 WeakPolarHBondContact CD2-O 3.19Å
307	T	87.3	Confident	86.7	Confident	6 Å²	6	36.1 Å²	36.1	4%	0.037	21%	0.209	C	C	.	.	H	α-helix	trans	-67.5	-41.9	176.8	-46.8	0	0	0	0	112.3	Q100 L113 G138 Y140 P304 E305 Y353	Q100-T307 HydrophobicContact CB-CG2 4.4Å; Q100-T307 HydrophobicContact CG-CG2 4.37Å; L113-T307 HydrophobicContact CD1-CG2 3.91Å; G138-T307 WeakPolarHBondContact O-CB 3.37Å; G138-T307 PolarHBondContact O-OG1 3.17Å; Y140-T307 WeakPolarHBondContact CD1-OG1 3.42Å; Y140-T307 HydrophobicContact CE1-CG2 4.27Å; Y140-T307 WeakPolarHBondContact CE1-OG1 3.37Å; P304-T307 PolarHBondContact O-N 2.77Å; E305-T307 VanDerWaalsContact C-N 3.29Å; E305-T307 PolarHBondContact O-N 2.94Å; T307-Y353 HydrophobicContact CG2-CG 4.14Å
308	K	82.5	Confident	87.1	Confident	145 Å²	145	37.4 Å²	37.4	63%	0.63	21%	0.214	S	C	*	.	H	α-helix	trans	-74.8	-41.2	-175.5	-72.1	176.4	-177.5	-178.4	0	113.6	P304 E305	P304-K308 WeakPolarHBondContact O-CG 3.45Å; P304-K308 PolarHBondContact O-N 2.04Å; E305-K308 PolarHBondContact O-N 2.89Å
309	T	75.7	Confident	87	Confident	95 Å²	95	41.8 Å²	41.8	58%	0.583	24%	0.237	S	C	*	.	H	α-helix	trans	-92.9	-26.2	-173.5	63.2	0	0	0	0	112.4	E305 G311	E305-T309 WeakPolarHBondContact O-CB 3.43Å; E305-T309 WeakPolarHBondContact O-CG2 3.46Å; E305-T309 PolarHBondContact O-N 3.42Å; E305-T309 PolarHBondContact O-OG1 3.03Å; T309-G311 PolarHBondContact O-N 3.07Å; T309-G311 PolarHBondContact OG1-N 2.82Å
310	G	70.6	Confident	86.7	Confident	28 Å²	28	41.9 Å²	41.9	29%	0.289	24%	0.237	S	C	.	.	S	Bend	trans	62.6	12.4	-169.2	0	0	0	0	0	113.7	L306	L306-G310 WeakPolarHBondContact O-CA 3.48Å; L306-G310 PolarHBondContact O-N 2.67Å
311	G	78.9	Confident	86.2	Confident	24 Å²	24	46.5 Å²	46.5	25%	0.247	26%	0.259	C	S	.	.	S	Bend	trans	-123.4	175.5	-175.9	0	0	0	0	0	112.8	L306 T309	L306-G311 WeakPolarHBondContact CD2-O 3.49Å; T309-G311 PolarHBondContact O-N 3.07Å; T309-G311 PolarHBondContact OG1-N 2.82Å
312	S	84.8	Confident	86	Confident	57 Å²	57	48.2 Å²	48.2	40%	0.399	27%	0.266	S	S	.	.			trans	-69.1	140.9	-177.1	-37.4	0	0	0	0	112.1	F320 E321	S312-F320 CarbonylContact C-O 3.6Å; S312-F320 VanDerWaalsContact CA-O 3.27Å; S312-F320 WeakPolarHBondContact CA-O 3.4Å; S312-E321 VanDerWaalsContact OG-CG 3.31Å; S312-E321 WeakPolarHBondContact OG-CG 3.22Å; S312-E321 PolarHBondContact OG-OE1 3Å
313	I	87.4	Confident	86.1	Confident	10 Å²	10	48.3 Å²	48.3	5%	0.051	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	148	175.4	65.7	166.1	0	0	0	111.2	L189 H303 E305 L306 F315 I319 F320	L189-I313 HydrophobicContact CD2-CD1 3.96Å; H303-I313 HydrophobicContact CB-CD1 3.46Å; H303-I313 VanDerWaalsContact CB-CD1 3.46Å; E305-I313 HydrophobicContact CB-CG2 3.95Å; L306-I313 HydrophobicContact CD1-CD1 4.21Å; L306-I313 HydrophobicContact CD1-CG1 4.49Å; L306-I313 HydrophobicContact CD2-CB 4.48Å; L306-I313 HydrophobicContact CD2-CD1 4.37Å; L306-I313 HydrophobicContact CD2-CG1 3.91Å; L306-I313 HydrophobicContact CD2-CG2 4Å; L306-I313 HydrophobicContact CG-CD1 3.93Å; L306-I313 HydrophobicContact CG-CG1 4.03Å; L306-I313 HydrophobicContact CG-CG2 4.21Å; I313-F315 HydrophobicContact CD1-CB 4.24Å; I313-I319 CarbonylContact O-C 3.59Å; I313-I319 VanDerWaalsContact O-CA 3.31Å; I313-I319 WeakPolarHBondContact O-CA 3.49Å; I313-F320 HydrophobicContact CG1-CB 4.15Å; I313-F320 PolarHBondContact N-O 3.11Å; I313-F320 PolarHBondContact O-N 2.91Å
314	H	86.6	Confident	86.2	Confident	149 Å²	149	48 Å²	48	69%	0.69	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95	115.7	169.2	-73.1	-102.1	0	0	0	109.7	Y318 I319	H314-Y318 CarbonylContact C-O 3.57Å; H314-Y318 WeakPolarHBondContact CA-O 3.39Å; H314-I319 VanDerWaalsContact CE1-CD1 3.49Å; H314-I319 WeakPolarHBondContact CE1-CD1 3.34Å; H314-I319 WeakPolarHBondContact CE1-CG1 3.48Å
315	F	88.2	Confident	86.4	Confident	10 Å²	10	47.8 Å²	47.8	4%	0.044	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	130.7	-176.7	-162	-105.1	0	0	0	111.3	H193 K201 F202 I313 G317 Y318 F320	H193-F315 WeakPolarHBondContact O-CZ 3.43Å; K201-F315 HydrophobicContact CD-CE2 4.34Å; F202-F315 WeakPolarHBondContact O-CE1 3.38Å; I313-F315 HydrophobicContact CD1-CB 4.24Å; F315-G317 PolarHBondContact O-N 3.35Å; F315-Y318 PolarHBondContact N-O 2.92Å; F315-Y318 PolarHBondContact O-N 2.75Å; F315-F320 HydrophobicContact CB-CD2 4.11Å; F315-F320 HydrophobicContact CB-CE2 4.29Å
316	V	87.8	Confident	86.9	Confident	4 Å²	4	42.9 Å²	42.9	2%	0.024	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.8	28.1	-176.2	-173.9	0	0	0	0	112.3	K201 R214 L216 Y318	K201-V316 HydrophobicContact CB-CG2 3.95Å; R214-V316 HydrophobicContact CB-CG1 3.57Å; L216-V316 HydrophobicContact CB-CG1 3.98Å; V316-Y318 VanDerWaalsContact O-CD2 3.23Å; V316-Y318 WeakPolarHBondContact O-CD2 3.08Å
317	G	83.8	Confident	87.4	Confident	57 Å²	57	42.6 Å²	42.6	59%	0.588	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.5	7.4	-178.8	0	0	0	0	0	115.8	F315	F315-G317 PolarHBondContact O-N 3.35Å
318	Y	88.7	Confident	87.8	Confident	68 Å²	68	42.3 Å²	42.3	27%	0.267	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	159.8	-179.6	-65.6	-98.5	0	0	0	111.4	R214 E233 H314 F315 V316	R214-Y318 VanDerWaalsContact CD-CD2 3.43Å; R214-Y318 VanDerWaalsContact NE-CE2 3.32Å; R214-Y318 VanDerWaalsContact NE-CZ 3.32Å; E233-Y318 PolarHBondContact OE2-OH 2.92Å; H314-Y318 CarbonylContact C-O 3.57Å; H314-Y318 WeakPolarHBondContact CA-O 3.39Å; F315-Y318 PolarHBondContact N-O 2.92Å; F315-Y318 PolarHBondContact O-N 2.75Å; V316-Y318 VanDerWaalsContact O-CD2 3.23Å; V316-Y318 WeakPolarHBondContact O-CD2 3.08Å
319	I	89	Confident	88.4	Confident	94 Å²	94	36.2 Å²	36.2	48%	0.482	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	128.3	178.3	-59.9	175.1	0	0	0	109	I313 H314 E321	I313-I319 CarbonylContact O-C 3.59Å; I313-I319 VanDerWaalsContact O-CA 3.31Å; I313-I319 WeakPolarHBondContact O-CA 3.49Å; H314-I319 VanDerWaalsContact CE1-CD1 3.49Å; H314-I319 WeakPolarHBondContact CE1-CD1 3.34Å; H314-I319 WeakPolarHBondContact CE1-CG1 3.48Å; I319-E321 HydrophobicContact CG2-CG 4.39Å
320	F	89	Confident	89.1	Confident	2 Å²	2	32.9 Å²	32.9	1%	0.009	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	131	172.8	-64.5	-79.9	0	0	0	110	L189 L306 S312 I313 F315	L189-F320 HydrophobicContact CB-CB 4.12Å; L189-F320 HydrophobicContact CB-CD1 3.82Å; L189-F320 HydrophobicContact CB-CE1 4.39Å; L189-F320 HydrophobicContact CB-CG 3.91Å; L189-F320 HydrophobicContact CD1-CD1 4.33Å; L189-F320 HydrophobicContact CD1-CD2 4.2Å; L189-F320 HydrophobicContact CD1-CE1 4.21Å; L189-F320 HydrophobicContact CD1-CE2 4.07Å; L189-F320 HydrophobicContact CD1-CG 4.32Å; L189-F320 HydrophobicContact CD1-CZ 4.06Å; L189-F320 HydrophobicContact CD2-CB 4.43Å; L189-F320 HydrophobicContact CD2-CD2 4.31Å; L189-F320 HydrophobicContact CD2-CG 4.31Å; L189-F320 HydrophobicContact CG-CG 4.42Å; L306-F320 WeakPolarHBondContact CD2-O 3.19Å; S312-F320 CarbonylContact C-O 3.6Å; S312-F320 VanDerWaalsContact CA-O 3.27Å; S312-F320 WeakPolarHBondContact CA-O 3.4Å; I313-F320 HydrophobicContact CG1-CB 4.15Å; I313-F320 PolarHBondContact N-O 3.11Å; I313-F320 PolarHBondContact O-N 2.91Å; F315-F320 HydrophobicContact CB-CD2 4.11Å; F315-F320 HydrophobicContact CB-CE2 4.29Å
321	E	86.5	Confident	90.1	Very high	97 Å²	97	31.7 Å²	31.7	45%	0.453	18%	0.178	S	C	.	.			trans	-110.3	-16.6	179.8	-43	-160.9	135.2	0	0	112.4	S312 I319	S312-E321 VanDerWaalsContact OG-CG 3.31Å; S312-E321 WeakPolarHBondContact OG-CG 3.22Å; S312-E321 PolarHBondContact OG-OE1 3Å; I319-E321 HydrophobicContact CG2-CG 4.39Å
322	Q	89.7	Confident	90.5	Very high	35 Å²	35	32.8 Å²	32.8	16%	0.164	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	135.4	-171.4	-59.3	-174.2	60.4	0	0	111.4	Q137 Y188 L189	Q137-Q322 VanDerWaalsContact NE2-OE1 3.08Å; Y188-Q322 WeakPolarHBondContact CA-O 3.41Å; Y188-Q322 HydrophobicContact CD1-CB 3.76Å; Y188-Q322 HydrophobicContact CE1-CB 4.06Å; Y188-Q322 VanDerWaalsContact CE1-OE1 3.31Å; L189-Q322 PolarHBondContact N-O 2.93Å
323	S	92.2	Very high	90.5	Very high	2 Å²	2	31 Å²	31	1%	0.014	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	149.4	166.9	-73.1	0	0	0	0	110.7	G301	G301-S323 CarbonylContact O-C 3.54Å; G301-S323 WeakPolarHBondContact O-CA 3.19Å; G301-S323 WeakPolarHBondContact O-CB 3.22Å
324	Y	96	Very high	90.2	Very high	1 Å²	1	32.3 Å²	32.3	0%	0.004	17%	0.168	C	C	.	.			trans	-56.2	139.2	166	167.6	-90.3	0	0	0	111.4	I135 I179 R180 P181 L189 L190 I206 G301 G326 C327	I135-Y324 HydrophobicContact CB-CD1 4.43Å; I179-Y324 HydrophobicContact CB-CE2 4.4Å; I179-Y324 HydrophobicContact CD1-CE2 4.19Å; R180-Y324 VanDerWaalsContact C-OH 3.3Å; R180-Y324 PolarHBondContact N-OH 2.78Å; R180-Y324 PolarHBondContact O-OH 2.89Å; P181-Y324 HydrophobicContact CB-CE2 3.83Å; L189-Y324 PolarHBondContact O-N 2.98Å; L190-Y324 HydrophobicContact CB-CD2 4.4Å; L190-Y324 HydrophobicContact CB-CG 4.39Å; L190-Y324 HydrophobicContact CD1-CD1 3.65Å; L190-Y324 HydrophobicContact CD1-CD2 3.66Å; L190-Y324 HydrophobicContact CD1-CE1 4.07Å; L190-Y324 HydrophobicContact CD1-CE2 4.05Å; L190-Y324 HydrophobicContact CD1-CG 3.43Å; L190-Y324 VanDerWaalsContact CD1-CG 3.43Å; L190-Y324 HydrophobicContact CG-CD2 4.39Å; L190-Y324 HydrophobicContact CG-CG 4.42Å; I206-Y324 HydrophobicContact CD1-CD2 3.88Å; I206-Y324 HydrophobicContact CD1-CE2 4.01Å; G301-Y324 PolarHBondContact O-N 2.86Å; Y324-G326 WeakPolarHBondContact OH-CA 3.32Å; Y324-C327 PolarHBondContact OH-N 2.53Å; Y324-C327 PolarHBondContact OH-O 2.91Å
325	S	95.5	Very high	89.9	Confident	10 Å²	10	30.7 Å²	30.7	7%	0.07	16%	0.16	C	C	.	.			trans	-124.9	129.7	170.9	-167	0	0	0	0	109.5	Y134 I135 Q137 S182	Y134-S325 PolarHBondContact OH-OG 2.67Å; I135-S325 CarbonylContact O-C 3.48Å; I135-S325 VanDerWaalsContact O-CA 3.25Å; I135-S325 WeakPolarHBondContact O-CA 3.12Å; I135-S325 PolarHBondContact O-OG 3.44Å; Q137-S325 PolarHBondContact N-OG 2.87Å; S182-S325 PolarHBondContact N-O 2.83Å
326	G	97.5	Very high	89.3	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	149.4	-177.7	-177.2	0	0	0	0	0	113.4	Y134 I135 R180 Y324	Y134-G326 WeakPolarHBondContact CA-O 3.33Å; I135-G326 PolarHBondContact N-O 3.43Å; I135-G326 PolarHBondContact O-N 3.31Å; R180-G326 WeakPolarHBondContact O-CA 3.4Å; Y324-G326 WeakPolarHBondContact OH-CA 3.32Å
327	C	97.7	Very high	89	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	142.6	177.9	-56.3	0	0	0	0	112.2	I179 R180 W245 Y324 C358	I179-C327 CarbonylContact C-O 3.44Å; I179-C327 VanDerWaalsContact CA-O 3.3Å; I179-C327 WeakPolarHBondContact CA-O 3.22Å; R180-C327 HydrophobicContact CB-CB 3.95Å; R180-C327 PolarHBondContact N-O 3.47Å; R180-C327 PolarHBondContact NH2-SG 2.97Å; R180-C327 PolarHBondContact O-N 3Å; W245-C327 HydrophobicContact CH2-CB 3.64Å; W245-C327 HydrophobicContact CZ2-CB 4.14Å; W245-C327 HydrophobicContact CZ3-CB 4.32Å; Y324-C327 PolarHBondContact OH-N 2.53Å; Y324-C327 PolarHBondContact OH-O 2.91Å; C327-C358 HydrophobicContact CB-CB 3.7Å; C327-C358 WeakPolarHBondContact CB-SG 3.47Å; C327-C358 WeakPolarHBondContact SG-CB 3.41Å; C327-C358 CovalentContact SG-SG 2Å; C327-C358 PolarHBondContact SG-SG 3.22Å
328	I	96.6	Very high	89	Confident	1 Å²	1	30.8 Å²	30.8	1%	0.005	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	137	171.8	-172	172.3	0	0	0	110.1	P133 I135 L177 E178 I179 F300 I331	P133-I328 WeakPolarHBondContact CD-O 3.4Å; P133-I328 HydrophobicContact CG-CG2 3.68Å; P133-I328 PolarHBondContact O-N 3.18Å; I135-I328 HydrophobicContact CD1-CG2 3.88Å; I135-I328 HydrophobicContact CG1-CG2 4.04Å; L177-I328 HydrophobicContact CD1-CD1 3.61Å; L177-I328 HydrophobicContact CD1-CG1 4.09Å; E178-I328 WeakPolarHBondContact O-CA 3.43Å; I179-I328 HydrophobicContact CG2-CG1 4.32Å; F300-I328 HydrophobicContact CB-CD1 3.87Å; F300-I328 HydrophobicContact CD1-CD1 3.58Å; F300-I328 HydrophobicContact CE1-CD1 4.47Å; F300-I328 HydrophobicContact CG-CD1 4.02Å; I328-I331 HydrophobicContact CD1-CD1 3.64Å; I328-I331 HydrophobicContact CD1-CG1 3.93Å; I328-I331 HydrophobicContact CG1-CD1 3.9Å; I328-I331 HydrophobicContact CG1-CG1 3.91Å
329	Q	94.1	Very high	88.8	Confident	16 Å²	16	28 Å²	28	8%	0.075	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	174.7	176	71.6	-173.1	10.4	0	0	111.3	F132 E178 W245 I331	F132-Q329 HydrophobicContact CD1-CB 4.02Å; E178-Q329 HydrophobicContact CB-CG 3.82Å; E178-Q329 PolarHBondContact N-O 3.42Å; E178-Q329 PolarHBondContact O-N 3.42Å; E178-Q329 PolarHBondContact OE2-NE2 2.74Å; W245-Q329 HydrophobicContact CH2-CB 4.5Å; W245-Q329 HydrophobicContact CH2-CG 3.79Å; W245-Q329 HydrophobicContact CZ3-CG 3.63Å; Q329-I331 PolarHBondContact O-N 2.82Å; Q329-I331 VanDerWaalsContact O-N 3.11Å
330	N	91.2	Very high	88.8	Confident	25 Å²	25	23.9 Å²	23.9	13%	0.134	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	53.6	34.5	174.3	-67.6	-19.5	0	0	0	114.2	E178 R332	E178-N330 HydrophobicContact CG-CB 4.28Å; E178-N330 PolarHBondContact OE1-ND2 2.8Å; E178-N330 PolarHBondContact OE2-ND2 2.79Å; E178-N330 VanDerWaalsContact OE2-ND2 3.1Å; N330-R332 PolarHBondContact O-N 2.65Å; N330-R332 PolarHBondContact O-NH1 2.94Å
331	I	91	Very high	88.8	Confident	4 Å²	4	24.3 Å²	24.3	2%	0.021	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	125.6	177.2	-54.7	172.8	0	0	0	108.7	D176 L177 F300 I328 Q329 P337 I338	D176-I331 CarbonylContact O-C 3.56Å; D176-I331 WeakPolarHBondContact O-CA 3.33Å; L177-I331 HydrophobicContact CB-CG1 4.27Å; F300-I331 HydrophobicContact CD1-CD1 4.33Å; F300-I331 HydrophobicContact CD2-CD1 4.47Å; F300-I331 HydrophobicContact CE1-CG2 3.8Å; F300-I331 HydrophobicContact CE2-CG2 3.9Å; F300-I331 HydrophobicContact CG-CD1 4.3Å; F300-I331 HydrophobicContact CZ-CG2 3.39Å; I328-I331 HydrophobicContact CD1-CD1 3.64Å; I328-I331 HydrophobicContact CD1-CG1 3.93Å; I328-I331 HydrophobicContact CG1-CD1 3.9Å; I328-I331 HydrophobicContact CG1-CG1 3.91Å; Q329-I331 PolarHBondContact O-N 2.82Å; Q329-I331 VanDerWaalsContact O-N 3.11Å; I331-P337 WeakPolarHBondContact O-CA 3.14Å; I331-I338 HydrophobicContact CB-CB 4.26Å; I331-I338 HydrophobicContact CG2-CB 4.09Å; I331-I338 HydrophobicContact CG2-CG1 4.24Å; I331-I338 PolarHBondContact O-N 2.88Å
332	R	86.9	Confident	88.7	Confident	47 Å²	47	24.7 Å²	24.7	18%	0.177	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	137.3	171.3	-54.8	-180	178.5	80.2	1.5	109.8	V175 D176 N330 V336 P337	V175-R332 WeakPolarHBondContact CA-O 3.38Å; D176-R332 HydrophobicContact CB-CB 4.21Å; D176-R332 PolarHBondContact N-O 2.96Å; D176-R332 PolarHBondContact O-N 3.23Å; N330-R332 PolarHBondContact O-N 2.65Å; N330-R332 PolarHBondContact O-NH1 2.94Å; R332-V336 CarbonylContact C-O 3.54Å; R332-V336 WeakPolarHBondContact CA-O 3.17Å; R332-P337 HydrophobicContact CG-CB 4.42Å
333	I	85.3	Confident	87.9	Confident	20 Å²	20	28 Å²	28	10%	0.103	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	117.7	171.1	-59.2	173.2	0	0	0	106.4	V298 E335 V336 I338	V298-I333 HydrophobicContact CG1-CD1 3.69Å; I333-E335 VanDerWaalsContact C-N 3.32Å; I333-E335 PolarHBondContact O-N 3.28Å; I333-V336 PolarHBondContact N-O 2.7Å; I333-V336 WeakPolarHBondContact O-CB 3.3Å; I333-V336 PolarHBondContact O-N 3.46Å; I333-I338 HydrophobicContact CD1-CD1 4.29Å; I333-I338 HydrophobicContact CD1-CG1 4.04Å; I333-I338 HydrophobicContact CG1-CG1 4.07Å
334	N	81	Confident	86.8	Confident	37 Å²	37	31.4 Å²	31.4	20%	0.198	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	51	51.1	-175.8	-60.6	-18.1	0	0	0	112	A149 Y173 K174 V336	A149-N334 PolarHBondContact O-ND2 3.34Å; Y173-N334 VanDerWaalsContact CA-OD1 3.24Å; Y173-N334 WeakPolarHBondContact CA-OD1 3.26Å; K174-N334 PolarHBondContact N-OD1 2.85Å; K174-N334 PolarHBondContact O-N 3.05Å; K174-N334 PolarHBondContact O-OD1 2.99Å; N334-V336 PolarHBondContact O-N 3.39Å
335	E	79.5	Confident	85.4	Confident	115 Å²	115	36.7 Å²	36.7	54%	0.537	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.1	-2.4	-177.2	-54.3	-62.7	147.7	0	0	115.4	K174 I333 P337	K174-E335 IonicContact NZ-OE1 2.85Å; K174-E335 PolarHBondContact NZ-OE1 2.96Å; I333-E335 VanDerWaalsContact C-N 3.32Å; I333-E335 PolarHBondContact O-N 3.28Å; E335-P337 WeakPolarHBondContact O-CD 3.08Å
336	V	76.7	Confident	84.4	Confident	35 Å²	35	36.6 Å²	36.6	21%	0.212	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	116.8	175.1	-179.9	0	0	0	0	109.8	I154 R332 I333 N334 Y548	I154-V336 HydrophobicContact CD1-CG2 3.4Å; R332-V336 CarbonylContact C-O 3.54Å; R332-V336 WeakPolarHBondContact CA-O 3.17Å; I333-V336 PolarHBondContact N-O 2.7Å; I333-V336 WeakPolarHBondContact O-CB 3.3Å; I333-V336 PolarHBondContact O-N 3.46Å; N334-V336 PolarHBondContact O-N 3.39Å; V336-Y548 WeakPolarHBondContact CG1-OH 3.35Å
337	P	80.2	Confident	83.6	Confident	16 Å²	16	37.5 Å²	37.5	10%	0.104	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64	144.1	173.5	-13.7	27.5	0	0	0	111.6	I331 R332 E335 Y548	I331-P337 WeakPolarHBondContact O-CA 3.14Å; R332-P337 HydrophobicContact CG-CB 4.42Å; E335-P337 WeakPolarHBondContact O-CD 3.08Å; P337-Y548 HydrophobicContact CB-CD1 4.11Å; P337-Y548 HydrophobicContact CB-CD2 3.72Å; P337-Y548 HydrophobicContact CB-CE2 4.38Å; P337-Y548 HydrophobicContact CB-CG 3.55Å; P337-Y548 VanDerWaalsContact CD-CD2 3.45Å; P337-Y548 VanDerWaalsContact CD-CE2 3.43Å; P337-Y548 HydrophobicContact CG-CD2 3.3Å; P337-Y548 HydrophobicContact CG-CE2 3.88Å; P337-Y548 HydrophobicContact CG-CG 3.71Å; P337-Y548 WeakPolarHBondContact O-CD1 3.19Å; P337-Y548 VanDerWaalsContact O-CE1 3.24Å; P337-Y548 WeakPolarHBondContact O-CE1 3.4Å
338	I	83.7	Confident	82.8	Confident	22 Å²	22	40.8 Å²	40.8	11%	0.113	21%	0.208	C	C	.	.			trans	-114	130	-179.8	-58.4	-59.6	0	0	0	108.7	F143 I331 I333 D348	F143-I338 HydrophobicContact CD1-CG2 3.31Å; F143-I338 HydrophobicContact CE1-CG2 3.22Å; F143-I338 HydrophobicContact CE2-CG2 4.44Å; F143-I338 HydrophobicContact CG-CG2 4Å; F143-I338 HydrophobicContact CZ-CG2 3.84Å; I331-I338 HydrophobicContact CB-CB 4.26Å; I331-I338 HydrophobicContact CG2-CB 4.09Å; I331-I338 HydrophobicContact CG2-CG1 4.24Å; I331-I338 PolarHBondContact O-N 2.88Å; I333-I338 HydrophobicContact CD1-CD1 4.29Å; I333-I338 HydrophobicContact CD1-CG1 4.04Å; I333-I338 HydrophobicContact CG1-CG1 4.07Å; I338-D348 HydrophobicContact CG2-CB 3.98Å
339	D	85.2	Confident	82.5	Confident	9 Å²	9	41 Å²	41	5%	0.048	21%	0.211	C	C	.	.			trans	-90.4	116.4	173.7	-177.2	-19.9	0	0	0	109.6	R341 D348	D339-R341 PolarHBondContact O-N 2.84Å; D339-R341 VanDerWaalsContact O-N 3.1Å; D339-R341 IonicContact OD1-CZ 3.16Å; D339-R341 PolarHBondContact OD1-N 2.84Å; D339-R341 IonicContact OD1-NE 2.65Å; D339-R341 PolarHBondContact OD1-NE 2.6Å; D339-R341 IonicContact OD1-NH2 3.65Å; D339-R341 PolarHBondContact OD1-NH2 2.76Å; D339-R341 IonicContact OD2-CZ 3.1Å; D339-R341 IonicContact OD2-NE 2.8Å; D339-R341 PolarHBondContact OD2-NE 3.34Å; D339-R341 IonicContact OD2-NH2 3.58Å; D339-R341 PolarHBondContact OD2-NH2 3.19Å; D339-D348 PolarHBondContact N-OD2 2.77Å; D339-D348 PolarHBondContact O-N 2.93Å
340	P	89.8	Confident	82.1	Confident	7 Å²	7	42.3 Å²	42.3	5%	0.045	22%	0.219	C	C	.	.			trans	-73.1	-3.1	-169.7	28.8	-35.4	0	0	0	115.1	I116 Q131 P133 L141 F143 A349	I116-P340 WeakPolarHBondContact CD1-O 3.41Å; Q131-P340 WeakPolarHBondContact O-CG 3.34Å; P133-P340 HydrophobicContact CG-CB 3.83Å; P133-P340 HydrophobicContact CG-CG 3.87Å; L141-P340 HydrophobicContact CD1-CB 3.7Å; F143-P340 HydrophobicContact CZ-CB 4.32Å; P340-A349 WeakPolarHBondContact O-CB 3.48Å
341	R	88.5	Confident	82.1	Confident	11 Å²	11	43 Å²	43	4%	0.042	22%	0.223	C	C	.	.			trans	-79.6	166.4	-179.6	-64.6	173	-71.6	179.4	-1	111.4	G129 Y130 D339 G347 D348 A349 N536	G129-R341 WeakPolarHBondContact O-CD 3.29Å; Y130-R341 WeakPolarHBondContact O-CG 3.48Å; D339-R341 PolarHBondContact O-N 2.84Å; D339-R341 VanDerWaalsContact O-N 3.1Å; D339-R341 IonicContact OD1-CZ 3.16Å; D339-R341 PolarHBondContact OD1-N 2.84Å; D339-R341 IonicContact OD1-NE 2.65Å; D339-R341 PolarHBondContact OD1-NE 2.6Å; D339-R341 IonicContact OD1-NH2 3.65Å; D339-R341 PolarHBondContact OD1-NH2 2.76Å; D339-R341 IonicContact OD2-CZ 3.1Å; D339-R341 IonicContact OD2-NE 2.8Å; D339-R341 PolarHBondContact OD2-NE 3.34Å; D339-R341 IonicContact OD2-NH2 3.58Å; D339-R341 PolarHBondContact OD2-NH2 3.19Å; R341-G347 CarbonylContact O-C 3.46Å; R341-G347 VanDerWaalsContact O-C 3.27Å; R341-G347 WeakPolarHBondContact O-CA 3.49Å; R341-D348 PolarHBondContact O-N 2.89Å; R341-A349 WeakPolarHBondContact O-CB 3.18Å; R341-A349 PolarHBondContact O-N 3.1Å; R341-N536 VanDerWaalsContact NH1-CG 3.32Å; R341-N536 PolarHBondContact NH1-ND2 2.71Å; R341-N536 PolarHBondContact NH1-OD1 3.12Å; R341-N536 VanDerWaalsContact NH1-OD1 3.09Å; R341-N536 PolarHBondContact NH2-OD1 3.03Å
342	R	83.3	Confident	82.2	Confident	106 Å²	106	42.8 Å²	42.8	40%	0.4	22%	0.222	S	C	.	.			trans	-130.8	102.2	172.5	-179.9	176.6	-176.1	-165.8	3.3	110.1	I116 A349 V350	I116-R342 HydrophobicContact CD1-CB 3.67Å; I116-R342 HydrophobicContact CG1-CB 4Å; I116-R342 HydrophobicContact CG2-CB 3.86Å; I116-R342 HydrophobicContact CG2-CG 4.32Å; R342-A349 HydrophobicContact CB-CB 4.31Å; R342-A349 VanDerWaalsContact CB-O 3.32Å; R342-A349 WeakPolarHBondContact CB-O 3.47Å; R342-A349 WeakPolarHBondContact CG-O 3.28Å; R342-V350 PolarHBondContact NE-O 2.85Å; R342-V350 PolarHBondContact NH1-O 2.67Å; R342-V350 PolarHBondContact NH2-O 3.01Å
343	K	74.7	Confident	82.6	Confident	104 Å²	104	41.6 Å²	41.6	45%	0.452	22%	0.218	S	C	.	.	B	Isolated β-bridge	trans	-155.3	153.5	173.1	171.1	174.3	-168.7	173.2	0	109.2	E128 F345 L346	E128-K343 IonicContact OE1-NZ 3.65Å; E128-K343 PolarHBondContact OE1-NZ 3.37Å; E128-K343 VanDerWaalsContact OE1-NZ 3.1Å; K343-F345 PolarHBondContact O-N 3.11Å; K343-F345 VanDerWaalsContact O-N 3.08Å; K343-L346 CarbonylContact C-O 3.48Å; K343-L346 WeakPolarHBondContact CA-O 3.44Å; K343-L346 HydrophobicContact CB-CB 3.95Å; K343-L346 HydrophobicContact CD-CB 4.39Å; K343-L346 HydrophobicContact CD-CD2 4Å; K343-L346 HydrophobicContact CG-CB 4.17Å; K343-L346 PolarHBondContact N-O 2.84Å; K343-L346 CarbonylContact O-C 3.41Å; K343-L346 PolarHBondContact O-N 2.91Å
344	A	69.1	Low	83	Confident	73 Å²	73	40.7 Å²	40.7	60%	0.603	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.7	122	179.2	0	0	0	0	0	110.3	L346 R449	A344-L346 PolarHBondContact O-N 3.1Å; A344-L346 VanDerWaalsContact O-N 3.11Å; A344-R449 PolarHBondContact O-NH2 3.48Å
345	F	66	Low	83.7	Confident	112 Å²	112	39.6 Å²	39.6	49%	0.491	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.9	-0.7	-175.6	-42.1	-82.5	0	0	0	115.9	K343 R449 R450 T540	K343-F345 PolarHBondContact O-N 3.11Å; K343-F345 VanDerWaalsContact O-N 3.08Å; F345-R449 PolarHBondContact O-NE 3.3Å; F345-R449 PolarHBondContact O-NH2 3.11Å; F345-R450 HydrophobicContact CE2-CG 4.42Å; F345-T540 HydrophobicContact CB-CG2 4.08Å
346	L	73.4	Confident	84.4	Confident	8 Å²	8	36.4 Å²	36.4	4%	0.042	20%	0.195	C	C	.	.	B	Isolated β-bridge	trans	-125.6	117.8	178.7	-174	58.8	0	0	0	110.1	K343 A344 R449 N536	K343-L346 CarbonylContact C-O 3.48Å; K343-L346 WeakPolarHBondContact CA-O 3.44Å; K343-L346 HydrophobicContact CB-CB 3.95Å; K343-L346 HydrophobicContact CD-CB 4.39Å; K343-L346 HydrophobicContact CD-CD2 4Å; K343-L346 HydrophobicContact CG-CB 4.17Å; K343-L346 PolarHBondContact N-O 2.84Å; K343-L346 CarbonylContact O-C 3.41Å; K343-L346 PolarHBondContact O-N 2.91Å; A344-L346 PolarHBondContact O-N 3.1Å; A344-L346 VanDerWaalsContact O-N 3.11Å; L346-R449 VanDerWaalsContact CB-NH1 3.32Å; L346-N536 HydrophobicContact CD1-CB 3.94Å; L346-N536 WeakPolarHBondContact CD1-OD1 3.08Å; L346-N536 HydrophobicContact CD2-CB 4.32Å
347	G	80.5	Confident	85.2	Confident	20 Å²	20	36.6 Å²	36.6	21%	0.206	20%	0.195	C	C	.	.			trans	86.2	152	179.3	0	0	0	0	0	113	R341	R341-G347 CarbonylContact O-C 3.46Å; R341-G347 VanDerWaalsContact O-C 3.27Å; R341-G347 WeakPolarHBondContact O-CA 3.49Å
348	D	82.8	Confident	85.9	Confident	69 Å²	69	36.4 Å²	36.4	37%	0.369	19%	0.194	S	C	.	.			trans	-111.4	-6.5	-174.1	-57.5	-51.4	0	0	0	111.7	F143 I338 D339 R341	F143-D348 HydrophobicContact CD1-CB 4.08Å; F143-D348 WeakPolarHBondContact CD1-O 3.37Å; F143-D348 HydrophobicContact CE1-CB 4.39Å; I338-D348 HydrophobicContact CG2-CB 3.98Å; D339-D348 PolarHBondContact N-OD2 2.77Å; D339-D348 PolarHBondContact O-N 2.93Å; R341-D348 PolarHBondContact O-N 2.89Å
349	A	88.7	Confident	86.3	Confident	6 Å²	6	35.6 Å²	35.6	5%	0.05	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	134.7	178.9	0	0	0	0	0	110.2	I116 L141 K142 F143 P340 R341 R342	I116-A349 HydrophobicContact CD1-CB 4.04Å; L141-A349 HydrophobicContact CD2-CB 4.31Å; K142-A349 WeakPolarHBondContact O-CA 3.35Å; F143-A349 HydrophobicContact CD1-CB 4.16Å; F143-A349 VanDerWaalsContact CE1-CA 3.49Å; F143-A349 HydrophobicContact CE1-CB 3.59Å; F143-A349 HydrophobicContact CZ-CB 4.06Å; P340-A349 WeakPolarHBondContact O-CB 3.48Å; R341-A349 WeakPolarHBondContact O-CB 3.18Å; R341-A349 PolarHBondContact O-N 3.1Å; R342-A349 HydrophobicContact CB-CB 4.31Å; R342-A349 VanDerWaalsContact CB-O 3.32Å; R342-A349 WeakPolarHBondContact CB-O 3.47Å; R342-A349 WeakPolarHBondContact CG-O 3.28Å
350	V	87.4	Confident	86.6	Confident	42 Å²	42	43.3 Å²	43.3	26%	0.255	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	-19.8	-178.2	-59.8	0	0	0	0	112	K142 Y144 R342	K142-V350 HydrophobicContact CB-CG2 4.35Å; K142-V350 HydrophobicContact CD-CG2 4.4Å; K142-V350 HydrophobicContact CG-CG2 4.07Å; K142-V350 VanDerWaalsContact O-CG2 3.31Å; K142-V350 WeakPolarHBondContact O-CG2 3.13Å; K142-V350 PolarHBondContact O-N 2.96Å; Y144-V350 HydrophobicContact CD2-CB 3.95Å; Y144-V350 HydrophobicContact CD2-CG1 3.69Å; Y144-V350 HydrophobicContact CD2-CG2 3.69Å; Y144-V350 HydrophobicContact CE2-CB 4.14Å; Y144-V350 HydrophobicContact CE2-CG1 4.36Å; Y144-V350 HydrophobicContact CE2-CG2 3.79Å; Y144-V350 HydrophobicContact CG-CG1 4.42Å; Y144-V350 HydrophobicContact CG-CG2 4.22Å; R342-V350 PolarHBondContact NE-O 2.85Å; R342-V350 PolarHBondContact NH1-O 2.67Å; R342-V350 PolarHBondContact NH2-O 3.01Å
351	D	89.6	Confident	86.7	Confident	39 Å²	39	43.7 Å²	43.7	21%	0.209	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	160.3	177	-174.7	29.2	0	0	0	109.6	Y140 K142	Y140-D351 HydrophobicContact CE2-CB 4.47Å; Y140-D351 PolarHBondContact OH-OD2 3.18Å; K142-D351 HydrophobicContact CB-CB 4.04Å; K142-D351 HydrophobicContact CD-CB 4.22Å; K142-D351 PolarHBondContact N-O 3Å
352	G	93.7	Very high	86.9	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168.5	155.2	176	0	0	0	0	0	113.6	P115 I116 Y140	P115-G352 CarbonylContact C-O 3.6Å; P115-G352 VanDerWaalsContact CA-O 3.3Å; P115-G352 WeakPolarHBondContact CA-O 3.39Å; I116-G352 PolarHBondContact N-O 3.34Å; Y140-G352 CarbonylContact O-C 3.52Å; Y140-G352 WeakPolarHBondContact O-CA 3.38Å
353	Y	95.3	Very high	87.4	Confident	23 Å²	23	42.2 Å²	42.2	9%	0.09	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	150.4	-178.8	-79.9	-94.5	0	0	0	111.2	Q98 Q100 L113 C114 P115 G139 Y140 T307 I355	Q98-Y353 PolarHBondContact O-OH 2.88Å; Q100-Y353 HydrophobicContact CB-CD1 4.34Å; Q100-Y353 HydrophobicContact CB-CE1 4.34Å; Q100-Y353 HydrophobicContact CG-CD1 3.81Å; Q100-Y353 HydrophobicContact CG-CE1 3.46Å; Q100-Y353 VanDerWaalsContact CG-CE1 3.46Å; L113-Y353 WeakPolarHBondContact O-CD1 3.47Å; C114-Y353 CarbonylContact O-C 3.59Å; C114-Y353 VanDerWaalsContact O-CA 3.24Å; C114-Y353 WeakPolarHBondContact O-CA 3.35Å; P115-Y353 HydrophobicContact CB-CD1 4.15Å; P115-Y353 HydrophobicContact CB-CE1 3.67Å; P115-Y353 HydrophobicContact CB-CE2 4.42Å; P115-Y353 HydrophobicContact CG-CE1 4.08Å; G139-Y353 CarbonylContact C-O 3.53Å; G139-Y353 WeakPolarHBondContact CA-O 3.33Å; Y140-Y353 AromaticContact CE1-CD2 3.78Å; Y140-Y353 HydrophobicContact CE1-CD2 3.78Å; Y140-Y353 HydrophobicContact CE1-CG 4.42Å; Y140-Y353 AromaticContact CZ-CD2 3.88Å; Y140-Y353 PolarHBondContact N-O 3.46Å; Y140-Y353 PolarHBondContact O-N 3.35Å; T307-Y353 HydrophobicContact CG2-CG 4.14Å; Y353-I355 WeakPolarHBondContact O-CD1 3.29Å
354	G	95	Very high	88.3	Confident	0 Å²	0	44 Å²	44	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	66.5	45.3	173.1	0	0	0	0	0	113.1	C114 E136	C114-G354 PolarHBondContact O-N 3.39Å; E136-G354 WeakPolarHBondContact CB-O 3.36Å; E136-G354 WeakPolarHBondContact CG-O 3.39Å; E136-G354 PolarHBondContact N-O 2.66Å; E136-G354 WeakPolarHBondContact OE2-CA 3.28Å
355	I	95.4	Very high	89.5	Confident	14 Å²	14	48.9 Å²	48.9	7%	0.072	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	122.2	-176.6	-50.1	-58.2	0	0	0	109.4	Y130 P133 Y134 I135 L141 Y353	Y130-I355 HydrophobicContact CD2-CG2 4.23Å; Y130-I355 WeakPolarHBondContact CE2-O 3.02Å; P133-I355 HydrophobicContact CB-CG2 3.56Å; Y134-I355 WeakPolarHBondContact O-CA 3.26Å; I135-I355 HydrophobicContact CG1-CD1 3.95Å; I135-I355 HydrophobicContact CG2-CD1 4.44Å; L141-I355 HydrophobicContact CD1-CD1 4.3Å; L141-I355 HydrophobicContact CD2-CD1 3.83Å; L141-I355 HydrophobicContact CD2-CG1 3.76Å; L141-I355 HydrophobicContact CG-CD1 3.64Å; L141-I355 HydrophobicContact CG-CG1 4.16Å; Y353-I355 WeakPolarHBondContact O-CD1 3.29Å
356	T	93.9	Very high	90.8	Very high	49 Å²	49	46.5 Å²	46.5	30%	0.301	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	178	177.8	63.5	0	0	0	0	111.1	Y130 P133 Y134 E136	Y130-T356 WeakPolarHBondContact CD2-O 3.32Å; Y130-T356 VanDerWaalsContact CE2-C 3.5Å; Y130-T356 VanDerWaalsContact CE2-CA 3.41Å; P133-T356 CarbonylContact C-O 3.59Å; P133-T356 WeakPolarHBondContact CA-O 3.34Å; Y134-T356 WeakPolarHBondContact CB-OG1 3.22Å; Y134-T356 PolarHBondContact N-O 2.77Å; Y134-T356 PolarHBondContact O-N 3.45Å; E136-T356 HydrophobicContact CG-CG2 4.23Å
357	N	93.4	Very high	91.8	Very high	39 Å²	39	52.7 Å²	52.7	21%	0.209	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	116.9	177.6	-170.5	-5.2	0	0	0	111.4	Y130 G359 F360 Q376	Y130-N357 HydrophobicContact CD1-CB 3.49Å; Y130-N357 VanDerWaalsContact CD1-CB 3.49Å; Y130-N357 HydrophobicContact CE1-CB 3.71Å; Y130-N357 HydrophobicContact CG-CB 3.99Å; N357-G359 PolarHBondContact O-N 3.3Å; N357-G359 PolarHBondContact OD1-N 2.9Å; N357-F360 HydrophobicContact CB-CB 4.42Å; N357-F360 VanDerWaalsContact O-CB 3.32Å; N357-F360 WeakPolarHBondContact O-CB 3.38Å; N357-F360 PolarHBondContact O-N 3.45Å; N357-F360 VanDerWaalsContact O-N 3.13Å; N357-Q376 PolarHBondContact ND2-OE1 2.9Å; N357-Q376 PolarHBondContact OD1-NE2 3.36Å; N357-Q376 PolarHBondContact OD1-OE1 3.35Å; N357-Q376 VanDerWaalsContact OD1-OE1 3.09Å
358	C	95.1	Very high	92.6	Very high	12 Å²	12	53.3 Å²	53.3	8%	0.081	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-31.6	173.8	171.6	0	0	0	0	113.5	F132 C327 F360 G379	F132-C358 WeakPolarHBondContact O-CB 3.17Å; F132-C358 PolarHBondContact O-N 2.68Å; C327-C358 HydrophobicContact CB-CB 3.7Å; C327-C358 WeakPolarHBondContact CB-SG 3.47Å; C327-C358 WeakPolarHBondContact SG-CB 3.41Å; C327-C358 CovalentContact SG-SG 2Å; C327-C358 PolarHBondContact SG-SG 3.22Å; C358-F360 VanDerWaalsContact C-N 3.32Å; C358-F360 PolarHBondContact O-N 2.91Å; C358-G379 VanDerWaalsContact SG-C 3.6Å; C358-G379 WeakPolarHBondContact SG-CA 3.42Å; C358-G379 PolarHBondContact SG-O 3.25Å
359	G	91.6	Very high	93.3	Very high	4 Å²	4	54.8 Å²	54.8	4%	0.041	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	18.8	178.4	0	0	0	0	0	114.6	N357 G361 L362 Q376	N357-G359 PolarHBondContact O-N 3.3Å; N357-G359 PolarHBondContact OD1-N 2.9Å; G359-G361 PolarHBondContact O-N 2.8Å; G359-L362 VanDerWaalsContact CA-CD1 3.47Å; G359-L362 WeakPolarHBondContact O-CB 3.12Å; G359-L362 VanDerWaalsContact O-CG 3.31Å; G359-L362 WeakPolarHBondContact O-CG 3.15Å; G359-L362 PolarHBondContact O-N 2.8Å; G359-L362 VanDerWaalsContact O-N 3.13Å; G359-Q376 VanDerWaalsContact CA-NE2 3.28Å
360	F	90.9	Very high	93.6	Very high	172 Å²	172	57.2 Å²	57.2	75%	0.754	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	132.4	174.6	-175.1	-95.8	0	0	0	111.3	N357 C358 L362	N357-F360 HydrophobicContact CB-CB 4.42Å; N357-F360 VanDerWaalsContact O-CB 3.32Å; N357-F360 WeakPolarHBondContact O-CB 3.38Å; N357-F360 PolarHBondContact O-N 3.45Å; N357-F360 VanDerWaalsContact O-N 3.13Å; C358-F360 VanDerWaalsContact C-N 3.32Å; C358-F360 PolarHBondContact O-N 2.91Å; F360-L362 VanDerWaalsContact C-N 3.28Å; F360-L362 PolarHBondContact O-N 3.29Å
361	G	91.6	Very high	93.9	Very high	15 Å²	15	63.2 Å²	63.2	16%	0.155	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.1	-8.1	179.3	0	0	0	0	0	115.3	G359 E364 K365	G359-G361 PolarHBondContact O-N 2.8Å; G361-E364 WeakPolarHBondContact CA-OE2 3.34Å; G361-E364 PolarHBondContact N-OE2 2.85Å; G361-K365 WeakPolarHBondContact O-CG 3.22Å; G361-K365 PolarHBondContact O-N 2.84Å
362	L	93.8	Very high	94.2	Very high	43 Å²	43	62 Å²	62	23%	0.225	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-38.9	-176.7	-67.1	179.7	0	0	0	112.3	G359 F360 E364 K366 V382	G359-L362 VanDerWaalsContact CA-CD1 3.47Å; G359-L362 WeakPolarHBondContact O-CB 3.12Å; G359-L362 VanDerWaalsContact O-CG 3.31Å; G359-L362 WeakPolarHBondContact O-CG 3.15Å; G359-L362 PolarHBondContact O-N 2.8Å; G359-L362 VanDerWaalsContact O-N 3.13Å; F360-L362 VanDerWaalsContact C-N 3.28Å; F360-L362 PolarHBondContact O-N 3.29Å; L362-E364 PolarHBondContact N-OE2 3.17Å; L362-K366 WeakPolarHBondContact O-CB 3.34Å; L362-K366 PolarHBondContact O-N 2.95Å; L362-V382 HydrophobicContact CB-CG1 3.44Å; L362-V382 VanDerWaalsContact CB-CG1 3.44Å; L362-V382 HydrophobicContact CB-CG2 4.47Å; L362-V382 HydrophobicContact CD1-CG1 4.11Å; L362-V382 HydrophobicContact CG-CG1 4.43Å
363	C	93.8	Very high	94.2	Very high	42 Å²	42	65.5 Å²	65.5	28%	0.284	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-31	-179.7	-82.3	0	0	0	0	112.5	K365 K366 C374	C363-K365 PolarHBondContact O-N 3.37Å; C363-K366 PolarHBondContact O-N 2.98Å; C363-K366 VanDerWaalsContact O-N 3.1Å; C363-C374 WeakPolarHBondContact CA-SG 3.39Å; C363-C374 HydrophobicContact CB-CB 3.61Å; C363-C374 WeakPolarHBondContact CB-SG 3.29Å; C363-C374 WeakPolarHBondContact SG-CB 3.34Å; C363-C374 CovalentContact SG-SG 2.05Å; C363-C374 PolarHBondContact SG-SG 2.99Å
364	E	93.2	Very high	94.1	Very high	142 Å²	142	66.1 Å²	66.1	66%	0.664	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-31.8	174.4	-63.9	82.4	170.4	0	0	111.5	G361 L362	G361-E364 WeakPolarHBondContact CA-OE2 3.34Å; G361-E364 PolarHBondContact N-OE2 2.85Å; L362-E364 PolarHBondContact N-OE2 3.17Å
365	K	93.8	Very high	93.9	Very high	176 Å²	176	68.5 Å²	68.5	77%	0.765	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-16.3	174.1	-68.6	172.8	-175.9	174	0	113.3	G361 C363	G361-K365 WeakPolarHBondContact O-CG 3.22Å; G361-K365 PolarHBondContact O-N 2.84Å; C363-K365 PolarHBondContact O-N 3.37Å
366	K	94.6	Very high	93.6	Very high	62 Å²	62	69.5 Å²	69.5	27%	0.27	36%	0.359	S	S	.	.			trans	-92.5	109.9	-174.3	-176.4	70.1	178.9	-175.2	0	110.6	L362 C363 C368 V382 C384	L362-K366 WeakPolarHBondContact O-CB 3.34Å; L362-K366 PolarHBondContact O-N 2.95Å; C363-K366 PolarHBondContact O-N 2.98Å; C363-K366 VanDerWaalsContact O-N 3.1Å; K366-C368 PolarHBondContact O-N 3.38Å; K366-V382 HydrophobicContact CB-CG2 3.8Å; K366-V382 HydrophobicContact CD-CG2 4Å; K366-V382 HydrophobicContact CG-CG2 3.82Å; K366-C384 WeakPolarHBondContact CE-SG 3.4Å
367	E	94.4	Very high	93.3	Very high	138 Å²	138	68.2 Å²	68.2	65%	0.645	35%	0.352	S	S	*	.			trans	-77.7	101.6	173.9	-66.5	179.7	-179.2	0	0	111.3	Q394	E367-Q394 WeakPolarHBondContact O-CB 3.42Å; E367-Q394 WeakPolarHBondContact O-CG 3.34Å; E367-Q394 PolarHBondContact O-NE2 2.63Å
368	C	97	Very high	93.1	Very high	32 Å²	32	67.2 Å²	67.2	22%	0.216	35%	0.348	C	S	.	.			trans	-98.1	127	169.8	-60.9	0	0	0	0	110	K366 A372 C384	K366-C368 PolarHBondContact O-N 3.38Å; C368-A372 HydrophobicContact CB-CB 3.93Å; C368-A372 WeakPolarHBondContact CB-O 3.49Å; C368-C384 WeakPolarHBondContact CA-SG 3.49Å; C368-C384 HydrophobicContact CB-CB 3.8Å; C368-C384 WeakPolarHBondContact CB-SG 3.26Å; C368-C384 WeakPolarHBondContact SG-CA 3.33Å; C368-C384 WeakPolarHBondContact SG-CB 3.37Å; C368-C384 CovalentContact SG-SG 2.04Å; C368-C384 PolarHBondContact SG-SG 2.76Å
369	K	96.6	Very high	92.9	Very high	100 Å²	100	66.7 Å²	66.7	44%	0.435	34%	0.344	S	S	.	.			trans	-93	174.2	-177.5	-57.3	-165.1	-172.8	175.9	0	111.5	N371 A372 Q394 E396	K369-N371 VanDerWaalsContact C-N 3.27Å; K369-N371 PolarHBondContact O-N 2.67Å; K369-A372 WeakPolarHBondContact O-CB 3.33Å; K369-A372 PolarHBondContact O-N 3.14Å; K369-Q394 WeakPolarHBondContact CA-O 3.29Å; K369-Q394 WeakPolarHBondContact CB-O 3.4Å; K369-Q394 HydrophobicContact CG-CB 4.32Å; K369-Q394 PolarHBondContact N-O 2.81Å; K369-E396 HydrophobicContact CD-CB 3.79Å; K369-E396 HydrophobicContact CG-CB 4.5Å
370	N	95.5	Very high	93	Very high	58 Å²	58	68.6 Å²	68.6	31%	0.31	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.8	40.1	176.6	-66.5	-46.3	0	0	0	113.8	A372 T390 C395	N370-A372 PolarHBondContact O-N 3.2Å; N370-T390 HydrophobicContact CB-CG2 3.83Å; N370-C395 PolarHBondContact ND2-O 2.85Å
371	N	93.1	Very high	93	Very high	167 Å²	167	62.8 Å²	62.8	89%	0.893	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.4	25	-177.5	-59.9	-18.5	0	0	0	114.2	K369	K369-N371 VanDerWaalsContact C-N 3.27Å; K369-N371 PolarHBondContact O-N 2.67Å
372	A	95.8	Very high	93	Very high	15 Å²	15	63.3 Å²	63.3	12%	0.124	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-68.8	141.9	174.4	0	0	0	0	0	111.4	C368 K369 N370 Q385 C395	C368-A372 HydrophobicContact CB-CB 3.93Å; C368-A372 WeakPolarHBondContact CB-O 3.49Å; K369-A372 WeakPolarHBondContact O-CB 3.33Å; K369-A372 PolarHBondContact O-N 3.14Å; N370-A372 PolarHBondContact O-N 3.2Å; A372-Q385 WeakPolarHBondContact CB-O 3.49Å; A372-C395 HydrophobicContact CB-CB 3.88Å; A372-C395 VanDerWaalsContact CB-SG 3.53Å
373	S	94.4	Very high	92.9	Very high	72 Å²	72	63.6 Å²	63.6	50%	0.503	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	155.6	174	-65.3	0	0	0	0	110.8	Q385	S373-Q385 PolarHBondContact O-N 3.21Å
374	C	93.8	Very high	93	Very high	36 Å²	36	62 Å²	62	24%	0.243	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	132.4	173.6	175.3	0	0	0	0	110.1	C363	C363-C374 WeakPolarHBondContact CA-SG 3.39Å; C363-C374 HydrophobicContact CB-CB 3.61Å; C363-C374 WeakPolarHBondContact CB-SG 3.29Å; C363-C374 WeakPolarHBondContact SG-CB 3.34Å; C363-C374 CovalentContact SG-SG 2.05Å; C363-C374 PolarHBondContact SG-SG 2.99Å
375	L	89.7	Confident	93.1	Very high	50 Å²	50	56.8 Å²	56.8	26%	0.262	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	125.8	177.1	178.4	67	0	0	0	110	T377 V382 I383 Q385 L552	L375-T377 PolarHBondContact O-N 3.05Å; L375-V382 CarbonylContact O-C 3.56Å; L375-V382 VanDerWaalsContact O-CA 3.22Å; L375-V382 WeakPolarHBondContact O-CA 3.18Å; L375-I383 HydrophobicContact CB-CG1 4.23Å; L375-I383 PolarHBondContact N-O 3.29Å; L375-I383 PolarHBondContact O-N 2.82Å; L375-Q385 HydrophobicContact CB-CG 3.78Å; L375-Q385 HydrophobicContact CD2-CG 4.43Å; L375-L552 HydrophobicContact CD1-CD2 4.38Å; L375-L552 HydrophobicContact CD2-CD2 3.81Å; L375-L552 HydrophobicContact CG-CD2 4.13Å
376	Q	89.2	Confident	93.2	Very high	35 Å²	35	48.7 Å²	48.7	16%	0.164	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	122.4	170.1	-174.9	-178.3	-10.9	0	0	110.6	F132 N357 G359 S378 V382	F132-Q376 HydrophobicContact CD2-CG 3.95Å; F132-Q376 HydrophobicContact CE2-CG 4.34Å; N357-Q376 PolarHBondContact ND2-OE1 2.9Å; N357-Q376 PolarHBondContact OD1-NE2 3.36Å; N357-Q376 PolarHBondContact OD1-OE1 3.35Å; N357-Q376 VanDerWaalsContact OD1-OE1 3.09Å; G359-Q376 VanDerWaalsContact CA-NE2 3.28Å; Q376-S378 WeakPolarHBondContact CG-O 3.48Å; Q376-S378 PolarHBondContact NE2-O 3.27Å; Q376-V382 HydrophobicContact CB-CG1 4.27Å
377	T	87.5	Confident	93.3	Very high	23 Å²	23	47.7 Å²	47.7	14%	0.141	27%	0.269	C	S	.	.			trans	-105.4	-14.8	-178.8	48.1	0	0	0	0	114.1	F132 L375 S381 I383 L552	F132-T377 VanDerWaalsContact CZ-O 3.32Å; F132-T377 WeakPolarHBondContact CZ-O 3.29Å; L375-T377 PolarHBondContact O-N 3.05Å; T377-S381 PolarHBondContact N-O 3.34Å; T377-S381 VanDerWaalsContact OG1-C 3.31Å; T377-S381 WeakPolarHBondContact OG1-CB 3.22Å; T377-S381 PolarHBondContact OG1-O 2.87Å; T377-S381 VanDerWaalsContact OG1-O 3.1Å; T377-S381 PolarHBondContact OG1-OG 3.38Å; T377-I383 HydrophobicContact CG2-CB 4.41Å; T377-I383 HydrophobicContact CG2-CD1 3.78Å; T377-I383 HydrophobicContact CG2-CG1 3.73Å; T377-I383 HydrophobicContact CG2-CG2 3.98Å; T377-L552 VanDerWaalsContact CA-CD1 3.41Å; T377-L552 HydrophobicContact CG2-CD1 4.31Å; T377-L552 HydrophobicContact CG2-CD2 4.29Å; T377-L552 WeakPolarHBondContact O-CD1 3.28Å
378	S	90.2	Very high	93.3	Very high	18 Å²	18	43.6 Å²	43.6	13%	0.126	25%	0.251	C	S	.	.	S	Bend	trans	-159.1	-176.6	171.7	71.2	0	0	0	0	109.7	Q376 S380 S381	Q376-S378 WeakPolarHBondContact CG-O 3.48Å; Q376-S378 PolarHBondContact NE2-O 3.27Å; S378-S380 PolarHBondContact O-N 3.17Å; S378-S380 VanDerWaalsContact O-N 3.07Å; S378-S380 PolarHBondContact OG-N 3.38Å; S378-S381 WeakPolarHBondContact CB-OG 3.23Å; S378-S381 PolarHBondContact N-O 2.81Å; S378-S381 PolarHBondContact N-OG 3.01Å; S378-S381 WeakPolarHBondContact OG-CB 3.06Å; S378-S381 PolarHBondContact OG-N 2.91Å; S378-S381 PolarHBondContact OG-OG 2.95Å
379	G	91.1	Very high	93.1	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	25%	0.251	C	S	.	.	S	Bend	trans	-61.5	-7.8	167.5	0	0	0	0	0	114.7	C358	C358-G379 VanDerWaalsContact SG-C 3.6Å; C358-G379 WeakPolarHBondContact SG-CA 3.42Å; C358-G379 PolarHBondContact SG-O 3.25Å
380	S	92	Very high	93.1	Very high	45 Å²	45	38.9 Å²	38.9	32%	0.315	23%	0.234	S	C	.	.	S	Bend	trans	-141.2	-1.2	-177.9	-63.5	0	0	0	0	115.4	R180 W245 S378	R180-S380 PolarHBondContact NH1-OG 3.45Å; W245-S380 PolarHBondContact NE1-OG 3.26Å; S378-S380 PolarHBondContact O-N 3.17Å; S378-S380 VanDerWaalsContact O-N 3.07Å; S378-S380 PolarHBondContact OG-N 3.38Å
381	S	91.2	Very high	93.1	Very high	49 Å²	49	36.8 Å²	36.8	34%	0.343	22%	0.224	S	C	.	.			trans	-126.8	141.9	-177	64.4	0	0	0	0	111.2	T377 S378	T377-S381 PolarHBondContact N-O 3.34Å; T377-S381 VanDerWaalsContact OG1-C 3.31Å; T377-S381 WeakPolarHBondContact OG1-CB 3.22Å; T377-S381 PolarHBondContact OG1-O 2.87Å; T377-S381 VanDerWaalsContact OG1-O 3.1Å; T377-S381 PolarHBondContact OG1-OG 3.38Å; S378-S381 WeakPolarHBondContact CB-OG 3.23Å; S378-S381 PolarHBondContact N-O 2.81Å; S378-S381 PolarHBondContact N-OG 3.01Å; S378-S381 WeakPolarHBondContact OG-CB 3.06Å; S378-S381 PolarHBondContact OG-N 2.91Å; S378-S381 PolarHBondContact OG-OG 2.95Å
382	V	92.2	Very high	93.2	Very high	27 Å²	27	30.4 Å²	30.4	16%	0.164	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	150.6	173.3	-65	0	0	0	0	109	L362 K366 L375 Q376	L362-V382 HydrophobicContact CB-CG1 3.44Å; L362-V382 VanDerWaalsContact CB-CG1 3.44Å; L362-V382 HydrophobicContact CB-CG2 4.47Å; L362-V382 HydrophobicContact CD1-CG1 4.11Å; L362-V382 HydrophobicContact CG-CG1 4.43Å; K366-V382 HydrophobicContact CB-CG2 3.8Å; K366-V382 HydrophobicContact CD-CG2 4Å; K366-V382 HydrophobicContact CG-CG2 3.82Å; L375-V382 CarbonylContact O-C 3.56Å; L375-V382 VanDerWaalsContact O-CA 3.22Å; L375-V382 WeakPolarHBondContact O-CA 3.18Å; Q376-V382 HydrophobicContact CB-CG1 4.27Å
383	I	92.1	Very high	93.1	Very high	49 Å²	49	37.6 Å²	37.6	25%	0.251	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	151.3	173.2	66.9	176	0	0	0	109.9	L375 T377 Y409	L375-I383 HydrophobicContact CB-CG1 4.23Å; L375-I383 PolarHBondContact N-O 3.29Å; L375-I383 PolarHBondContact O-N 2.82Å; T377-I383 HydrophobicContact CG2-CB 4.41Å; T377-I383 HydrophobicContact CG2-CD1 3.78Å; T377-I383 HydrophobicContact CG2-CG1 3.73Å; T377-I383 HydrophobicContact CG2-CG2 3.98Å; I383-Y409 HydrophobicContact CD1-CD1 4.34Å; I383-Y409 HydrophobicContact CD1-CG 4.38Å
384	C	95.6	Very high	93.2	Very high	8 Å²	8	36.9 Å²	36.9	5%	0.054	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	132.8	167.8	-62.5	0	0	0	0	109.4	K366 C368 C386 C395 N581	K366-C384 WeakPolarHBondContact CE-SG 3.4Å; C368-C384 WeakPolarHBondContact CA-SG 3.49Å; C368-C384 HydrophobicContact CB-CB 3.8Å; C368-C384 WeakPolarHBondContact CB-SG 3.26Å; C368-C384 WeakPolarHBondContact SG-CA 3.33Å; C368-C384 WeakPolarHBondContact SG-CB 3.37Å; C368-C384 CovalentContact SG-SG 2.04Å; C368-C384 PolarHBondContact SG-SG 2.76Å; C384-C386 PolarHBondContact O-N 2.91Å; C384-C395 WeakPolarHBondContact CB-SG 3.41Å; C384-N581 PolarHBondContact O-OD1 3.48Å
385	Q	94.7	Very high	93.3	Very high	32 Å²	32	35.2 Å²	35.2	15%	0.15	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	92.4	172.6	-69.3	-175.7	-57.6	0	0	108.5	A372 S373 L375 P387 V580	A372-Q385 WeakPolarHBondContact CB-O 3.49Å; S373-Q385 PolarHBondContact O-N 3.21Å; L375-Q385 HydrophobicContact CB-CG 3.78Å; L375-Q385 HydrophobicContact CD2-CG 4.43Å; Q385-P387 WeakPolarHBondContact O-CD 3.41Å; Q385-V580 HydrophobicContact CB-CG1 3.6Å; Q385-V580 HydrophobicContact CB-CG2 4.15Å; Q385-V580 HydrophobicContact CG-CG1 4.03Å
386	C	96.4	Very high	93.7	Very high	6 Å²	6	36.1 Å²	36.1	4%	0.041	21%	0.209	C	C	.	.			trans	-72.4	116.9	-173.7	-59.7	0	0	0	0	111	C384 C395 V580 N581	C384-C386 PolarHBondContact O-N 2.91Å; C386-C395 WeakPolarHBondContact CA-SG 3.16Å; C386-C395 HydrophobicContact CB-CB 3.66Å; C386-C395 WeakPolarHBondContact CB-SG 3.44Å; C386-C395 PolarHBondContact N-SG 3.18Å; C386-C395 VanDerWaalsContact N-SG 3.45Å; C386-C395 WeakPolarHBondContact SG-CA 3.44Å; C386-C395 WeakPolarHBondContact SG-CB 3.24Å; C386-C395 CovalentContact SG-SG 2.04Å; C386-C395 PolarHBondContact SG-SG 3.31Å; C386-V580 CarbonylContact O-C 3.56Å; C386-V580 VanDerWaalsContact O-CA 3.25Å; C386-V580 WeakPolarHBondContact O-CA 3.49Å; C386-N581 PolarHBondContact N-OD1 3.33Å; C386-N581 PolarHBondContact O-N 3.21Å
387	P	96.3	Very high	94	Very high	41 Å²	41	39.6 Å²	39.6	27%	0.266	23%	0.225	S	C	.	.	B	Isolated β-bridge	trans	-62.2	160.9	177.4	26.7	-34.8	0	0	0	111.1	Q385 G389 T390 G579	Q385-P387 WeakPolarHBondContact O-CD 3.41Å; P387-G389 PolarHBondContact O-N 2.9Å; P387-T390 VanDerWaalsContact CD-OG1 3.22Å; P387-T390 WeakPolarHBondContact CD-OG1 3.2Å; P387-T390 HydrophobicContact CG-CG2 4.34Å; P387-T390 PolarHBondContact O-N 2.77Å; P387-T390 PolarHBondContact O-OG1 3.37Å; P387-G579 CarbonylContact C-O 3.57Å; P387-G579 WeakPolarHBondContact CA-O 3.4Å
388	L	94.1	Very high	94.3	Very high	53 Å²	53	48.7 Å²	48.7	28%	0.277	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-44.3	132.6	175.1	-72.3	179.1	0	0	0	112	L401 T412 A576 G579 I582	L388-L401 HydrophobicContact CB-CD1 4.45Å; L388-L401 HydrophobicContact CD2-CD1 3.87Å; L388-T412 HydrophobicContact CD2-CG2 4.14Å; L388-A576 HydrophobicContact CD1-CB 3.86Å; L388-G579 PolarHBondContact N-O 3.28Å; L388-G579 VanDerWaalsContact N-O 3.08Å; L388-I582 HydrophobicContact CD2-CB 3.84Å; L388-I582 HydrophobicContact CD2-CG1 3.59Å; L388-I582 HydrophobicContact CD2-CG2 4.36Å
389	G	93.9	Very high	94.3	Very high	21 Å²	21	49.8 Å²	49.8	22%	0.216	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	82	9.7	-179.4	0	0	0	0	0	114.9	P387 R398 V399	P387-G389 PolarHBondContact O-N 2.9Å; G389-R398 CarbonylContact O-C 3.53Å; G389-R398 WeakPolarHBondContact O-CA 3.24Å; G389-V399 VanDerWaalsContact CA-O 3.31Å; G389-V399 WeakPolarHBondContact CA-O 3.39Å; G389-V399 PolarHBondContact O-N 3.2Å
390	T	96.5	Very high	94.2	Very high	12 Å²	12	54.1 Å²	54.1	7%	0.074	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	150.6	174.6	67.7	0	0	0	0	113.1	N370 P387 Q397	N370-T390 HydrophobicContact CB-CG2 3.83Å; P387-T390 VanDerWaalsContact CD-OG1 3.22Å; P387-T390 WeakPolarHBondContact CD-OG1 3.2Å; P387-T390 HydrophobicContact CG-CG2 4.34Å; P387-T390 PolarHBondContact O-N 2.77Å; P387-T390 PolarHBondContact O-OG1 3.37Å; T390-Q397 CarbonylContact C-O 3.48Å; T390-Q397 WeakPolarHBondContact CA-O 3.47Å
391	S	95.1	Very high	94.1	Very high	14 Å²	14	53.2 Å²	53.2	10%	0.098	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	174.5	179.6	69.2	0	0	0	0	112	C395 E396 Q397 V399	S391-C395 CarbonylContact O-C 3.48Å; S391-C395 VanDerWaalsContact O-C 3.22Å; S391-C395 VanDerWaalsContact O-CA 3.29Å; S391-C395 WeakPolarHBondContact O-CA 3.31Å; S391-E396 PolarHBondContact O-N 2.95Å; S391-Q397 PolarHBondContact N-O 2.82Å; S391-Q397 WeakPolarHBondContact O-CB 3.21Å; S391-Q397 PolarHBondContact O-N 2.57Å; S391-V399 WeakPolarHBondContact OG-CG1 3.46Å
392	G	94.8	Very high	93.7	Very high	33 Å²	33	53 Å²	53	34%	0.34	27%	0.269	S	S	.	.	S	Bend	trans	104.8	169.7	-175.7	0	0	0	0	0	111.9	Q394 C395	G392-Q394 PolarHBondContact O-N 2.66Å; G392-C395 PolarHBondContact O-N 2.7Å
393	Q	93.7	Very high	93.5	Very high	166 Å²	166	53.2 Å²	53.2	78%	0.776	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-22.1	-177.1	-69.5	-169.6	-6.6	0	0	113.3	E396	Q393-E396 PolarHBondContact N-OE2 3.48Å
394	Q	96.3	Very high	93.6	Very high	57 Å²	57	50.9 Å²	50.9	27%	0.266	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.3	13.3	175.4	-56.5	-175.9	-69.4	0	0	111.3	E367 K369 G392 E396	E367-Q394 WeakPolarHBondContact O-CB 3.42Å; E367-Q394 WeakPolarHBondContact O-CG 3.34Å; E367-Q394 PolarHBondContact O-NE2 2.63Å; K369-Q394 WeakPolarHBondContact CA-O 3.29Å; K369-Q394 WeakPolarHBondContact CB-O 3.4Å; K369-Q394 HydrophobicContact CG-CB 4.32Å; K369-Q394 PolarHBondContact N-O 2.81Å; G392-Q394 PolarHBondContact O-N 2.66Å; Q394-E396 WeakPolarHBondContact CA-OE2 3.4Å; Q394-E396 WeakPolarHBondContact CB-OE2 3.37Å; Q394-E396 PolarHBondContact N-OE2 2.9Å; Q394-E396 PolarHBondContact O-N 3.15Å
395	C	97.3	Very high	93.6	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.263	C	S	.	.	S	Bend	trans	59	28.2	-174.6	-43.4	0	0	0	0	113.2	N370 A372 C384 C386 S391 G392	N370-C395 PolarHBondContact ND2-O 2.85Å; A372-C395 HydrophobicContact CB-CB 3.88Å; A372-C395 VanDerWaalsContact CB-SG 3.53Å; C384-C395 WeakPolarHBondContact CB-SG 3.41Å; C386-C395 WeakPolarHBondContact CA-SG 3.16Å; C386-C395 HydrophobicContact CB-CB 3.66Å; C386-C395 WeakPolarHBondContact CB-SG 3.44Å; C386-C395 PolarHBondContact N-SG 3.18Å; C386-C395 VanDerWaalsContact N-SG 3.45Å; C386-C395 WeakPolarHBondContact SG-CA 3.44Å; C386-C395 WeakPolarHBondContact SG-CB 3.24Å; C386-C395 CovalentContact SG-SG 2.04Å; C386-C395 PolarHBondContact SG-SG 3.31Å; S391-C395 CarbonylContact O-C 3.48Å; S391-C395 VanDerWaalsContact O-C 3.22Å; S391-C395 VanDerWaalsContact O-CA 3.29Å; S391-C395 WeakPolarHBondContact O-CA 3.31Å; G392-C395 PolarHBondContact O-N 2.7Å
396	E	96.9	Very high	93.7	Very high	70 Å²	70	51.3 Å²	51.3	33%	0.327	26%	0.256	S	S	.	.			trans	-76.8	-21.8	-172.5	70.8	-72.7	171	0	0	114.3	K369 S391 Q393 Q394	K369-E396 HydrophobicContact CD-CB 3.79Å; K369-E396 HydrophobicContact CG-CB 4.5Å; S391-E396 PolarHBondContact O-N 2.95Å; Q393-E396 PolarHBondContact N-OE2 3.48Å; Q394-E396 WeakPolarHBondContact CA-OE2 3.4Å; Q394-E396 WeakPolarHBondContact CB-OE2 3.37Å; Q394-E396 PolarHBondContact N-OE2 2.9Å; Q394-E396 PolarHBondContact O-N 3.15Å
397	Q	95.7	Very high	93.5	Very high	108 Å²	108	53.3 Å²	53.3	51%	0.505	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	139.7	-176.9	-54.2	178.4	7.9	0	0	109.8	T390 S391	T390-Q397 CarbonylContact C-O 3.48Å; T390-Q397 WeakPolarHBondContact CA-O 3.47Å; S391-Q397 PolarHBondContact N-O 2.82Å; S391-Q397 WeakPolarHBondContact O-CB 3.21Å; S391-Q397 PolarHBondContact O-N 2.57Å
398	R	94	Very high	93.3	Very high	213 Å²	213	51.4 Å²	51.4	80%	0.804	26%	0.255	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.7	136.1	171.2	-67.6	-173.5	178.4	-175.7	-0.8	109.8	G389	G389-R398 CarbonylContact O-C 3.53Å; G389-R398 WeakPolarHBondContact O-CA 3.24Å
399	V	90.4	Very high	93.1	Very high	41 Å²	41	53.4 Å²	53.4	25%	0.248	26%	0.259	C	S	.	.			trans	-128.2	136.9	-178.7	-65.4	0	0	0	0	110.6	G389 S391 L401	G389-V399 VanDerWaalsContact CA-O 3.31Å; G389-V399 WeakPolarHBondContact CA-O 3.39Å; G389-V399 PolarHBondContact O-N 3.2Å; S391-V399 WeakPolarHBondContact OG-CG1 3.46Å; V399-L401 HydrophobicContact CG2-CD2 3.9Å; V399-L401 HydrophobicContact CG2-CG 4.37Å
400	E	88.8	Confident	93.1	Very high	92 Å²	92	52.4 Å²	52.4	43%	0.43	25%	0.249	S	C	.	.			trans	-81.9	123.3	168	-175.9	176.5	-165.4	0	0	108.2	N584 S593	E400-N584 PolarHBondContact O-ND2 2.02Å; E400-S593 WeakPolarHBondContact OE2-CB 3.48Å; E400-S593 PolarHBondContact OE2-N 3.2Å; E400-S593 PolarHBondContact OE2-OG 3.48Å
401	L	89.9	Confident	93	Very high	26 Å²	26	53.4 Å²	53.4	14%	0.136	25%	0.251	C	S	.	.			trans	-100.4	133.9	-177.4	-63	177.6	0	0	0	110.7	L388 V399 I573 I582 N584	L388-L401 HydrophobicContact CB-CD1 4.45Å; L388-L401 HydrophobicContact CD2-CD1 3.87Å; V399-L401 HydrophobicContact CG2-CD2 3.9Å; V399-L401 HydrophobicContact CG2-CG 4.37Å; L401-I573 HydrophobicContact CB-CD1 3.87Å; L401-I573 HydrophobicContact CB-CG1 4.27Å; L401-I573 HydrophobicContact CB-CG2 3.95Å; L401-I573 HydrophobicContact CD1-CD1 4.29Å; L401-I582 HydrophobicContact CD1-CB 4.19Å; L401-I582 HydrophobicContact CD1-CG2 3.89Å; L401-I582 HydrophobicContact CD2-CG2 4.21Å; L401-N584 WeakPolarHBondContact CA-OD1 3.05Å
402	I	83.7	Confident	93.1	Very high	45 Å²	45	52.7 Å²	52.7	23%	0.231	25%	0.247	C	C	.	.	S	Bend	trans	-122.4	-48.9	-177.5	-52.8	174.4	0	0	0	111.4	N584 Q588 F592	I402-N584 PolarHBondContact N-OD1 3Å; I402-Q588 VanDerWaalsContact CG2-NE2 3.34Å; I402-F592 HydrophobicContact CD1-CB 4.23Å; I402-F592 HydrophobicContact CD1-CD1 3.46Å; I402-F592 VanDerWaalsContact CD1-CD1 3.46Å; I402-F592 HydrophobicContact CD1-CD2 3.71Å; I402-F592 HydrophobicContact CD1-CE1 3.56Å; I402-F592 HydrophobicContact CD1-CE2 3.83Å; I402-F592 HydrophobicContact CD1-CG 3.53Å; I402-F592 HydrophobicContact CD1-CZ 3.74Å; I402-F592 VanDerWaalsContact CD1-N 3.25Å; I402-F592 HydrophobicContact CG1-CD1 4.27Å; I402-F592 HydrophobicContact CG1-CE1 4.1Å; I402-F592 HydrophobicContact CG1-CZ 4.45Å
403	M	87.8	Confident	93.2	Very high	30 Å²	30	53.3 Å²	53.3	15%	0.148	24%	0.24	C	C	.	.	S	Bend	trans	-140.8	141.2	160.4	115.1	-161.9	-15.3	0	0	111	W487 N584 C585	M403-W487 HydrophobicContact CE-CH2 4.36Å; M403-W487 HydrophobicContact SD-CH2 3.63Å; M403-W487 HydrophobicContact SD-CZ2 4Å; M403-N584 WeakPolarHBondContact O-CA 3.29Å; M403-C585 HydrophobicContact CG-CB 3.62Å; M403-C585 PolarHBondContact O-N 3.17Å; M403-C585 HydrophobicContact SD-CB 3.86Å
404	P	93.8	Very high	93.2	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	133.8	-169.2	30.5	-36.4	0	0	0	112.2	Y406 C559 I560 P572 I573 I582 L583	P404-Y406 HydrophobicContact CB-CD2 4.4Å; P404-Y406 HydrophobicContact CB-CE2 3.57Å; P404-Y406 HydrophobicContact CG-CE2 3.64Å; P404-Y406 WeakPolarHBondContact CG-OH 3.38Å; P404-C559 WeakPolarHBondContact O-CA 3.37Å; P404-I560 WeakPolarHBondContact CD-O 3.12Å; P404-I560 PolarHBondContact O-N 3.16Å; P404-P572 HydrophobicContact CG-CB 3.68Å; P404-I573 HydrophobicContact CB-CD1 3.9Å; P404-I573 HydrophobicContact CG-CD1 4.14Å; P404-I582 HydrophobicContact CB-CD1 4.4Å; P404-I582 HydrophobicContact CB-CG2 3.57Å; P404-L583 CarbonylContact C-O 3.44Å; P404-L583 WeakPolarHBondContact CA-O 3.37Å
405	Y	95.3	Very high	92.9	Very high	49 Å²	49	49.1 Å²	49.1	19%	0.192	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	126.9	156.8	179.4	-99.7	0	0	0	109.4	N407 G558 L583	Y405-N407 HydrophobicContact CD1-CB 4.42Å; Y405-N407 HydrophobicContact CE1-CB 3.92Å; Y405-G558 WeakPolarHBondContact CA-O 3.32Å; Y405-L583 HydrophobicContact CD1-CB 4.45Å; Y405-L583 PolarHBondContact N-O 3.47Å; Y405-L583 PolarHBondContact O-N 3Å
406	Y	96.3	Very high	92.2	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	134.6	173.1	-61.1	-92.6	0	0	0	109.1	P404 T412 L529 G530 F556 Q557 G558 I560 I582	P404-Y406 HydrophobicContact CB-CD2 4.4Å; P404-Y406 HydrophobicContact CB-CE2 3.57Å; P404-Y406 HydrophobicContact CG-CE2 3.64Å; P404-Y406 WeakPolarHBondContact CG-OH 3.38Å; Y406-T412 HydrophobicContact CE1-CG2 4.25Å; Y406-T412 WeakPolarHBondContact OH-CG2 3.38Å; Y406-T412 PolarHBondContact OH-OG1 3.04Å; Y406-L529 WeakPolarHBondContact CE1-O 3.39Å; Y406-L529 HydrophobicContact CE2-CD2 4.25Å; Y406-L529 WeakPolarHBondContact OH-CD2 3.47Å; Y406-G530 VanDerWaalsContact CD1-CA 3.47Å; Y406-F556 CarbonylContact C-O 3.5Å; Y406-F556 WeakPolarHBondContact CB-O 3.41Å; Y406-F556 HydrophobicContact CD2-CD1 4.07Å; Y406-F556 HydrophobicContact CD2-CE1 4.44Å; Y406-F556 HydrophobicContact CG-CD1 4.25Å; Y406-Q557 CarbonylContact O-C 3.57Å; Y406-Q557 VanDerWaalsContact O-CA 3.26Å; Y406-Q557 WeakPolarHBondContact O-CA 3.37Å; Y406-G558 PolarHBondContact N-O 3.48Å; Y406-G558 PolarHBondContact O-N 3.25Å; Y406-I560 HydrophobicContact CD2-CD1 3.91Å; Y406-I560 HydrophobicContact CD2-CG1 4.09Å; Y406-I560 HydrophobicContact CE2-CB 4.05Å; Y406-I560 HydrophobicContact CE2-CD1 3.64Å; Y406-I560 HydrophobicContact CE2-CG1 3.89Å; Y406-I582 HydrophobicContact CD1-CD1 3.65Å; Y406-I582 HydrophobicContact CE1-CD1 3.29Å; Y406-I582 HydrophobicContact CG-CD1 4.44Å
407	N	93.1	Very high	91.6	Very high	48 Å²	48	46.6 Å²	46.6	26%	0.257	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	12.7	-176.1	74.5	9.5	0	0	0	113.5	Y405 Y409 S410 Q557	Y405-N407 HydrophobicContact CD1-CB 4.42Å; Y405-N407 HydrophobicContact CE1-CB 3.92Å; N407-Y409 VanDerWaalsContact C-N 3.29Å; N407-Y409 PolarHBondContact O-N 2.96Å; N407-Y409 WeakPolarHBondContact OD1-CA 3.1Å; N407-Y409 WeakPolarHBondContact OD1-CB 3.35Å; N407-Y409 PolarHBondContact OD1-N 2.95Å; N407-S410 PolarHBondContact N-OG 2.92Å; N407-S410 PolarHBondContact OD1-N 3.35Å; N407-S410 PolarHBondContact OD1-OG 2.68Å; N407-Q557 VanDerWaalsContact C-CG 3.44Å
408	G	91.5	Very high	90.7	Very high	2 Å²	2	44.2 Å²	44.2	2%	0.021	21%	0.211	C	C	.	.	S	Bend	trans	86.4	-14.8	-175.6	0	0	0	0	0	115.2	S553 G555 F556	G408-S553 WeakPolarHBondContact O-CA 3.13Å; G408-S553 PolarHBondContact O-OG 2.96Å; G408-G555 WeakPolarHBondContact CA-O 3.32Å; G408-G555 WeakPolarHBondContact O-CA 3.24Å; G408-G555 PolarHBondContact O-N 3.46Å; G408-F556 WeakPolarHBondContact CA-O 3.2Å; G408-F556 PolarHBondContact N-O 3.16Å
409	Y	89.5	Confident	89.6	Confident	95 Å²	95	38.2 Å²	38.2	37%	0.373	22%	0.215	S	C	.	.	S	Bend	trans	-113.2	-0.7	168.5	-54.9	-84.2	0	0	0	112.2	I383 N407 L552	I383-Y409 HydrophobicContact CD1-CD1 4.34Å; I383-Y409 HydrophobicContact CD1-CG 4.38Å; N407-Y409 VanDerWaalsContact C-N 3.29Å; N407-Y409 PolarHBondContact O-N 2.96Å; N407-Y409 WeakPolarHBondContact OD1-CA 3.1Å; N407-Y409 WeakPolarHBondContact OD1-CB 3.35Å; N407-Y409 PolarHBondContact OD1-N 2.95Å; Y409-L552 HydrophobicContact CD1-CB 4.17Å; Y409-L552 HydrophobicContact CE1-CB 3.65Å
410	S	94.4	Very high	89	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.228	C	C	.	.			trans	-86.3	148.1	-178.8	-42.9	0	0	0	0	110.5	N407 G530 V580 N581	N407-S410 PolarHBondContact N-OG 2.92Å; N407-S410 PolarHBondContact OD1-N 3.35Å; N407-S410 PolarHBondContact OD1-OG 2.68Å; S410-G530 CarbonylContact O-C 3.52Å; S410-V580 WeakPolarHBondContact CA-O 3.28Å; S410-V580 VanDerWaalsContact CB-O 3.3Å; S410-V580 WeakPolarHBondContact CB-O 3.39Å; S410-N581 WeakPolarHBondContact CB-O 3.44Å; S410-N581 PolarHBondContact OG-O 2.79Å
411	Y	95.7	Very high	88.4	Confident	32 Å²	32	36 Å²	36	13%	0.125	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	154.6	166.2	63.7	-91.9	0	0	0	110.1	Y528 L529 P533 G579 V580	Y411-Y528 HydrophobicContact CD2-CD1 4.08Å; Y411-Y528 HydrophobicContact CD2-CE1 4.41Å; Y411-L529 CarbonylContact C-O 3.56Å; Y411-L529 WeakPolarHBondContact CA-O 3.26Å; Y411-P533 HydrophobicContact CD1-CB 4.43Å; Y411-P533 HydrophobicContact CE1-CB 3.8Å; Y411-P533 HydrophobicContact CE2-CB 4.03Å; Y411-P533 HydrophobicContact CE2-CG 4.38Å; Y411-G579 CarbonylContact O-C 3.55Å; Y411-G579 WeakPolarHBondContact O-CA 3.35Å; Y411-V580 HydrophobicContact CD1-CB 4Å; Y411-V580 HydrophobicContact CE1-CB 3.52Å; Y411-V580 HydrophobicContact CE1-CG1 4.16Å; Y411-V580 HydrophobicContact CE1-CG2 3.69Å; Y411-V580 HydrophobicContact CE2-CB 4.48Å; Y411-V580 HydrophobicContact CE2-CG2 4.29Å; Y411-V580 VanDerWaalsContact CZ-CG2 3.48Å; Y411-V580 PolarHBondContact N-O 2.84Å; Y411-V580 PolarHBondContact O-N 2.87Å; Y411-V580 VanDerWaalsContact OH-CG2 3.26Å; Y411-V580 WeakPolarHBondContact OH-CG2 3.3Å
412	T	96.7	Very high	87.9	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	150.4	162.2	48.5	0	0	0	0	109.5	L388 Y406 Y414 Y528 L529 A576 G578 I582	L388-T412 HydrophobicContact CD2-CG2 4.14Å; Y406-T412 HydrophobicContact CE1-CG2 4.25Å; Y406-T412 WeakPolarHBondContact OH-CG2 3.38Å; Y406-T412 PolarHBondContact OH-OG1 3.04Å; T412-Y414 WeakPolarHBondContact CB-OH 3.46Å; T412-Y414 WeakPolarHBondContact OG1-CE2 3.34Å; T412-Y414 PolarHBondContact OG1-OH 2.83Å; T412-Y528 WeakPolarHBondContact O-CA 3.37Å; T412-L529 PolarHBondContact N-O 2.87Å; T412-L529 PolarHBondContact O-N 3.1Å; T412-A576 HydrophobicContact CG2-CB 4.45Å; T412-G578 WeakPolarHBondContact CA-O 3.38Å; T412-I582 HydrophobicContact CG2-CD1 3.71Å; T412-I582 HydrophobicContact CG2-CG1 3.76Å
413	E	95.8	Very high	87.9	Confident	45 Å²	45	38.6 Å²	38.6	21%	0.21	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	136.5	-175.1	-173.3	179.1	179.4	0	0	110	S526 Y528 A576 I577 G578	E413-S526 VanDerWaalsContact CG-CB 3.42Å; E413-S526 WeakPolarHBondContact OE1-CB 3.19Å; E413-S526 PolarHBondContact OE1-OG 2.61Å; E413-Y528 HydrophobicContact CB-CD1 4.06Å; E413-Y528 HydrophobicContact CB-CE1 3.86Å; E413-Y528 HydrophobicContact CG-CD1 4.07Å; E413-Y528 HydrophobicContact CG-CE1 3.54Å; E413-A576 CarbonylContact O-C 3.27Å; E413-A576 WeakPolarHBondContact O-CA 3.16Å; E413-I577 HydrophobicContact CB-CG1 4.08Å; E413-I577 HydrophobicContact CG-CD1 3.93Å; E413-I577 HydrophobicContact CG-CG1 3.82Å; E413-I577 VanDerWaalsContact O-CG1 3.32Å; E413-I577 WeakPolarHBondContact O-CG1 3.45Å; E413-I577 PolarHBondContact O-N 3.16Å; E413-G578 PolarHBondContact N-O 2.83Å
414	Y	94.4	Very high	87.9	Confident	3 Å²	3	42 Å²	42	1%	0.012	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	161.1	179.4	-53.6	-90.8	0	0	0	110.9	T412 G416 S526 L527 L529 I570 P572 N575 A576	T412-Y414 WeakPolarHBondContact CB-OH 3.46Å; T412-Y414 WeakPolarHBondContact OG1-CE2 3.34Å; T412-Y414 PolarHBondContact OG1-OH 2.83Å; Y414-G416 PolarHBondContact O-N 3.03Å; Y414-G416 VanDerWaalsContact O-N 3.16Å; Y414-S526 WeakPolarHBondContact O-CA 3.17Å; Y414-S526 WeakPolarHBondContact O-CB 3.49Å; Y414-L527 HydrophobicContact CD2-CD2 3.78Å; Y414-L527 HydrophobicContact CG-CD2 4.48Å; Y414-L527 PolarHBondContact N-O 3.46Å; Y414-L527 PolarHBondContact O-N 2.99Å; Y414-L529 HydrophobicContact CE2-CB 3.83Å; Y414-L529 HydrophobicContact CE2-CD2 4.18Å; Y414-I570 HydrophobicContact CD1-CG2 3.35Å; Y414-I570 HydrophobicContact CE1-CG2 3.49Å; Y414-I570 VanDerWaalsContact CE1-CG2 3.49Å; Y414-I570 HydrophobicContact CG-CG2 4.13Å; Y414-P572 VanDerWaalsContact OH-C 3.31Å; Y414-P572 VanDerWaalsContact OH-CA 3.22Å; Y414-P572 WeakPolarHBondContact OH-CA 3.39Å; Y414-P572 PolarHBondContact OH-O 3.05Å; Y414-N575 HydrophobicContact CD1-CB 4.34Å; Y414-N575 WeakPolarHBondContact CD1-O 3.4Å; Y414-N575 HydrophobicContact CE1-CB 4.48Å; Y414-A576 HydrophobicContact CD1-CB 4.47Å; Y414-A576 HydrophobicContact CE1-CB 3.85Å
415	I	89.2	Confident	87.7	Confident	132 Å²	132	42 Å²	42	68%	0.677	25%	0.247	S	C	*	.			trans	-59.9	119.8	162.9	-59.3	172.1	0	0	0	107.2
416	G	82.8	Confident	87.5	Confident	15 Å²	15	41.5 Å²	41.5	16%	0.155	25%	0.249	C	C	.	.			trans	-74.3	-169.9	-176.2	0	0	0	0	0	114.2	Y414 S418 E443	Y414-G416 PolarHBondContact O-N 3.03Å; Y414-G416 VanDerWaalsContact O-N 3.16Å; G416-S418 PolarHBondContact O-N 3.4Å; G416-E443 VanDerWaalsContact CA-OE1 3.29Å; G416-E443 WeakPolarHBondContact CA-OE1 3.19Å
417	L	84.3	Confident	87.4	Confident	3 Å²	3	41.7 Å²	41.7	2%	0.016	25%	0.25	C	S	.	.			trans	-82.5	7.2	-178.3	-54.4	177.2	0	0	0	113.8	G419 T420 S421 T425 E443 L454 L523 L527 T565	L417-G419 PolarHBondContact O-N 3.08Å; L417-T420 PolarHBondContact O-N 2.86Å; L417-T420 PolarHBondContact O-OG1 3.17Å; L417-S421 WeakPolarHBondContact CB-OG 3.47Å; L417-S421 PolarHBondContact O-N 3.04Å; L417-T425 HydrophobicContact CD1-CG2 3.97Å; L417-E443 WeakPolarHBondContact CG-OE2 3.22Å; L417-E443 VanDerWaalsContact N-CD 3.29Å; L417-E443 PolarHBondContact N-OE1 3.15Å; L417-E443 PolarHBondContact N-OE2 3.11Å; L417-L454 HydrophobicContact CD1-CD2 3.93Å; L417-L523 HydrophobicContact CB-CD1 4.09Å; L417-L523 HydrophobicContact CD1-CD1 4.33Å; L417-L527 HydrophobicContact CG-CD1 4.37Å; L417-T565 VanDerWaalsContact CD2-CB 3.4Å; L417-T565 HydrophobicContact CD2-CG2 3.93Å; L417-T565 WeakPolarHBondContact CD2-OG1 3.29Å
418	S	77	Confident	87.4	Confident	58 Å²	58	41.6 Å²	41.6	41%	0.406	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-45.1	127.3	180	70.2	0	0	0	0	112.3	G416 T420 L523	G416-S418 PolarHBondContact O-N 3.4Å; S418-T420 PolarHBondContact O-N 3.18Å; S418-T420 VanDerWaalsContact O-N 3.11Å; S418-L523 VanDerWaalsContact CA-O 3.23Å; S418-L523 WeakPolarHBondContact CA-O 3.32Å; S418-L523 WeakPolarHBondContact CB-O 3.39Å
419	G	72.4	Confident	87.6	Confident	86 Å²	86	41.5 Å²	41.5	89%	0.887	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.1	-11.8	-179.4	0	0	0	0	0	116.8	L417	L417-G419 PolarHBondContact O-N 3.08Å
420	T	75.8	Confident	87.7	Confident	85 Å²	85	39 Å²	39	52%	0.521	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-17.3	-178.5	66.4	0	0	0	0	113.9	L417 S418 N566	L417-T420 PolarHBondContact O-N 2.86Å; L417-T420 PolarHBondContact O-OG1 3.17Å; S418-T420 PolarHBondContact O-N 3.18Å; S418-T420 VanDerWaalsContact O-N 3.11Å; T420-N566 PolarHBondContact OG1-ND2 3.33Å
421	S	78	Confident	87.8	Confident	2 Å²	2	39 Å²	39	1%	0.014	24%	0.239	C	C	.	.			trans	-107.8	39.4	-170.9	-81.8	0	0	0	0	114.1	L417 F424 T425 R494 L521 N566	L417-S421 WeakPolarHBondContact CB-OG 3.47Å; L417-S421 PolarHBondContact O-N 3.04Å; S421-F424 WeakPolarHBondContact CA-O 3.37Å; S421-T425 VanDerWaalsContact CB-OG1 3.23Å; S421-T425 WeakPolarHBondContact CB-OG1 3.48Å; S421-T425 WeakPolarHBondContact OG-CG2 3.2Å; S421-T425 PolarHBondContact OG-OG1 3.2Å; S421-T425 VanDerWaalsContact OG-OG1 3.07Å; S421-R494 PolarHBondContact O-NH2 3.13Å; S421-L521 WeakPolarHBondContact O-CB 3.28Å; S421-N566 PolarHBondContact OG-ND2 2.75Å
422	S	78.9	Confident	87.7	Confident	58 Å²	58	40.3 Å²	40.3	41%	0.406	24%	0.244	S	C	.	.	S	Bend	trans	-62.3	-87.2	-177.8	-177.8	0	0	0	0	112.1	R494 Q520 L521	S422-R494 PolarHBondContact O-NH1 2.77Å; S422-R494 PolarHBondContact O-NH2 2.04Å; S422-Q520 VanDerWaalsContact O-CA 3.32Å; S422-Q520 WeakPolarHBondContact O-CA 3.17Å; S422-L521 PolarHBondContact O-N 2.85Å; S422-L521 VanDerWaalsContact O-N 3.15Å
423	S	83.3	Confident	87.7	Confident	68 Å²	68	40.3 Å²	40.3	48%	0.476	24%	0.244	S	C	.	.	S	Bend	trans	-95.9	-2.6	179.9	61.4	0	0	0	0	114.1	G496	S423-G496 PolarHBondContact O-N 2.95Å
424	F	88.4	Confident	87.7	Confident	101 Å²	101	39.9 Å²	39.9	44%	0.443	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	138.6	-177.1	-175.9	-106.4	0	0	0	109.9	S421 T426 R494 I495	S421-F424 WeakPolarHBondContact CA-O 3.37Å; F424-T426 HydrophobicContact CD1-CG2 4.37Å; F424-T426 HydrophobicContact CE1-CG2 3.38Å; F424-T426 HydrophobicContact CE2-CG2 4.21Å; F424-T426 HydrophobicContact CZ-CG2 3.28Å; F424-R494 WeakPolarHBondContact CA-O 3.01Å; F424-R494 VanDerWaalsContact CD2-O 3.26Å; F424-R494 WeakPolarHBondContact CD2-O 3.44Å; F424-I495 HydrophobicContact CD2-CG1 3.89Å; F424-I495 HydrophobicContact CE2-CG1 3.95Å
425	T	89.9	Confident	87.7	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	135.1	176.6	-57.1	0	0	0	0	109	L417 S421 L454 W493 R494 N566	L417-T425 HydrophobicContact CD1-CG2 3.97Å; S421-T425 VanDerWaalsContact CB-OG1 3.23Å; S421-T425 WeakPolarHBondContact CB-OG1 3.48Å; S421-T425 WeakPolarHBondContact OG-CG2 3.2Å; S421-T425 PolarHBondContact OG-OG1 3.2Å; S421-T425 VanDerWaalsContact OG-OG1 3.07Å; T425-L454 HydrophobicContact CG2-CD2 4.32Å; T425-W493 CarbonylContact O-C 3.54Å; T425-W493 WeakPolarHBondContact O-CA 3.45Å; T425-R494 PolarHBondContact N-O 2.79Å; T425-R494 VanDerWaalsContact N-O 3.1Å; T425-R494 PolarHBondContact O-N 2.88Å; T425-R494 PolarHBondContact OG1-NH2 3.04Å; T425-N566 WeakPolarHBondContact CA-OD1 3.32Å
426	T	90.6	Very high	88	Confident	39 Å²	39	40.5 Å²	40.5	24%	0.239	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	144.2	169.3	61.7	0	0	0	0	110.7	F424 F492 W493 T565 N566	F424-T426 HydrophobicContact CD1-CG2 4.37Å; F424-T426 HydrophobicContact CE1-CG2 3.38Å; F424-T426 HydrophobicContact CE2-CG2 4.21Å; F424-T426 HydrophobicContact CZ-CG2 3.28Å; T426-F492 CarbonylContact C-O 3.55Å; T426-F492 WeakPolarHBondContact CA-O 3.36Å; T426-W493 HydrophobicContact CG2-CB 3.96Å; T426-T565 CarbonylContact O-C 3.22Å; T426-T565 WeakPolarHBondContact O-CA 3.37Å; T426-N566 PolarHBondContact N-OD1 3.43Å; T426-N566 PolarHBondContact O-N 2.68Å; T426-N566 VanDerWaalsContact OG1-CA 3.26Å; T426-N566 WeakPolarHBondContact OG1-CA 3.36Å; T426-N566 PolarHBondContact OG1-N 3.2Å
427	L	94	Very high	88.4	Confident	4 Å²	4	42.8 Å²	42.8	2%	0.021	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	126.2	178.1	-172.7	158.4	0	0	0	109.2	L429 L441 L454 I456 F492 E564 T565	L427-L429 HydrophobicContact CD2-CB 3.92Å; L427-L441 HydrophobicContact CD1-CD1 3.75Å; L427-L441 HydrophobicContact CD1-CD2 4.04Å; L427-L454 HydrophobicContact CD1-CD2 4.3Å; L427-I456 HydrophobicContact CD1-CD1 3.75Å; L427-I456 HydrophobicContact CD2-CD1 3.35Å; L427-I456 HydrophobicContact CG-CD1 4.17Å; L427-F492 HydrophobicContact CB-CB 4.37Å; L427-F492 HydrophobicContact CB-CD1 4.23Å; L427-F492 PolarHBondContact N-O 2.74Å; L427-F492 PolarHBondContact O-N 2.8Å; L427-E564 CarbonylContact C-O 3.54Å; L427-E564 VanDerWaalsContact CA-O 3.32Å; L427-E564 WeakPolarHBondContact CA-O 3.45Å; L427-T565 HydrophobicContact CG-CG2 4.35Å
428	E	93.3	Very high	88.9	Confident	46 Å²	46	42.9 Å²	42.9	22%	0.215	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	131.6	167.6	-173.1	-175.9	127.8	0	0	109.8	I489 V490 H491 K562 I563 E564	E428-I489 HydrophobicContact CG-CG2 3.95Å; E428-V490 CarbonylContact C-O 3.44Å; E428-V490 VanDerWaalsContact CA-O 3.26Å; E428-V490 WeakPolarHBondContact CA-O 3.2Å; E428-H491 IonicContact OE2-CE1 2.83Å; E428-H491 PolarHBondContact OE2-CE1 2.9Å; E428-H491 IonicContact OE2-ND1 3.48Å; E428-H491 PolarHBondContact OE2-ND1 2.86Å; E428-K562 VanDerWaalsContact CD-NZ 3.35Å; E428-K562 WeakPolarHBondContact OE1-CE 3.03Å; E428-K562 IonicContact OE1-NZ 2.73Å; E428-K562 PolarHBondContact OE1-NZ 2.85Å; E428-K562 IonicContact OE2-NZ 3.77Å; E428-I563 CarbonylContact O-C 3.56Å; E428-I563 WeakPolarHBondContact O-CA 3.41Å; E428-E564 HydrophobicContact CB-CB 4.17Å; E428-E564 PolarHBondContact N-O 2.83Å; E428-E564 PolarHBondContact O-N 3.15Å
429	L	95	Very high	89.8	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	128.3	-178.6	172.7	79.3	0	0	0	109.8	L427 F431 I440 I489 V490 L529 I560 K562 I563	L427-L429 HydrophobicContact CD2-CB 3.92Å; L429-F431 HydrophobicContact CD2-CB 4.44Å; L429-F431 HydrophobicContact CD2-CD1 4.06Å; L429-F431 HydrophobicContact CD2-CG 4.4Å; L429-F431 HydrophobicContact CG-CB 4.43Å; L429-F431 HydrophobicContact CG-CD1 4.35Å; L429-I440 HydrophobicContact CD1-CG2 4.43Å; L429-I440 HydrophobicContact CD2-CB 4.46Å; L429-I440 HydrophobicContact CD2-CD1 4.45Å; L429-I440 HydrophobicContact CD2-CG2 3.47Å; L429-I440 VanDerWaalsContact CD2-CG2 3.47Å; L429-I489 CarbonylContact O-C 3.55Å; L429-I489 WeakPolarHBondContact O-CA 3.36Å; L429-V490 HydrophobicContact CB-CB 4.33Å; L429-V490 HydrophobicContact CD2-CG2 4.46Å; L429-V490 PolarHBondContact N-O 3.47Å; L429-V490 PolarHBondContact O-N 3.01Å; L429-L529 HydrophobicContact CD1-CD1 4.22Å; L429-I560 HydrophobicContact CD1-CD1 4.44Å; L429-I560 HydrophobicContact CD1-CG2 3.55Å; L429-K562 WeakPolarHBondContact CA-O 3.3Å; L429-I563 HydrophobicContact CD1-CD1 4.19Å; L429-I563 HydrophobicContact CD1-CG1 3.56Å
430	Q	93	Very high	91	Very high	42 Å²	42	36 Å²	36	20%	0.196	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	120.8	170.6	-172.2	-176.7	5.4	0	0	110.5	W487 H488 I489 I560 S561 K562	Q430-W487 HydrophobicContact CG-CE3 3.89Å; Q430-W487 HydrophobicContact CG-CZ3 4.36Å; Q430-H488 WeakPolarHBondContact CA-O 3.33Å; Q430-I489 HydrophobicContact CB-CG1 4.45Å; Q430-I489 HydrophobicContact CG-CG1 4.11Å; Q430-I560 WeakPolarHBondContact O-CA 3.25Å; Q430-S561 WeakPolarHBondContact CB-OG 3.12Å; Q430-S561 VanDerWaalsContact CG-OG 3.23Å; Q430-S561 WeakPolarHBondContact CG-OG 3.4Å; Q430-S561 PolarHBondContact O-N 3.41Å; Q430-S561 PolarHBondContact OE1-OG 2.63Å; Q430-K562 HydrophobicContact CB-CB 3.79Å; Q430-K562 PolarHBondContact N-O 2.9Å
431	F	95.3	Very high	92	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	159.4	-172.3	75.1	-73.9	0	0	0	112.9	L429 P433 I440 L458 V463 I482 W487 H488 V490 F556 C559 I560	L429-F431 HydrophobicContact CD2-CB 4.44Å; L429-F431 HydrophobicContact CD2-CD1 4.06Å; L429-F431 HydrophobicContact CD2-CG 4.4Å; L429-F431 HydrophobicContact CG-CB 4.43Å; L429-F431 HydrophobicContact CG-CD1 4.35Å; F431-P433 HydrophobicContact CD2-CB 4.36Å; F431-P433 HydrophobicContact CD2-CG 4.32Å; F431-P433 HydrophobicContact CE2-CB 4.16Å; F431-P433 HydrophobicContact CE2-CG 3.91Å; F431-I440 HydrophobicContact CD2-CD1 4.2Å; F431-I440 HydrophobicContact CE2-CD1 4.17Å; F431-L458 HydrophobicContact CE2-CD1 4.1Å; F431-L458 HydrophobicContact CE2-CD2 4.03Å; F431-L458 HydrophobicContact CZ-CD2 4.24Å; F431-V463 HydrophobicContact CE1-CG2 4.32Å; F431-V463 HydrophobicContact CZ-CG2 3.78Å; F431-I482 HydrophobicContact CE2-CD1 3.79Å; F431-I482 HydrophobicContact CZ-CD1 3.8Å; F431-W487 WeakPolarHBondContact O-CA 3.44Å; F431-H488 HydrophobicContact CD1-CB 4.09Å; F431-H488 HydrophobicContact CE1-CB 3.49Å; F431-H488 VanDerWaalsContact CE1-CB 3.49Å; F431-H488 HydrophobicContact CE2-CB 4.43Å; F431-H488 HydrophobicContact CZ-CB 3.71Å; F431-H488 PolarHBondContact N-O 2.99Å; F431-H488 PolarHBondContact O-N 3.2Å; F431-V490 HydrophobicContact CD1-CG2 4.02Å; F431-V490 HydrophobicContact CE1-CG2 3.43Å; F431-V490 VanDerWaalsContact CE1-CG2 3.43Å; F431-V490 HydrophobicContact CZ-CG2 4.35Å; F431-F556 HydrophobicContact CB-CZ 4.2Å; F431-F556 AromaticContact CD2-CE2 3.82Å; F431-F556 HydrophobicContact CD2-CE2 3.82Å; F431-F556 AromaticContact CD2-CZ 3.83Å; F431-F556 HydrophobicContact CD2-CZ 3.83Å; F431-F556 HydrophobicContact CE2-CE2 4.45Å; F431-C559 CarbonylContact C-O 3.31Å; F431-C559 VanDerWaalsContact CA-O 3.23Å; F431-C559 WeakPolarHBondContact CA-O 3.42Å; F431-I560 HydrophobicContact CB-CG1 4.16Å
432	R	93.7	Very high	92.8	Very high	60 Å²	60	32.3 Å²	32.3	23%	0.226	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	101.6	176.2	176.8	-179.8	175.9	-138.7	-2.6	110	N485 E486 W487 G558 C559 P586	R432-N485 PolarHBondContact NE-O 2.62Å; R432-E486 WeakPolarHBondContact CA-O 3.38Å; R432-E486 WeakPolarHBondContact CG-O 3.16Å; R432-W487 HydrophobicContact CB-CD2 3.8Å; R432-W487 HydrophobicContact CB-CE3 3.78Å; R432-W487 HydrophobicContact CB-CG 4.31Å; R432-W487 HydrophobicContact CB-CH2 4.23Å; R432-W487 HydrophobicContact CB-CZ2 4.26Å; R432-W487 HydrophobicContact CB-CZ3 4Å; R432-G558 CarbonylContact O-C 3.6Å; R432-G558 WeakPolarHBondContact O-CA 3.01Å; R432-C559 HydrophobicContact CB-CB 4.31Å; R432-C559 PolarHBondContact N-O 3.35Å; R432-C559 PolarHBondContact O-N 3.35Å; R432-P586 PolarHBondContact NH1-O 2.02Å
433	P	96.1	Very high	93.5	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	136.7	-174.3	30.3	-33.1	0	0	0	112.6	F431 L458 I482 L484 N485 E486 F556	F431-P433 HydrophobicContact CD2-CB 4.36Å; F431-P433 HydrophobicContact CD2-CG 4.32Å; F431-P433 HydrophobicContact CE2-CB 4.16Å; F431-P433 HydrophobicContact CE2-CG 3.91Å; P433-L458 HydrophobicContact CB-CD1 3.64Å; P433-I482 HydrophobicContact CG-CD1 3.79Å; P433-I482 HydrophobicContact CG-CG1 4.32Å; P433-L484 HydrophobicContact CB-CD2 4.07Å; P433-L484 HydrophobicContact CG-CD2 4.09Å; P433-N485 WeakPolarHBondContact O-CA 3.03Å; P433-N485 PolarHBondContact O-N 3.02Å; P433-E486 WeakPolarHBondContact CD-O 3.4Å; P433-F556 HydrophobicContact CB-CE2 3.89Å; P433-F556 HydrophobicContact CB-CZ 4.43Å
434	S	95.6	Very high	94	Very high	35 Å²	35	26.6 Å²	26.6	25%	0.245	13%	0.133	C	C	.	.	S	Bend	trans	-100.3	-16	169.1	-63.5	0	0	0	0	112.9	N485 Q557	S434-N485 PolarHBondContact OG-OD1 2.75Å; S434-Q557 PolarHBondContact N-O 3.44Å
435	K	95.2	Very high	93.8	Very high	105 Å²	105	26.9 Å²	26.9	46%	0.457	13%	0.132	S	C	.	.	S	Bend	trans	-130.7	153.7	175	-64.1	-62.8	-177.8	177.3	0	111	N437 Q557	K435-N437 VanDerWaalsContact C-N 3.29Å; K435-N437 PolarHBondContact O-N 3.07Å; K435-Q557 HydrophobicContact CB-CB 4.05Å; K435-Q557 HydrophobicContact CG-CB 3.73Å; K435-Q557 HydrophobicContact CG-CG 4.19Å
436	P	94.4	Very high	93.2	Very high	43 Å²	43	27.9 Å²	27.9	28%	0.279	14%	0.139	S	C	.	.	S	Bend	trans	-79.4	-6.9	-176.9	32.4	-37.1	0	0	0	114.4	L458 H460 G461	P436-L458 WeakPolarHBondContact O-CB 3.21Å; P436-H460 PolarHBondContact O-N 3.46Å; P436-G461 PolarHBondContact O-N 2.93Å
437	N	93	Very high	92.5	Very high	64 Å²	64	29 Å²	29	34%	0.342	14%	0.142	S	C	.	.			trans	-131.5	147.9	-176.9	-61.2	-55.5	0	0	0	110.6	K435 L458 H460	K435-N437 VanDerWaalsContact C-N 3.29Å; K435-N437 PolarHBondContact O-N 3.07Å; N437-L458 VanDerWaalsContact CA-O 3.28Å; N437-L458 WeakPolarHBondContact CA-O 3.13Å; N437-H460 PolarHBondContact OD1-N 2.86Å
438	G	93.6	Very high	91.6	Very high	5 Å²	5	32.4 Å²	32.4	5%	0.052	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	147.5	150	169.2	0	0	0	0	0	113.7	I440 M457 L458	G438-I440 PolarHBondContact O-N 3.5Å; G438-M457 WeakPolarHBondContact O-CA 3.42Å; G438-L458 PolarHBondContact N-O 3.03Å; G438-L458 VanDerWaalsContact N-O 3.08Å; G438-L458 PolarHBondContact O-N 3.1Å
439	L	95.9	Very high	90.8	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	118.6	175.9	-176.9	64.6	0	0	0	110.6	A455 M457 G530 H532 I538 I542 I546 I554 F556	L439-A455 HydrophobicContact CD1-CB 4.45Å; L439-M457 HydrophobicContact CD1-CB 4.39Å; L439-G530 CarbonylContact O-C 3.57Å; L439-H532 HydrophobicContact CD2-CB 4.42Å; L439-I538 HydrophobicContact CD2-CD1 3.72Å; L439-I538 HydrophobicContact CD2-CG1 4.49Å; L439-I542 HydrophobicContact CD1-CD1 4.26Å; L439-I546 HydrophobicContact CB-CG2 4.23Å; L439-I554 WeakPolarHBondContact CB-O 3.43Å; L439-I554 PolarHBondContact N-O 2.93Å; L439-F556 VanDerWaalsContact O-CB 3.29Å; L439-F556 WeakPolarHBondContact O-CB 3.41Å; L439-F556 PolarHBondContact O-N 2.75Å
440	I	97.2	Very high	90.1	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	-43.3	178.9	-57	167.1	0	0	0	111.6	L429 F431 G438 I456 L458 L529 G530 F556 I560	L429-I440 HydrophobicContact CD1-CG2 4.43Å; L429-I440 HydrophobicContact CD2-CB 4.46Å; L429-I440 HydrophobicContact CD2-CD1 4.45Å; L429-I440 HydrophobicContact CD2-CG2 3.47Å; L429-I440 VanDerWaalsContact CD2-CG2 3.47Å; F431-I440 HydrophobicContact CD2-CD1 4.2Å; F431-I440 HydrophobicContact CE2-CD1 4.17Å; G438-I440 PolarHBondContact O-N 3.5Å; I440-I456 WeakPolarHBondContact CA-O 3.46Å; I440-I456 HydrophobicContact CB-CG2 4.43Å; I440-I456 WeakPolarHBondContact CB-O 3.34Å; I440-I456 HydrophobicContact CD1-CG2 4.24Å; I440-I456 PolarHBondContact N-O 2.86Å; I440-L458 HydrophobicContact CD1-CD1 4.24Å; I440-L458 HydrophobicContact CD1-CD2 4.12Å; I440-L458 HydrophobicContact CD1-CG 3.73Å; I440-L458 HydrophobicContact CG1-CG 4.34Å; I440-L529 HydrophobicContact CG2-CD1 4.38Å; I440-L529 CarbonylContact O-C 3.59Å; I440-L529 WeakPolarHBondContact O-CA 3.37Å; I440-L529 VanDerWaalsContact O-CD1 3.29Å; I440-L529 WeakPolarHBondContact O-CD1 3.31Å; I440-G530 PolarHBondContact O-N 2.99Å; I440-F556 HydrophobicContact CD1-CD2 4.28Å; I440-F556 HydrophobicContact CD1-CE2 4.48Å; I440-F556 HydrophobicContact CG1-CB 4.04Å; I440-F556 HydrophobicContact CG1-CD2 3.64Å; I440-F556 HydrophobicContact CG1-CE2 4.27Å; I440-F556 HydrophobicContact CG1-CG 3.92Å; I440-I560 HydrophobicContact CG2-CD1 3.84Å
441	L	96.9	Very high	89.7	Confident	1 Å²	1	37.3 Å²	37.3	1%	0.005	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	140.5	-178.4	-175.9	144.4	0	0	0	109.7	L427 A455 I456 L527 Y528 L529	L427-L441 HydrophobicContact CD1-CD1 3.75Å; L427-L441 HydrophobicContact CD1-CD2 4.04Å; L441-A455 CarbonylContact O-C 3.6Å; L441-A455 WeakPolarHBondContact O-CA 3.42Å; L441-I456 HydrophobicContact CB-CB 4.1Å; L441-I456 HydrophobicContact CB-CG1 4.29Å; L441-I456 PolarHBondContact N-O 3.32Å; L441-I456 PolarHBondContact O-N 3.43Å; L441-L527 HydrophobicContact CD1-CD1 4.1Å; L441-L527 HydrophobicContact CD1-CD2 3.98Å; L441-L527 HydrophobicContact CD1-CG 4.25Å; L441-L527 HydrophobicContact CD2-CD1 4.47Å; L441-L527 HydrophobicContact CG-CD1 4.46Å; L441-L527 HydrophobicContact CG-CD2 4.22Å; L441-L527 HydrophobicContact CG-CG 4.25Å; L441-Y528 CarbonylContact C-O 3.54Å; L441-Y528 WeakPolarHBondContact CA-O 3.47Å; L441-L529 HydrophobicContact CB-CD1 4.28Å; L441-L529 HydrophobicContact CD1-CD1 4.12Å
442	Y	95.7	Very high	89.6	Confident	8 Å²	8	37.7 Å²	37.7	3%	0.031	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	133.9	174.4	-174.7	-98.6	0	0	0	111.8	F453 L454 A455 Y528 H532 F537 I538 S539 I542	Y442-F453 HydrophobicContact CE2-CB 4.15Å; Y442-F453 HydrophobicContact CE2-CD2 4.12Å; Y442-F453 HydrophobicContact CE2-CG 4.36Å; Y442-L454 WeakPolarHBondContact CA-O 3.24Å; Y442-A455 HydrophobicContact CD2-CB 3.99Å; Y442-Y528 PolarHBondContact N-O 3.1Å; Y442-Y528 PolarHBondContact O-N 3.09Å; Y442-H532 AromaticContact CD1-CD2 3.6Å; Y442-F537 PolarHBondContact OH-O 2.83Å; Y442-I538 HydrophobicContact CD1-CG1 4.43Å; Y442-I538 HydrophobicContact CD2-CG2 4.33Å; Y442-I538 HydrophobicContact CE1-CG1 4.36Å; Y442-I538 HydrophobicContact CE2-CG2 3.99Å; Y442-S539 PolarHBondContact OH-N 3.28Å; Y442-I542 HydrophobicContact CD2-CD1 3.93Å; Y442-I542 HydrophobicContact CE2-CD1 4.01Å
443	E	94.3	Very high	89.6	Confident	0 Å²	0	35 Å²	35	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	139.4	166.7	-166.9	177.8	162.3	0	0	108.5	G416 L417 F453 L454 L523 L527	G416-E443 VanDerWaalsContact CA-OE1 3.29Å; G416-E443 WeakPolarHBondContact CA-OE1 3.19Å; L417-E443 WeakPolarHBondContact CG-OE2 3.22Å; L417-E443 VanDerWaalsContact N-CD 3.29Å; L417-E443 PolarHBondContact N-OE1 3.15Å; L417-E443 PolarHBondContact N-OE2 3.11Å; E443-F453 CarbonylContact O-C 3.51Å; E443-F453 VanDerWaalsContact O-CA 3.24Å; E443-F453 WeakPolarHBondContact O-CA 3.43Å; E443-F453 WeakPolarHBondContact O-CB 3.4Å; E443-L454 PolarHBondContact N-O 3.4Å; E443-L454 PolarHBondContact O-N 3.11Å; E443-L523 HydrophobicContact CB-CD1 4.28Å; E443-L523 HydrophobicContact CB-CD2 4.46Å; E443-L523 HydrophobicContact CG-CB 4.02Å; E443-L523 HydrophobicContact CG-CD1 4.04Å; E443-L523 HydrophobicContact CG-CD2 4.23Å; E443-L523 HydrophobicContact CG-CG 4.31Å; E443-L523 WeakPolarHBondContact OE1-CB 3.42Å; E443-L527 HydrophobicContact CB-CB 4.45Å; E443-L527 HydrophobicContact CG-CB 4.43Å
444	G	92.1	Very high	89.5	Confident	5 Å²	5	35 Å²	35	5%	0.052	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	164	-176.4	0	0	0	0	0	113.3	D452	G444-D452 CarbonylContact C-O 3.57Å; G444-D452 WeakPolarHBondContact CA-O 3.3Å
445	Y	85.3	Confident	89.6	Confident	107 Å²	107	33.3 Å²	33.3	42%	0.42	17%	0.165	S	C	.	.	S	Bend	trans	-77.5	-32.4	175.9	178.3	-104.2	0	0	0	113.8	D452 T522 T524 Y525	Y445-D452 WeakPolarHBondContact CB-O 3.48Å; Y445-D452 PolarHBondContact N-O 2.95Å; Y445-T522 WeakPolarHBondContact CB-O 3.24Å; Y445-T522 HydrophobicContact CD2-CG2 3.7Å; Y445-T522 WeakPolarHBondContact CD2-O 3.23Å; Y445-T522 HydrophobicContact CE2-CG2 3.63Å; Y445-T524 HydrophobicContact CD2-CG2 3.86Å; Y445-T524 HydrophobicContact CE2-CG2 3.8Å; Y445-T524 PolarHBondContact O-OG1 2.8Å; Y445-Y525 WeakPolarHBondContact O-CD2 3.42Å; Y445-Y525 WeakPolarHBondContact O-CE2 3.07Å
446	S	76.8	Confident	89.7	Confident	21 Å²	21	28.3 Å²	28.3	15%	0.147	14%	0.143	C	C	.	.			trans	-154.3	157.1	-174.6	48.5	0	0	0	0	113.2	D448 R450	S446-D448 VanDerWaalsContact C-N 3.26Å; S446-D448 VanDerWaalsContact CB-OD1 3.26Å; S446-D448 WeakPolarHBondContact CB-OD1 3.43Å; S446-D448 PolarHBondContact O-N 3.31Å; S446-D448 PolarHBondContact OG-OD1 2.99Å; S446-R450 PolarHBondContact OG-O 3.45Å
447	H	77	Confident	89.8	Confident	64 Å²	64	26.2 Å²	26.2	30%	0.296	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-2.4	176.1	-67.1	-29.8	0	0	0	113.9	R449 Y525 F537	H447-R449 PolarHBondContact O-N 2.7Å; H447-Y525 AromaticContact CD2-CE1 3.57Å; H447-Y525 AromaticContact CD2-CZ 3.83Å; H447-Y525 AromaticContact CE1-CD1 3.35Å; H447-Y525 WeakPolarHBondContact CE1-CD1 3.44Å; H447-Y525 AromaticContact CE1-CE1 3.49Å; H447-Y525 VanDerWaalsContact CE1-CE1 3.49Å; H447-Y525 WeakPolarHBondContact CE1-CE1 3.05Å; H447-Y525 AromaticContact CE1-CG 3.83Å; H447-Y525 AromaticContact NE2-CD1 3.37Å; H447-Y525 WeakPolarHBondContact NE2-CD1 3.05Å; H447-Y525 AromaticContact NE2-CE1 3.08Å; H447-Y525 WeakPolarHBondContact NE2-CE1 3.19Å; H447-Y525 AromaticContact NE2-CZ 3.8Å; H447-F537 HydrophobicContact CB-CB 4.37Å; H447-F537 HydrophobicContact CB-CD1 3.65Å; H447-F537 HydrophobicContact CB-CD2 4.12Å; H447-F537 HydrophobicContact CB-CE1 3.84Å; H447-F537 HydrophobicContact CB-CE2 4.3Å; H447-F537 HydrophobicContact CB-CG 3.8Å; H447-F537 HydrophobicContact CB-CZ 4.17Å; H447-F537 AromaticContact CE1-CD2 3.87Å; H447-F537 AromaticContact CG-CD2 3.71Å; H447-F537 AromaticContact CG-CE2 3.93Å; H447-F537 AromaticContact CG-CG 3.85Å; H447-F537 AromaticContact ND1-CD2 3.48Å; H447-F537 WeakPolarHBondContact ND1-CD2 3.49Å; H447-F537 AromaticContact ND1-CG 3.68Å; H447-F537 WeakPolarHBondContact O-CD1 3.23Å
448	D	73.4	Confident	89.9	Confident	74 Å²	74	23.2 Å²	23.2	40%	0.396	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	2.4	175.7	73.9	-16.1	0	0	0	113.3	S446 R450	S446-D448 VanDerWaalsContact C-N 3.26Å; S446-D448 VanDerWaalsContact CB-OD1 3.26Å; S446-D448 WeakPolarHBondContact CB-OD1 3.43Å; S446-D448 PolarHBondContact O-N 3.31Å; S446-D448 PolarHBondContact OG-OD1 2.99Å; D448-R450 PolarHBondContact O-N 2.85Å; D448-R450 WeakPolarHBondContact OD1-CB 3.32Å; D448-R450 PolarHBondContact OD1-N 3.27Å
449	R	78.1	Confident	89.9	Confident	11 Å²	11	23.8 Å²	23.8	4%	0.042	12%	0.116	C	C	.	.	S	Bend	trans	68.8	11.3	-176.6	-52.6	176.1	-79.5	-86.4	-13.1	115.2	A344 F345 L346 H447 N536 I538 T540	A344-R449 PolarHBondContact O-NH2 3.48Å; F345-R449 PolarHBondContact O-NE 3.3Å; F345-R449 PolarHBondContact O-NH2 3.11Å; L346-R449 VanDerWaalsContact CB-NH1 3.32Å; H447-R449 PolarHBondContact O-N 2.7Å; R449-N536 WeakPolarHBondContact CD-O 3.45Å; R449-N536 WeakPolarHBondContact CG-O 3.21Å; R449-N536 PolarHBondContact NH1-O 3.2Å; R449-I538 VanDerWaalsContact CD-O 3.3Å; R449-I538 WeakPolarHBondContact CD-O 2.89Å; R449-I538 WeakPolarHBondContact CG-O 3.48Å; R449-T540 HydrophobicContact CB-CG2 4.15Å
450	R	79.3	Confident	89.6	Confident	148 Å²	148	30 Å²	30	56%	0.558	15%	0.145	S	C	*	.			trans	-105.9	172.7	176.8	-60.4	179.8	66.3	-174.9	-1.1	110.6	F345 S446 D448	F345-R450 HydrophobicContact CE2-CG 4.42Å; S446-R450 PolarHBondContact OG-O 3.45Å; D448-R450 PolarHBondContact O-N 2.85Å; D448-R450 WeakPolarHBondContact OD1-CB 3.32Å; D448-R450 PolarHBondContact OD1-N 3.27Å
451	G	85.1	Confident	89.5	Confident	32 Å²	32	30 Å²	30	33%	0.33	15%	0.145	S	C	.	.	S	Bend	trans	79.6	-164.7	174.9	0	0	0	0	0	113
452	D	92.1	Very high	89.5	Confident	9 Å²	9	32.6 Å²	32.6	5%	0.048	16%	0.155	C	C	.	.			trans	-69.5	142.3	-171.6	-52.8	-2.5	0	0	0	110.5	G444 Y445 D468 G470 L521 T522	G444-D452 CarbonylContact C-O 3.57Å; G444-D452 WeakPolarHBondContact CA-O 3.3Å; Y445-D452 WeakPolarHBondContact CB-O 3.48Å; Y445-D452 PolarHBondContact N-O 2.95Å; D452-D468 VanDerWaalsContact CA-O 3.22Å; D452-D468 WeakPolarHBondContact CA-O 3.35Å; D452-D468 VanDerWaalsContact CB-O 3.29Å; D452-D468 WeakPolarHBondContact CB-O 3.47Å; D452-G470 VanDerWaalsContact OD1-CA 3.26Å; D452-G470 WeakPolarHBondContact OD1-CA 3.43Å; D452-G470 PolarHBondContact OD1-N 2.9Å; D452-L521 HydrophobicContact CB-CD1 3.87Å; D452-T522 WeakPolarHBondContact CB-O 3.43Å; D452-T522 WeakPolarHBondContact OD2-CA 3.23Å; D452-T522 WeakPolarHBondContact OD2-CB 3.26Å; D452-T522 PolarHBondContact OD2-N 2.76Å; D452-T522 PolarHBondContact OD2-OG1 2.88Å
453	F	94.1	Very high	89.6	Confident	2 Å²	2	32.2 Å²	32.2	1%	0.009	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	161.8	172.9	73.7	-89.4	0	0	0	110.8	Y442 E443 A455 A466 F467 D468 S539 H541 I542	Y442-F453 HydrophobicContact CE2-CB 4.15Å; Y442-F453 HydrophobicContact CE2-CD2 4.12Å; Y442-F453 HydrophobicContact CE2-CG 4.36Å; E443-F453 CarbonylContact O-C 3.51Å; E443-F453 VanDerWaalsContact O-CA 3.24Å; E443-F453 WeakPolarHBondContact O-CA 3.43Å; E443-F453 WeakPolarHBondContact O-CB 3.4Å; F453-A455 HydrophobicContact CD2-CB 4.12Å; F453-A455 HydrophobicContact CE2-CB 4.17Å; F453-A466 HydrophobicContact CE2-CB 3.88Å; F453-A466 HydrophobicContact CZ-CB 4.33Å; F453-F467 CarbonylContact O-C 3.58Å; F453-F467 WeakPolarHBondContact O-CA 3.14Å; F453-F467 WeakPolarHBondContact O-CB 3.4Å; F453-D468 HydrophobicContact CD1-CB 3.64Å; F453-D468 HydrophobicContact CE1-CB 3.52Å; F453-D468 HydrophobicContact CZ-CB 4.39Å; F453-D468 PolarHBondContact N-O 2.9Å; F453-D468 PolarHBondContact O-N 2.75Å; F453-S539 WeakPolarHBondContact CD1-OG 2.94Å; F453-S539 WeakPolarHBondContact CE1-OG 3.16Å; F453-H541 HydrophobicContact CE1-CB 4.18Å; F453-H541 HydrophobicContact CZ-CB 4.16Å; F453-I542 HydrophobicContact CE2-CG2 3.55Å; F453-I542 HydrophobicContact CZ-CG2 3.74Å
454	L	95.2	Very high	89.7	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	129.6	168.3	176.6	63.1	0	0	0	108.5	L417 T425 L427 Y442 E443 V465 A466 F467 F492 L521	L417-L454 HydrophobicContact CD1-CD2 3.93Å; T425-L454 HydrophobicContact CG2-CD2 4.32Å; L427-L454 HydrophobicContact CD1-CD2 4.3Å; Y442-L454 WeakPolarHBondContact CA-O 3.24Å; E443-L454 PolarHBondContact N-O 3.4Å; E443-L454 PolarHBondContact O-N 3.11Å; L454-V465 HydrophobicContact CD1-CG1 4.16Å; L454-A466 CarbonylContact C-O 3.52Å; L454-F467 HydrophobicContact CD1-CB 3.91Å; L454-F492 HydrophobicContact CD1-CD1 4.38Å; L454-F492 HydrophobicContact CD1-CE1 3.71Å; L454-F492 HydrophobicContact CD1-CZ 4.1Å; L454-F492 HydrophobicContact CD2-CE1 4.46Å; L454-L521 HydrophobicContact CB-CD2 4.45Å
455	A	96.4	Very high	90	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	143.1	-179.5	0	0	0	0	0	112	L439 L441 Y442 F453 V465 A466 I542	L439-A455 HydrophobicContact CD1-CB 4.45Å; L441-A455 CarbonylContact O-C 3.6Å; L441-A455 WeakPolarHBondContact O-CA 3.42Å; Y442-A455 HydrophobicContact CD2-CB 3.99Å; F453-A455 HydrophobicContact CD2-CB 4.12Å; F453-A455 HydrophobicContact CE2-CB 4.17Å; A455-V465 WeakPolarHBondContact O-CA 3.22Å; A455-A466 HydrophobicContact CB-CB 4.5Å; A455-A466 PolarHBondContact N-O 3.43Å; A455-A466 PolarHBondContact O-N 3.01Å; A455-I542 HydrophobicContact CB-CD1 3.71Å
456	I	97.9	Very high	90.5	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	130.1	167.5	-53.2	-173.9	0	0	0	107.6	L427 I440 L441 V463 V464 V465	L427-I456 HydrophobicContact CD1-CD1 3.75Å; L427-I456 HydrophobicContact CD2-CD1 3.35Å; L427-I456 HydrophobicContact CG-CD1 4.17Å; I440-I456 WeakPolarHBondContact CA-O 3.46Å; I440-I456 HydrophobicContact CB-CG2 4.43Å; I440-I456 WeakPolarHBondContact CB-O 3.34Å; I440-I456 HydrophobicContact CD1-CG2 4.24Å; I440-I456 PolarHBondContact N-O 2.86Å; L441-I456 HydrophobicContact CB-CB 4.1Å; L441-I456 HydrophobicContact CB-CG1 4.29Å; L441-I456 PolarHBondContact N-O 3.32Å; L441-I456 PolarHBondContact O-N 3.43Å; I456-V463 HydrophobicContact CG2-CG1 4.18Å; I456-V464 WeakPolarHBondContact CA-O 3.46Å; I456-V465 HydrophobicContact CD1-CG2 4.45Å; I456-V465 HydrophobicContact CG1-CG1 4.45Å; I456-V465 HydrophobicContact CG1-CG2 4.11Å; I456-V465 HydrophobicContact CG2-CG2 4.43Å
457	M	96.3	Very high	91.4	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	159.7	-176.5	60	-169.1	175	0	0	111.4	G438 L439 V459 V464 I542 F545 I546	G438-M457 WeakPolarHBondContact O-CA 3.42Å; L439-M457 HydrophobicContact CD1-CB 4.39Å; M457-V459 HydrophobicContact CE-CG2 4.22Å; M457-V459 HydrophobicContact CG-CG2 3.94Å; M457-V459 HydrophobicContact SD-CG2 4.22Å; M457-V464 HydrophobicContact CE-CB 3.89Å; M457-V464 HydrophobicContact CE-CG1 3.45Å; M457-V464 VanDerWaalsContact CE-CG1 3.45Å; M457-V464 HydrophobicContact CG-CB 3.93Å; M457-V464 HydrophobicContact CG-CG1 4.47Å; M457-V464 PolarHBondContact N-O 2.98Å; M457-V464 PolarHBondContact O-N 2.9Å; M457-I542 HydrophobicContact CE-CG2 4.47Å; M457-I542 HydrophobicContact SD-CB 4.31Å; M457-F545 HydrophobicContact CE-CB 3.52Å; M457-F545 HydrophobicContact CE-CD1 4.05Å; M457-F545 HydrophobicContact CE-CD2 3.72Å; M457-F545 HydrophobicContact CE-CE2 4.41Å; M457-F545 HydrophobicContact CE-CG 3.49Å; M457-F545 VanDerWaalsContact CE-CG 3.49Å; M457-F545 HydrophobicContact SD-CB 3.58Å; M457-F545 VanDerWaalsContact SD-CB 3.58Å; M457-F545 HydrophobicContact SD-CG 4.25Å; M457-I546 HydrophobicContact CB-CG2 4.3Å; M457-I546 HydrophobicContact SD-CG2 3.86Å
458	L	95.9	Very high	92.1	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.005	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	132.5	166.4	-65.2	175.9	0	0	0	109.6	F431 P433 P436 N437 G438 I440 Y462 V463 I482 F556	F431-L458 HydrophobicContact CE2-CD1 4.1Å; F431-L458 HydrophobicContact CE2-CD2 4.03Å; F431-L458 HydrophobicContact CZ-CD2 4.24Å; P433-L458 HydrophobicContact CB-CD1 3.64Å; P436-L458 WeakPolarHBondContact O-CB 3.21Å; N437-L458 VanDerWaalsContact CA-O 3.28Å; N437-L458 WeakPolarHBondContact CA-O 3.13Å; G438-L458 PolarHBondContact N-O 3.03Å; G438-L458 VanDerWaalsContact N-O 3.08Å; G438-L458 PolarHBondContact O-N 3.1Å; I440-L458 HydrophobicContact CD1-CD1 4.24Å; I440-L458 HydrophobicContact CD1-CD2 4.12Å; I440-L458 HydrophobicContact CD1-CG 3.73Å; I440-L458 HydrophobicContact CG1-CG 4.34Å; L458-Y462 CarbonylContact C-O 3.54Å; L458-Y462 WeakPolarHBondContact CA-O 3.37Å; L458-V463 HydrophobicContact CD2-CG2 3.85Å; L458-I482 HydrophobicContact CD1-CD1 4.29Å; L458-I482 HydrophobicContact CD2-CD1 3.39Å; L458-I482 HydrophobicContact CG-CD1 4.49Å; L458-F556 HydrophobicContact CD1-CD2 3.92Å; L458-F556 HydrophobicContact CD1-CE2 3.79Å
459	V	92.5	Very high	93	Very high	17 Å²	17	20.1 Å²	20.1	10%	0.103	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	110.3	176.4	-172.5	0	0	0	0	108.6	M457 G461 Y462 V464 F545	M457-V459 HydrophobicContact CE-CG2 4.22Å; M457-V459 HydrophobicContact CG-CG2 3.94Å; M457-V459 HydrophobicContact SD-CG2 4.22Å; V459-G461 PolarHBondContact O-N 2.88Å; V459-Y462 PolarHBondContact N-O 3.03Å; V459-Y462 WeakPolarHBondContact O-CB 3.48Å; V459-Y462 PolarHBondContact O-N 3.39Å; V459-V464 HydrophobicContact CB-CG2 4.02Å; V459-V464 HydrophobicContact CG2-CB 4.19Å; V459-V464 HydrophobicContact CG2-CG2 3.77Å; V459-F545 HydrophobicContact CG1-CD1 4.12Å; V459-F545 HydrophobicContact CG2-CB 3.83Å; V459-F545 HydrophobicContact CG2-CD1 4Å; V459-F545 HydrophobicContact CG2-CG 4.33Å
460	H	91.3	Very high	93.5	Very high	129 Å²	129	21.4 Å²	21.4	60%	0.597	11%	0.112	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.7	40.8	-179.3	-52.7	116	0	0	0	113.4	P436 N437 Y462	P436-H460 PolarHBondContact O-N 3.46Å; N437-H460 PolarHBondContact OD1-N 2.86Å; H460-Y462 VanDerWaalsContact C-N 3.34Å; H460-Y462 WeakPolarHBondContact O-CD2 3.29Å; H460-Y462 WeakPolarHBondContact O-CE2 3.4Å
461	G	94.2	Very high	93.7	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.5	9.8	-179.4	0	0	0	0	0	114.5	P436 V459 E481 I482	P436-G461 PolarHBondContact O-N 2.93Å; V459-G461 PolarHBondContact O-N 2.88Å; G461-E481 WeakPolarHBondContact O-CG 3.33Å; G461-I482 WeakPolarHBondContact O-CG1 3.18Å; G461-I482 PolarHBondContact O-N 3.49Å
462	Y	96.4	Very high	93.8	Very high	57 Å²	57	16.5 Å²	16.5	22%	0.224	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	140.4	173.9	-61.5	-92.6	0	0	0	110.8	L458 V459 H460 K477 N478 K480 E481	L458-Y462 CarbonylContact C-O 3.54Å; L458-Y462 WeakPolarHBondContact CA-O 3.37Å; V459-Y462 PolarHBondContact N-O 3.03Å; V459-Y462 WeakPolarHBondContact O-CB 3.48Å; V459-Y462 PolarHBondContact O-N 3.39Å; H460-Y462 VanDerWaalsContact C-N 3.34Å; H460-Y462 WeakPolarHBondContact O-CD2 3.29Å; H460-Y462 WeakPolarHBondContact O-CE2 3.4Å; Y462-K477 VanDerWaalsContact CB-CE 3.43Å; Y462-K477 HydrophobicContact CD1-CD 4.44Å; Y462-K477 HydrophobicContact CD1-CG 4.41Å; Y462-K477 VanDerWaalsContact CD2-CE 3.48Å; Y462-K477 HydrophobicContact CG-CD 4.32Å; Y462-K477 HydrophobicContact CG-CG 4.32Å; Y462-N478 VanDerWaalsContact CA-OD1 3.32Å; Y462-N478 WeakPolarHBondContact CA-OD1 3.5Å; Y462-N478 WeakPolarHBondContact CB-OD1 3.42Å; Y462-N478 WeakPolarHBondContact CD1-O 3.35Å; Y462-K480 VanDerWaalsContact CE1-C 3.5Å; Y462-E481 HydrophobicContact CE1-CB 4.34Å; Y462-E481 HydrophobicContact CE2-CB 4.49Å
463	V	97.6	Very high	93.8	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	122.6	169.2	178.4	0	0	0	0	108.1	F431 I456 L458 K477 N478 I482 V490 L501 V503	F431-V463 HydrophobicContact CE1-CG2 4.32Å; F431-V463 HydrophobicContact CZ-CG2 3.78Å; I456-V463 HydrophobicContact CG2-CG1 4.18Å; L458-V463 HydrophobicContact CD2-CG2 3.85Å; V463-K477 WeakPolarHBondContact O-CA 3.46Å; V463-N478 PolarHBondContact N-OD1 3.4Å; V463-N478 PolarHBondContact O-N 3.06Å; V463-N478 VanDerWaalsContact O-N 3.15Å; V463-N478 PolarHBondContact O-OD1 2.94Å; V463-I482 HydrophobicContact CG2-CD1 4.26Å; V463-I482 HydrophobicContact CG2-CG2 4.04Å; V463-V490 HydrophobicContact CG1-CG1 4.21Å; V463-V490 HydrophobicContact CG1-CG2 3.91Å; V463-V490 HydrophobicContact CG2-CG2 4.29Å; V463-L501 HydrophobicContact CG1-CD1 4.34Å; V463-V503 HydrophobicContact CB-CG2 3.93Å; V463-V503 HydrophobicContact CG1-CG2 4.2Å; V463-V503 HydrophobicContact CG2-CG1 4.32Å; V463-V503 HydrophobicContact CG2-CG2 4.1Å
464	V	97.1	Very high	93.8	Very high	7 Å²	7	16.7 Å²	16.7	4%	0.042	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	126.6	174.5	-176.9	0	0	0	0	109.4	I456 M457 V459 F475 L476 K477	I456-V464 WeakPolarHBondContact CA-O 3.46Å; M457-V464 HydrophobicContact CE-CB 3.89Å; M457-V464 HydrophobicContact CE-CG1 3.45Å; M457-V464 VanDerWaalsContact CE-CG1 3.45Å; M457-V464 HydrophobicContact CG-CB 3.93Å; M457-V464 HydrophobicContact CG-CG1 4.47Å; M457-V464 PolarHBondContact N-O 2.98Å; M457-V464 PolarHBondContact O-N 2.9Å; V459-V464 HydrophobicContact CB-CG2 4.02Å; V459-V464 HydrophobicContact CG2-CB 4.19Å; V459-V464 HydrophobicContact CG2-CG2 3.77Å; V464-F475 HydrophobicContact CG1-CD1 4.42Å; V464-L476 CarbonylContact C-O 3.53Å; V464-L476 WeakPolarHBondContact CA-O 3.39Å; V464-L476 WeakPolarHBondContact CG1-O 3.43Å; V464-K477 HydrophobicContact CG2-CB 4.21Å; V464-K477 HydrophobicContact CG2-CG 4.07Å
465	V	97.6	Very high	93.8	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	129.5	168.8	-177.4	0	0	0	0	108.6	L454 A455 I456 F475 L476 F492 L501	L454-V465 HydrophobicContact CD1-CG1 4.16Å; A455-V465 WeakPolarHBondContact O-CA 3.22Å; I456-V465 HydrophobicContact CD1-CG2 4.45Å; I456-V465 HydrophobicContact CG1-CG1 4.45Å; I456-V465 HydrophobicContact CG1-CG2 4.11Å; I456-V465 HydrophobicContact CG2-CG2 4.43Å; V465-F475 WeakPolarHBondContact O-CA 3.45Å; V465-L476 HydrophobicContact CB-CB 4.47Å; V465-L476 PolarHBondContact N-O 2.77Å; V465-L476 PolarHBondContact O-N 3.28Å; V465-F492 HydrophobicContact CB-CD2 4.23Å; V465-F492 HydrophobicContact CB-CE2 4.48Å; V465-F492 HydrophobicContact CG1-CD1 4.45Å; V465-F492 HydrophobicContact CG1-CD2 3.64Å; V465-F492 HydrophobicContact CG1-CE1 4.44Å; V465-F492 HydrophobicContact CG1-CE2 3.63Å; V465-F492 HydrophobicContact CG1-CG 4.06Å; V465-F492 HydrophobicContact CG1-CZ 4.04Å; V465-F492 HydrophobicContact CG2-CD2 4.29Å; V465-L501 HydrophobicContact CG2-CD1 3.8Å; V465-L501 HydrophobicContact CG2-CD2 4.14Å; V465-L501 HydrophobicContact CG2-CG 4.43Å
466	A	96	Very high	93.8	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	137.1	175.9	0	0	0	0	0	110.2	F453 L454 A455 A474 F475 I542	F453-A466 HydrophobicContact CE2-CB 3.88Å; F453-A466 HydrophobicContact CZ-CB 4.33Å; L454-A466 CarbonylContact C-O 3.52Å; A455-A466 HydrophobicContact CB-CB 4.5Å; A455-A466 PolarHBondContact N-O 3.43Å; A455-A466 PolarHBondContact O-N 3.01Å; A466-A474 VanDerWaalsContact CA-O 3.24Å; A466-A474 WeakPolarHBondContact CA-O 3.22Å; A466-F475 HydrophobicContact CB-CD1 3.69Å; A466-F475 HydrophobicContact CB-CE1 3.71Å; A466-I542 HydrophobicContact CB-CG2 3.78Å
467	F	95.3	Very high	93.7	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	153.2	173	66.1	-88.3	0	0	0	111.7	F453 L454 L469 S473 A474 L476 F492 R494 R497	F453-F467 CarbonylContact O-C 3.58Å; F453-F467 WeakPolarHBondContact O-CA 3.14Å; F453-F467 WeakPolarHBondContact O-CB 3.4Å; L454-F467 HydrophobicContact CD1-CB 3.91Å; F467-L469 HydrophobicContact CD2-CD2 4.31Å; F467-L469 HydrophobicContact CD2-CG 4.3Å; F467-L469 HydrophobicContact CE2-CD1 4.49Å; F467-L469 HydrophobicContact CE2-CG 4.47Å; F467-S473 CarbonylContact O-C 3.59Å; F467-S473 VanDerWaalsContact O-CA 3.3Å; F467-S473 WeakPolarHBondContact O-CA 3.47Å; F467-A474 HydrophobicContact CD1-CB 4Å; F467-A474 HydrophobicContact CD2-CB 4.33Å; F467-A474 HydrophobicContact CE1-CB 3.56Å; F467-A474 HydrophobicContact CE2-CB 3.92Å; F467-A474 HydrophobicContact CG-CB 4.36Å; F467-A474 HydrophobicContact CZ-CB 3.51Å; F467-A474 PolarHBondContact N-O 2.95Å; F467-A474 VanDerWaalsContact N-O 3.13Å; F467-A474 PolarHBondContact O-N 2.68Å; F467-L476 HydrophobicContact CD1-CD1 4.21Å; F467-L476 HydrophobicContact CE1-CD1 3.65Å; F467-F492 HydrophobicContact CD1-CE2 4.16Å; F467-F492 AromaticContact CD1-CZ 3.86Å; F467-F492 HydrophobicContact CD1-CZ 3.86Å; F467-F492 HydrophobicContact CE1-CE2 4.12Å; F467-F492 HydrophobicContact CE1-CZ 4.07Å; F467-R494 HydrophobicContact CE2-CG 4.28Å; F467-R494 HydrophobicContact CZ-CG 4.33Å; F467-R497 WeakPolarHBondContact CE2-O 3.47Å; F467-R497 WeakPolarHBondContact CZ-O 3.4Å
468	D	93.4	Very high	93.7	Very high	8 Å²	8	23.6 Å²	23.6	4%	0.043	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	142.2	176	-155	-41.5	0	0	0	109.6	D452 F453 G470 S471 G472 S473	D452-D468 VanDerWaalsContact CA-O 3.22Å; D452-D468 WeakPolarHBondContact CA-O 3.35Å; D452-D468 VanDerWaalsContact CB-O 3.29Å; D452-D468 WeakPolarHBondContact CB-O 3.47Å; F453-D468 HydrophobicContact CD1-CB 3.64Å; F453-D468 HydrophobicContact CE1-CB 3.52Å; F453-D468 HydrophobicContact CZ-CB 4.39Å; F453-D468 PolarHBondContact N-O 2.9Å; F453-D468 PolarHBondContact O-N 2.75Å; D468-G470 PolarHBondContact OD1-N 2.86Å; D468-S471 PolarHBondContact OD1-N 2.95Å; D468-G472 VanDerWaalsContact CG-C 3.42Å; D468-G472 PolarHBondContact OD1-N 2.85Å; D468-G472 WeakPolarHBondContact OD2-CA 3.17Å; D468-S473 WeakPolarHBondContact OD2-CA 3.04Å; D468-S473 PolarHBondContact OD2-N 2.86Å; D468-S473 PolarHBondContact OD2-OG 2.91Å
469	L	91.7	Very high	93.4	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.005	16%	0.155	C	C	.	.			trans	-113.8	24.4	177	-51.3	178.2	0	0	0	110.5	F467 R497 S514 Q518 L521	F467-L469 HydrophobicContact CD2-CD2 4.31Å; F467-L469 HydrophobicContact CD2-CG 4.3Å; F467-L469 HydrophobicContact CE2-CD1 4.49Å; F467-L469 HydrophobicContact CE2-CG 4.47Å; L469-R497 HydrophobicContact CD1-CB 4.48Å; L469-R497 HydrophobicContact CD1-CG 4.15Å; L469-S514 PolarHBondContact N-OG 3.33Å; L469-Q518 HydrophobicContact CB-CB 4.2Å; L469-Q518 WeakPolarHBondContact CD1-O 3.45Å; L469-Q518 WeakPolarHBondContact O-CB 3.44Å; L469-Q518 PolarHBondContact O-OE1 3Å; L469-L521 HydrophobicContact CD2-CB 3.64Å; L469-L521 HydrophobicContact CD2-CD1 4.11Å; L469-L521 HydrophobicContact CD2-CG 4.4Å
470	G	87.8	Confident	93.4	Very high	38 Å²	38	33.4 Å²	33.4	39%	0.392	17%	0.174	S	C	.	.	S	Bend	trans	95.5	-4.2	171.6	0	0	0	0	0	115	D452 D468	D452-G470 VanDerWaalsContact OD1-CA 3.26Å; D452-G470 WeakPolarHBondContact OD1-CA 3.43Å; D452-G470 PolarHBondContact OD1-N 2.9Å; D468-G470 PolarHBondContact OD1-N 2.86Å
471	S	84.6	Confident	93.5	Very high	61 Å²	61	33 Å²	33	43%	0.427	17%	0.173	S	C	.	.	S	Bend	trans	-129.8	2.1	-178.1	-63.1	0	0	0	0	114	D468 F515	D468-S471 PolarHBondContact OD1-N 2.95Å; S471-F515 CarbonylContact C-O 3.48Å; S471-F515 VanDerWaalsContact CB-O 3.23Å; S471-F515 WeakPolarHBondContact CB-O 3.34Å
472	G	87.1	Confident	93.6	Very high	16 Å²	16	33.6 Å²	33.6	17%	0.165	18%	0.175	C	C	.	.			trans	148.3	140.7	174.3	0	0	0	0	0	112.9	D468 S514 F515	D468-G472 VanDerWaalsContact CG-C 3.42Å; D468-G472 PolarHBondContact OD1-N 2.85Å; D468-G472 WeakPolarHBondContact OD2-CA 3.17Å; G472-S514 WeakPolarHBondContact O-CB 3.45Å; G472-S514 PolarHBondContact O-OG 3.31Å; G472-F515 PolarHBondContact O-N 2.82Å
473	S	91.1	Very high	93.5	Very high	15 Å²	15	36.9 Å²	36.9	11%	0.105	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	142	-171.4	-36.4	0	0	0	0	112.8	F467 D468 H541	F467-S473 CarbonylContact O-C 3.59Å; F467-S473 VanDerWaalsContact O-CA 3.3Å; F467-S473 WeakPolarHBondContact O-CA 3.47Å; D468-S473 WeakPolarHBondContact OD2-CA 3.04Å; D468-S473 PolarHBondContact OD2-N 2.86Å; D468-S473 PolarHBondContact OD2-OG 2.91Å; S473-H541 WeakPolarHBondContact OG-CB 3.18Å; S473-H541 VanDerWaalsContact OG-CG 3.26Å; S473-H541 PolarHBondContact OG-ND1 2.75Å
474	A	93.7	Very high	93.4	Very high	1 Å²	1	40 Å²	40	1%	0.008	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	145.7	167.6	0	0	0	0	0	110.1	A466 F467 Y513	A466-A474 VanDerWaalsContact CA-O 3.24Å; A466-A474 WeakPolarHBondContact CA-O 3.22Å; F467-A474 HydrophobicContact CD1-CB 4Å; F467-A474 HydrophobicContact CD2-CB 4.33Å; F467-A474 HydrophobicContact CE1-CB 3.56Å; F467-A474 HydrophobicContact CE2-CB 3.92Å; F467-A474 HydrophobicContact CG-CB 4.36Å; F467-A474 HydrophobicContact CZ-CB 3.51Å; F467-A474 PolarHBondContact N-O 2.95Å; F467-A474 VanDerWaalsContact N-O 3.13Å; F467-A474 PolarHBondContact O-N 2.68Å; A474-Y513 VanDerWaalsContact CB-C 3.45Å; A474-Y513 WeakPolarHBondContact CB-O 3.42Å
475	F	95.5	Very high	93.1	Very high	63 Å²	63	43.6 Å²	43.6	28%	0.276	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	127.2	174.5	-62.8	-93.3	0	0	0	109.9	V464 V465 A466 N512 H541 I542 F545	V464-F475 HydrophobicContact CG1-CD1 4.42Å; V465-F475 WeakPolarHBondContact O-CA 3.45Å; A466-F475 HydrophobicContact CB-CD1 3.69Å; A466-F475 HydrophobicContact CB-CE1 3.71Å; F475-N512 PolarHBondContact O-ND2 2.96Å; F475-H541 HydrophobicContact CZ-CB 4.45Å; F475-I542 HydrophobicContact CE1-CG2 4.22Å; F475-F545 AromaticContact CD1-CE2 3.96Å; F475-F545 HydrophobicContact CD1-CE2 3.96Å; F475-F545 HydrophobicContact CD1-CZ 4.06Å; F475-F545 HydrophobicContact CE1-CD2 4.13Å; F475-F545 AromaticContact CE1-CE2 3.42Å; F475-F545 HydrophobicContact CE1-CE2 3.42Å; F475-F545 VanDerWaalsContact CE1-CE2 3.42Å; F475-F545 AromaticContact CE1-CZ 3.97Å; F475-F545 HydrophobicContact CE1-CZ 3.97Å; F475-F545 AromaticContact CZ-CE2 3.98Å; F475-F545 HydrophobicContact CZ-CE2 3.98Å
476	L	97	Very high	92.7	Very high	4 Å²	4	48.1 Å²	48.1	2%	0.021	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	132.4	173.8	-61.4	95.7	0	0	0	108.3	V464 V465 F467 F492 G499 L501 M510 N512	V464-L476 CarbonylContact C-O 3.53Å; V464-L476 WeakPolarHBondContact CA-O 3.39Å; V464-L476 WeakPolarHBondContact CG1-O 3.43Å; V465-L476 HydrophobicContact CB-CB 4.47Å; V465-L476 PolarHBondContact N-O 2.77Å; V465-L476 PolarHBondContact O-N 3.28Å; F467-L476 HydrophobicContact CD1-CD1 4.21Å; F467-L476 HydrophobicContact CE1-CD1 3.65Å; L476-F492 HydrophobicContact CD1-CE2 4.39Å; L476-G499 WeakPolarHBondContact CD2-O 3.39Å; L476-L501 HydrophobicContact CB-CB 3.91Å; L476-L501 HydrophobicContact CB-CD2 3.87Å; L476-L501 HydrophobicContact CD2-CB 3.93Å; L476-M510 WeakPolarHBondContact CD2-O 3.49Å; L476-N512 HydrophobicContact CD1-CB 4.37Å; L476-N512 HydrophobicContact CD2-CB 4.45Å; L476-N512 HydrophobicContact CG-CB 3.95Å
477	K	95.4	Very high	92.4	Very high	69 Å²	69	50.3 Å²	50.3	30%	0.3	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	132.9	179	179.9	-166	171.6	-171.5	0	107.9	Y462 V463 V464 M510	Y462-K477 VanDerWaalsContact CB-CE 3.43Å; Y462-K477 HydrophobicContact CD1-CD 4.44Å; Y462-K477 HydrophobicContact CD1-CG 4.41Å; Y462-K477 VanDerWaalsContact CD2-CE 3.48Å; Y462-K477 HydrophobicContact CG-CD 4.32Å; Y462-K477 HydrophobicContact CG-CG 4.32Å; V463-K477 WeakPolarHBondContact O-CA 3.46Å; V464-K477 HydrophobicContact CG2-CB 4.21Å; V464-K477 HydrophobicContact CG2-CG 4.07Å; K477-M510 WeakPolarHBondContact O-CE 3.44Å; K477-M510 VanDerWaalsContact O-CG 3.24Å; K477-M510 WeakPolarHBondContact O-CG 3.28Å
478	N	95.6	Very high	92.4	Very high	8 Å²	8	50.6 Å²	50.6	4%	0.043	26%	0.257	C	S	.	.			trans	-67	153.2	174.3	73.3	-46.3	0	0	0	112.1	Y462 V463 K480 V503	Y462-N478 VanDerWaalsContact CA-OD1 3.32Å; Y462-N478 WeakPolarHBondContact CA-OD1 3.5Å; Y462-N478 WeakPolarHBondContact CB-OD1 3.42Å; Y462-N478 WeakPolarHBondContact CD1-O 3.35Å; V463-N478 PolarHBondContact N-OD1 3.4Å; V463-N478 PolarHBondContact O-N 3.06Å; V463-N478 VanDerWaalsContact O-N 3.15Å; V463-N478 PolarHBondContact O-OD1 2.94Å; N478-K480 PolarHBondContact ND2-O 3.49Å; N478-V503 HydrophobicContact CB-CB 4.22Å; N478-V503 HydrophobicContact CB-CG2 3.71Å
479	E	90.5	Very high	92.4	Very high	106 Å²	106	52.9 Å²	52.9	50%	0.495	27%	0.269	S	S	.	.	S	Bend	trans	-72.3	-36.7	-173	-62.7	-169.7	139.2	0	0	113.7	H508 M510	E479-H508 IonicContact OE1-CD2 3.09Å; E479-H508 PolarHBondContact OE1-CD2 2.83Å; E479-H508 VanDerWaalsContact OE1-CD2 3.24Å; E479-H508 IonicContact OE1-CG 2.72Å; E479-H508 IonicContact OE1-NE2 3.54Å; E479-H508 IonicContact OE2-CG 3.49Å; E479-M510 HydrophobicContact CG-CE 4.47Å; E479-M510 HydrophobicContact CG-SD 3.48Å; E479-M510 WeakPolarHBondContact CG-SD 3.36Å
480	K	91.5	Very high	92.7	Very high	119 Å²	119	52.8 Å²	52.8	52%	0.517	27%	0.268	S	S	.	.	S	Bend	trans	-108.6	145.9	-172.3	-62.3	174.5	-164.3	151.2	0	111.2	Y462 N478 I482 D506	Y462-K480 VanDerWaalsContact CE1-C 3.5Å; N478-K480 PolarHBondContact ND2-O 3.49Å; K480-I482 PolarHBondContact O-N 3.1Å; K480-D506 IonicContact NZ-OD1 2.56Å; K480-D506 PolarHBondContact NZ-OD1 3.45Å
481	E	94.6	Very high	93	Very high	121 Å²	121	53.6 Å²	53.6	57%	0.565	26%	0.262	S	S	*	.	P	Polyproline II helix	trans	-63.5	134.6	171.6	-164.3	-175.5	167.2	0	0	110.5	G461 Y462	G461-E481 WeakPolarHBondContact O-CG 3.33Å; Y462-E481 HydrophobicContact CE1-CB 4.34Å; Y462-E481 HydrophobicContact CE2-CB 4.49Å
482	I	95.3	Very high	93.6	Very high	11 Å²	11	50.9 Å²	50.9	6%	0.056	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-77.7	159.5	174.8	76.2	-174.5	0	0	0	110.6	F431 P433 L458 G461 V463 K480 V503	F431-I482 HydrophobicContact CE2-CD1 3.79Å; F431-I482 HydrophobicContact CZ-CD1 3.8Å; P433-I482 HydrophobicContact CG-CD1 3.79Å; P433-I482 HydrophobicContact CG-CG1 4.32Å; L458-I482 HydrophobicContact CD1-CD1 4.29Å; L458-I482 HydrophobicContact CD2-CD1 3.39Å; L458-I482 HydrophobicContact CG-CD1 4.49Å; G461-I482 WeakPolarHBondContact O-CG1 3.18Å; G461-I482 PolarHBondContact O-N 3.49Å; V463-I482 HydrophobicContact CG2-CD1 4.26Å; V463-I482 HydrophobicContact CG2-CG2 4.04Å; K480-I482 PolarHBondContact O-N 3.1Å; I482-V503 HydrophobicContact CG2-CG1 4.25Å
483	K	94.9	Very high	94	Very high	126 Å²	126	53.1 Å²	53.1	55%	0.548	25%	0.246	S	C	.	.	P	Polyproline II helix	trans	-93.6	122.7	-179.2	-68.5	-179.1	-179.6	178	0	111.2	E486 H488	K483-E486 HydrophobicContact CB-CB 4.11Å; K483-E486 HydrophobicContact CB-CG 4.06Å; K483-E486 VanDerWaalsContact CD-CD 3.48Å; K483-E486 WeakPolarHBondContact CD-OE1 3.19Å; K483-E486 VanDerWaalsContact CD-OE2 3.29Å; K483-E486 WeakPolarHBondContact CD-OE2 3.49Å; K483-E486 PolarHBondContact O-N 3.49Å; K483-H488 PolarHBondContact N-CE1 3.42Å; K483-H488 PolarHBondContact N-NE2 2.86Å; K483-H488 VanDerWaalsContact N-NE2 3.13Å; K483-H488 PolarHBondContact O-NE2 3.48Å
484	L	95.4	Very high	94	Very high	65 Å²	65	52.5 Å²	52.5	34%	0.34	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	143.3	174.5	-58.5	-177.3	0	0	0	111.4	P433 E486	P433-L484 HydrophobicContact CB-CD2 4.07Å; P433-L484 HydrophobicContact CG-CD2 4.09Å; L484-E486 PolarHBondContact O-N 2.93Å
485	N	91	Very high	94	Very high	83 Å²	83	56.7 Å²	56.7	44%	0.444	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.1	13.7	-178.7	-51.8	-66.8	0	0	0	115	R432 P433 S434	R432-N485 PolarHBondContact NE-O 2.62Å; P433-N485 WeakPolarHBondContact O-CA 3.03Å; P433-N485 PolarHBondContact O-N 3.02Å; S434-N485 PolarHBondContact OG-OD1 2.75Å
486	E	89.8	Confident	93.8	Very high	96 Å²	96	54.4 Å²	54.4	45%	0.449	26%	0.257	S	S	.	.	S	Bend	trans	-107.4	158.8	168.9	-64.1	-171.3	-164.4	0	0	110.8	R432 P433 K483 L484 H488	R432-E486 WeakPolarHBondContact CA-O 3.38Å; R432-E486 WeakPolarHBondContact CG-O 3.16Å; P433-E486 WeakPolarHBondContact CD-O 3.4Å; K483-E486 HydrophobicContact CB-CB 4.11Å; K483-E486 HydrophobicContact CB-CG 4.06Å; K483-E486 VanDerWaalsContact CD-CD 3.48Å; K483-E486 WeakPolarHBondContact CD-OE1 3.19Å; K483-E486 VanDerWaalsContact CD-OE2 3.29Å; K483-E486 WeakPolarHBondContact CD-OE2 3.49Å; K483-E486 PolarHBondContact O-N 3.49Å; L484-E486 PolarHBondContact O-N 2.93Å; E486-H488 PolarHBondContact O-CD2 2.87Å
487	W	89.8	Confident	93.7	Very high	45 Å²	45	58.4 Å²	58.4	17%	0.17	27%	0.272	C	S	.	.			trans	-84.9	132.7	177.8	-74	94.4	0	0	0	110.6	M403 Q430 F431 R432 C559 S561 L607	M403-W487 HydrophobicContact CE-CH2 4.36Å; M403-W487 HydrophobicContact SD-CH2 3.63Å; M403-W487 HydrophobicContact SD-CZ2 4Å; Q430-W487 HydrophobicContact CG-CE3 3.89Å; Q430-W487 HydrophobicContact CG-CZ3 4.36Å; F431-W487 WeakPolarHBondContact O-CA 3.44Å; R432-W487 HydrophobicContact CB-CD2 3.8Å; R432-W487 HydrophobicContact CB-CE3 3.78Å; R432-W487 HydrophobicContact CB-CG 4.31Å; R432-W487 HydrophobicContact CB-CH2 4.23Å; R432-W487 HydrophobicContact CB-CZ2 4.26Å; R432-W487 HydrophobicContact CB-CZ3 4Å; W487-C559 HydrophobicContact CH2-CB 3.82Å; W487-C559 HydrophobicContact CZ2-CB 4.41Å; W487-C559 HydrophobicContact CZ3-CB 4.46Å; W487-S561 VanDerWaalsContact CZ3-OG 3.28Å; W487-S561 WeakPolarHBondContact CZ3-OG 3.47Å; W487-L607 HydrophobicContact CB-CD1 4.45Å; W487-L607 HydrophobicContact CB-CD2 3.93Å; W487-L607 VanDerWaalsContact CD1-CB 3.48Å; W487-L607 VanDerWaalsContact CD1-CD2 3.43Å; W487-L607 VanDerWaalsContact CD1-O 3.22Å; W487-L607 HydrophobicContact CD2-CD2 3.93Å; W487-L607 HydrophobicContact CG-CB 4.3Å; W487-L607 HydrophobicContact CG-CD2 3.47Å; W487-L607 VanDerWaalsContact CG-CD2 3.47Å; W487-L607 HydrophobicContact CG-CG 4.31Å; W487-L607 PolarHBondContact NE1-O 2.96Å
488	H	94.2	Very high	93.7	Very high	7 Å²	7	58.1 Å²	58.1	3%	0.032	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	153.3	178.2	-66	-71.6	0	0	0	110.8	Q430 F431 K483 E486 D504	Q430-H488 WeakPolarHBondContact CA-O 3.33Å; F431-H488 HydrophobicContact CD1-CB 4.09Å; F431-H488 HydrophobicContact CE1-CB 3.49Å; F431-H488 VanDerWaalsContact CE1-CB 3.49Å; F431-H488 HydrophobicContact CE2-CB 4.43Å; F431-H488 HydrophobicContact CZ-CB 3.71Å; F431-H488 PolarHBondContact N-O 2.99Å; F431-H488 PolarHBondContact O-N 3.2Å; K483-H488 PolarHBondContact N-CE1 3.42Å; K483-H488 PolarHBondContact N-NE2 2.86Å; K483-H488 VanDerWaalsContact N-NE2 3.13Å; K483-H488 PolarHBondContact O-NE2 3.48Å; E486-H488 PolarHBondContact O-CD2 2.87Å; H488-D504 WeakPolarHBondContact CA-OD1 3.28Å; H488-D504 WeakPolarHBondContact CB-OD1 3.36Å; H488-D504 IonicContact CE1-OD2 3.93Å; H488-D504 IonicContact CG-OD1 2.8Å; H488-D504 IonicContact CG-OD2 3.38Å; H488-D504 IonicContact ND1-OD1 3.49Å; H488-D504 PolarHBondContact ND1-OD1 2.8Å; H488-D504 IonicContact ND1-OD2 2.63Å; H488-D504 PolarHBondContact ND1-OD2 2.72Å
489	I	94.1	Very high	93.7	Very high	55 Å²	55	57.7 Å²	57.7	28%	0.282	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	127.1	174.1	-54.9	174.8	0	0	0	108.7	E428 L429 Q430 H491 V503 D504	E428-I489 HydrophobicContact CG-CG2 3.95Å; L429-I489 CarbonylContact O-C 3.55Å; L429-I489 WeakPolarHBondContact O-CA 3.36Å; Q430-I489 HydrophobicContact CB-CG1 4.45Å; Q430-I489 HydrophobicContact CG-CG1 4.11Å; I489-H491 VanDerWaalsContact CG2-NE2 3.29Å; I489-H491 WeakPolarHBondContact CG2-NE2 3.24Å; I489-V503 CarbonylContact O-C 3.55Å; I489-V503 WeakPolarHBondContact O-CA 3.28Å; I489-D504 PolarHBondContact N-OD1 2.71Å; I489-D504 PolarHBondContact O-N 3.18Å
490	V	97	Very high	94	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	125.3	171.1	-175.2	0	0	0	0	108.1	E428 L429 F431 V463 L501	E428-V490 CarbonylContact C-O 3.44Å; E428-V490 VanDerWaalsContact CA-O 3.26Å; E428-V490 WeakPolarHBondContact CA-O 3.2Å; L429-V490 HydrophobicContact CB-CB 4.33Å; L429-V490 HydrophobicContact CD2-CG2 4.46Å; L429-V490 PolarHBondContact N-O 3.47Å; L429-V490 PolarHBondContact O-N 3.01Å; F431-V490 HydrophobicContact CD1-CG2 4.02Å; F431-V490 HydrophobicContact CE1-CG2 3.43Å; F431-V490 VanDerWaalsContact CE1-CG2 3.43Å; F431-V490 HydrophobicContact CZ-CG2 4.35Å; V463-V490 HydrophobicContact CG1-CG1 4.21Å; V463-V490 HydrophobicContact CG1-CG2 3.91Å; V463-V490 HydrophobicContact CG2-CG2 4.29Å; V490-L501 HydrophobicContact CG1-CD1 3.55Å
491	H	95.6	Very high	94.3	Very high	55 Å²	55	50.2 Å²	50.2	26%	0.255	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	115.2	165.3	-60.7	-84.5	0	0	0	108.3	E428 I489 W493 Q502	E428-H491 IonicContact OE2-CE1 2.83Å; E428-H491 PolarHBondContact OE2-CE1 2.9Å; E428-H491 IonicContact OE2-ND1 3.48Å; E428-H491 PolarHBondContact OE2-ND1 2.86Å; I489-H491 VanDerWaalsContact CG2-NE2 3.29Å; I489-H491 WeakPolarHBondContact CG2-NE2 3.24Å; H491-W493 HydrophobicContact CB-CZ3 4.48Å; H491-Q502 HydrophobicContact CB-CB 4.32Å; H491-Q502 PolarHBondContact N-O 2.89Å; H491-Q502 PolarHBondContact O-N 2.9Å
492	F	96.2	Very high	94.3	Very high	3 Å²	3	46.9 Å²	46.9	1%	0.013	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	135.4	172.4	170.5	-103.4	0	0	0	109.7	T426 L427 L454 V465 F467 L476 R494 Y500	T426-F492 CarbonylContact C-O 3.55Å; T426-F492 WeakPolarHBondContact CA-O 3.36Å; L427-F492 HydrophobicContact CB-CB 4.37Å; L427-F492 HydrophobicContact CB-CD1 4.23Å; L427-F492 PolarHBondContact N-O 2.74Å; L427-F492 PolarHBondContact O-N 2.8Å; L454-F492 HydrophobicContact CD1-CD1 4.38Å; L454-F492 HydrophobicContact CD1-CE1 3.71Å; L454-F492 HydrophobicContact CD1-CZ 4.1Å; L454-F492 HydrophobicContact CD2-CE1 4.46Å; V465-F492 HydrophobicContact CB-CD2 4.23Å; V465-F492 HydrophobicContact CB-CE2 4.48Å; V465-F492 HydrophobicContact CG1-CD1 4.45Å; V465-F492 HydrophobicContact CG1-CD2 3.64Å; V465-F492 HydrophobicContact CG1-CE1 4.44Å; V465-F492 HydrophobicContact CG1-CE2 3.63Å; V465-F492 HydrophobicContact CG1-CG 4.06Å; V465-F492 HydrophobicContact CG1-CZ 4.04Å; V465-F492 HydrophobicContact CG2-CD2 4.29Å; F467-F492 HydrophobicContact CD1-CE2 4.16Å; F467-F492 AromaticContact CD1-CZ 3.86Å; F467-F492 HydrophobicContact CD1-CZ 3.86Å; F467-F492 HydrophobicContact CE1-CE2 4.12Å; F467-F492 HydrophobicContact CE1-CZ 4.07Å; L476-F492 HydrophobicContact CD1-CE2 4.39Å; F492-R494 HydrophobicContact CE1-CB 4.22Å; F492-R494 HydrophobicContact CZ-CB 3.93Å; F492-Y500 WeakPolarHBondContact CA-O 3.34Å; F492-Y500 WeakPolarHBondContact CD2-O 3.35Å
493	W	95.1	Very high	94.3	Very high	64 Å²	64	46.5 Å²	46.5	24%	0.242	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	151.9	166.7	67.2	99.5	0	0	0	111	T425 T426 H491 G499 Y500 Q502 I509	T425-W493 CarbonylContact O-C 3.54Å; T425-W493 WeakPolarHBondContact O-CA 3.45Å; T426-W493 HydrophobicContact CG2-CB 3.96Å; H491-W493 HydrophobicContact CB-CZ3 4.48Å; W493-G499 CarbonylContact O-C 3.44Å; W493-Y500 AromaticContact CD1-CD2 3.52Å; W493-Y500 HydrophobicContact CD2-CD2 4.44Å; W493-Y500 HydrophobicContact CD2-CG 4.26Å; W493-Y500 AromaticContact CE2-CD2 3.82Å; W493-Y500 AromaticContact CE2-CG 3.51Å; W493-Y500 HydrophobicContact CG-CD2 4.29Å; W493-Y500 HydrophobicContact CZ2-CD1 4.08Å; W493-Y500 HydrophobicContact CZ2-CD2 4.43Å; W493-Y500 AromaticContact CZ2-CG 3.7Å; W493-Y500 HydrophobicContact CZ2-CG 3.7Å; W493-Y500 PolarHBondContact N-O 2.92Å; W493-Y500 AromaticContact NE1-CD2 3.18Å; W493-Y500 AromaticContact NE1-CE2 3.9Å; W493-Y500 AromaticContact NE1-CG 3.36Å; W493-Y500 PolarHBondContact O-N 2.87Å; W493-Q502 HydrophobicContact CZ3-CB 4.24Å; W493-I509 HydrophobicContact CH2-CB 4.5Å; W493-I509 HydrophobicContact CH2-CD1 3.88Å; W493-I509 HydrophobicContact CH2-CG1 4.14Å; W493-I509 HydrophobicContact CH2-CG2 3.54Å; W493-I509 HydrophobicContact CZ2-CD1 4.29Å; W493-I509 HydrophobicContact CZ2-CG2 3.92Å; W493-I509 HydrophobicContact CZ3-CG2 4.48Å
494	R	92.6	Very high	94.1	Very high	1 Å²	1	43.1 Å²	43.1	0%	0.004	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	134.3	178.9	-174.4	-174.8	59.2	88	3.5	109.6	S421 S422 F424 T425 F467 F492 G496 D498 V519	S421-R494 PolarHBondContact O-NH2 3.13Å; S422-R494 PolarHBondContact O-NH1 2.77Å; S422-R494 PolarHBondContact O-NH2 2.04Å; F424-R494 WeakPolarHBondContact CA-O 3.01Å; F424-R494 VanDerWaalsContact CD2-O 3.26Å; F424-R494 WeakPolarHBondContact CD2-O 3.44Å; T425-R494 PolarHBondContact N-O 2.79Å; T425-R494 VanDerWaalsContact N-O 3.1Å; T425-R494 PolarHBondContact O-N 2.88Å; T425-R494 PolarHBondContact OG1-NH2 3.04Å; F467-R494 HydrophobicContact CE2-CG 4.28Å; F467-R494 HydrophobicContact CZ-CG 4.33Å; F492-R494 HydrophobicContact CE1-CB 4.22Å; F492-R494 HydrophobicContact CZ-CB 3.93Å; R494-G496 PolarHBondContact NH1-O 3.48Å; R494-D498 CarbonylContact C-O 3.38Å; R494-D498 VanDerWaalsContact CA-O 3.24Å; R494-D498 WeakPolarHBondContact CA-O 3.45Å; R494-D498 WeakPolarHBondContact CG-O 3.26Å; R494-V519 PolarHBondContact NH1-O 3.01Å
495	I	92.9	Very high	93.5	Very high	90 Å²	90	45.5 Å²	45.5	46%	0.462	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	109.8	172.6	-56.3	169.7	0	0	0	107.2	F424 R497 D498 Y500	F424-I495 HydrophobicContact CD2-CG1 3.89Å; F424-I495 HydrophobicContact CE2-CG1 3.95Å; I495-R497 PolarHBondContact O-N 3.22Å; I495-D498 PolarHBondContact N-O 2.78Å; I495-D498 PolarHBondContact O-N 3.04Å; I495-D498 VanDerWaalsContact O-N 3.09Å; I495-Y500 HydrophobicContact CD1-CE2 4.38Å
496	G	92.2	Very high	93.1	Very high	15 Å²	15	43.2 Å²	43.2	16%	0.155	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.4	-117.8	-173.3	0	0	0	0	0	111.4	S423 R494	S423-G496 PolarHBondContact O-N 2.95Å; R494-G496 PolarHBondContact NH1-O 3.48Å
497	R	94.1	Very high	92.6	Very high	88 Å²	88	46.8 Å²	46.8	33%	0.332	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-20.4	178.4	-65.4	180	-56.2	172	6.5	113.2	F467 L469 I495 Y513 S514 G516 Q518 V519	F467-R497 WeakPolarHBondContact CE2-O 3.47Å; F467-R497 WeakPolarHBondContact CZ-O 3.4Å; L469-R497 HydrophobicContact CD1-CB 4.48Å; L469-R497 HydrophobicContact CD1-CG 4.15Å; I495-R497 PolarHBondContact O-N 3.22Å; R497-Y513 CarbonylContact O-C 3.54Å; R497-Y513 WeakPolarHBondContact O-CA 3.4Å; R497-Y513 WeakPolarHBondContact O-CB 3.3Å; R497-S514 PolarHBondContact O-N 2.84Å; R497-G516 WeakPolarHBondContact CD-O 3.49Å; R497-G516 PolarHBondContact NH1-O 3.07Å; R497-Q518 VanDerWaalsContact CG-O 3.22Å; R497-Q518 WeakPolarHBondContact CG-O 3.29Å; R497-V519 HydrophobicContact CG-CG1 4.2Å
498	D	95.4	Very high	92.3	Very high	62 Å²	62	49.4 Å²	49.4	33%	0.332	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	124.1	-171.2	-60.1	-77.9	0	0	0	110.2	R494 I495 Y500	R494-D498 CarbonylContact C-O 3.38Å; R494-D498 VanDerWaalsContact CA-O 3.24Å; R494-D498 WeakPolarHBondContact CA-O 3.45Å; R494-D498 WeakPolarHBondContact CG-O 3.26Å; I495-D498 PolarHBondContact N-O 2.78Å; I495-D498 PolarHBondContact O-N 3.04Å; I495-D498 VanDerWaalsContact O-N 3.09Å; D498-Y500 HydrophobicContact CB-CE2 3.99Å
499	G	95.9	Very high	92.2	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	153.8	171.6	0	0	0	0	0	111.1	L476 W493 T511 N512	L476-G499 WeakPolarHBondContact CD2-O 3.39Å; W493-G499 CarbonylContact O-C 3.44Å; G499-T511 VanDerWaalsContact O-CA 3.32Å; G499-T511 WeakPolarHBondContact O-CA 3.29Å; G499-T511 PolarHBondContact O-OG1 2.88Å; G499-T511 VanDerWaalsContact O-OG1 3.04Å; G499-N512 PolarHBondContact N-O 2.94Å; G499-N512 PolarHBondContact O-N 2.85Å
500	Y	96.9	Very high	92.3	Very high	66 Å²	66	52 Å²	52	26%	0.259	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	133.6	178.7	-58.8	-90.4	0	0	0	109.5	F492 W493 I495 D498 I509 M510	F492-Y500 WeakPolarHBondContact CA-O 3.34Å; F492-Y500 WeakPolarHBondContact CD2-O 3.35Å; W493-Y500 AromaticContact CD1-CD2 3.52Å; W493-Y500 HydrophobicContact CD2-CD2 4.44Å; W493-Y500 HydrophobicContact CD2-CG 4.26Å; W493-Y500 AromaticContact CE2-CD2 3.82Å; W493-Y500 AromaticContact CE2-CG 3.51Å; W493-Y500 HydrophobicContact CG-CD2 4.29Å; W493-Y500 HydrophobicContact CZ2-CD1 4.08Å; W493-Y500 HydrophobicContact CZ2-CD2 4.43Å; W493-Y500 AromaticContact CZ2-CG 3.7Å; W493-Y500 HydrophobicContact CZ2-CG 3.7Å; W493-Y500 PolarHBondContact N-O 2.92Å; W493-Y500 AromaticContact NE1-CD2 3.18Å; W493-Y500 AromaticContact NE1-CE2 3.9Å; W493-Y500 AromaticContact NE1-CG 3.36Å; W493-Y500 PolarHBondContact O-N 2.87Å; I495-Y500 HydrophobicContact CD1-CE2 4.38Å; D498-Y500 HydrophobicContact CB-CE2 3.99Å; Y500-I509 HydrophobicContact CD1-CG2 4.08Å; Y500-M510 CarbonylContact C-O 3.59Å; Y500-M510 VanDerWaalsContact CA-O 3.28Å; Y500-M510 WeakPolarHBondContact CA-O 3.17Å
501	L	97.8	Very high	92.2	Very high	2 Å²	2	56 Å²	56	1%	0.01	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	124.3	-178.4	168.6	64.2	0	0	0	109.6	V463 V465 L476 V490 V503 M510	V463-L501 HydrophobicContact CG1-CD1 4.34Å; V465-L501 HydrophobicContact CG2-CD1 3.8Å; V465-L501 HydrophobicContact CG2-CD2 4.14Å; V465-L501 HydrophobicContact CG2-CG 4.43Å; L476-L501 HydrophobicContact CB-CB 3.91Å; L476-L501 HydrophobicContact CB-CD2 3.87Å; L476-L501 HydrophobicContact CD2-CB 3.93Å; V490-L501 HydrophobicContact CG1-CD1 3.55Å; L501-V503 HydrophobicContact CD1-CG2 3.92Å; L501-V503 HydrophobicContact CG-CG2 4.3Å; L501-M510 HydrophobicContact CB-CB 4.24Å; L501-M510 PolarHBondContact N-O 3.06Å; L501-M510 PolarHBondContact O-N 3.28Å
502	Q	94.3	Very high	92.2	Very high	51 Å²	51	56.3 Å²	56.3	24%	0.238	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	133.6	168.7	-175.9	176	35.7	0	0	108.9	H491 W493 D506 I509	H491-Q502 HydrophobicContact CB-CB 4.32Å; H491-Q502 PolarHBondContact N-O 2.89Å; H491-Q502 PolarHBondContact O-N 2.9Å; W493-Q502 HydrophobicContact CZ3-CB 4.24Å; Q502-D506 PolarHBondContact NE2-O 2.92Å; Q502-I509 HydrophobicContact CB-CG1 4.37Å
503	V	95.5	Very high	92.1	Very high	3 Å²	3	60.7 Å²	60.7	2%	0.018	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	131.6	176.1	-179	0	0	0	0	108.3	V463 N478 I482 I489 L501 S505 D506	V463-V503 HydrophobicContact CB-CG2 3.93Å; V463-V503 HydrophobicContact CG1-CG2 4.2Å; V463-V503 HydrophobicContact CG2-CG1 4.32Å; V463-V503 HydrophobicContact CG2-CG2 4.1Å; N478-V503 HydrophobicContact CB-CB 4.22Å; N478-V503 HydrophobicContact CB-CG2 3.71Å; I482-V503 HydrophobicContact CG2-CG1 4.25Å; I489-V503 CarbonylContact O-C 3.55Å; I489-V503 WeakPolarHBondContact O-CA 3.28Å; L501-V503 HydrophobicContact CD1-CG2 3.92Å; L501-V503 HydrophobicContact CG-CG2 4.3Å; V503-S505 PolarHBondContact O-N 2.81Å; V503-D506 WeakPolarHBondContact O-CB 3.26Å; V503-D506 PolarHBondContact O-N 2.95Å
504	D	91.3	Very high	92	Very high	54 Å²	54	57.7 Å²	57.7	29%	0.289	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.4	-130.8	-174.7	-58	-30.6	0	0	0	112.5	H488 I489	H488-D504 WeakPolarHBondContact CA-OD1 3.28Å; H488-D504 WeakPolarHBondContact CB-OD1 3.36Å; H488-D504 IonicContact CE1-OD2 3.93Å; H488-D504 IonicContact CG-OD1 2.8Å; H488-D504 IonicContact CG-OD2 3.38Å; H488-D504 IonicContact ND1-OD1 3.49Å; H488-D504 PolarHBondContact ND1-OD1 2.8Å; H488-D504 IonicContact ND1-OD2 2.63Å; H488-D504 PolarHBondContact ND1-OD2 2.72Å; I489-D504 PolarHBondContact N-OD1 2.71Å; I489-D504 PolarHBondContact O-N 3.18Å
505	S	81.7	Confident	91.7	Very high	116 Å²	116	63.2 Å²	63.2	81%	0.811	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.6	28.3	175.3	-53	0	0	0	0	111.3	V503 E507	V503-S505 PolarHBondContact O-N 2.81Å; S505-E507 PolarHBondContact O-N 3.08Å
506	D	82.6	Confident	91.4	Very high	34 Å²	34	60.4 Å²	60.4	18%	0.182	31%	0.311	C	S	.	.			trans	-63.4	129.3	173.9	-82.5	-33.1	0	0	0	109.5	K480 Q502 V503 H508	K480-D506 IonicContact NZ-OD1 2.56Å; K480-D506 PolarHBondContact NZ-OD1 3.45Å; Q502-D506 PolarHBondContact NE2-O 2.92Å; V503-D506 WeakPolarHBondContact O-CB 3.26Å; V503-D506 PolarHBondContact O-N 2.95Å; D506-H508 PolarHBondContact O-N 2.85Å
507	E	78.9	Confident	91.1	Very high	171 Å²	171	67.3 Å²	67.3	80%	0.799	34%	0.344	S	S	*	.	S	Bend	trans	-69.6	-25.6	-179.7	-64.1	-172.8	161.9	0	0	112.1	S505	S505-E507 PolarHBondContact O-N 3.08Å
508	H	85.2	Confident	90.7	Very high	101 Å²	101	67.5 Å²	67.5	47%	0.468	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-83.8	121	-179.9	-156.7	79.9	0	0	0	110.5	E479 D506 M510	E479-H508 IonicContact OE1-CD2 3.09Å; E479-H508 PolarHBondContact OE1-CD2 2.83Å; E479-H508 VanDerWaalsContact OE1-CD2 3.24Å; E479-H508 IonicContact OE1-CG 2.72Å; E479-H508 IonicContact OE1-NE2 3.54Å; E479-H508 IonicContact OE2-CG 3.49Å; D506-H508 PolarHBondContact O-N 2.85Å; H508-M510 VanDerWaalsContact CD2-SD 3.52Å
509	I	91.6	Very high	90.3	Very high	69 Å²	69	67.9 Å²	67.9	35%	0.354	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-98.2	118.3	175.2	-62.7	164.1	0	0	0	107.5	W493 Y500 Q502	W493-I509 HydrophobicContact CH2-CB 4.5Å; W493-I509 HydrophobicContact CH2-CD1 3.88Å; W493-I509 HydrophobicContact CH2-CG1 4.14Å; W493-I509 HydrophobicContact CH2-CG2 3.54Å; W493-I509 HydrophobicContact CZ2-CD1 4.29Å; W493-I509 HydrophobicContact CZ2-CG2 3.92Å; W493-I509 HydrophobicContact CZ3-CG2 4.48Å; Y500-I509 HydrophobicContact CD1-CG2 4.08Å; Q502-I509 HydrophobicContact CB-CG1 4.37Å
510	M	95.4	Very high	89.9	Confident	48 Å²	48	72.6 Å²	72.6	24%	0.236	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	140	175.6	-57.8	-59.2	-55.1	0	0	109.2	L476 K477 E479 Y500 L501 H508	L476-M510 WeakPolarHBondContact CD2-O 3.49Å; K477-M510 WeakPolarHBondContact O-CE 3.44Å; K477-M510 VanDerWaalsContact O-CG 3.24Å; K477-M510 WeakPolarHBondContact O-CG 3.28Å; E479-M510 HydrophobicContact CG-CE 4.47Å; E479-M510 HydrophobicContact CG-SD 3.48Å; E479-M510 WeakPolarHBondContact CG-SD 3.36Å; Y500-M510 CarbonylContact C-O 3.59Å; Y500-M510 VanDerWaalsContact CA-O 3.28Å; Y500-M510 WeakPolarHBondContact CA-O 3.17Å; L501-M510 HydrophobicContact CB-CB 4.24Å; L501-M510 PolarHBondContact N-O 3.06Å; L501-M510 PolarHBondContact O-N 3.28Å; H508-M510 VanDerWaalsContact CD2-SD 3.52Å
511	T	96.2	Very high	89.4	Confident	83 Å²	83	69.8 Å²	69.8	51%	0.509	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	142.1	177.5	-175	0	0	0	0	111.2	G499	G499-T511 VanDerWaalsContact O-CA 3.32Å; G499-T511 WeakPolarHBondContact O-CA 3.29Å; G499-T511 PolarHBondContact O-OG1 2.88Å; G499-T511 VanDerWaalsContact O-OG1 3.04Å
512	N	95.3	Very high	88.9	Confident	61 Å²	61	71.7 Å²	71.7	33%	0.326	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	167	172.4	-155.3	-5.8	0	0	0	108.6	F475 L476 G499	F475-N512 PolarHBondContact O-ND2 2.96Å; L476-N512 HydrophobicContact CD1-CB 4.37Å; L476-N512 HydrophobicContact CD2-CB 4.45Å; L476-N512 HydrophobicContact CG-CB 3.95Å; G499-N512 PolarHBondContact N-O 2.94Å; G499-N512 PolarHBondContact O-N 2.85Å
513	Y	92.8	Very high	88.5	Confident	96 Å²	96	69.6 Å²	69.6	38%	0.376	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	153.8	-176.1	64.9	-89.9	0	0	0	113.1	A474 R497 F515	A474-Y513 VanDerWaalsContact CB-C 3.45Å; A474-Y513 WeakPolarHBondContact CB-O 3.42Å; R497-Y513 CarbonylContact O-C 3.54Å; R497-Y513 WeakPolarHBondContact O-CA 3.4Å; R497-Y513 WeakPolarHBondContact O-CB 3.3Å; Y513-F515 AromaticContact CE2-CD1 3.96Å; Y513-F515 HydrophobicContact CE2-CD1 3.96Å; Y513-F515 AromaticContact CE2-CE1 3.94Å; Y513-F515 HydrophobicContact CE2-CE1 3.94Å
514	S	92.7	Very high	87.8	Confident	0 Å²	0	73 Å²	73	0%	0	39%	0.387	C	S	.	.			trans	-78.9	133.7	174.2	170.4	0	0	0	0	110.1	L469 G472 R497	L469-S514 PolarHBondContact N-OG 3.33Å; G472-S514 WeakPolarHBondContact O-CB 3.45Å; G472-S514 PolarHBondContact O-OG 3.31Å; R497-S514 PolarHBondContact O-N 2.84Å
515	F	86.3	Confident	87.4	Confident	117 Å²	117	75 Å²	75	51%	0.513	39%	0.391	S	S	.	.	S	Bend	trans	-72.4	157	-178.6	-71.3	-78	0	0	0	111.8	S471 G472 Y513	S471-F515 CarbonylContact C-O 3.48Å; S471-F515 VanDerWaalsContact CB-O 3.23Å; S471-F515 WeakPolarHBondContact CB-O 3.34Å; G472-F515 PolarHBondContact O-N 2.82Å; Y513-F515 AromaticContact CE2-CD1 3.96Å; Y513-F515 HydrophobicContact CE2-CD1 3.96Å; Y513-F515 AromaticContact CE2-CE1 3.94Å; Y513-F515 HydrophobicContact CE2-CE1 3.94Å
516	G	86.9	Confident	87.9	Confident	32 Å²	32	70.7 Å²	70.7	33%	0.33	36%	0.361	S	S	.	.	S	Bend	trans	93.3	-171.1	-177.2	0	0	0	0	0	113.7	R497	R497-G516 WeakPolarHBondContact CD-O 3.49Å; R497-G516 PolarHBondContact NH1-O 3.07Å
517	L	85.6	Confident	88.4	Confident	160 Å²	160	69.1 Å²	69.1	84%	0.838	35%	0.353	S	S	*	.	S	Bend	trans	-101.4	-8.2	-173.2	-63	177.6	0	0	0	113.9
518	Q	86.9	Confident	89.2	Confident	91 Å²	91	62 Å²	62	43%	0.425	32%	0.319	S	S	.	.			trans	-74.3	138.7	-177.3	-58.6	-163.9	35.1	0	0	110.6	L469 R497	L469-Q518 HydrophobicContact CB-CB 4.2Å; L469-Q518 WeakPolarHBondContact CD1-O 3.45Å; L469-Q518 WeakPolarHBondContact O-CB 3.44Å; L469-Q518 PolarHBondContact O-OE1 3Å; R497-Q518 VanDerWaalsContact CG-O 3.22Å; R497-Q518 WeakPolarHBondContact CG-O 3.29Å
519	V	87.2	Confident	89.8	Confident	70 Å²	70	57.1 Å²	57.1	42%	0.424	30%	0.296	S	S	.	.			trans	-117.8	-12.8	177.6	-65.5	0	0	0	0	112.5	R494 R497	R494-V519 PolarHBondContact NH1-O 3.01Å; R497-V519 HydrophobicContact CG-CG1 4.2Å
520	Q	86.2	Confident	90	Very high	100 Å²	100	53.9 Å²	53.9	47%	0.467	28%	0.28	S	S	.	.			trans	-86.7	129.3	-177.3	-178.6	168.8	-15.8	0	0	109.5	S422	S422-Q520 VanDerWaalsContact O-CA 3.32Å; S422-Q520 WeakPolarHBondContact O-CA 3.17Å
521	L	87.2	Confident	89.9	Confident	6 Å²	6	51.7 Å²	51.7	3%	0.031	27%	0.27	C	S	.	.			trans	-96.6	106.6	167.5	173	59	0	0	0	107.8	S421 S422 D452 L454 L469 L523	S421-L521 WeakPolarHBondContact O-CB 3.28Å; S422-L521 PolarHBondContact O-N 2.85Å; S422-L521 VanDerWaalsContact O-N 3.15Å; D452-L521 HydrophobicContact CB-CD1 3.87Å; L454-L521 HydrophobicContact CB-CD2 4.45Å; L469-L521 HydrophobicContact CD2-CB 3.64Å; L469-L521 HydrophobicContact CD2-CD1 4.11Å; L469-L521 HydrophobicContact CD2-CG 4.4Å; L521-L523 HydrophobicContact CD1-CD1 4.07Å; L521-L523 HydrophobicContact CD1-CD2 3.8Å; L521-L523 HydrophobicContact CD1-CG 3.87Å; L521-L523 HydrophobicContact CD2-CD1 3.9Å; L521-L523 HydrophobicContact CG-CD1 3.76Å; L521-L523 HydrophobicContact CG-CD2 4.34Å; L521-L523 HydrophobicContact CG-CG 3.85Å
522	T	86.6	Confident	89.7	Confident	43 Å²	43	48.7 Å²	48.7	26%	0.264	25%	0.25	S	C	.	.			trans	-97	104.6	-178.8	-48.6	0	0	0	0	109.4	Y445 D452	Y445-T522 WeakPolarHBondContact CB-O 3.24Å; Y445-T522 HydrophobicContact CD2-CG2 3.7Å; Y445-T522 WeakPolarHBondContact CD2-O 3.23Å; Y445-T522 HydrophobicContact CE2-CG2 3.63Å; D452-T522 WeakPolarHBondContact CB-O 3.43Å; D452-T522 WeakPolarHBondContact OD2-CA 3.23Å; D452-T522 WeakPolarHBondContact OD2-CB 3.26Å; D452-T522 PolarHBondContact OD2-N 2.76Å; D452-T522 PolarHBondContact OD2-OG1 2.88Å
523	L	87.3	Confident	89.5	Confident	7 Å²	7	47.9 Å²	47.9	4%	0.037	25%	0.248	C	C	.	.			trans	-116.5	135.6	177.3	-57.8	169.1	0	0	0	108.5	L417 S418 E443 L521	L417-L523 HydrophobicContact CB-CD1 4.09Å; L417-L523 HydrophobicContact CD1-CD1 4.33Å; S418-L523 VanDerWaalsContact CA-O 3.23Å; S418-L523 WeakPolarHBondContact CA-O 3.32Å; S418-L523 WeakPolarHBondContact CB-O 3.39Å; E443-L523 HydrophobicContact CB-CD1 4.28Å; E443-L523 HydrophobicContact CB-CD2 4.46Å; E443-L523 HydrophobicContact CG-CB 4.02Å; E443-L523 HydrophobicContact CG-CD1 4.04Å; E443-L523 HydrophobicContact CG-CD2 4.23Å; E443-L523 HydrophobicContact CG-CG 4.31Å; E443-L523 WeakPolarHBondContact OE1-CB 3.42Å; L521-L523 HydrophobicContact CD1-CD1 4.07Å; L521-L523 HydrophobicContact CD1-CD2 3.8Å; L521-L523 HydrophobicContact CD1-CG 3.87Å; L521-L523 HydrophobicContact CD2-CD1 3.9Å; L521-L523 HydrophobicContact CG-CD1 3.76Å; L521-L523 HydrophobicContact CG-CD2 4.34Å; L521-L523 HydrophobicContact CG-CG 3.85Å
524	T	80.2	Confident	89.2	Confident	73 Å²	73	45.8 Å²	45.8	45%	0.448	24%	0.243	S	C	.	.			trans	-126.6	-21.3	-172.1	50.4	0	0	0	0	112.7	Y445	Y445-T524 HydrophobicContact CD2-CG2 3.86Å; Y445-T524 HydrophobicContact CE2-CG2 3.8Å; Y445-T524 PolarHBondContact O-OG1 2.8Å
525	Y	83	Confident	88.7	Confident	97 Å²	97	47.1 Å²	47.1	38%	0.38	25%	0.252	S	S	.	.	S	Bend	trans	-101	171.7	-177.5	-70.1	-83.8	0	0	0	112.2	Y445 H447	Y445-Y525 WeakPolarHBondContact O-CD2 3.42Å; Y445-Y525 WeakPolarHBondContact O-CE2 3.07Å; H447-Y525 AromaticContact CD2-CE1 3.57Å; H447-Y525 AromaticContact CD2-CZ 3.83Å; H447-Y525 AromaticContact CE1-CD1 3.35Å; H447-Y525 WeakPolarHBondContact CE1-CD1 3.44Å; H447-Y525 AromaticContact CE1-CE1 3.49Å; H447-Y525 VanDerWaalsContact CE1-CE1 3.49Å; H447-Y525 WeakPolarHBondContact CE1-CE1 3.05Å; H447-Y525 AromaticContact CE1-CG 3.83Å; H447-Y525 AromaticContact NE2-CD1 3.37Å; H447-Y525 WeakPolarHBondContact NE2-CD1 3.05Å; H447-Y525 AromaticContact NE2-CE1 3.08Å; H447-Y525 WeakPolarHBondContact NE2-CE1 3.19Å; H447-Y525 AromaticContact NE2-CZ 3.8Å
526	S	91.9	Very high	88.4	Confident	26 Å²	26	42.7 Å²	42.7	18%	0.182	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-60.2	147.3	177.6	-54.4	0	0	0	0	112.1	E413 Y414 Y528	E413-S526 VanDerWaalsContact CG-CB 3.42Å; E413-S526 WeakPolarHBondContact OE1-CB 3.19Å; E413-S526 PolarHBondContact OE1-OG 2.61Å; Y414-S526 WeakPolarHBondContact O-CA 3.17Å; Y414-S526 WeakPolarHBondContact O-CB 3.49Å; S526-Y528 WeakPolarHBondContact O-CD2 3.32Å
527	L	94	Very high	88.4	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	124.4	168.8	179.3	156.7	0	0	0	108.4	Y414 L417 L441 E443 T565	Y414-L527 HydrophobicContact CD2-CD2 3.78Å; Y414-L527 HydrophobicContact CG-CD2 4.48Å; Y414-L527 PolarHBondContact N-O 3.46Å; Y414-L527 PolarHBondContact O-N 2.99Å; L417-L527 HydrophobicContact CG-CD1 4.37Å; L441-L527 HydrophobicContact CD1-CD1 4.1Å; L441-L527 HydrophobicContact CD1-CD2 3.98Å; L441-L527 HydrophobicContact CD1-CG 4.25Å; L441-L527 HydrophobicContact CD2-CD1 4.47Å; L441-L527 HydrophobicContact CG-CD1 4.46Å; L441-L527 HydrophobicContact CG-CD2 4.22Å; L441-L527 HydrophobicContact CG-CG 4.25Å; E443-L527 HydrophobicContact CB-CB 4.45Å; E443-L527 HydrophobicContact CG-CB 4.43Å; L527-T565 HydrophobicContact CD1-CG2 4.45Å
528	Y	95.7	Very high	88.5	Confident	21 Å²	21	36.6 Å²	36.6	8%	0.082	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	140.5	176.2	-63.7	-75.1	0	0	0	111.1	Y411 T412 E413 L441 Y442 S526 G531 H532 P533	Y411-Y528 HydrophobicContact CD2-CD1 4.08Å; Y411-Y528 HydrophobicContact CD2-CE1 4.41Å; T412-Y528 WeakPolarHBondContact O-CA 3.37Å; E413-Y528 HydrophobicContact CB-CD1 4.06Å; E413-Y528 HydrophobicContact CB-CE1 3.86Å; E413-Y528 HydrophobicContact CG-CD1 4.07Å; E413-Y528 HydrophobicContact CG-CE1 3.54Å; L441-Y528 CarbonylContact C-O 3.54Å; L441-Y528 WeakPolarHBondContact CA-O 3.47Å; Y442-Y528 PolarHBondContact N-O 3.1Å; Y442-Y528 PolarHBondContact O-N 3.09Å; S526-Y528 WeakPolarHBondContact O-CD2 3.32Å; Y528-G531 WeakPolarHBondContact CB-O 3.36Å; Y528-H532 AromaticContact CD2-CD2 3.29Å; Y528-H532 WeakPolarHBondContact CD2-CD2 3.35Å; Y528-H532 AromaticContact CD2-NE2 3.39Å; Y528-H532 WeakPolarHBondContact CD2-NE2 3.44Å; Y528-H532 AromaticContact CE2-CD2 3.76Å; Y528-H532 AromaticContact CE2-NE2 3.34Å; Y528-H532 VanDerWaalsContact CE2-NE2 3.34Å; Y528-H532 WeakPolarHBondContact CE2-NE2 3.28Å; Y528-H532 AromaticContact CG-CD2 3.88Å; Y528-P533 HydrophobicContact CD1-CG 4.17Å; Y528-P533 VanDerWaalsContact CE1-CD 3.48Å; Y528-P533 HydrophobicContact CE1-CG 3.59Å; Y528-P533 HydrophobicContact CE2-CG 4.28Å
529	L	96.9	Very high	88.6	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	137.7	179.3	-170.4	81.8	0	0	0	110.8	Y406 Y411 T412 Y414 L429 I440 L441 G531 I560 I563	Y406-L529 WeakPolarHBondContact CE1-O 3.39Å; Y406-L529 HydrophobicContact CE2-CD2 4.25Å; Y406-L529 WeakPolarHBondContact OH-CD2 3.47Å; Y411-L529 CarbonylContact C-O 3.56Å; Y411-L529 WeakPolarHBondContact CA-O 3.26Å; T412-L529 PolarHBondContact N-O 2.87Å; T412-L529 PolarHBondContact O-N 3.1Å; Y414-L529 HydrophobicContact CE2-CB 3.83Å; Y414-L529 HydrophobicContact CE2-CD2 4.18Å; L429-L529 HydrophobicContact CD1-CD1 4.22Å; I440-L529 HydrophobicContact CG2-CD1 4.38Å; I440-L529 CarbonylContact O-C 3.59Å; I440-L529 WeakPolarHBondContact O-CA 3.37Å; I440-L529 VanDerWaalsContact O-CD1 3.29Å; I440-L529 WeakPolarHBondContact O-CD1 3.31Å; L441-L529 HydrophobicContact CB-CD1 4.28Å; L441-L529 HydrophobicContact CD1-CD1 4.12Å; L529-G531 PolarHBondContact O-N 2.8Å; L529-I560 HydrophobicContact CD1-CD1 3.81Å; L529-I560 HydrophobicContact CD2-CB 4.38Å; L529-I560 HydrophobicContact CD2-CD1 3.65Å; L529-I560 HydrophobicContact CD2-CG2 4.1Å; L529-I560 HydrophobicContact CG-CD1 3.55Å; L529-I563 HydrophobicContact CD1-CD1 3.37Å; L529-I563 HydrophobicContact CD1-CG1 4.29Å; L529-I563 HydrophobicContact CD2-CD1 3.16Å; L529-I563 HydrophobicContact CD2-CG1 4.49Å; L529-I563 HydrophobicContact CG-CD1 3.83Å
530	G	95.9	Very high	88.4	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.166	C	C	.	.	S	Bend	trans	75.6	-7	178.4	0	0	0	0	0	115.8	Y406 S410 L439 I440 G555 F556	Y406-G530 VanDerWaalsContact CD1-CA 3.47Å; S410-G530 CarbonylContact O-C 3.52Å; L439-G530 CarbonylContact O-C 3.57Å; I440-G530 PolarHBondContact O-N 2.99Å; G530-G555 CarbonylContact O-C 3.5Å; G530-G555 WeakPolarHBondContact O-CA 3.42Å; G530-F556 PolarHBondContact O-N 2.86Å
531	G	93.8	Very high	88.3	Confident	3 Å²	3	31.1 Å²	31.1	3%	0.031	17%	0.165	C	C	.	.	S	Bend	trans	174	-163.8	179.4	0	0	0	0	0	110.3	Y528 L529	Y528-G531 WeakPolarHBondContact CB-O 3.36Å; L529-G531 PolarHBondContact O-N 2.8Å
532	H	92.2	Very high	88.3	Confident	19 Å²	19	30.8 Å²	30.8	9%	0.088	16%	0.163	C	C	.	.			trans	-140.8	140.1	174.2	-166.7	-85.6	0	0	0	109.4	L439 Y442 Y528 N534 I538	L439-H532 HydrophobicContact CD2-CB 4.42Å; Y442-H532 AromaticContact CD1-CD2 3.6Å; Y528-H532 AromaticContact CD2-CD2 3.29Å; Y528-H532 WeakPolarHBondContact CD2-CD2 3.35Å; Y528-H532 AromaticContact CD2-NE2 3.39Å; Y528-H532 WeakPolarHBondContact CD2-NE2 3.44Å; Y528-H532 AromaticContact CE2-CD2 3.76Å; Y528-H532 AromaticContact CE2-NE2 3.34Å; Y528-H532 VanDerWaalsContact CE2-NE2 3.34Å; Y528-H532 WeakPolarHBondContact CE2-NE2 3.28Å; Y528-H532 AromaticContact CG-CD2 3.88Å; H532-N534 PolarHBondContact CE1-O 2.86Å; H532-N534 VanDerWaalsContact ND1-C 3.3Å; H532-N534 PolarHBondContact ND1-N 2.81Å; H532-N534 VanDerWaalsContact ND1-N 3.12Å; H532-N534 PolarHBondContact ND1-O 3.04Å; H532-N534 PolarHBondContact O-N 3.3Å; H532-I538 HydrophobicContact CB-CD1 3.78Å; H532-I538 HydrophobicContact CB-CG1 4.05Å
533	P	89.6	Confident	87.9	Confident	45 Å²	45	30.8 Å²	30.8	29%	0.292	16%	0.16	S	C	.	.	S	Bend	trans	-58	-31.3	179.7	19.6	-33	0	0	0	113.8	Y411 Y528	Y411-P533 HydrophobicContact CD1-CB 4.43Å; Y411-P533 HydrophobicContact CE1-CB 3.8Å; Y411-P533 HydrophobicContact CE2-CB 4.03Å; Y411-P533 HydrophobicContact CE2-CG 4.38Å; Y528-P533 HydrophobicContact CD1-CG 4.17Å; Y528-P533 VanDerWaalsContact CE1-CD 3.48Å; Y528-P533 HydrophobicContact CE1-CG 3.59Å; Y528-P533 HydrophobicContact CE2-CG 4.28Å
534	N	86.8	Confident	87.2	Confident	52 Å²	52	34.9 Å²	34.9	28%	0.278	19%	0.187	S	C	.	.			trans	-138.8	105	179.6	-173.8	-12.8	0	0	0	110.5	H532 N536 F537	H532-N534 PolarHBondContact CE1-O 2.86Å; H532-N534 VanDerWaalsContact ND1-C 3.3Å; H532-N534 PolarHBondContact ND1-N 2.81Å; H532-N534 VanDerWaalsContact ND1-N 3.12Å; H532-N534 PolarHBondContact ND1-O 3.04Å; H532-N534 PolarHBondContact O-N 3.3Å; N534-N536 PolarHBondContact O-N 3.06Å; N534-N536 WeakPolarHBondContact OD1-CB 3.49Å; N534-N536 PolarHBondContact OD1-N 2.84Å; N534-N536 PolarHBondContact OD1-ND2 2.84Å; N534-F537 HydrophobicContact CB-CD2 3.86Å; N534-F537 HydrophobicContact CB-CE2 4.06Å; N534-F537 HydrophobicContact CB-CG 4.34Å; N534-F537 WeakPolarHBondContact ND2-CZ 3.01Å; N534-F537 PolarHBondContact O-N 2.81Å
535	S	82.1	Confident	87.2	Confident	27 Å²	27	34.2 Å²	34.2	19%	0.189	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-57.1	-18.9	179.6	58.2	0	0	0	0	113.6	F537 I538	S535-F537 PolarHBondContact O-N 2.84Å; S535-I538 PolarHBondContact O-N 2.81Å
536	N	81.4	Confident	86.9	Confident	25 Å²	25	30.7 Å²	30.7	13%	0.134	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-71.8	-15.5	178.7	-53	-41.5	0	0	0	113.4	R341 L346 R449 N534	R341-N536 VanDerWaalsContact NH1-CG 3.32Å; R341-N536 PolarHBondContact NH1-ND2 2.71Å; R341-N536 PolarHBondContact NH1-OD1 3.12Å; R341-N536 VanDerWaalsContact NH1-OD1 3.09Å; R341-N536 PolarHBondContact NH2-OD1 3.03Å; L346-N536 HydrophobicContact CD1-CB 3.94Å; L346-N536 WeakPolarHBondContact CD1-OD1 3.08Å; L346-N536 HydrophobicContact CD2-CB 4.32Å; R449-N536 WeakPolarHBondContact CD-O 3.45Å; R449-N536 WeakPolarHBondContact CG-O 3.21Å; R449-N536 PolarHBondContact NH1-O 3.2Å; N534-N536 PolarHBondContact O-N 3.06Å; N534-N536 WeakPolarHBondContact OD1-CB 3.49Å; N534-N536 PolarHBondContact OD1-N 2.84Å; N534-N536 PolarHBondContact OD1-ND2 2.84Å
537	F	86	Confident	85.7	Confident	64 Å²	64	30.6 Å²	30.6	28%	0.281	17%	0.169	S	C	.	.	G	3₁₀ helix	trans	-95.4	0.2	178.7	-60.2	-23.4	0	0	0	113.4	Y442 H447 N534 S535	Y442-F537 PolarHBondContact OH-O 2.83Å; H447-F537 HydrophobicContact CB-CB 4.37Å; H447-F537 HydrophobicContact CB-CD1 3.65Å; H447-F537 HydrophobicContact CB-CD2 4.12Å; H447-F537 HydrophobicContact CB-CE1 3.84Å; H447-F537 HydrophobicContact CB-CE2 4.3Å; H447-F537 HydrophobicContact CB-CG 3.8Å; H447-F537 HydrophobicContact CB-CZ 4.17Å; H447-F537 AromaticContact CE1-CD2 3.87Å; H447-F537 AromaticContact CG-CD2 3.71Å; H447-F537 AromaticContact CG-CE2 3.93Å; H447-F537 AromaticContact CG-CG 3.85Å; H447-F537 AromaticContact ND1-CD2 3.48Å; H447-F537 WeakPolarHBondContact ND1-CD2 3.49Å; H447-F537 AromaticContact ND1-CG 3.68Å; H447-F537 WeakPolarHBondContact O-CD1 3.23Å; N534-F537 HydrophobicContact CB-CD2 3.86Å; N534-F537 HydrophobicContact CB-CE2 4.06Å; N534-F537 HydrophobicContact CB-CG 4.34Å; N534-F537 WeakPolarHBondContact ND2-CZ 3.01Å; N534-F537 PolarHBondContact O-N 2.81Å; S535-F537 PolarHBondContact O-N 2.84Å
538	I	88.7	Confident	84	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.181	C	C	.	.	S	Bend	trans	-80.4	137.2	176.7	-64.2	167.6	0	0	0	110.6	L439 Y442 R449 H532 S535 T540 I542 I546 I554	L439-I538 HydrophobicContact CD2-CD1 3.72Å; L439-I538 HydrophobicContact CD2-CG1 4.49Å; Y442-I538 HydrophobicContact CD1-CG1 4.43Å; Y442-I538 HydrophobicContact CD2-CG2 4.33Å; Y442-I538 HydrophobicContact CE1-CG1 4.36Å; Y442-I538 HydrophobicContact CE2-CG2 3.99Å; R449-I538 VanDerWaalsContact CD-O 3.3Å; R449-I538 WeakPolarHBondContact CD-O 2.89Å; R449-I538 WeakPolarHBondContact CG-O 3.48Å; H532-I538 HydrophobicContact CB-CD1 3.78Å; H532-I538 HydrophobicContact CB-CG1 4.05Å; S535-I538 PolarHBondContact O-N 2.81Å; I538-T540 PolarHBondContact O-N 2.74Å; I538-I542 HydrophobicContact CG2-CD1 3.48Å; I538-I542 VanDerWaalsContact CG2-CD1 3.48Å; I538-I542 HydrophobicContact CG2-CG1 3.44Å; I538-I542 VanDerWaalsContact CG2-CG1 3.44Å; I538-I546 HydrophobicContact CD1-CD1 3.87Å; I538-I546 HydrophobicContact CG2-CD1 3.9Å; I538-I554 HydrophobicContact CD1-CD1 3.26Å
539	S	88.8	Confident	81.8	Confident	2 Å²	2	33.6 Å²	33.6	1%	0.014	18%	0.183	C	C	.	.			trans	-44.4	133.3	175.2	175.9	0	0	0	0	113.1	Y442 F453 H541 I542	Y442-S539 PolarHBondContact OH-N 3.28Å; F453-S539 WeakPolarHBondContact CD1-OG 2.94Å; F453-S539 WeakPolarHBondContact CE1-OG 3.16Å; S539-H541 PolarHBondContact O-N 2.97Å; S539-H541 VanDerWaalsContact O-N 3.17Å; S539-H541 PolarHBondContact OG-N 3.27Å; S539-I542 PolarHBondContact O-N 2.88Å
540	T	81.8	Confident	79.7	Confident	47 Å²	47	34.3 Å²	34.3	29%	0.288	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-23.9	176.1	50.2	0	0	0	0	112.7	F345 R449 I538 I542	F345-T540 HydrophobicContact CB-CG2 4.08Å; R449-T540 HydrophobicContact CB-CG2 4.15Å; I538-T540 PolarHBondContact O-N 2.74Å; T540-I542 VanDerWaalsContact C-N 3.29Å; T540-I542 PolarHBondContact O-N 3.23Å
541	H	84.9	Confident	77.7	Confident	96 Å²	96	38.4 Å²	38.4	44%	0.444	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-21.6	-178.6	-67.7	-94	0	0	0	113.7	F453 S473 F475 S539	F453-H541 HydrophobicContact CE1-CB 4.18Å; F453-H541 HydrophobicContact CZ-CB 4.16Å; S473-H541 WeakPolarHBondContact OG-CB 3.18Å; S473-H541 VanDerWaalsContact OG-CG 3.26Å; S473-H541 PolarHBondContact OG-ND1 2.75Å; F475-H541 HydrophobicContact CZ-CB 4.45Å; S539-H541 PolarHBondContact O-N 2.97Å; S539-H541 VanDerWaalsContact O-N 3.17Å; S539-H541 PolarHBondContact OG-N 3.27Å
542	I	87.1	Confident	75.9	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106	-9.6	179.1	71.1	173.8	0	0	0	114.2	L439 Y442 F453 A455 M457 A466 F475 I538 S539 T540 P544 F545 I546	L439-I542 HydrophobicContact CD1-CD1 4.26Å; Y442-I542 HydrophobicContact CD2-CD1 3.93Å; Y442-I542 HydrophobicContact CE2-CD1 4.01Å; F453-I542 HydrophobicContact CE2-CG2 3.55Å; F453-I542 HydrophobicContact CZ-CG2 3.74Å; A455-I542 HydrophobicContact CB-CD1 3.71Å; M457-I542 HydrophobicContact CE-CG2 4.47Å; M457-I542 HydrophobicContact SD-CB 4.31Å; A466-I542 HydrophobicContact CB-CG2 3.78Å; F475-I542 HydrophobicContact CE1-CG2 4.22Å; I538-I542 HydrophobicContact CG2-CD1 3.48Å; I538-I542 VanDerWaalsContact CG2-CD1 3.48Å; I538-I542 HydrophobicContact CG2-CG1 3.44Å; I538-I542 VanDerWaalsContact CG2-CG1 3.44Å; S539-I542 PolarHBondContact O-N 2.88Å; T540-I542 VanDerWaalsContact C-N 3.29Å; T540-I542 PolarHBondContact O-N 3.23Å; I542-P544 VanDerWaalsContact C-CD 3.4Å; I542-P544 VanDerWaalsContact C-N 3.34Å; I542-F545 WeakPolarHBondContact O-CB 3.17Å; I542-F545 PolarHBondContact O-N 2.81Å; I542-I546 HydrophobicContact CG1-CD1 4.39Å; I542-I546 PolarHBondContact O-N 2.83Å
543	K	77.5	Confident	75.1	Confident	42 Å²	42	40.6 Å²	40.6	18%	0.183	22%	0.224	C	C	.	.	H	α-helix	trans	-50.8	-42	177.4	-75.4	-172.4	176.7	-176.6	0	114.1	F545 I546 G547	K543-F545 PolarHBondContact O-N 2.85Å; K543-F545 VanDerWaalsContact O-N 3.1Å; K543-I546 PolarHBondContact O-N 2.96Å; K543-G547 PolarHBondContact O-N 2.92Å
544	P	73.8	Confident	74.8	Confident	93 Å²	93	39 Å²	39	60%	0.604	21%	0.213	S	C	*	.	H	α-helix	trans	-60.7	-21.6	178.3	-24.9	35.8	0	0	0	114.5	I542	I542-P544 VanDerWaalsContact C-CD 3.4Å; I542-P544 VanDerWaalsContact C-N 3.34Å
545	F	80	Confident	75	Confident	60 Å²	60	36.6 Å²	36.6	26%	0.263	20%	0.201	S	C	.	.	H	α-helix	trans	-93.6	-36.1	-177	-61.3	-84.6	0	0	0	113.3	M457 V459 F475 I542 K543	M457-F545 HydrophobicContact CE-CB 3.52Å; M457-F545 HydrophobicContact CE-CD1 4.05Å; M457-F545 HydrophobicContact CE-CD2 3.72Å; M457-F545 HydrophobicContact CE-CE2 4.41Å; M457-F545 HydrophobicContact CE-CG 3.49Å; M457-F545 VanDerWaalsContact CE-CG 3.49Å; M457-F545 HydrophobicContact SD-CB 3.58Å; M457-F545 VanDerWaalsContact SD-CB 3.58Å; M457-F545 HydrophobicContact SD-CG 4.25Å; V459-F545 HydrophobicContact CG1-CD1 4.12Å; V459-F545 HydrophobicContact CG2-CB 3.83Å; V459-F545 HydrophobicContact CG2-CD1 4Å; V459-F545 HydrophobicContact CG2-CG 4.33Å; F475-F545 AromaticContact CD1-CE2 3.96Å; F475-F545 HydrophobicContact CD1-CE2 3.96Å; F475-F545 HydrophobicContact CD1-CZ 4.06Å; F475-F545 HydrophobicContact CE1-CD2 4.13Å; F475-F545 AromaticContact CE1-CE2 3.42Å; F475-F545 HydrophobicContact CE1-CE2 3.42Å; F475-F545 VanDerWaalsContact CE1-CE2 3.42Å; F475-F545 AromaticContact CE1-CZ 3.97Å; F475-F545 HydrophobicContact CE1-CZ 3.97Å; F475-F545 AromaticContact CZ-CE2 3.98Å; F475-F545 HydrophobicContact CZ-CE2 3.98Å; I542-F545 WeakPolarHBondContact O-CB 3.17Å; I542-F545 PolarHBondContact O-N 2.81Å; K543-F545 PolarHBondContact O-N 2.85Å; K543-F545 VanDerWaalsContact O-N 3.1Å
546	I	77	Confident	75.7	Confident	22 Å²	22	35.3 Å²	35.3	11%	0.113	19%	0.192	C	C	.	.	H	α-helix	trans	-93.6	-12.7	-178.5	62.5	174.6	0	0	0	113.3	L439 M457 I538 I542 K543 I554	L439-I546 HydrophobicContact CB-CG2 4.23Å; M457-I546 HydrophobicContact CB-CG2 4.3Å; M457-I546 HydrophobicContact SD-CG2 3.86Å; I538-I546 HydrophobicContact CD1-CD1 3.87Å; I538-I546 HydrophobicContact CG2-CD1 3.9Å; I542-I546 HydrophobicContact CG1-CD1 4.39Å; I542-I546 PolarHBondContact O-N 2.83Å; K543-I546 PolarHBondContact O-N 2.96Å; I546-I554 HydrophobicContact CD1-CD1 4.24Å
547	G	65.6	Low	76.4	Confident	25 Å²	25	36.2 Å²	36.2	26%	0.258	20%	0.195	S	C	.	.			trans	94.8	175.7	-176.8	0	0	0	0	0	113.6	K543	K543-G547 PolarHBondContact O-N 2.92Å
548	Y	57.7	Low	76.9	Confident	68 Å²	68	33.2 Å²	33.2	27%	0.267	18%	0.182	S	C	.	.			trans	-91.3	155.2	-177.3	-69.3	-106.4	0	0	0	110.8	V336 P337 T550 N551	V336-Y548 WeakPolarHBondContact CG1-OH 3.35Å; P337-Y548 HydrophobicContact CB-CD1 4.11Å; P337-Y548 HydrophobicContact CB-CD2 3.72Å; P337-Y548 HydrophobicContact CB-CE2 4.38Å; P337-Y548 HydrophobicContact CB-CG 3.55Å; P337-Y548 VanDerWaalsContact CD-CD2 3.45Å; P337-Y548 VanDerWaalsContact CD-CE2 3.43Å; P337-Y548 HydrophobicContact CG-CD2 3.3Å; P337-Y548 HydrophobicContact CG-CE2 3.88Å; P337-Y548 HydrophobicContact CG-CG 3.71Å; P337-Y548 WeakPolarHBondContact O-CD1 3.19Å; P337-Y548 VanDerWaalsContact O-CE1 3.24Å; P337-Y548 WeakPolarHBondContact O-CE1 3.4Å; Y548-T550 PolarHBondContact O-N 3.42Å; Y548-N551 PolarHBondContact O-N 2.92Å
549	A	51.4	Low	77.2	Confident	15 Å²	15	33.3 Å²	33.3	12%	0.124	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-27.9	-177.2	0	0	0	0	0	113.2	Q131 N551 L552	Q131-A549 PolarHBondContact NE2-O 2.95Å; A549-N551 CarbonylContact O-C 3.56Å; A549-N551 PolarHBondContact O-N 2.96Å; A549-N551 VanDerWaalsContact O-N 3.1Å; A549-L552 PolarHBondContact O-N 2.8Å
550	T	50.9	Low	77.4	Confident	15 Å²	15	33.2 Å²	33.2	9%	0.092	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.8	-34.5	175.1	61.1	0	0	0	0	112.9	Y548	Y548-T550 PolarHBondContact O-N 3.42Å
551	N	54.7	Low	77.7	Confident	86 Å²	86	32.3 Å²	32.3	46%	0.46	18%	0.178	S	C	.	.	S	Bend	trans	-94.4	92	167.7	-67.7	-8.2	0	0	0	108.2	Y548 A549 S553 I554	Y548-N551 PolarHBondContact O-N 2.92Å; A549-N551 CarbonylContact O-C 3.56Å; A549-N551 PolarHBondContact O-N 2.96Å; A549-N551 VanDerWaalsContact O-N 3.1Å; N551-S553 PolarHBondContact O-N 2.78Å; N551-I554 WeakPolarHBondContact O-CG2 3.33Å
552	L	56.9	Low	77.7	Confident	31 Å²	31	30.1 Å²	30.1	16%	0.162	17%	0.167	C	C	.	.	S	Bend	trans	-57.2	-19.2	179.2	-79.4	109	0	0	0	114	F132 L375 T377 Y409 A549 I554	F132-L552 HydrophobicContact CE2-CD1 4.12Å; F132-L552 HydrophobicContact CZ-CD1 3.62Å; L375-L552 HydrophobicContact CD1-CD2 4.38Å; L375-L552 HydrophobicContact CD2-CD2 3.81Å; L375-L552 HydrophobicContact CG-CD2 4.13Å; T377-L552 VanDerWaalsContact CA-CD1 3.41Å; T377-L552 HydrophobicContact CG2-CD1 4.31Å; T377-L552 HydrophobicContact CG2-CD2 4.29Å; T377-L552 WeakPolarHBondContact O-CD1 3.28Å; Y409-L552 HydrophobicContact CD1-CB 4.17Å; Y409-L552 HydrophobicContact CE1-CB 3.65Å; A549-L552 PolarHBondContact O-N 2.8Å; L552-I554 VanDerWaalsContact C-N 3.28Å; L552-I554 PolarHBondContact O-N 2.01Å
553	S	73.5	Confident	77.9	Confident	37 Å²	37	30.2 Å²	30.2	26%	0.259	17%	0.167	S	C	.	.			trans	-81.3	71.4	174.2	-159.9	0	0	0	0	111.4	G408 N551	G408-S553 WeakPolarHBondContact O-CA 3.13Å; G408-S553 PolarHBondContact O-OG 2.96Å; N551-S553 PolarHBondContact O-N 2.78Å
554	I	83.4	Confident	78.5	Confident	11 Å²	11	30.8 Å²	30.8	6%	0.056	17%	0.171	C	C	.	.			trans	-89.5	-11.8	171	59.5	160.3	0	0	0	112.6	L439 I538 I546 N551 L552	L439-I554 WeakPolarHBondContact CB-O 3.43Å; L439-I554 PolarHBondContact N-O 2.93Å; I538-I554 HydrophobicContact CD1-CD1 3.26Å; I546-I554 HydrophobicContact CD1-CD1 4.24Å; N551-I554 WeakPolarHBondContact O-CG2 3.33Å; L552-I554 VanDerWaalsContact C-N 3.28Å; L552-I554 PolarHBondContact O-N 2.01Å
555	G	92.8	Very high	79.3	Confident	2 Å²	2	26.9 Å²	26.9	2%	0.021	15%	0.145	C	C	.	.	B	Isolated β-bridge	trans	-78.3	162.7	-174.6	0	0	0	0	0	114	G408 G530	G408-G555 WeakPolarHBondContact CA-O 3.32Å; G408-G555 WeakPolarHBondContact O-CA 3.24Å; G408-G555 PolarHBondContact O-N 3.46Å; G530-G555 CarbonylContact O-C 3.5Å; G530-G555 WeakPolarHBondContact O-CA 3.42Å
556	F	96.2	Very high	79.6	Confident	0 Å²	0	26 Å²	26	0%	0	14%	0.143	C	C	.	.			trans	-60.3	141.3	168.9	174.9	-114.5	0	0	0	112.1	Y406 G408 F431 P433 L439 I440 L458 G530 I560	Y406-F556 CarbonylContact C-O 3.5Å; Y406-F556 WeakPolarHBondContact CB-O 3.41Å; Y406-F556 HydrophobicContact CD2-CD1 4.07Å; Y406-F556 HydrophobicContact CD2-CE1 4.44Å; Y406-F556 HydrophobicContact CG-CD1 4.25Å; G408-F556 WeakPolarHBondContact CA-O 3.2Å; G408-F556 PolarHBondContact N-O 3.16Å; F431-F556 HydrophobicContact CB-CZ 4.2Å; F431-F556 AromaticContact CD2-CE2 3.82Å; F431-F556 HydrophobicContact CD2-CE2 3.82Å; F431-F556 AromaticContact CD2-CZ 3.83Å; F431-F556 HydrophobicContact CD2-CZ 3.83Å; F431-F556 HydrophobicContact CE2-CE2 4.45Å; P433-F556 HydrophobicContact CB-CE2 3.89Å; P433-F556 HydrophobicContact CB-CZ 4.43Å; L439-F556 VanDerWaalsContact O-CB 3.29Å; L439-F556 WeakPolarHBondContact O-CB 3.41Å; L439-F556 PolarHBondContact O-N 2.75Å; I440-F556 HydrophobicContact CD1-CD2 4.28Å; I440-F556 HydrophobicContact CD1-CE2 4.48Å; I440-F556 HydrophobicContact CG1-CB 4.04Å; I440-F556 HydrophobicContact CG1-CD2 3.64Å; I440-F556 HydrophobicContact CG1-CE2 4.27Å; I440-F556 HydrophobicContact CG1-CG 3.92Å; L458-F556 HydrophobicContact CD1-CD2 3.92Å; L458-F556 HydrophobicContact CD1-CE2 3.79Å; G530-F556 PolarHBondContact O-N 2.86Å; F556-I560 HydrophobicContact CD1-CD1 3.99Å; F556-I560 HydrophobicContact CD1-CG1 4.15Å; F556-I560 HydrophobicContact CE1-CD1 4.08Å; F556-I560 HydrophobicContact CE1-CG1 3.72Å
557	Q	96.4	Very high	79.8	Confident	45 Å²	45	27.5 Å²	27.5	21%	0.21	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	111.9	170.2	-73.9	178.6	46.9	0	0	109.4	Y406 N407 S434 K435	Y406-Q557 CarbonylContact O-C 3.57Å; Y406-Q557 VanDerWaalsContact O-CA 3.26Å; Y406-Q557 WeakPolarHBondContact O-CA 3.37Å; N407-Q557 VanDerWaalsContact C-CG 3.44Å; S434-Q557 PolarHBondContact N-O 3.44Å; K435-Q557 HydrophobicContact CB-CB 4.05Å; K435-Q557 HydrophobicContact CG-CB 3.73Å; K435-Q557 HydrophobicContact CG-CG 4.19Å
558	G	96.2	Very high	80.6	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	150.8	-168.8	-175.5	0	0	0	0	0	113.4	Y405 Y406 R432	Y405-G558 WeakPolarHBondContact CA-O 3.32Å; Y406-G558 PolarHBondContact N-O 3.48Å; Y406-G558 PolarHBondContact O-N 3.25Å; R432-G558 CarbonylContact O-C 3.6Å; R432-G558 WeakPolarHBondContact O-CA 3.01Å
559	C	94.4	Very high	81.9	Confident	2 Å²	2	32.6 Å²	32.6	1%	0.014	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	148.2	-178	-49.7	0	0	0	0	112.2	P404 F431 R432 W487 C585	P404-C559 WeakPolarHBondContact O-CA 3.37Å; F431-C559 CarbonylContact C-O 3.31Å; F431-C559 VanDerWaalsContact CA-O 3.23Å; F431-C559 WeakPolarHBondContact CA-O 3.42Å; R432-C559 HydrophobicContact CB-CB 4.31Å; R432-C559 PolarHBondContact N-O 3.35Å; R432-C559 PolarHBondContact O-N 3.35Å; W487-C559 HydrophobicContact CH2-CB 3.82Å; W487-C559 HydrophobicContact CZ2-CB 4.41Å; W487-C559 HydrophobicContact CZ3-CB 4.46Å; C559-C585 HydrophobicContact CB-CB 3.68Å; C559-C585 WeakPolarHBondContact CB-SG 3.44Å; C559-C585 VanDerWaalsContact SG-CA 3.59Å; C559-C585 WeakPolarHBondContact SG-CB 3.21Å; C559-C585 CovalentContact SG-SG 2.01Å; C559-C585 PolarHBondContact SG-SG 2.87Å
560	I	94.2	Very high	83.7	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	123.8	172	-58.4	176	0	0	0	108.1	P404 Y406 L429 Q430 F431 I440 L529 F556 I563	P404-I560 WeakPolarHBondContact CD-O 3.12Å; P404-I560 PolarHBondContact O-N 3.16Å; Y406-I560 HydrophobicContact CD2-CD1 3.91Å; Y406-I560 HydrophobicContact CD2-CG1 4.09Å; Y406-I560 HydrophobicContact CE2-CB 4.05Å; Y406-I560 HydrophobicContact CE2-CD1 3.64Å; Y406-I560 HydrophobicContact CE2-CG1 3.89Å; L429-I560 HydrophobicContact CD1-CD1 4.44Å; L429-I560 HydrophobicContact CD1-CG2 3.55Å; Q430-I560 WeakPolarHBondContact O-CA 3.25Å; F431-I560 HydrophobicContact CB-CG1 4.16Å; I440-I560 HydrophobicContact CG2-CD1 3.84Å; L529-I560 HydrophobicContact CD1-CD1 3.81Å; L529-I560 HydrophobicContact CD2-CB 4.38Å; L529-I560 HydrophobicContact CD2-CD1 3.65Å; L529-I560 HydrophobicContact CD2-CG2 4.1Å; L529-I560 HydrophobicContact CG-CD1 3.55Å; F556-I560 HydrophobicContact CD1-CD1 3.99Å; F556-I560 HydrophobicContact CD1-CG1 4.15Å; F556-I560 HydrophobicContact CE1-CD1 4.08Å; F556-I560 HydrophobicContact CE1-CG1 3.72Å; I560-I563 HydrophobicContact CG2-CD1 4.09Å; I560-I563 HydrophobicContact CG2-CG1 4.12Å
561	S	86.9	Confident	85.4	Confident	29 Å²	29	34.2 Å²	34.2	20%	0.203	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	-27.9	-174.7	59.8	0	0	0	0	114	Q430 W487	Q430-S561 WeakPolarHBondContact CB-OG 3.12Å; Q430-S561 VanDerWaalsContact CG-OG 3.23Å; Q430-S561 WeakPolarHBondContact CG-OG 3.4Å; Q430-S561 PolarHBondContact O-N 3.41Å; Q430-S561 PolarHBondContact OE1-OG 2.63Å; W487-S561 VanDerWaalsContact CZ3-OG 3.28Å; W487-S561 WeakPolarHBondContact CZ3-OG 3.47Å
562	K	84.5	Confident	87.1	Confident	50 Å²	50	30.7 Å²	30.7	22%	0.217	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	136.2	-176	-173.4	-171.1	173.6	-166.4	0	110	E428 L429 Q430 E564 L569	E428-K562 VanDerWaalsContact CD-NZ 3.35Å; E428-K562 WeakPolarHBondContact OE1-CE 3.03Å; E428-K562 IonicContact OE1-NZ 2.73Å; E428-K562 PolarHBondContact OE1-NZ 2.85Å; E428-K562 IonicContact OE2-NZ 3.77Å; L429-K562 WeakPolarHBondContact CA-O 3.3Å; Q430-K562 HydrophobicContact CB-CB 3.79Å; Q430-K562 PolarHBondContact N-O 2.9Å; K562-E564 VanDerWaalsContact CE-OE2 3.28Å; K562-E564 WeakPolarHBondContact CE-OE2 3.29Å; K562-E564 IonicContact NZ-OE2 3.93Å; K562-E564 PolarHBondContact NZ-OE2 2.88Å; K562-L569 HydrophobicContact CD-CD1 4.24Å; K562-L569 HydrophobicContact CG-CD1 3.77Å
563	I	92.9	Very high	88.7	Confident	1 Å²	1	30.7 Å²	30.7	1%	0.005	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	134.2	163.3	-71.6	159.8	0	0	0	108.4	E428 L429 L529 I560 T565 I570	E428-I563 CarbonylContact O-C 3.56Å; E428-I563 WeakPolarHBondContact O-CA 3.41Å; L429-I563 HydrophobicContact CD1-CD1 4.19Å; L429-I563 HydrophobicContact CD1-CG1 3.56Å; L529-I563 HydrophobicContact CD1-CD1 3.37Å; L529-I563 HydrophobicContact CD1-CG1 4.29Å; L529-I563 HydrophobicContact CD2-CD1 3.16Å; L529-I563 HydrophobicContact CD2-CG1 4.49Å; L529-I563 HydrophobicContact CG-CD1 3.83Å; I560-I563 HydrophobicContact CG2-CD1 4.09Å; I560-I563 HydrophobicContact CG2-CG1 4.12Å; I563-T565 HydrophobicContact CG2-CG2 3.95Å; I563-I570 HydrophobicContact CB-CB 4.24Å; I563-I570 HydrophobicContact CG2-CB 4.08Å; I563-I570 HydrophobicContact CG2-CD1 4.08Å; I563-I570 HydrophobicContact CG2-CG1 4.42Å; I563-I570 PolarHBondContact O-N 2.78Å
564	E	89.3	Confident	89.5	Confident	55 Å²	55	37.1 Å²	37.1	26%	0.257	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	131.7	170.5	-170.5	177.2	154.8	0	0	108.6	L427 E428 K562 V568	L427-E564 CarbonylContact C-O 3.54Å; L427-E564 VanDerWaalsContact CA-O 3.32Å; L427-E564 WeakPolarHBondContact CA-O 3.45Å; E428-E564 HydrophobicContact CB-CB 4.17Å; E428-E564 PolarHBondContact N-O 2.83Å; E428-E564 PolarHBondContact O-N 3.15Å; K562-E564 VanDerWaalsContact CE-OE2 3.28Å; K562-E564 WeakPolarHBondContact CE-OE2 3.29Å; K562-E564 IonicContact NZ-OE2 3.93Å; K562-E564 PolarHBondContact NZ-OE2 2.88Å; E564-V568 CarbonylContact C-O 3.58Å; E564-V568 VanDerWaalsContact CA-O 3.3Å; E564-V568 WeakPolarHBondContact CA-O 3.49Å
565	T	89.7	Confident	89.9	Confident	10 Å²	10	40.7 Å²	40.7	6%	0.061	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	127.8	179.9	62.8	0	0	0	0	110	L417 T426 L427 L527 I563 G567 V568 I570	L417-T565 VanDerWaalsContact CD2-CB 3.4Å; L417-T565 HydrophobicContact CD2-CG2 3.93Å; L417-T565 WeakPolarHBondContact CD2-OG1 3.29Å; T426-T565 CarbonylContact O-C 3.22Å; T426-T565 WeakPolarHBondContact O-CA 3.37Å; L427-T565 HydrophobicContact CG-CG2 4.35Å; L527-T565 HydrophobicContact CD1-CG2 4.45Å; I563-T565 HydrophobicContact CG2-CG2 3.95Å; T565-G567 PolarHBondContact O-N 2.69Å; T565-V568 PolarHBondContact N-O 2.8Å; T565-V568 WeakPolarHBondContact O-CB 3.36Å; T565-V568 PolarHBondContact O-N 2.78Å; T565-I570 HydrophobicContact CG2-CD1 4.22Å
566	N	87.1	Confident	90	Very high	43 Å²	43	41.4 Å²	41.4	23%	0.23	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.7	34.6	-177.9	-63.1	-25.7	0	0	0	113.4	T420 S421 T425 T426 V568	T420-N566 PolarHBondContact OG1-ND2 3.33Å; S421-N566 PolarHBondContact OG-ND2 2.75Å; T425-N566 WeakPolarHBondContact CA-OD1 3.32Å; T426-N566 PolarHBondContact N-OD1 3.43Å; T426-N566 PolarHBondContact O-N 2.68Å; T426-N566 VanDerWaalsContact OG1-CA 3.26Å; T426-N566 WeakPolarHBondContact OG1-CA 3.36Å; T426-N566 PolarHBondContact OG1-N 3.2Å; N566-V568 VanDerWaalsContact C-N 3.33Å
567	G	80.1	Confident	90	Very high	53 Å²	53	46.3 Å²	46.3	55%	0.546	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.3	2.7	-177.5	0	0	0	0	0	115.6	T565	T565-G567 PolarHBondContact O-N 2.69Å
568	V	82.7	Confident	89.9	Confident	89 Å²	89	45.1 Å²	45.1	54%	0.539	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	115.8	176	-178.4	0	0	0	0	109.4	E564 T565 N566	E564-V568 CarbonylContact C-O 3.58Å; E564-V568 VanDerWaalsContact CA-O 3.3Å; E564-V568 WeakPolarHBondContact CA-O 3.49Å; T565-V568 PolarHBondContact N-O 2.8Å; T565-V568 WeakPolarHBondContact O-CB 3.36Å; T565-V568 PolarHBondContact O-N 2.78Å; N566-V568 VanDerWaalsContact C-N 3.33Å
569	L	85.9	Confident	89.8	Confident	111 Å²	111	45.6 Å²	45.6	58%	0.581	26%	0.257	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.8	125.4	172.5	-174.2	71.6	0	0	0	110.1	K562	K562-L569 HydrophobicContact CD-CD1 4.24Å; K562-L569 HydrophobicContact CG-CD1 3.77Å
570	I	88.6	Confident	89.9	Confident	16 Å²	16	46 Å²	46	8%	0.082	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	113.9	177.8	-58.7	177.8	0	0	0	107.6	Y414 I563 T565 P572 N575	Y414-I570 HydrophobicContact CD1-CG2 3.35Å; Y414-I570 HydrophobicContact CE1-CG2 3.49Å; Y414-I570 VanDerWaalsContact CE1-CG2 3.49Å; Y414-I570 HydrophobicContact CG-CG2 4.13Å; I563-I570 HydrophobicContact CB-CB 4.24Å; I563-I570 HydrophobicContact CG2-CB 4.08Å; I563-I570 HydrophobicContact CG2-CD1 4.08Å; I563-I570 HydrophobicContact CG2-CG1 4.42Å; I563-I570 PolarHBondContact O-N 2.78Å; T565-I570 HydrophobicContact CG2-CD1 4.22Å; I570-P572 VanDerWaalsContact O-CD 3.28Å; I570-P572 WeakPolarHBondContact O-CD 3.34Å; I570-N575 HydrophobicContact CG2-CB 3.83Å
571	D	87.4	Confident	89.9	Confident	48 Å²	48	46.9 Å²	46.9	26%	0.257	27%	0.265	S	S	.	.			trans	-68.2	117.7	170	-176.6	-54	0	0	0	108.5	I573 K574 N575	D571-I573 PolarHBondContact O-N 2.87Å; D571-I573 PolarHBondContact OD1-N 2.85Å; D571-K574 HydrophobicContact CB-CB 3.97Å; D571-K574 PolarHBondContact O-N 3.04Å; D571-K574 PolarHBondContact OD1-N 3.4Å; D571-K574 WeakPolarHBondContact OD2-CD 3.23Å; D571-K574 IonicContact OD2-NZ 3.49Å; D571-N575 VanDerWaalsContact CB-OD1 3.28Å; D571-N575 WeakPolarHBondContact CB-OD1 3.44Å; D571-N575 PolarHBondContact N-OD1 3.36Å; D571-N575 WeakPolarHBondContact O-CB 3.41Å; D571-N575 PolarHBondContact O-N 2.81Å; D571-N575 VanDerWaalsContact O-N 3.1Å
572	P	89.8	Confident	90.4	Very high	11 Å²	11	45.6 Å²	45.6	7%	0.071	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-7.6	-173.5	-24.3	34.9	0	0	0	115.6	P404 Y414 I570	P404-P572 HydrophobicContact CG-CB 3.68Å; Y414-P572 VanDerWaalsContact OH-C 3.31Å; Y414-P572 VanDerWaalsContact OH-CA 3.22Å; Y414-P572 WeakPolarHBondContact OH-CA 3.39Å; Y414-P572 PolarHBondContact OH-O 3.05Å; I570-P572 VanDerWaalsContact O-CD 3.28Å; I570-P572 WeakPolarHBondContact O-CD 3.34Å
573	I	90.9	Very high	90.8	Very high	31 Å²	31	46.6 Å²	46.6	16%	0.159	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.7	-51.3	174.6	-60.4	-59.1	0	0	0	110.6	L401 P404 D571 N575 A576 I582	L401-I573 HydrophobicContact CB-CD1 3.87Å; L401-I573 HydrophobicContact CB-CG1 4.27Å; L401-I573 HydrophobicContact CB-CG2 3.95Å; L401-I573 HydrophobicContact CD1-CD1 4.29Å; P404-I573 HydrophobicContact CB-CD1 3.9Å; P404-I573 HydrophobicContact CG-CD1 4.14Å; D571-I573 PolarHBondContact O-N 2.87Å; D571-I573 PolarHBondContact OD1-N 2.85Å; I573-N575 PolarHBondContact O-N 2.91Å; I573-A576 PolarHBondContact O-N 2.73Å; I573-I582 HydrophobicContact CD1-CG2 4.3Å
574	K	89.9	Confident	90.7	Very high	172 Å²	172	48.4 Å²	48.4	75%	0.748	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-29.4	-171.4	-62.2	178.4	-170.4	153.8	0	113.8	D571	D571-K574 HydrophobicContact CB-CB 3.97Å; D571-K574 PolarHBondContact O-N 3.04Å; D571-K574 PolarHBondContact OD1-N 3.4Å; D571-K574 WeakPolarHBondContact OD2-CD 3.23Å; D571-K574 IonicContact OD2-NZ 3.49Å
575	N	92.6	Very high	90.7	Very high	86 Å²	86	46 Å²	46	46%	0.46	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-3.2	179	-65.9	116.3	0	0	0	112.9	Y414 I570 D571 I573 I577	Y414-N575 HydrophobicContact CD1-CB 4.34Å; Y414-N575 WeakPolarHBondContact CD1-O 3.4Å; Y414-N575 HydrophobicContact CE1-CB 4.48Å; I570-N575 HydrophobicContact CG2-CB 3.83Å; D571-N575 VanDerWaalsContact CB-OD1 3.28Å; D571-N575 WeakPolarHBondContact CB-OD1 3.44Å; D571-N575 PolarHBondContact N-OD1 3.36Å; D571-N575 WeakPolarHBondContact O-CB 3.41Å; D571-N575 PolarHBondContact O-N 2.81Å; D571-N575 VanDerWaalsContact O-N 3.1Å; I573-N575 PolarHBondContact O-N 2.91Å; N575-I577 PolarHBondContact O-N 3.05Å
576	A	94.9	Very high	90.4	Very high	18 Å²	18	49.3 Å²	49.3	15%	0.149	28%	0.284	C	S	.	.			trans	-69	125	176	0	0	0	0	0	109.9	L388 T412 E413 Y414 I573 G578	L388-A576 HydrophobicContact CD1-CB 3.86Å; T412-A576 HydrophobicContact CG2-CB 4.45Å; E413-A576 CarbonylContact O-C 3.27Å; E413-A576 WeakPolarHBondContact O-CA 3.16Å; Y414-A576 HydrophobicContact CD1-CB 4.47Å; Y414-A576 HydrophobicContact CE1-CB 3.85Å; I573-A576 PolarHBondContact O-N 2.73Å; A576-G578 VanDerWaalsContact C-N 3.35Å
577	I	94.9	Very high	89.9	Confident	103 Å²	103	48.5 Å²	48.5	53%	0.528	29%	0.285	S	S	.	.	S	Bend	trans	-82.9	-18.9	174.3	58.9	170.7	0	0	0	111.9	E413 N575	E413-I577 HydrophobicContact CB-CG1 4.08Å; E413-I577 HydrophobicContact CG-CD1 3.93Å; E413-I577 HydrophobicContact CG-CG1 3.82Å; E413-I577 VanDerWaalsContact O-CG1 3.32Å; E413-I577 WeakPolarHBondContact O-CG1 3.45Å; E413-I577 PolarHBondContact O-N 3.16Å; N575-I577 PolarHBondContact O-N 3.05Å
578	G	94.2	Very high	89.6	Confident	19 Å²	19	46.9 Å²	46.9	20%	0.196	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.7	169.9	178	0	0	0	0	0	111.4	T412 E413 A576	T412-G578 WeakPolarHBondContact CA-O 3.38Å; E413-G578 PolarHBondContact N-O 2.83Å; A576-G578 VanDerWaalsContact C-N 3.35Å
579	G	95.7	Very high	89.1	Confident	10 Å²	10	45.4 Å²	45.4	10%	0.103	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	171.8	160.1	175.8	0	0	0	0	0	113.1	P387 L388 Y411	P387-G579 CarbonylContact C-O 3.57Å; P387-G579 WeakPolarHBondContact CA-O 3.4Å; L388-G579 PolarHBondContact N-O 3.28Å; L388-G579 VanDerWaalsContact N-O 3.08Å; Y411-G579 CarbonylContact O-C 3.55Å; Y411-G579 WeakPolarHBondContact O-CA 3.35Å
580	V	95.8	Very high	88.9	Confident	11 Å²	11	40.9 Å²	40.9	7%	0.067	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	142.8	-173.7	164.3	0	0	0	0	110.7	Q385 C386 S410 Y411 I582	Q385-V580 HydrophobicContact CB-CG1 3.6Å; Q385-V580 HydrophobicContact CB-CG2 4.15Å; Q385-V580 HydrophobicContact CG-CG1 4.03Å; C386-V580 CarbonylContact O-C 3.56Å; C386-V580 VanDerWaalsContact O-CA 3.25Å; C386-V580 WeakPolarHBondContact O-CA 3.49Å; S410-V580 WeakPolarHBondContact CA-O 3.28Å; S410-V580 VanDerWaalsContact CB-O 3.3Å; S410-V580 WeakPolarHBondContact CB-O 3.39Å; Y411-V580 HydrophobicContact CD1-CB 4Å; Y411-V580 HydrophobicContact CE1-CB 3.52Å; Y411-V580 HydrophobicContact CE1-CG1 4.16Å; Y411-V580 HydrophobicContact CE1-CG2 3.69Å; Y411-V580 HydrophobicContact CE2-CB 4.48Å; Y411-V580 HydrophobicContact CE2-CG2 4.29Å; Y411-V580 VanDerWaalsContact CZ-CG2 3.48Å; Y411-V580 PolarHBondContact N-O 2.84Å; Y411-V580 PolarHBondContact O-N 2.87Å; Y411-V580 VanDerWaalsContact OH-CG2 3.26Å; Y411-V580 WeakPolarHBondContact OH-CG2 3.3Å; V580-I582 PolarHBondContact O-N 3.36Å
581	N	95.2	Very high	88.3	Confident	18 Å²	18	43 Å²	43	10%	0.096	25%	0.253	C	S	.	.	S	Bend	trans	54.6	33.7	172.3	-63.7	-27.1	0	0	0	113.9	C384 C386 S410	C384-N581 PolarHBondContact O-OD1 3.48Å; C386-N581 PolarHBondContact N-OD1 3.33Å; C386-N581 PolarHBondContact O-N 3.21Å; S410-N581 WeakPolarHBondContact CB-O 3.44Å; S410-N581 PolarHBondContact OG-O 2.79Å
582	I	95.9	Very high	87.9	Confident	2 Å²	2	43.4 Å²	43.4	1%	0.01	25%	0.253	C	S	.	.			trans	-86.1	128.3	179.6	-58.3	-65.8	0	0	0	110	L388 L401 P404 Y406 T412 I573 V580	L388-I582 HydrophobicContact CD2-CB 3.84Å; L388-I582 HydrophobicContact CD2-CG1 3.59Å; L388-I582 HydrophobicContact CD2-CG2 4.36Å; L401-I582 HydrophobicContact CD1-CB 4.19Å; L401-I582 HydrophobicContact CD1-CG2 3.89Å; L401-I582 HydrophobicContact CD2-CG2 4.21Å; P404-I582 HydrophobicContact CB-CD1 4.4Å; P404-I582 HydrophobicContact CB-CG2 3.57Å; Y406-I582 HydrophobicContact CD1-CD1 3.65Å; Y406-I582 HydrophobicContact CE1-CD1 3.29Å; Y406-I582 HydrophobicContact CG-CD1 4.44Å; T412-I582 HydrophobicContact CG2-CD1 3.71Å; T412-I582 HydrophobicContact CG2-CG1 3.76Å; I573-I582 HydrophobicContact CD1-CG2 4.3Å; V580-I582 PolarHBondContact O-N 3.36Å
583	L	93.1	Very high	87.3	Confident	71 Å²	71	47.6 Å²	47.6	37%	0.372	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	174.2	173.2	-60.8	176.1	0	0	0	109.9	P404 Y405	P404-L583 CarbonylContact C-O 3.44Å; P404-L583 WeakPolarHBondContact CA-O 3.37Å; Y405-L583 HydrophobicContact CD1-CB 4.45Å; Y405-L583 PolarHBondContact N-O 3.47Å; Y405-L583 PolarHBondContact O-N 3Å
584	N	90.7	Very high	86.9	Confident	39 Å²	39	52.5 Å²	52.5	21%	0.209	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	140.6	169.8	-73.8	-59.8	0	0	0	111.4	E400 L401 I402 M403 F592	E400-N584 PolarHBondContact O-ND2 2.02Å; L401-N584 WeakPolarHBondContact CA-OD1 3.05Å; I402-N584 PolarHBondContact N-OD1 3Å; M403-N584 WeakPolarHBondContact O-CA 3.29Å; N584-F592 HydrophobicContact CB-CZ 4.06Å; N584-F592 VanDerWaalsContact ND2-CE1 3.29Å; N584-F592 WeakPolarHBondContact ND2-CE1 3.05Å
585	C	89.8	Confident	86.7	Confident	5 Å²	5	47.8 Å²	47.8	3%	0.034	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-57.1	128.4	172.1	-177	0	0	0	0	111.9	M403 C559 G587 Q588	M403-C585 HydrophobicContact CG-CB 3.62Å; M403-C585 PolarHBondContact O-N 3.17Å; M403-C585 HydrophobicContact SD-CB 3.86Å; C559-C585 HydrophobicContact CB-CB 3.68Å; C559-C585 WeakPolarHBondContact CB-SG 3.44Å; C559-C585 VanDerWaalsContact SG-CA 3.59Å; C559-C585 WeakPolarHBondContact SG-CB 3.21Å; C559-C585 CovalentContact SG-SG 2.01Å; C559-C585 PolarHBondContact SG-SG 2.87Å; C585-G587 PolarHBondContact O-N 2.75Å; C585-Q588 HydrophobicContact CB-CB 4.43Å; C585-Q588 WeakPolarHBondContact O-CB 3.35Å; C585-Q588 PolarHBondContact O-N 2.87Å; C585-Q588 VanDerWaalsContact O-N 3.16Å
586	P	84.1	Confident	86.5	Confident	80 Å²	80	45.1 Å²	45.1	52%	0.519	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	134	173.1	-23.4	33.6	0	0	0	112.2	R432	R432-P586 PolarHBondContact NH1-O 2.02Å
587	G	76.1	Confident	86.3	Confident	26 Å²	26	44.4 Å²	44.4	27%	0.268	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.7	9.7	-174.9	0	0	0	0	0	113.8	C585 E589 Q605 G609	C585-G587 PolarHBondContact O-N 2.75Å; G587-E589 WeakPolarHBondContact CA-OE2 3.4Å; G587-Q605 PolarHBondContact O-NE2 3.45Å; G587-G609 CarbonylContact O-C 3.52Å; G587-G609 VanDerWaalsContact O-CA 3.26Å; G587-G609 WeakPolarHBondContact O-CA 3.33Å
588	Q	72.8	Confident	86.3	Confident	19 Å²	19	42.6 Å²	42.6	9%	0.089	27%	0.268	C	S	.	.			trans	-107	92.9	167.4	-172.6	178.8	25.2	0	0	110.3	I402 C585 F592	I402-Q588 VanDerWaalsContact CG2-NE2 3.34Å; C585-Q588 HydrophobicContact CB-CB 4.43Å; C585-Q588 WeakPolarHBondContact O-CB 3.35Å; C585-Q588 PolarHBondContact O-N 2.87Å; C585-Q588 VanDerWaalsContact O-N 3.16Å; Q588-F592 WeakPolarHBondContact O-CE2 2.98Å
589	E	73	Confident	86.2	Confident	58 Å²	58	45.1 Å²	45.1	27%	0.271	28%	0.277	S	S	.	.			trans	-106.2	-6.8	-178.6	-62.3	84.7	162.5	0	0	112.5	G587 V596 F610	G587-E589 WeakPolarHBondContact CA-OE2 3.4Å; E589-V596 HydrophobicContact CB-CB 3.91Å; E589-V596 HydrophobicContact CB-CG1 3.73Å; E589-V596 HydrophobicContact CB-CG2 4.02Å; E589-V596 WeakPolarHBondContact O-CG1 3.26Å; E589-F610 HydrophobicContact CB-CB 4.19Å; E589-F610 HydrophobicContact CB-CD1 3.62Å; E589-F610 HydrophobicContact CB-CD2 4.34Å; E589-F610 HydrophobicContact CB-CE1 3.9Å; E589-F610 HydrophobicContact CB-CG 3.79Å; E589-F610 HydrophobicContact CB-CZ 4.42Å; E589-F610 VanDerWaalsContact CD-CE1 3.43Å; E589-F610 HydrophobicContact CG-CD1 3.62Å; E589-F610 HydrophobicContact CG-CE1 3.63Å; E589-F610 HydrophobicContact CG-CG 4.32Å; E589-F610 HydrophobicContact CG-CZ 4.43Å; E589-F610 WeakPolarHBondContact OE2-CD1 3.42Å
590	C	81.9	Confident	85.9	Confident	16 Å²	16	52.4 Å²	52.4	11%	0.108	31%	0.313	C	S	.	.	S	Bend	trans	-86.2	139.8	175.4	-57.7	0	0	0	0	112	C603 Q605	C590-C603 WeakPolarHBondContact CA-SG 3.42Å; C590-C603 HydrophobicContact CB-CB 3.72Å; C590-C603 WeakPolarHBondContact CB-SG 2.98Å; C590-C603 VanDerWaalsContact SG-C 3.51Å; C590-C603 WeakPolarHBondContact SG-CB 3.43Å; C590-C603 CovalentContact SG-SG 2.02Å; C590-C603 PolarHBondContact SG-SG 3.18Å; C590-Q605 HydrophobicContact CB-CB 4.12Å; C590-Q605 PolarHBondContact SG-N 3.24Å
591	G	76.4	Confident	85.7	Confident	59 Å²	59	52.5 Å²	52.5	61%	0.608	32%	0.317	S	S	*	.	S	Bend	trans	102.4	-6.3	171.5	0	0	0	0	0	115.2
592	F	77.7	Confident	85.3	Confident	58 Å²	58	57.2 Å²	57.2	25%	0.254	34%	0.336	S	S	.	.			trans	-70	148.2	175	-68.6	-74	0	0	0	111.5	I402 N584 Q588 N594	I402-F592 HydrophobicContact CD1-CB 4.23Å; I402-F592 HydrophobicContact CD1-CD1 3.46Å; I402-F592 VanDerWaalsContact CD1-CD1 3.46Å; I402-F592 HydrophobicContact CD1-CD2 3.71Å; I402-F592 HydrophobicContact CD1-CE1 3.56Å; I402-F592 HydrophobicContact CD1-CE2 3.83Å; I402-F592 HydrophobicContact CD1-CG 3.53Å; I402-F592 HydrophobicContact CD1-CZ 3.74Å; I402-F592 VanDerWaalsContact CD1-N 3.25Å; I402-F592 HydrophobicContact CG1-CD1 4.27Å; I402-F592 HydrophobicContact CG1-CE1 4.1Å; I402-F592 HydrophobicContact CG1-CZ 4.45Å; N584-F592 HydrophobicContact CB-CZ 4.06Å; N584-F592 VanDerWaalsContact ND2-CE1 3.29Å; N584-F592 WeakPolarHBondContact ND2-CE1 3.05Å; Q588-F592 WeakPolarHBondContact O-CE2 2.98Å; F592-N594 CarbonylContact O-C 3.57Å; F592-N594 PolarHBondContact O-N 2.86Å
593	S	77.7	Confident	84.8	Confident	99 Å²	99	58.9 Å²	58.9	69%	0.692	35%	0.348	S	S	*	.	S	Bend	trans	-55.1	-33	171.5	49	0	0	0	0	113.4	E400 P595	E400-S593 WeakPolarHBondContact OE2-CB 3.48Å; E400-S593 PolarHBondContact OE2-N 3.2Å; E400-S593 PolarHBondContact OE2-OG 3.48Å; S593-P595 VanDerWaalsContact O-CD 3.28Å; S593-P595 WeakPolarHBondContact O-CD 3.28Å
594	N	82.6	Confident	84.2	Confident	134 Å²	134	57.9 Å²	57.9	72%	0.717	34%	0.343	S	S	*	.	S	Bend	trans	-96.3	98.4	164.9	-170.9	18.5	0	0	0	110	F592 V596	F592-N594 CarbonylContact O-C 3.57Å; F592-N594 PolarHBondContact O-N 2.86Å; N594-V596 PolarHBondContact O-N 2.74Å
595	P	85.1	Confident	83.5	Confident	72 Å²	72	59.6 Å²	59.6	47%	0.468	35%	0.349	S	S	.	.			trans	-68.9	134	-172.4	27.3	-34.7	0	0	0	112	S593 C597	S593-P595 VanDerWaalsContact O-CD 3.28Å; S593-P595 WeakPolarHBondContact O-CD 3.28Å; P595-C597 PolarHBondContact O-N 3.46Å
596	V	88.4	Confident	82.4	Confident	30 Å²	30	63 Å²	63	18%	0.182	37%	0.367	C	S	.	.	S	Bend	trans	-64.1	-30.2	175	70.2	0	0	0	0	112.8	E589 N594 C603 F610 N622	E589-V596 HydrophobicContact CB-CB 3.91Å; E589-V596 HydrophobicContact CB-CG1 3.73Å; E589-V596 HydrophobicContact CB-CG2 4.02Å; E589-V596 WeakPolarHBondContact O-CG1 3.26Å; N594-V596 PolarHBondContact O-N 2.74Å; V596-C603 VanDerWaalsContact CG1-SG 3.53Å; V596-F610 HydrophobicContact CB-CD2 4.49Å; V596-F610 HydrophobicContact CB-CE2 4.13Å; V596-F610 HydrophobicContact CB-CZ 4.46Å; V596-F610 HydrophobicContact CG1-CD2 3.48Å; V596-F610 VanDerWaalsContact CG1-CD2 3.48Å; V596-F610 HydrophobicContact CG1-CE2 3.55Å; V596-F610 HydrophobicContact CG1-CG 4.19Å; V596-F610 HydrophobicContact CG1-CZ 4.26Å; V596-F610 HydrophobicContact CG2-CD2 4.19Å; V596-F610 HydrophobicContact CG2-CE1 4.2Å; V596-F610 HydrophobicContact CG2-CE2 3.42Å; V596-F610 VanDerWaalsContact CG2-CE2 3.42Å; V596-F610 HydrophobicContact CG2-CZ 3.39Å; V596-N622 VanDerWaalsContact O-CB 3.3Å; V596-N622 WeakPolarHBondContact O-CB 3.3Å
597	C	92.2	Very high	81.2	Confident	3 Å²	3	64.1 Å²	64.1	2%	0.02	37%	0.368	C	S	.	.	S	Bend	trans	-87.8	110.3	176	-54.2	0	0	0	0	109.8	P595 G601 C603 C612	P595-C597 PolarHBondContact O-N 3.46Å; C597-G601 VanDerWaalsContact CB-O 3.28Å; C597-G601 WeakPolarHBondContact CB-O 3.29Å; C597-C603 HydrophobicContact CB-CB 4.44Å; C597-C603 WeakPolarHBondContact SG-CA 3.36Å; C597-C603 WeakPolarHBondContact SG-CB 3.39Å; C597-C612 WeakPolarHBondContact CA-SG 3.04Å; C597-C612 HydrophobicContact CB-CB 3.75Å; C597-C612 WeakPolarHBondContact CB-SG 3.3Å; C597-C612 WeakPolarHBondContact SG-CA 3.49Å; C597-C612 WeakPolarHBondContact SG-CB 3.48Å; C597-C612 CovalentContact SG-SG 2.02Å; C597-C612 PolarHBondContact SG-SG 3.37Å
598	L	93.1	Very high	80.6	Confident	66 Å²	66	72.5 Å²	72.5	35%	0.346	40%	0.397	S	S	.	.			trans	-80.5	171.3	-177.9	-55.9	-179.4	0	0	0	111.5	N600 G601 N622 C623 K624	L598-N600 PolarHBondContact O-N 3.24Å; L598-G601 PolarHBondContact O-N 3.11Å; L598-N622 WeakPolarHBondContact CB-O 3.13Å; L598-N622 PolarHBondContact N-O 3.13Å; L598-C623 WeakPolarHBondContact O-CB 3.38Å; L598-K624 HydrophobicContact CD1-CB 3.98Å; L598-K624 HydrophobicContact CD1-CD 4.33Å; L598-K624 HydrophobicContact CD1-CG 3.96Å
599	N	93.2	Very high	80.5	Confident	72 Å²	72	72.2 Å²	72.2	39%	0.385	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.5	35.9	173.7	-58.3	-59.6	0	0	0	114.1	G601 P615 F618 C623	N599-G601 VanDerWaalsContact C-N 3.32Å; N599-P615 WeakPolarHBondContact O-CG 3.45Å; N599-F618 HydrophobicContact CB-CD1 3.71Å; N599-F618 HydrophobicContact CB-CD2 3.95Å; N599-F618 HydrophobicContact CB-CE1 3.6Å; N599-F618 HydrophobicContact CB-CE2 3.84Å; N599-F618 HydrophobicContact CB-CG 3.87Å; N599-F618 HydrophobicContact CB-CZ 3.66Å; N599-F618 WeakPolarHBondContact ND2-CD1 3.39Å; N599-F618 WeakPolarHBondContact ND2-CE1 3.46Å; N599-F618 WeakPolarHBondContact OD1-CE1 3.11Å; N599-C623 PolarHBondContact ND2-O 3.42Å
600	N	89.3	Confident	80.8	Confident	162 Å²	162	70.4 Å²	70.4	87%	0.866	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.3	24.5	-175	-56.5	-23	0	0	0	115	L598	L598-N600 PolarHBondContact O-N 3.24Å
601	G	90.9	Very high	80.8	Confident	13 Å²	13	72.4 Å²	72.4	13%	0.134	40%	0.402	C	S	.	.			trans	-61.4	140.4	170.9	0	0	0	0	0	112.7	C597 L598 N599 L613	C597-G601 VanDerWaalsContact CB-O 3.28Å; C597-G601 WeakPolarHBondContact CB-O 3.29Å; L598-G601 PolarHBondContact O-N 3.11Å; N599-G601 VanDerWaalsContact C-N 3.32Å; G601-L613 WeakPolarHBondContact CA-O 3.41Å
602	K	87.3	Confident	81.4	Confident	118 Å²	118	69.9 Å²	69.9	51%	0.513	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	115.9	177.6	-178.1	179.8	179.7	-177.5	0	109.5	L604 L613	K602-L604 HydrophobicContact CD-CD2 4.33Å; K602-L604 HydrophobicContact CG-CD2 4.34Å; K602-L604 PolarHBondContact O-N 3.47Å; K602-L613 HydrophobicContact CB-CB 4.24Å; K602-L613 PolarHBondContact N-O 3.33Å; K602-L613 PolarHBondContact O-N 3.49Å
603	C	86.5	Confident	81.9	Confident	36 Å²	36	67.8 Å²	67.8	24%	0.243	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	121.3	175.7	-157.9	0	0	0	0	110.4	C590 V596 C597	C590-C603 WeakPolarHBondContact CA-SG 3.42Å; C590-C603 HydrophobicContact CB-CB 3.72Å; C590-C603 WeakPolarHBondContact CB-SG 2.98Å; C590-C603 VanDerWaalsContact SG-C 3.51Å; C590-C603 WeakPolarHBondContact SG-CB 3.43Å; C590-C603 CovalentContact SG-SG 2.02Å; C590-C603 PolarHBondContact SG-SG 3.18Å; V596-C603 VanDerWaalsContact CG1-SG 3.53Å; C597-C603 HydrophobicContact CB-CB 4.44Å; C597-C603 WeakPolarHBondContact SG-CA 3.36Å; C597-C603 WeakPolarHBondContact SG-CB 3.39Å
604	L	80.2	Confident	82.5	Confident	51 Å²	51	63.1 Å²	63.1	27%	0.267	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	119.1	169.2	-59.8	-176.1	0	0	0	108.4	K602 F610 T611 L613	K602-L604 HydrophobicContact CD-CD2 4.33Å; K602-L604 HydrophobicContact CG-CD2 4.34Å; K602-L604 PolarHBondContact O-N 3.47Å; L604-F610 CarbonylContact O-C 3.58Å; L604-F610 WeakPolarHBondContact O-CA 3.45Å; L604-T611 PolarHBondContact N-O 2.97Å; L604-T611 PolarHBondContact O-N 2.81Å; L604-L613 HydrophobicContact CD1-CD1 3.76Å; L604-L613 HydrophobicContact CD1-CD2 3.85Å; L604-L613 HydrophobicContact CD1-CG 3.71Å; L604-L613 HydrophobicContact CD2-CD1 4.47Å; L604-L613 HydrophobicContact CG-CD1 4.16Å; L604-L613 HydrophobicContact CG-CG 3.97Å
605	Q	76.3	Confident	82.9	Confident	74 Å²	74	58.1 Å²	58.1	35%	0.346	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	128.6	170.9	-169.8	62.8	52.5	0	0	108.8	G587 C590 G609	G587-Q605 PolarHBondContact O-NE2 3.45Å; C590-Q605 HydrophobicContact CB-CB 4.12Å; C590-Q605 PolarHBondContact SG-N 3.24Å; Q605-G609 PolarHBondContact NE2-O 3.12Å
606	D	65.1	Low	83	Confident	76 Å²	76	57 Å²	57	41%	0.406	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	179.2	169.3	73.4	31.8	0	0	0	111.2	K608 G609	D606-K608 PolarHBondContact O-N 3.27Å; D606-K608 VanDerWaalsContact OD1-C 3.31Å; D606-K608 VanDerWaalsContact OD1-CA 3.25Å; D606-K608 WeakPolarHBondContact OD1-CA 3.41Å; D606-K608 WeakPolarHBondContact OD1-CB 3.49Å; D606-K608 PolarHBondContact OD1-N 3.05Å; D606-G609 PolarHBondContact N-O 2.81Å; D606-G609 PolarHBondContact O-N 3.16Å; D606-G609 PolarHBondContact OD1-N 3.06Å; D606-G609 VanDerWaalsContact OD1-O 3.05Å
607	L	60.5	Low	83	Confident	104 Å²	104	56.2 Å²	56.2	55%	0.545	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-18.2	-179.1	-64.5	178.2	0	0	0	113.3	W487	W487-L607 HydrophobicContact CB-CD1 4.45Å; W487-L607 HydrophobicContact CB-CD2 3.93Å; W487-L607 VanDerWaalsContact CD1-CB 3.48Å; W487-L607 VanDerWaalsContact CD1-CD2 3.43Å; W487-L607 VanDerWaalsContact CD1-O 3.22Å; W487-L607 HydrophobicContact CD2-CD2 3.93Å; W487-L607 HydrophobicContact CG-CB 4.3Å; W487-L607 HydrophobicContact CG-CD2 3.47Å; W487-L607 VanDerWaalsContact CG-CD2 3.47Å; W487-L607 HydrophobicContact CG-CG 4.31Å; W487-L607 PolarHBondContact NE1-O 2.96Å
608	K	62.7	Low	83	Confident	203 Å²	203	58 Å²	58	88%	0.883	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.8	-9.2	-178	-63.7	-174.8	177.9	-174.6	0	113.4	D606	D606-K608 PolarHBondContact O-N 3.27Å; D606-K608 VanDerWaalsContact OD1-C 3.31Å; D606-K608 VanDerWaalsContact OD1-CA 3.25Å; D606-K608 WeakPolarHBondContact OD1-CA 3.41Å; D606-K608 WeakPolarHBondContact OD1-CB 3.49Å; D606-K608 PolarHBondContact OD1-N 3.05Å
609	G	70.3	Confident	82.8	Confident	12 Å²	12	57.5 Å²	57.5	12%	0.124	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	149.6	-154	-179.8	0	0	0	0	0	112.4	G587 Q605 D606	G587-G609 CarbonylContact O-C 3.52Å; G587-G609 VanDerWaalsContact O-CA 3.26Å; G587-G609 WeakPolarHBondContact O-CA 3.33Å; Q605-G609 PolarHBondContact NE2-O 3.12Å; D606-G609 PolarHBondContact N-O 2.81Å; D606-G609 PolarHBondContact O-N 3.16Å; D606-G609 PolarHBondContact OD1-N 3.06Å; D606-G609 VanDerWaalsContact OD1-O 3.05Å
610	F	79.3	Confident	82.7	Confident	21 Å²	21	55.9 Å²	55.9	9%	0.092	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	148	169.8	78.3	-72.7	0	0	0	112.2	E589 V596 L604 K621 N622	E589-F610 HydrophobicContact CB-CB 4.19Å; E589-F610 HydrophobicContact CB-CD1 3.62Å; E589-F610 HydrophobicContact CB-CD2 4.34Å; E589-F610 HydrophobicContact CB-CE1 3.9Å; E589-F610 HydrophobicContact CB-CG 3.79Å; E589-F610 HydrophobicContact CB-CZ 4.42Å; E589-F610 VanDerWaalsContact CD-CE1 3.43Å; E589-F610 HydrophobicContact CG-CD1 3.62Å; E589-F610 HydrophobicContact CG-CE1 3.63Å; E589-F610 HydrophobicContact CG-CG 4.32Å; E589-F610 HydrophobicContact CG-CZ 4.43Å; E589-F610 WeakPolarHBondContact OE2-CD1 3.42Å; V596-F610 HydrophobicContact CB-CD2 4.49Å; V596-F610 HydrophobicContact CB-CE2 4.13Å; V596-F610 HydrophobicContact CB-CZ 4.46Å; V596-F610 HydrophobicContact CG1-CD2 3.48Å; V596-F610 VanDerWaalsContact CG1-CD2 3.48Å; V596-F610 HydrophobicContact CG1-CE2 3.55Å; V596-F610 HydrophobicContact CG1-CG 4.19Å; V596-F610 HydrophobicContact CG1-CZ 4.26Å; V596-F610 HydrophobicContact CG2-CD2 4.19Å; V596-F610 HydrophobicContact CG2-CE1 4.2Å; V596-F610 HydrophobicContact CG2-CE2 3.42Å; V596-F610 VanDerWaalsContact CG2-CE2 3.42Å; V596-F610 HydrophobicContact CG2-CZ 3.39Å; L604-F610 CarbonylContact O-C 3.58Å; L604-F610 WeakPolarHBondContact O-CA 3.45Å; F610-K621 HydrophobicContact CE2-CG 4.49Å; F610-K621 HydrophobicContact CZ-CD 4.31Å; F610-K621 HydrophobicContact CZ-CG 4.24Å; F610-N622 WeakPolarHBondContact CZ-OD1 3.3Å
611	T	82.2	Confident	82.6	Confident	57 Å²	57	55.4 Å²	55.4	35%	0.35	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	127.2	165.5	-61.4	0	0	0	0	108.9	L604	L604-T611 PolarHBondContact N-O 2.97Å; L604-T611 PolarHBondContact O-N 2.81Å
612	C	88.3	Confident	82.7	Confident	7 Å²	7	57.4 Å²	57.4	5%	0.047	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	120.7	171.1	-65	0	0	0	0	110.7	C597 C614 K621 C623	C597-C612 WeakPolarHBondContact CA-SG 3.04Å; C597-C612 HydrophobicContact CB-CB 3.75Å; C597-C612 WeakPolarHBondContact CB-SG 3.3Å; C597-C612 WeakPolarHBondContact SG-CA 3.49Å; C597-C612 WeakPolarHBondContact SG-CB 3.48Å; C597-C612 CovalentContact SG-SG 2.02Å; C597-C612 PolarHBondContact SG-SG 3.37Å; C612-C614 PolarHBondContact O-N 2.72Å; C612-K621 VanDerWaalsContact CB-O 3.3Å; C612-K621 WeakPolarHBondContact CB-O 3.4Å; C612-K621 PolarHBondContact SG-O 2.98Å; C612-C623 WeakPolarHBondContact CB-SG 3.22Å
613	L	88.5	Confident	83	Confident	13 Å²	13	51.8 Å²	51.8	7%	0.068	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	107.5	163.5	-57.3	-172.1	0	0	0	108.6	G601 K602 L604 N640 D877	G601-L613 WeakPolarHBondContact CA-O 3.41Å; K602-L613 HydrophobicContact CB-CB 4.24Å; K602-L613 PolarHBondContact N-O 3.33Å; K602-L613 PolarHBondContact O-N 3.49Å; L604-L613 HydrophobicContact CD1-CD1 3.76Å; L604-L613 HydrophobicContact CD1-CD2 3.85Å; L604-L613 HydrophobicContact CD1-CG 3.71Å; L604-L613 HydrophobicContact CD2-CD1 4.47Å; L604-L613 HydrophobicContact CG-CD1 4.16Å; L604-L613 HydrophobicContact CG-CG 3.97Å; L613-N640 HydrophobicContact CD1-CB 4.21Å; L613-N640 HydrophobicContact CD2-CB 3.38Å; L613-N640 HydrophobicContact CG-CB 4.44Å; L613-D877 HydrophobicContact CD2-CB 4.41Å
614	C	91.1	Very high	83.4	Confident	1 Å²	1	57.7 Å²	57.7	1%	0.007	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-77.6	135	-177.9	-58.4	0	0	0	0	111.3	C612 F618 G620 C623 N876 D877	C612-C614 PolarHBondContact O-N 2.72Å; C614-F618 HydrophobicContact CB-CB 4.34Å; C614-F618 VanDerWaalsContact CB-O 3.26Å; C614-F618 WeakPolarHBondContact CB-O 3.25Å; C614-G620 PolarHBondContact SG-O 2.81Å; C614-C623 WeakPolarHBondContact CA-SG 3.5Å; C614-C623 HydrophobicContact CB-CB 3.7Å; C614-C623 WeakPolarHBondContact CB-SG 3.32Å; C614-C623 WeakPolarHBondContact SG-CA 3.36Å; C614-C623 WeakPolarHBondContact SG-CB 3.34Å; C614-C623 CovalentContact SG-SG 2.04Å; C614-C623 PolarHBondContact SG-SG 3.23Å; C614-N876 CarbonylContact O-C 3.56Å; C614-N876 VanDerWaalsContact O-CA 3.25Å; C614-N876 WeakPolarHBondContact O-CA 3.37Å; C614-D877 PolarHBondContact O-N 2.83Å
615	P	90.6	Very high	84	Confident	29 Å²	29	60.4 Å²	60.4	19%	0.188	31%	0.307	C	S	.	.	B	Isolated β-bridge	trans	-69.1	163.6	173.9	26.2	-23.2	0	0	0	109.6	N599 G617 F618	N599-P615 WeakPolarHBondContact O-CG 3.45Å; P615-G617 PolarHBondContact O-N 2.84Å; P615-F618 HydrophobicContact CG-CD2 3.99Å; P615-F618 PolarHBondContact O-N 2.83Å; P615-F618 VanDerWaalsContact O-N 3.1Å
616	L	87.2	Confident	84.7	Confident	48 Å²	48	65 Å²	65	25%	0.251	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.9	128.8	177.2	-175.9	75	0	0	0	112.3	V872 G875 I878	L616-V872 HydrophobicContact CD1-CG2 3.5Å; L616-V872 HydrophobicContact CD2-CG2 3.27Å; L616-V872 HydrophobicContact CG-CG2 3.92Å; L616-G875 PolarHBondContact N-O 2.8Å; L616-I878 HydrophobicContact CD1-CD1 3.26Å; L616-I878 HydrophobicContact CD1-CG1 3.92Å
617	G	88.4	Confident	85.8	Confident	15 Å²	15	62.2 Å²	62.2	16%	0.155	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	90.7	3.7	176.8	0	0	0	0	0	114.1	P615 K626 I627	P615-G617 PolarHBondContact O-N 2.84Å; G617-K626 CarbonylContact O-C 3.57Å; G617-K626 WeakPolarHBondContact O-CA 3.01Å; G617-I627 PolarHBondContact O-N 2.89Å
618	F	91.7	Very high	87	Confident	41 Å²	41	61.9 Å²	61.9	18%	0.18	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	150.9	174.3	-62.5	-86	0	0	0	112.5	N599 C614 P615 C623 E625 K626	N599-F618 HydrophobicContact CB-CD1 3.71Å; N599-F618 HydrophobicContact CB-CD2 3.95Å; N599-F618 HydrophobicContact CB-CE1 3.6Å; N599-F618 HydrophobicContact CB-CE2 3.84Å; N599-F618 HydrophobicContact CB-CG 3.87Å; N599-F618 HydrophobicContact CB-CZ 3.66Å; N599-F618 WeakPolarHBondContact ND2-CD1 3.39Å; N599-F618 WeakPolarHBondContact ND2-CE1 3.46Å; N599-F618 WeakPolarHBondContact OD1-CE1 3.11Å; C614-F618 HydrophobicContact CB-CB 4.34Å; C614-F618 VanDerWaalsContact CB-O 3.26Å; C614-F618 WeakPolarHBondContact CB-O 3.25Å; P615-F618 HydrophobicContact CG-CD2 3.99Å; P615-F618 PolarHBondContact O-N 2.83Å; P615-F618 VanDerWaalsContact O-N 3.1Å; F618-C623 HydrophobicContact CB-CB 4.29Å; F618-E625 CarbonylContact C-O 3.6Å; F618-E625 WeakPolarHBondContact CA-O 3.15Å; F618-K626 HydrophobicContact CD1-CG 3.98Å; F618-K626 HydrophobicContact CE1-CD 4.37Å; F618-K626 HydrophobicContact CE1-CG 3.56Å; F618-K626 HydrophobicContact CZ-CG 4.33Å
619	Q	90.2	Very high	88	Confident	54 Å²	54	53 Å²	53	25%	0.252	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	178.1	177.5	69	175.7	26.5	0	0	113	C623 K624 E625 I627 T879	Q619-C623 CarbonylContact O-C 3.44Å; Q619-C623 VanDerWaalsContact O-CA 3.32Å; Q619-C623 WeakPolarHBondContact O-CA 3.24Å; Q619-K624 PolarHBondContact O-N 2.98Å; Q619-E625 HydrophobicContact CG-CB 3.75Å; Q619-E625 PolarHBondContact N-O 3.48Å; Q619-E625 PolarHBondContact NE2-OE2 2.74Å; Q619-E625 PolarHBondContact O-N 3.26Å; Q619-I627 HydrophobicContact CB-CD1 3.96Å; Q619-I627 HydrophobicContact CB-CG1 3.95Å; Q619-I627 HydrophobicContact CG-CD1 4.43Å; Q619-I627 HydrophobicContact CG-CG1 3.87Å; Q619-T879 HydrophobicContact CB-CG2 3.94Å
620	G	89.3	Confident	88.4	Confident	38 Å²	38	60.4 Å²	60.4	39%	0.392	30%	0.301	S	S	.	.	S	Bend	trans	92.3	167.2	-179.7	0	0	0	0	0	112	C614 N622 C623	C614-G620 PolarHBondContact SG-O 2.81Å; G620-N622 PolarHBondContact O-N 2.94Å; G620-C623 PolarHBondContact O-N 3Å
621	K	88.9	Confident	88	Confident	152 Å²	152	63.2 Å²	63.2	66%	0.661	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.7	-33.8	-174.7	-170.6	-178.3	177.9	-174.8	0	113.7	F610 C612	F610-K621 HydrophobicContact CE2-CG 4.49Å; F610-K621 HydrophobicContact CZ-CD 4.31Å; F610-K621 HydrophobicContact CZ-CG 4.24Å; C612-K621 VanDerWaalsContact CB-O 3.3Å; C612-K621 WeakPolarHBondContact CB-O 3.4Å; C612-K621 PolarHBondContact SG-O 2.98Å
622	N	92.6	Very high	87.9	Confident	56 Å²	56	63.4 Å²	63.4	30%	0.299	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117	13.6	-176.3	-64.6	15.1	0	0	0	112.8	V596 L598 F610 G620 K624	V596-N622 VanDerWaalsContact O-CB 3.3Å; V596-N622 WeakPolarHBondContact O-CB 3.3Å; L598-N622 WeakPolarHBondContact CB-O 3.13Å; L598-N622 PolarHBondContact N-O 3.13Å; F610-N622 WeakPolarHBondContact CZ-OD1 3.3Å; G620-N622 PolarHBondContact O-N 2.94Å; N622-K624 PolarHBondContact O-N 2.04Å
623	C	93.9	Very high	87.4	Confident	0 Å²	0	66.3 Å²	66.3	0%	0	35%	0.346	C	S	.	.	S	Bend	trans	58.5	30.8	-178.3	-47.8	0	0	0	0	114.9	L598 N599 C612 C614 F618 Q619 G620	L598-C623 WeakPolarHBondContact O-CB 3.38Å; N599-C623 PolarHBondContact ND2-O 3.42Å; C612-C623 WeakPolarHBondContact CB-SG 3.22Å; C614-C623 WeakPolarHBondContact CA-SG 3.5Å; C614-C623 HydrophobicContact CB-CB 3.7Å; C614-C623 WeakPolarHBondContact CB-SG 3.32Å; C614-C623 WeakPolarHBondContact SG-CA 3.36Å; C614-C623 WeakPolarHBondContact SG-CB 3.34Å; C614-C623 CovalentContact SG-SG 2.04Å; C614-C623 PolarHBondContact SG-SG 3.23Å; F618-C623 HydrophobicContact CB-CB 4.29Å; Q619-C623 CarbonylContact O-C 3.44Å; Q619-C623 VanDerWaalsContact O-CA 3.32Å; Q619-C623 WeakPolarHBondContact O-CA 3.24Å; G620-C623 PolarHBondContact O-N 3Å
624	K	95.1	Very high	87.4	Confident	159 Å²	159	67.1 Å²	67.1	69%	0.691	35%	0.352	S	S	*	.			trans	-79.2	-36.3	-176	-172.2	175.8	178	-179.4	0	112.9	L598 Q619 N622	L598-K624 HydrophobicContact CD1-CB 3.98Å; L598-K624 HydrophobicContact CD1-CD 4.33Å; L598-K624 HydrophobicContact CD1-CG 3.96Å; Q619-K624 PolarHBondContact O-N 2.98Å; N622-K624 PolarHBondContact O-N 2.04Å
625	E	92.8	Very high	87.5	Confident	109 Å²	109	67.1 Å²	67.1	51%	0.509	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	135.7	-170	-64.6	172.1	-167.4	0	0	110.9	F618 Q619	F618-E625 CarbonylContact C-O 3.6Å; F618-E625 WeakPolarHBondContact CA-O 3.15Å; Q619-E625 HydrophobicContact CG-CB 3.75Å; Q619-E625 PolarHBondContact N-O 3.48Å; Q619-E625 PolarHBondContact NE2-OE2 2.74Å; Q619-E625 PolarHBondContact O-N 3.26Å
626	K	91.1	Very high	87.5	Confident	171 Å²	171	66.6 Å²	66.6	74%	0.743	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.2	134	174.2	-74.3	-176.7	178.7	-179.1	0	111.2	G617 F618	G617-K626 CarbonylContact O-C 3.57Å; G617-K626 WeakPolarHBondContact O-CA 3.01Å; F618-K626 HydrophobicContact CD1-CG 3.98Å; F618-K626 HydrophobicContact CE1-CD 4.37Å; F618-K626 HydrophobicContact CE1-CG 3.56Å; F618-K626 HydrophobicContact CZ-CG 4.33Å
627	I	87.7	Confident	87.7	Confident	17 Å²	17	64.6 Å²	64.6	9%	0.087	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-90.2	122.8	169.5	-55.4	163.8	0	0	0	108.8	G617 Q619 W629 I878	G617-I627 PolarHBondContact O-N 2.89Å; Q619-I627 HydrophobicContact CB-CD1 3.96Å; Q619-I627 HydrophobicContact CB-CG1 3.95Å; Q619-I627 HydrophobicContact CG-CD1 4.43Å; Q619-I627 HydrophobicContact CG-CG1 3.87Å; I627-W629 HydrophobicContact CD1-CZ2 3.85Å; I627-W629 HydrophobicContact CG2-CD2 3.85Å; I627-W629 HydrophobicContact CG2-CE3 4.47Å; I627-W629 HydrophobicContact CG2-CG 4.14Å; I627-W629 HydrophobicContact CG2-CH2 4.49Å; I627-W629 HydrophobicContact CG2-CZ2 3.88Å; I627-W629 PolarHBondContact O-N 3.17Å; I627-I878 WeakPolarHBondContact CD1-O 3.49Å
628	N	86.3	Confident	87.6	Confident	96 Å²	96	64.8 Å²	64.8	51%	0.513	34%	0.342	S	S	.	.			trans	-82.2	109.5	165.1	-173.1	-0.6	0	0	0	109.9	Q630 K632	N628-Q630 VanDerWaalsContact OD1-CB 3.3Å; N628-Q630 WeakPolarHBondContact OD1-CB 3.11Å; N628-Q630 WeakPolarHBondContact OD1-CG 3.4Å; N628-Q630 PolarHBondContact OD1-N 3.27Å; N628-K632 VanDerWaalsContact O-CD 3.25Å; N628-K632 WeakPolarHBondContact O-CD 3.46Å; N628-K632 WeakPolarHBondContact O-CE 3.23Å; N628-K632 PolarHBondContact O-NZ 3.16Å
629	W	83.5	Confident	87	Confident	18 Å²	18	66.5 Å²	66.5	7%	0.068	35%	0.35	C	S	.	.			trans	-88.5	-4.5	177.2	-71.4	110.3	0	0	0	114.4	I627 G631 K632 A635 S868 F869 I878	I627-W629 HydrophobicContact CD1-CZ2 3.85Å; I627-W629 HydrophobicContact CG2-CD2 3.85Å; I627-W629 HydrophobicContact CG2-CE3 4.47Å; I627-W629 HydrophobicContact CG2-CG 4.14Å; I627-W629 HydrophobicContact CG2-CH2 4.49Å; I627-W629 HydrophobicContact CG2-CZ2 3.88Å; I627-W629 PolarHBondContact O-N 3.17Å; W629-G631 PolarHBondContact O-N 3.43Å; W629-G631 VanDerWaalsContact O-N 3.13Å; W629-K632 HydrophobicContact CE3-CB 4.1Å; W629-K632 PolarHBondContact O-N 3.33Å; W629-A635 HydrophobicContact CH2-CB 3.76Å; W629-A635 HydrophobicContact CZ3-CB 4.01Å; W629-S868 PolarHBondContact O-OG 3.24Å; W629-F869 HydrophobicContact CD2-CB 4.3Å; W629-F869 HydrophobicContact CE3-CB 3.82Å; W629-F869 HydrophobicContact CH2-CB 4.25Å; W629-F869 HydrophobicContact CZ3-CB 3.8Å; W629-F869 HydrophobicContact CZ3-CD2 4.33Å; W629-F869 HydrophobicContact CZ3-CG 4.46Å; W629-I878 HydrophobicContact CH2-CD1 4.06Å; W629-I878 HydrophobicContact CH2-CG1 4.4Å; W629-I878 HydrophobicContact CZ2-CB 4.39Å; W629-I878 HydrophobicContact CZ2-CD1 3.63Å; W629-I878 HydrophobicContact CZ2-CG1 3.83Å
630	Q	77.1	Confident	86.6	Confident	166 Å²	166	66.9 Å²	66.9	78%	0.776	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	122	-179.1	-73.8	-173.4	-25.8	0	0	111.2	N628 K632	N628-Q630 VanDerWaalsContact OD1-CB 3.3Å; N628-Q630 WeakPolarHBondContact OD1-CB 3.11Å; N628-Q630 WeakPolarHBondContact OD1-CG 3.4Å; N628-Q630 PolarHBondContact OD1-N 3.27Å; Q630-K632 PolarHBondContact O-N 3.13Å
631	G	71.9	Confident	86.6	Confident	81 Å²	81	65 Å²	65	84%	0.835	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.4	-1.8	-179.5	0	0	0	0	0	115.5	W629	W629-G631 PolarHBondContact O-N 3.43Å; W629-G631 VanDerWaalsContact O-N 3.13Å
632	K	78.9	Confident	86.8	Confident	61 Å²	61	58.4 Å²	58.4	27%	0.265	31%	0.306	S	S	.	.			trans	-90.7	128.6	-178.8	-62.5	-172.8	-171.8	168.9	0	111.2	N628 W629 Q630 S868 Q880	N628-K632 VanDerWaalsContact O-CD 3.25Å; N628-K632 WeakPolarHBondContact O-CD 3.46Å; N628-K632 WeakPolarHBondContact O-CE 3.23Å; N628-K632 PolarHBondContact O-NZ 3.16Å; W629-K632 HydrophobicContact CE3-CB 4.1Å; W629-K632 PolarHBondContact O-N 3.33Å; Q630-K632 PolarHBondContact O-N 3.13Å; K632-S868 PolarHBondContact O-OG 3.37Å; K632-Q880 HydrophobicContact CD-CG 4.49Å
633	Q	78.8	Confident	86.7	Confident	68 Å²	68	55.7 Å²	55.7	32%	0.318	29%	0.292	S	S	.	.			trans	-113.4	-2.8	174.5	-63.7	-179.7	7.8	0	0	112.7	K858 F869	Q633-K858 CarbonylContact C-O 3.53Å; Q633-K858 CarbonylContact O-C 3.35Å; Q633-K858 VanDerWaalsContact O-C 3.31Å; Q633-K858 VanDerWaalsContact O-O 3.06Å; Q633-F869 WeakPolarHBondContact O-CE2 2.91Å
634	S	89.1	Confident	86.6	Confident	30 Å²	30	57.8 Å²	57.8	21%	0.21	30%	0.301	C	S	.	.			trans	-105	122.5	-177	-171.6	0	0	0	0	111	I857 C881	S634-I857 CarbonylContact C-O 3.32Å; S634-I857 VanDerWaalsContact CA-O 3.27Å; S634-I857 WeakPolarHBondContact CA-O 3.3Å; S634-C881 WeakPolarHBondContact OG-CB 3.42Å
635	A	91.9	Very high	86.3	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	145.6	177	0	0	0	0	0	112	W629 F637 C856 I857 F869 T879	W629-A635 HydrophobicContact CH2-CB 3.76Å; W629-A635 HydrophobicContact CZ3-CB 4.01Å; A635-F637 HydrophobicContact CB-CE2 3.85Å; A635-F637 HydrophobicContact CB-CZ 4.36Å; A635-C856 CarbonylContact O-C 3.51Å; A635-C856 WeakPolarHBondContact O-CA 3.23Å; A635-I857 PolarHBondContact N-O 3.41Å; A635-I857 PolarHBondContact O-N 2.9Å; A635-F869 HydrophobicContact CB-CD1 4.38Å; A635-F869 HydrophobicContact CB-CD2 3.34Å; A635-F869 HydrophobicContact CB-CE1 4.46Å; A635-F869 HydrophobicContact CB-CE2 3.42Å; A635-F869 VanDerWaalsContact CB-CE2 3.42Å; A635-F869 HydrophobicContact CB-CG 3.85Å; A635-F869 HydrophobicContact CB-CZ 4.02Å; A635-T879 CarbonylContact C-O 3.49Å; A635-T879 WeakPolarHBondContact CA-O 3.25Å
636	A	91.6	Very high	86	Confident	19 Å²	19	46.9 Å²	46.9	16%	0.157	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	141.4	169.6	0	0	0	0	0	109.8	G855 I878 T879 C881	A636-G855 WeakPolarHBondContact CA-O 3.26Å; A636-I878 WeakPolarHBondContact O-CA 3.11Å; A636-T879 PolarHBondContact N-O 3.28Å; A636-T879 PolarHBondContact O-N 3.37Å; A636-C881 HydrophobicContact CB-CB 3.94Å
637	F	91.5	Very high	85.4	Confident	6 Å²	6	41.2 Å²	41.2	3%	0.026	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	137.2	-178.6	-66.3	-100.7	0	0	0	109	A635 V643 F853 N854 G855 I857 F869 I878	A635-F637 HydrophobicContact CB-CE2 3.85Å; A635-F637 HydrophobicContact CB-CZ 4.36Å; F637-V643 HydrophobicContact CE1-CG1 4.21Å; F637-V643 HydrophobicContact CE1-CG2 4.37Å; F637-V643 HydrophobicContact CZ-CG1 4.41Å; F637-V643 HydrophobicContact CZ-CG2 4.38Å; F637-F853 CarbonylContact C-O 3.45Å; F637-F853 HydrophobicContact CB-CD1 3.65Å; F637-F853 HydrophobicContact CB-CE1 4.06Å; F637-F853 VanDerWaalsContact CB-O 3.31Å; F637-F853 WeakPolarHBondContact CB-O 3.47Å; F637-F853 HydrophobicContact CD2-CD1 4.2Å; F637-F853 HydrophobicContact CD2-CE1 4.08Å; F637-F853 AromaticContact CG-CD1 3.98Å; F637-F853 HydrophobicContact CG-CD1 3.98Å; F637-F853 HydrophobicContact CG-CE1 4.3Å; F637-N854 WeakPolarHBondContact O-CA 2.8Å; F637-G855 PolarHBondContact N-O 2.85Å; F637-G855 PolarHBondContact O-N 3.02Å; F637-I857 HydrophobicContact CD2-CD1 4.11Å; F637-I857 HydrophobicContact CD2-CG1 4.08Å; F637-I857 HydrophobicContact CE2-CB 4Å; F637-I857 HydrophobicContact CE2-CD1 3.58Å; F637-I857 HydrophobicContact CE2-CG1 3.77Å; F637-I857 HydrophobicContact CZ-CD1 3.99Å; F637-F869 HydrophobicContact CE2-CE1 4.28Å; F637-F869 HydrophobicContact CE2-CZ 4.08Å; F637-F869 HydrophobicContact CZ-CD1 4.46Å; F637-F869 AromaticContact CZ-CE1 3.78Å; F637-F869 HydrophobicContact CZ-CE1 3.78Å; F637-F869 HydrophobicContact CZ-CZ 4.05Å; F637-I878 HydrophobicContact CD1-CG2 3.75Å; F637-I878 HydrophobicContact CE1-CG2 3.54Å; F637-I878 HydrophobicContact CG-CG2 4.41Å; F637-I878 HydrophobicContact CZ-CG2 4.04Å
638	G	85.3	Confident	84.8	Confident	19 Å²	19	47.2 Å²	47.2	20%	0.196	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	-173.1	172	0	0	0	0	0	112.2	N640 S641	G638-N640 PolarHBondContact O-N 3.49Å; G638-S641 WeakPolarHBondContact CA-OG 3.49Å; G638-S641 PolarHBondContact N-OG 3.29Å; G638-S641 PolarHBondContact O-N 3.36Å; G638-S641 PolarHBondContact O-OG 3.5Å
639	E	79.9	Confident	84.1	Confident	77 Å²	77	44.4 Å²	44.4	36%	0.36	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	-17.1	-170.1	-55.8	-166.2	150.5	0	0	115.1	K851 N852	E639-K851 HydrophobicContact CB-CD 4.34Å; E639-K851 HydrophobicContact CG-CD 4.25Å; E639-K851 IonicContact OE1-NZ 2.8Å; E639-K851 PolarHBondContact OE1-NZ 3.47Å; E639-K851 WeakPolarHBondContact OE2-CE 3.45Å; E639-K851 IonicContact OE2-NZ 2.7Å; E639-K851 PolarHBondContact OE2-NZ 2.86Å; E639-N852 VanDerWaalsContact O-CB 3.29Å; E639-N852 WeakPolarHBondContact O-CB 3.01Å; E639-N852 PolarHBondContact O-N 2.9Å
640	N	82.5	Confident	83.6	Confident	61 Å²	61	43.9 Å²	43.9	33%	0.326	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	0.8	179.9	-63.8	-43.3	0	0	0	113.2	L613 G638 N852	L613-N640 HydrophobicContact CD1-CB 4.21Å; L613-N640 HydrophobicContact CD2-CB 3.38Å; L613-N640 HydrophobicContact CG-CB 4.44Å; G638-N640 PolarHBondContact O-N 3.49Å; N640-N852 VanDerWaalsContact C-ND2 3.34Å; N640-N852 PolarHBondContact O-ND2 2.98Å
641	S	89	Confident	83.1	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	145.1	-172	-47.9	0	0	0	0	111.6	G638 G818 N852 N876 D877	G638-S641 WeakPolarHBondContact CA-OG 3.49Å; G638-S641 PolarHBondContact N-OG 3.29Å; G638-S641 PolarHBondContact O-N 3.36Å; G638-S641 PolarHBondContact O-OG 3.5Å; S641-G818 CarbonylContact O-C 3.59Å; S641-G818 VanDerWaalsContact O-O 3.08Å; S641-N852 VanDerWaalsContact O-CB 3.27Å; S641-N852 WeakPolarHBondContact O-CB 3.48Å; S641-N852 PolarHBondContact O-ND2 2.92Å; S641-N876 WeakPolarHBondContact CA-O 3.3Å; S641-N876 WeakPolarHBondContact CB-O 3.18Å; S641-D877 VanDerWaalsContact CB-O 3.32Å; S641-D877 WeakPolarHBondContact CB-O 3.34Å; S641-D877 PolarHBondContact OG-O 3Å
642	F	92.1	Very high	82.9	Confident	12 Å²	12	40.1 Å²	40.1	5%	0.053	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	157.9	168.9	68.9	-88.3	0	0	0	109.7	K644 F816 P821 G875 N876	F642-K644 HydrophobicContact CE2-CB 4.43Å; F642-F816 AromaticContact CD2-CD1 3.9Å; F642-F816 HydrophobicContact CD2-CD1 3.9Å; F642-F816 HydrophobicContact CD2-CE1 4.3Å; F642-F816 HydrophobicContact CE2-CD1 4.37Å; F642-F816 HydrophobicContact CE2-CE1 4.32Å; F642-P821 HydrophobicContact CE1-CB 4.07Å; F642-P821 HydrophobicContact CZ-CB 4.05Å; F642-G875 CarbonylContact O-C 3.54Å; F642-G875 WeakPolarHBondContact O-CA 3.25Å; F642-N876 HydrophobicContact CD1-CB 4.41Å; F642-N876 HydrophobicContact CE1-CB 4.03Å; F642-N876 PolarHBondContact N-O 3.41Å; F642-N876 VanDerWaalsContact N-O 3.15Å; F642-N876 PolarHBondContact O-N 2.83Å
643	V	91.6	Very high	82.3	Confident	0 Å²	0	47 Å²	47	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	142.3	163.7	-62.8	0	0	0	0	110	F637 F645 F816 I817 F869 V872 I878	F637-V643 HydrophobicContact CE1-CG1 4.21Å; F637-V643 HydrophobicContact CE1-CG2 4.37Å; F637-V643 HydrophobicContact CZ-CG1 4.41Å; F637-V643 HydrophobicContact CZ-CG2 4.38Å; V643-F645 HydrophobicContact CG2-CE2 3.81Å; V643-F645 HydrophobicContact CG2-CZ 4.44Å; V643-F816 CarbonylContact O-C 3.54Å; V643-F816 WeakPolarHBondContact O-CA 3.41Å; V643-I817 HydrophobicContact CG2-CB 3.69Å; V643-I817 HydrophobicContact CG2-CG2 4.43Å; V643-I817 PolarHBondContact N-O 2.72Å; V643-I817 PolarHBondContact O-N 3.42Å; V643-F869 HydrophobicContact CG1-CD1 4.14Å; V643-F869 HydrophobicContact CG2-CD1 4.15Å; V643-F869 HydrophobicContact CG2-CE1 4.05Å; V643-V872 HydrophobicContact CB-CB 4.3Å; V643-V872 HydrophobicContact CB-CG1 3.94Å; V643-V872 HydrophobicContact CB-CG2 4.39Å; V643-V872 HydrophobicContact CG1-CG1 4.26Å; V643-V872 HydrophobicContact CG1-CG2 4.39Å; V643-V872 HydrophobicContact CG2-CG1 4.39Å; V643-I878 HydrophobicContact CG1-CD1 3.48Å; V643-I878 VanDerWaalsContact CG1-CD1 3.48Å; V643-I878 HydrophobicContact CG1-CG1 4.32Å; V643-I878 HydrophobicContact CG1-CG2 3.9Å
644	K	91.5	Very high	81.6	Confident	44 Å²	44	48.7 Å²	48.7	19%	0.191	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	126	179.8	180	-171.9	-179.8	-176.1	0	109.7	F642 L815 F816 A873 D874	F642-K644 HydrophobicContact CE2-CB 4.43Å; K644-L815 CarbonylContact C-O 3.59Å; K644-L815 WeakPolarHBondContact CA-O 3.05Å; K644-F816 HydrophobicContact CB-CD1 3.83Å; K644-F816 HydrophobicContact CB-CE1 3.73Å; K644-F816 HydrophobicContact CD-CE1 3.75Å; K644-F816 HydrophobicContact CD-CZ 3.9Å; K644-F816 HydrophobicContact CG-CD1 4.07Å; K644-F816 HydrophobicContact CG-CE1 3.62Å; K644-F816 HydrophobicContact CG-CZ 3.91Å; K644-A873 WeakPolarHBondContact O-CB 3.44Å; K644-A873 PolarHBondContact O-N 2.81Å; K644-D874 HydrophobicContact CB-CB 4.09Å; K644-D874 HydrophobicContact CD-CB 4.12Å; K644-D874 PolarHBondContact N-O 2.96Å; K644-D874 PolarHBondContact O-N 2.94Å
645	F	88.7	Confident	80.4	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	142.3	166	-58.4	-93.4	0	0	0	109.2	V643 L650 Q814 L815 I817 L860 I862 T867 V872	V643-F645 HydrophobicContact CG2-CE2 3.81Å; V643-F645 HydrophobicContact CG2-CZ 4.44Å; F645-L650 HydrophobicContact CB-CD2 3.54Å; F645-L650 HydrophobicContact CB-CG 3.89Å; F645-L650 HydrophobicContact CD1-CD2 4.46Å; F645-L650 HydrophobicContact CG-CD2 4.08Å; F645-Q814 WeakPolarHBondContact O-CA 2.91Å; F645-L815 HydrophobicContact CB-CB 4.23Å; F645-L815 HydrophobicContact CD2-CD2 4.26Å; F645-L815 HydrophobicContact CD2-CG 4.38Å; F645-L815 PolarHBondContact N-O 3.22Å; F645-L815 PolarHBondContact O-N 3.13Å; F645-I817 HydrophobicContact CD2-CG1 4.46Å; F645-I817 HydrophobicContact CE2-CG1 4.05Å; F645-L860 HydrophobicContact CE2-CD2 3.82Å; F645-L860 HydrophobicContact CZ-CD2 3.51Å; F645-I862 HydrophobicContact CD1-CD1 4.23Å; F645-I862 HydrophobicContact CD2-CD1 4.36Å; F645-I862 HydrophobicContact CE1-CD1 4.23Å; F645-I862 HydrophobicContact CE2-CD1 4.37Å; F645-I862 HydrophobicContact CG-CD1 4.29Å; F645-I862 HydrophobicContact CZ-CD1 4.3Å; F645-T867 HydrophobicContact CD1-CG2 4.35Å; F645-T867 HydrophobicContact CE1-CG2 3.35Å; F645-T867 HydrophobicContact CZ-CG2 3.73Å; F645-V872 HydrophobicContact CD1-CG1 4.3Å; F645-V872 HydrophobicContact CE1-CB 4.35Å; F645-V872 HydrophobicContact CE1-CG1 3.59Å; F645-V872 HydrophobicContact CE2-CG1 4.14Å; F645-V872 HydrophobicContact CZ-CG1 3.51Å
646	T	85.2	Confident	79.3	Confident	38 Å²	38	55.8 Å²	55.8	23%	0.233	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	167.3	170.5	60.9	0	0	0	0	109.5	N648 S649 L650 A873	T646-N648 PolarHBondContact O-N 3.45Å; T646-S649 WeakPolarHBondContact O-CA 3.47Å; T646-S649 WeakPolarHBondContact O-CB 3.4Å; T646-S649 PolarHBondContact O-N 3.41Å; T646-S649 PolarHBondContact OG1-OG 2.69Å; T646-L650 VanDerWaalsContact O-CG 3.29Å; T646-L650 WeakPolarHBondContact O-CG 3.35Å; T646-L650 PolarHBondContact O-N 3.39Å; T646-A873 HydrophobicContact CG2-CB 3.65Å
647	T	80.3	Confident	78.4	Confident	52 Å²	52	62.8 Å²	62.8	32%	0.319	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.5	-39.2	177.5	-49.2	0	0	0	0	113.2	L650 P812 V813	T647-L650 PolarHBondContact O-N 3.26Å; T647-P812 PolarHBondContact OG1-O 3.18Å; T647-V813 PolarHBondContact N-O 3.22Å; T647-V813 WeakPolarHBondContact OG1-CA 3.11Å; T647-V813 PolarHBondContact OG1-O 2.65Å
648	N	73.8	Confident	78	Confident	143 Å²	143	67.2 Å²	67.2	77%	0.765	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-39.5	176.9	-67.3	-7.7	0	0	0	112.7	T646 L650	T646-N648 PolarHBondContact O-N 3.45Å; N648-L650 VanDerWaalsContact C-N 3.31Å
649	S	71.5	Confident	78	Confident	37 Å²	37	66.7 Å²	66.7	26%	0.259	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-21	177.5	-48.8	0	0	0	0	113	T646 N651	T646-S649 WeakPolarHBondContact O-CA 3.47Å; T646-S649 WeakPolarHBondContact O-CB 3.4Å; T646-S649 PolarHBondContact O-N 3.41Å; T646-S649 PolarHBondContact OG1-OG 2.69Å; S649-N651 VanDerWaalsContact C-N 3.34Å
650	L	73.7	Confident	78.4	Confident	8 Å²	8	66.4 Å²	66.4	4%	0.042	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-4.6	-173.9	-69.8	173.5	0	0	0	114	F645 T646 T647 N648 Y652 Y659 P812 L815 I862	F645-L650 HydrophobicContact CB-CD2 3.54Å; F645-L650 HydrophobicContact CB-CG 3.89Å; F645-L650 HydrophobicContact CD1-CD2 4.46Å; F645-L650 HydrophobicContact CG-CD2 4.08Å; T646-L650 VanDerWaalsContact O-CG 3.29Å; T646-L650 WeakPolarHBondContact O-CG 3.35Å; T646-L650 PolarHBondContact O-N 3.39Å; T647-L650 PolarHBondContact O-N 3.26Å; N648-L650 VanDerWaalsContact C-N 3.31Å; L650-Y652 PolarHBondContact O-N 3.39Å; L650-Y659 WeakPolarHBondContact CD2-OH 3.47Å; L650-P812 HydrophobicContact CD1-CB 3.98Å; L650-P812 HydrophobicContact CD1-CG 4.45Å; L650-L815 HydrophobicContact CD1-CB 4.44Å; L650-L815 HydrophobicContact CD2-CB 4.35Å; L650-L815 HydrophobicContact CD2-CD2 4.15Å; L650-I862 HydrophobicContact CD2-CD1 3.59Å; L650-I862 HydrophobicContact CD2-CG2 3.98Å
651	N	66.5	Low	78.8	Confident	137 Å²	137	63.5 Å²	63.5	73%	0.733	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	40.8	39.7	-175.2	-79	-23.3	0	0	0	112.6	S649 R653	S649-N651 VanDerWaalsContact C-N 3.34Å; N651-R653 PolarHBondContact O-N 3.28Å
652	Y	67.1	Low	79	Confident	30 Å²	30	64 Å²	64	12%	0.118	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-72.2	129	-176.2	172.8	-103.7	0	0	0	109.5	L650 P654 S656 Y659 Q811 P812	L650-Y652 PolarHBondContact O-N 3.39Å; Y652-P654 WeakPolarHBondContact O-CD 3.13Å; Y652-S656 WeakPolarHBondContact CE2-O 2.96Å; Y652-S656 PolarHBondContact OH-N 2.72Å; Y652-S656 PolarHBondContact OH-O 3.25Å; Y652-Y659 HydrophobicContact CD2-CD2 4.34Å; Y652-Q811 HydrophobicContact CE1-CB 4.31Å; Y652-Q811 HydrophobicContact CE1-CG 4.15Å; Y652-P812 HydrophobicContact CD1-CG 4.37Å; Y652-P812 HydrophobicContact CD2-CG 3.81Å; Y652-P812 HydrophobicContact CE2-CG 4.14Å; Y652-P812 HydrophobicContact CG-CG 3.93Å
653	R	66.8	Low	79.1	Confident	205 Å²	205	63.5 Å²	63.5	77%	0.774	32%	0.317	S	S	*	.	P	Polyproline II helix	trans	-69.2	121	169.2	-77.6	-174.2	-178.5	-179.8	1	108.8	N651 N655 S656	N651-R653 PolarHBondContact O-N 3.28Å; R653-N655 PolarHBondContact O-N 3.34Å; R653-S656 WeakPolarHBondContact O-CB 3.38Å; R653-S656 PolarHBondContact O-N 3.43Å
654	P	63.4	Low	79.2	Confident	105 Å²	105	65.3 Å²	65.3	68%	0.682	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.4	134.9	171.3	-23.9	32.9	0	0	0	110.1	Y652 S656	Y652-P654 WeakPolarHBondContact O-CD 3.13Å; P654-S656 VanDerWaalsContact C-N 3.34Å; P654-S656 PolarHBondContact O-N 3.1Å
655	N	63.8	Low	79.3	Confident	134 Å²	134	63.2 Å²	63.2	72%	0.717	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.5	3.3	-177.6	-50.3	-33.9	0	0	0	117.3	R653 R657	R653-N655 PolarHBondContact O-N 3.34Å; N655-R657 PolarHBondContact O-N 2.96Å; N655-R657 VanDerWaalsContact O-N 3.12Å
656	S	69.8	Low	79.5	Confident	44 Å²	44	66.3 Å²	66.3	31%	0.308	33%	0.328	S	S	.	.			trans	-66.4	113.1	173.9	-177.8	0	0	0	0	111.4	Y652 R653 P654 H658	Y652-S656 WeakPolarHBondContact CE2-O 2.96Å; Y652-S656 PolarHBondContact OH-N 2.72Å; Y652-S656 PolarHBondContact OH-O 3.25Å; R653-S656 WeakPolarHBondContact O-CB 3.38Å; R653-S656 PolarHBondContact O-N 3.43Å; P654-S656 VanDerWaalsContact C-N 3.34Å; P654-S656 PolarHBondContact O-N 3.1Å; S656-H658 PolarHBondContact O-N 2.84Å; S656-H658 PolarHBondContact OG-N 2.93Å; S656-H658 PolarHBondContact OG-O 2.78Å
657	R	73.5	Confident	79.7	Confident	167 Å²	167	64.6 Å²	64.6	63%	0.63	32%	0.318	S	S	*	.			trans	-77.5	-1.9	175.1	-60.5	-179.3	-175.1	172.7	0.1	113.6	N655 S787 S788	N655-R657 PolarHBondContact O-N 2.96Å; N655-R657 VanDerWaalsContact O-N 3.12Å; R657-S787 CarbonylContact O-C 3.59Å; R657-S787 VanDerWaalsContact O-C 3.3Å; R657-S788 PolarHBondContact O-N 2.78Å
658	H	81.6	Confident	79.9	Confident	99 Å²	99	63.7 Å²	63.7	46%	0.458	31%	0.314	S	S	.	.			trans	-116	134.8	179.7	-64.5	90.1	0	0	0	110.1	S656 K786	S656-H658 PolarHBondContact O-N 2.84Å; S656-H658 PolarHBondContact OG-N 2.93Å; S656-H658 PolarHBondContact OG-O 2.78Å; H658-K786 CarbonylContact C-O 3.52Å; H658-K786 VanDerWaalsContact CA-O 3.27Å; H658-K786 WeakPolarHBondContact CA-O 3.25Å
659	Y	85.8	Confident	80.1	Confident	7 Å²	7	62 Å²	62	3%	0.027	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	134.4	178.2	-173.2	-98.9	0	0	0	109.8	L650 Y652 I661 F702 T785 K786 P812 L815 I862 N863	L650-Y659 WeakPolarHBondContact CD2-OH 3.47Å; Y652-Y659 HydrophobicContact CD2-CD2 4.34Å; Y659-I661 HydrophobicContact CD1-CD1 4.35Å; Y659-I661 HydrophobicContact CD1-CG1 4.16Å; Y659-I661 HydrophobicContact CE1-CD1 3.5Å; Y659-I661 HydrophobicContact CE1-CG1 3.38Å; Y659-F702 HydrophobicContact CD1-CE1 4.11Å; Y659-F702 AromaticContact CD1-CZ 3.96Å; Y659-F702 HydrophobicContact CD1-CZ 3.96Å; Y659-F702 HydrophobicContact CE1-CE1 4.45Å; Y659-F702 HydrophobicContact CE1-CZ 4.1Å; Y659-F702 HydrophobicContact CG-CE1 4.36Å; Y659-T785 CarbonylContact O-C 3.54Å; Y659-T785 WeakPolarHBondContact O-CA 3.2Å; Y659-K786 PolarHBondContact N-O 3.21Å; Y659-K786 PolarHBondContact O-N 2.8Å; Y659-P812 HydrophobicContact CD2-CG 4.21Å; Y659-P812 HydrophobicContact CE2-CB 4.38Å; Y659-P812 HydrophobicContact CE2-CG 4.12Å; Y659-L815 WeakPolarHBondContact OH-CD2 3.41Å; Y659-I862 HydrophobicContact CE2-CG2 3.91Å; Y659-I862 WeakPolarHBondContact OH-CG2 3.49Å; Y659-N863 WeakPolarHBondContact CA-OD1 3.36Å; Y659-N863 WeakPolarHBondContact CD2-ND2 3.36Å; Y659-N863 WeakPolarHBondContact CD2-OD1 3.47Å; Y659-N863 WeakPolarHBondContact CE2-ND2 3.27Å
660	H	88.9	Confident	80.1	Confident	71 Å²	71	68.1 Å²	68.1	33%	0.329	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	130.2	-176.4	-58.2	-88.1	0	0	0	110.3	L783 L784 T785 I862 N863	H660-L783 HydrophobicContact CB-CD1 4.5Å; H660-L784 CarbonylContact C-O 3.59Å; H660-L784 WeakPolarHBondContact CA-O 3.38Å; H660-T785 WeakPolarHBondContact ND1-CG2 3.49Å; H660-I862 CarbonylContact O-C 3.5Å; H660-I862 WeakPolarHBondContact O-CA 3.46Å; H660-N863 PolarHBondContact N-OD1 2.74Å; H660-N863 PolarHBondContact O-N 3.4Å
661	I	91.1	Very high	79.6	Confident	1 Å²	1	68.1 Å²	68.1	1%	0.005	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	118.4	167.8	-60.8	162.2	0	0	0	107.2	Y659 L663 V698 L783 L784 L815 I817 L860	Y659-I661 HydrophobicContact CD1-CD1 4.35Å; Y659-I661 HydrophobicContact CD1-CG1 4.16Å; Y659-I661 HydrophobicContact CE1-CD1 3.5Å; Y659-I661 HydrophobicContact CE1-CG1 3.38Å; I661-L663 HydrophobicContact CG2-CD2 4.39Å; I661-V698 HydrophobicContact CD1-CG1 4.13Å; I661-L783 CarbonylContact O-C 3.6Å; I661-L783 WeakPolarHBondContact O-CA 2.89Å; I661-L784 HydrophobicContact CB-CB 4.35Å; I661-L784 HydrophobicContact CD1-CD2 4.15Å; I661-L784 PolarHBondContact N-O 3.48Å; I661-L784 PolarHBondContact O-N 2.8Å; I661-L815 HydrophobicContact CD1-CD1 3.51Å; I661-L815 HydrophobicContact CD1-CD2 3.74Å; I661-L815 HydrophobicContact CD1-CG 4.28Å; I661-L815 HydrophobicContact CG1-CD2 4.06Å; I661-I817 HydrophobicContact CG2-CD1 4.27Å; I661-L860 HydrophobicContact CG2-CD1 4.29Å
662	S	93	Very high	79.4	Confident	11 Å²	11	63.5 Å²	63.5	8%	0.077	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	128.1	174.8	169.5	0	0	0	0	108.5	L782 L860 E861	S662-L782 CarbonylContact C-O 3.47Å; S662-L782 VanDerWaalsContact CA-O 3.27Å; S662-L782 WeakPolarHBondContact CA-O 3.22Å; S662-L860 CarbonylContact O-C 3.58Å; S662-L860 WeakPolarHBondContact O-CA 3.44Å; S662-E861 PolarHBondContact N-O 2.93Å; S662-E861 PolarHBondContact O-N 3.46Å
663	L	93.8	Very high	78.6	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	140.3	175.6	64.8	91.7	0	0	0	110.9	I661 F665 L697 V698 L782 I817 I857 K859 L860	I661-L663 HydrophobicContact CG2-CD2 4.39Å; L663-F665 HydrophobicContact CD1-CB 3.73Å; L663-F665 HydrophobicContact CD1-CD1 3.31Å; L663-F665 HydrophobicContact CD1-CE1 4.16Å; L663-F665 HydrophobicContact CD1-CG 3.77Å; L663-L697 HydrophobicContact CD1-CD2 4.46Å; L663-V698 HydrophobicContact CD2-CG2 3.65Å; L663-L782 HydrophobicContact CD1-CB 4.07Å; L663-L782 HydrophobicContact CD2-CD2 4.3Å; L663-L782 HydrophobicContact CG-CB 4.1Å; L663-L782 HydrophobicContact CG-CD2 4.25Å; L663-L782 PolarHBondContact N-O 3.46Å; L663-L782 PolarHBondContact O-N 3.06Å; L663-I817 HydrophobicContact CD2-CD1 4.31Å; L663-I857 HydrophobicContact CB-CG2 4.19Å; L663-K859 CarbonylContact C-O 3.59Å; L663-K859 VanDerWaalsContact CA-O 3.25Å; L663-K859 WeakPolarHBondContact CA-O 3.29Å; L663-L860 HydrophobicContact CB-CD1 4.08Å
664	E	94.2	Very high	77.2	Confident	38 Å²	38	63.5 Å²	63.5	18%	0.178	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	117	171	-68.5	-177.6	-149.4	0	0	108.9	H780 K781 I857 K858 K859	E664-H780 CarbonylContact C-O 3.6Å; E664-H780 WeakPolarHBondContact CA-O 3.26Å; E664-K781 HydrophobicContact CG-CB 4.1Å; E664-K781 HydrophobicContact CG-CD 4.33Å; E664-K781 HydrophobicContact CG-CG 3.94Å; E664-I857 CarbonylContact O-C 3.59Å; E664-I857 WeakPolarHBondContact O-CA 3.44Å; E664-K858 HydrophobicContact CB-CD 4.41Å; E664-K858 VanDerWaalsContact CB-CE 3.48Å; E664-K858 HydrophobicContact CB-CG 3.88Å; E664-K858 PolarHBondContact O-N 2.87Å; E664-K858 WeakPolarHBondContact OE2-CE 3.43Å; E664-K858 IonicContact OE2-NZ 2.74Å; E664-K858 PolarHBondContact OE2-NZ 3.12Å; E664-K859 HydrophobicContact CB-CB 4.19Å; E664-K859 HydrophobicContact CG-CB 4.45Å; E664-K859 PolarHBondContact N-O 3.4Å
665	F	93.5	Very high	76	Confident	1 Å²	1	61.6 Å²	61.6	0%	0.004	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	158.2	-170.4	74.9	-76.9	0	0	0	113.1	L663 L667 L697 L721 L773 W779 H780 L782 F853 C856 I857	L663-F665 HydrophobicContact CD1-CB 3.73Å; L663-F665 HydrophobicContact CD1-CD1 3.31Å; L663-F665 HydrophobicContact CD1-CE1 4.16Å; L663-F665 HydrophobicContact CD1-CG 3.77Å; F665-L667 HydrophobicContact CD2-CD2 4.41Å; F665-L667 HydrophobicContact CE2-CD2 4.16Å; F665-L667 HydrophobicContact CE2-CG 4.22Å; F665-L697 HydrophobicContact CD1-CD2 4.45Å; F665-L697 HydrophobicContact CD2-CD2 4.37Å; F665-L697 HydrophobicContact CE1-CD2 4.19Å; F665-L697 HydrophobicContact CE2-CD2 4.11Å; F665-L697 HydrophobicContact CZ-CD2 4Å; F665-L721 HydrophobicContact CZ-CD1 4.41Å; F665-L773 HydrophobicContact CE2-CD1 3.88Å; F665-L773 HydrophobicContact CZ-CD1 3.65Å; F665-W779 VanDerWaalsContact C-CE3 3.41Å; F665-W779 WeakPolarHBondContact O-CA 3.49Å; F665-H780 HydrophobicContact CD1-CB 4.04Å; F665-H780 VanDerWaalsContact CD1-O 3.27Å; F665-H780 WeakPolarHBondContact CD1-O 3.39Å; F665-H780 HydrophobicContact CE1-CB 3.55Å; F665-H780 HydrophobicContact CE2-CB 4.33Å; F665-H780 HydrophobicContact CZ-CB 3.73Å; F665-H780 PolarHBondContact N-O 3.37Å; F665-H780 PolarHBondContact O-N 3.29Å; F665-L782 HydrophobicContact CD1-CB 4.33Å; F665-L782 HydrophobicContact CE1-CB 3.94Å; F665-L782 HydrophobicContact CE1-CD1 4.36Å; F665-F853 HydrophobicContact CB-CZ 4.18Å; F665-F853 AromaticContact CD2-CE2 3.75Å; F665-F853 HydrophobicContact CD2-CE2 3.75Å; F665-F853 HydrophobicContact CD2-CZ 4.09Å; F665-F853 HydrophobicContact CE2-CE2 4.44Å; F665-C856 CarbonylContact C-O 3.16Å; F665-C856 WeakPolarHBondContact CA-O 3.15Å; F665-C856 WeakPolarHBondContact CB-O 3.41Å; F665-I857 HydrophobicContact CB-CG1 4.04Å
666	R	92	Very high	74.5	Confident	64 Å²	64	61.6 Å²	61.6	24%	0.242	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	132.1	179.7	-179.6	177.7	77.2	161.4	-7.1	109.3	G776 D778 W779 G855 C856	R666-G776 WeakPolarHBondContact CD-O 3.26Å; R666-G776 VanDerWaalsContact CG-O 3.27Å; R666-G776 WeakPolarHBondContact CG-O 3.3Å; R666-D778 WeakPolarHBondContact CG-O 3.35Å; R666-W779 HydrophobicContact CB-CD2 3.93Å; R666-W779 HydrophobicContact CB-CE3 3.72Å; R666-W779 HydrophobicContact CB-CH2 4.04Å; R666-W779 HydrophobicContact CB-CZ2 4.24Å; R666-W779 HydrophobicContact CB-CZ3 3.76Å; R666-G855 CarbonylContact O-C 3.58Å; R666-G855 VanDerWaalsContact O-CA 3.25Å; R666-G855 WeakPolarHBondContact O-CA 3.49Å; R666-C856 PolarHBondContact N-O 2.79Å; R666-C856 PolarHBondContact O-N 3.28Å
667	L	88.8	Confident	72.5	Confident	2 Å²	2	65.4 Å²	65.4	1%	0.01	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	139.4	-178.3	-66.3	173.5	0	0	0	111.8	F665 L715 L773 L775 G776 F853	F665-L667 HydrophobicContact CD2-CD2 4.41Å; F665-L667 HydrophobicContact CE2-CD2 4.16Å; F665-L667 HydrophobicContact CE2-CG 4.22Å; L667-L715 HydrophobicContact CD1-CD1 4.27Å; L667-L715 HydrophobicContact CD1-CD2 4.19Å; L667-L715 HydrophobicContact CD2-CD2 3.38Å; L667-L715 HydrophobicContact CG-CD2 4.45Å; L667-L773 HydrophobicContact CD1-CB 3.69Å; L667-L773 HydrophobicContact CD1-CD1 4.08Å; L667-L775 HydrophobicContact CB-CD2 3.61Å; L667-L775 HydrophobicContact CD1-CD2 4Å; L667-L775 HydrophobicContact CG-CD2 4.42Å; L667-G776 VanDerWaalsContact O-CA 3.32Å; L667-G776 WeakPolarHBondContact O-CA 3.44Å; L667-G776 PolarHBondContact O-N 2.98Å; L667-F853 HydrophobicContact CD2-CD2 4.1Å; L667-F853 HydrophobicContact CD2-CE2 3.63Å
668	S	84.7	Confident	70.3	Confident	33 Å²	33	62.4 Å²	62.4	23%	0.231	36%	0.356	C	S	.	.			trans	-73.8	144.1	173.2	177.7	0	0	0	0	111.2	K670 S671 N854	S668-K670 PolarHBondContact O-N 3.14Å; S668-K670 VanDerWaalsContact O-N 3.13Å; S668-K670 PolarHBondContact OG-N 3.26Å; S668-S671 PolarHBondContact N-OG 3.14Å; S668-S671 WeakPolarHBondContact O-CB 3.31Å; S668-S671 PolarHBondContact O-N 3.36Å; S668-S671 PolarHBondContact O-OG 3.43Å; S668-N854 VanDerWaalsContact CB-O 3.3Å; S668-N854 WeakPolarHBondContact CB-O 3.38Å; S668-N854 VanDerWaalsContact CB-OD1 3.24Å; S668-N854 WeakPolarHBondContact CB-OD1 3.38Å; S668-N854 PolarHBondContact N-O 2.83Å; S668-N854 PolarHBondContact OG-OD1 2.83Å
669	N	77.8	Confident	67.8	Low	108 Å²	108	65.1 Å²	65.1	58%	0.578	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-20.6	170.7	-73.5	-12	0	0	0	112.6	G776	N669-G776 WeakPolarHBondContact OD1-CA 3.46Å; N669-G776 PolarHBondContact OD1-N 3.2Å
670	K	71.6	Confident	65	Low	166 Å²	166	73.6 Å²	73.6	72%	0.722	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-0.1	176.8	-62.4	-178.1	-179.5	177.7	0	113.7	S668 F672	S668-K670 PolarHBondContact O-N 3.14Å; S668-K670 VanDerWaalsContact O-N 3.13Å; S668-K670 PolarHBondContact OG-N 3.26Å; K670-F672 PolarHBondContact O-N 3.38Å
671	S	63.3	Low	62	Low	7 Å²	7	77.2 Å²	77.2	5%	0.049	43%	0.429	C	S	.	.	S	Bend	trans	-57	-34.3	-176.8	-61.8	0	0	0	0	112.9	S668 Q695 N854	S668-S671 PolarHBondContact N-OG 3.14Å; S668-S671 WeakPolarHBondContact O-CB 3.31Å; S668-S671 PolarHBondContact O-N 3.36Å; S668-S671 PolarHBondContact O-OG 3.43Å; S671-Q695 PolarHBondContact O-NE2 3.38Å; S671-N854 PolarHBondContact OG-O 3.35Å
672	F	62	Low	59	Low	41 Å²	41	86.7 Å²	86.7	18%	0.18	47%	0.466	C	S	.	.	S	Bend	trans	-120.5	101.6	-179.6	-52.6	-75.2	0	0	0	106.3	K670 L715 L716 K719 L775	K670-F672 PolarHBondContact O-N 3.38Å; F672-L715 HydrophobicContact CE1-CD2 4.27Å; F672-L715 HydrophobicContact CE1-CG 4.33Å; F672-L715 HydrophobicContact CE2-CD2 4.25Å; F672-L715 HydrophobicContact CZ-CD1 4.24Å; F672-L715 HydrophobicContact CZ-CD2 3.53Å; F672-L715 HydrophobicContact CZ-CG 3.74Å; F672-L716 WeakPolarHBondContact CE1-O 3.14Å; F672-L716 WeakPolarHBondContact CZ-O 3.44Å; F672-K719 HydrophobicContact CD2-CG 4.16Å; F672-K719 HydrophobicContact CE2-CB 4.21Å; F672-K719 HydrophobicContact CE2-CG 3.66Å; F672-K719 HydrophobicContact CZ-CB 4.28Å; F672-K719 HydrophobicContact CZ-CG 4.05Å; F672-L775 HydrophobicContact CD2-CD1 4.12Å; F672-L775 HydrophobicContact CD2-CD2 3.91Å; F672-L775 HydrophobicContact CE2-CD2 3.7Å
673	G	50.2	Low	56.1	Low	56 Å²	56	91 Å²	91	58%	0.577	49%	0.494	S	S	*	.			trans	-57.8	164.5	177.2	0	0	0	0	0	111.6	G675	G673-G675 PolarHBondContact O-N 3.44Å
674	N	39	Very low	53.5	Low	179 Å²	179	97 Å²	97	96%	0.957	54%	0.535	S	S	*	.	S	Bend	trans	-60.7	21.8	-179.9	-80.5	-5.9	0	0	0	116	I676	N674-I676 PolarHBondContact O-N 2.93Å
675	G	38.1	Very low	50.6	Low	65 Å²	65	100.5 Å²	100.5	67%	0.67	56%	0.56	S	S	*	*			trans	-94.3	57.4	-177.3	0	0	0	0	0	113.8	G673	G673-G675 PolarHBondContact O-N 3.44Å
676	I	31.7	Very low	47.6	Very low	134 Å²	134	106.6 Å²	106.6	69%	0.687	59%	0.592	S	S	*	*			trans	-142.3	81.7	158.7	-49.7	179	0	0	0	108.9	N674	N674-I676 PolarHBondContact O-N 2.93Å
677	T	28.5	Very low	44.8	Very low	124 Å²	124	109.4 Å²	109.4	76%	0.761	61%	0.612	S	S	*	*			trans	-77.7	116.1	145.3	36	0	0	0	0	106.5	M679	T677-M679 PolarHBondContact O-N 3.15Å
678	S	27.2	Very low	42.1	Very low	104 Å²	104	113.2 Å²	113.2	73%	0.727	64%	0.644	S	S	*	*			trans	-63.8	102.3	176.2	62.9	0	0	0	0	109.8	K680	S678-K680 PolarHBondContact O-N 3.35Å
679	M	28	Very low	39.7	Very low	155 Å²	155	115.2 Å²	115.2	76%	0.764	66%	0.658	S	S	*	*			trans	-84.4	87	165.7	-72.8	-168.2	-162.6	0	0	108.8	T677	T677-M679 PolarHBondContact O-N 3.15Å
680	K	27.6	Very low	37.7	Very low	185 Å²	185	115.1 Å²	115.1	80%	0.804	66%	0.661	S	S	*	*			trans	-71.3	124.6	148.7	-78.3	-178.6	176.3	178.6	0	105.6	S678	S678-K680 PolarHBondContact O-N 3.35Å
681	N	26.9	Very low	36.3	Very low	147 Å²	147	114.1 Å²	114.1	79%	0.786	66%	0.657	S	S	*	*			trans	89.8	85.5	178.3	-46.3	-20.6	0	0	0	114.6
682	Y	27.9	Very low	35.5	Very low	201 Å²	201	118.8 Å²	118.8	79%	0.788	68%	0.681	S	S	*	*			trans	-150.1	137.2	141.6	-128.9	-91.2	0	0	0	111.8
683	P	31.7	Very low	35.4	Very low	101 Å²	101	119.2 Å²	119.2	66%	0.656	68%	0.683	S	S	*	*			trans	-83.3	160.2	-175.8	-1.9	22.6	0	0	0	112.5	T685	P683-T685 VanDerWaalsContact C-N 3.27Å; P683-T685 PolarHBondContact O-N 3.36Å
684	S	39	Very low	36.7	Very low	125 Å²	125	118 Å²	118	87%	0.874	66%	0.661	S	S	*	*	S	Bend	trans	-72.1	37.9	-157.6	75.6	0	0	0	0	118.2
685	T	32.9	Very low	38.9	Very low	113 Å²	113	109.6 Å²	109.6	69%	0.693	62%	0.617	S	S	*	*			trans	-146.6	76.7	176	56.9	0	0	0	0	110.4	P683	P683-T685 VanDerWaalsContact C-N 3.27Å; P683-T685 PolarHBondContact O-N 3.36Å
686	N	30.5	Very low	41.2	Very low	128 Å²	128	106.5 Å²	106.5	68%	0.684	59%	0.585	S	S	*	*	S	Bend	trans	-179.8	143.3	145.2	-92.8	-8.3	0	0	0	110.8	A688	N686-A688 VanDerWaalsContact C-N 3.27Å; N686-A688 PolarHBondContact O-N 3.34Å
687	N	32.5	Very low	44	Very low	123 Å²	123	100.2 Å²	100.2	66%	0.658	55%	0.552	S	S	*	*			trans	-65.3	56.6	-165.7	-66.9	-50.4	0	0	0	115.7	S689 N845	N687-S689 PolarHBondContact O-N 3.41Å; N687-N845 PolarHBondContact ND2-ND2 3.04Å; N687-N845 PolarHBondContact OD1-ND2 2.85Å; N687-N845 VanDerWaalsContact OD1-ND2 3.16Å
688	A	32.4	Very low	47	Very low	83 Å²	83	94.4 Å²	94.4	69%	0.686	52%	0.517	S	S	*	.			trans	-75	97.8	169.1	0	0	0	0	0	109.8	N686 V690	N686-A688 VanDerWaalsContact C-N 3.27Å; N686-A688 PolarHBondContact O-N 3.34Å; A688-V690 PolarHBondContact O-N 2.96Å
689	S	34.8	Very low	50	Low	74 Å²	74	89.9 Å²	89.9	52%	0.517	48%	0.484	S	S	.	.			trans	-50.9	101.1	173	54.5	0	0	0	0	111.7	N687 K691	N687-S689 PolarHBondContact O-N 3.41Å; S689-K691 PolarHBondContact O-N 2.73Å
690	V	36	Very low	52.9	Low	106 Å²	106	82.6 Å²	82.6	64%	0.642	45%	0.449	S	S	*	.			trans	-70.3	102.4	178.1	-177.3	0	0	0	0	108.3	A688 L692	A688-V690 PolarHBondContact O-N 2.96Å; V690-L692 VanDerWaalsContact C-N 3.27Å; V690-L692 HydrophobicContact CG1-CD1 3.64Å; V690-L692 HydrophobicContact CG1-CG 3.73Å; V690-L692 PolarHBondContact O-N 2.9Å
691	K	41.4	Very low	55.7	Low	145 Å²	145	74.8 Å²	74.8	63%	0.63	42%	0.416	S	S	*	.			trans	-73.4	76.1	174.1	-76	177.3	-180	169.5	0	111	S689 F693	S689-K691 PolarHBondContact O-N 2.73Å; K691-F693 HydrophobicContact CB-CD2 4.27Å; K691-F693 HydrophobicContact CB-CE2 3.7Å; K691-F693 HydrophobicContact CB-CZ 4.05Å; K691-F693 HydrophobicContact CD-CE2 4.04Å; K691-F693 HydrophobicContact CD-CZ 3.94Å; K691-F693 HydrophobicContact CG-CE2 4.24Å; K691-F693 HydrophobicContact CG-CZ 4.14Å; K691-F693 PolarHBondContact O-N 3.06Å
692	L	47.1	Very low	58.4	Low	105 Å²	105	67.9 Å²	67.9	55%	0.55	38%	0.379	S	S	.	.			trans	-81.3	90.9	169.4	-79.2	150.9	0	0	0	109.8	V690 K694 P717	V690-L692 VanDerWaalsContact C-N 3.27Å; V690-L692 HydrophobicContact CG1-CD1 3.64Å; V690-L692 HydrophobicContact CG1-CG 3.73Å; V690-L692 PolarHBondContact O-N 2.9Å; L692-K694 PolarHBondContact O-N 2.72Å; L692-P717 HydrophobicContact CD2-CG 4.45Å
693	F	61	Low	60.9	Low	50 Å²	50	62.2 Å²	62.2	22%	0.219	36%	0.36	C	S	.	.			trans	-81.1	102.1	175.2	-63.1	-72.9	0	0	0	111	K691 P717 K849 K851	K691-F693 HydrophobicContact CB-CD2 4.27Å; K691-F693 HydrophobicContact CB-CE2 3.7Å; K691-F693 HydrophobicContact CB-CZ 4.05Å; K691-F693 HydrophobicContact CD-CE2 4.04Å; K691-F693 HydrophobicContact CD-CZ 3.94Å; K691-F693 HydrophobicContact CG-CE2 4.24Å; K691-F693 HydrophobicContact CG-CZ 4.14Å; K691-F693 PolarHBondContact O-N 3.06Å; F693-P717 VanDerWaalsContact O-CD 3.3Å; F693-P717 WeakPolarHBondContact O-CD 3.45Å; F693-P717 VanDerWaalsContact O-CG 3.26Å; F693-P717 WeakPolarHBondContact O-CG 3.12Å; F693-K849 HydrophobicContact CD1-CB 4.22Å; F693-K849 VanDerWaalsContact CD1-O 3.29Å; F693-K849 WeakPolarHBondContact CD1-O 3.37Å; F693-K849 HydrophobicContact CE1-CB 3.87Å; F693-K851 HydrophobicContact CD1-CD 4.01Å; F693-K851 HydrophobicContact CD1-CG 4.07Å; F693-K851 HydrophobicContact CE1-CD 4.29Å
694	K	75.7	Confident	63	Low	30 Å²	30	58.7 Å²	58.7	13%	0.13	34%	0.338	C	S	.	.			trans	-94.6	143.9	161.4	68.3	-167	-175.7	-172	0	110.6	L692 L715 L716 E832 S850 K851	L692-K694 PolarHBondContact O-N 2.72Å; K694-L715 CarbonylContact C-O 3.47Å; K694-L715 WeakPolarHBondContact CA-O 3.48Å; K694-L716 HydrophobicContact CB-CD2 4.32Å; K694-E832 WeakPolarHBondContact CE-OE1 3.13Å; K694-E832 WeakPolarHBondContact CE-OE2 3.35Å; K694-E832 IonicContact NZ-OE1 3.2Å; K694-E832 PolarHBondContact NZ-OE1 2.85Å; K694-E832 IonicContact NZ-OE2 3.2Å; K694-E832 PolarHBondContact NZ-OE2 3.1Å; K694-S850 WeakPolarHBondContact O-CA 3.4Å; K694-K851 PolarHBondContact O-N 3.16Å; K694-K851 VanDerWaalsContact O-N 3.08Å
695	Q	85.2	Confident	64.6	Low	4 Å²	4	58.4 Å²	58.4	2%	0.019	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	139.7	177.4	-53.2	176.2	14.9	0	0	111.2	S671 Q714 L715 K851	S671-Q695 PolarHBondContact O-NE2 3.38Å; Q695-Q714 CarbonylContact O-C 3.55Å; Q695-Q714 WeakPolarHBondContact O-CA 3.48Å; Q695-L715 HydrophobicContact CB-CB 4.21Å; Q695-L715 PolarHBondContact N-O 3.44Å; Q695-L715 PolarHBondContact O-N 3.23Å; Q695-K851 VanDerWaalsContact CA-O 3.23Å; Q695-K851 WeakPolarHBondContact CA-O 3.21Å; Q695-K851 HydrophobicContact CG-CB 4.48Å
696	Y	87	Confident	66.5	Low	0 Å²	0	57.4 Å²	57.4	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	121.9	172	-67.6	-93.3	0	0	0	110	Y699 L712 Q714 G818 G819 I820 H825 R828 K851 F853	Y696-Y699 HydrophobicContact CD1-CD2 4.26Å; Y696-Y699 HydrophobicContact CE1-CD2 4.35Å; Y696-L712 HydrophobicContact CE1-CD1 4.2Å; Y696-Q714 HydrophobicContact CD1-CG 3.99Å; Y696-Q714 HydrophobicContact CE1-CG 4.07Å; Y696-Q714 VanDerWaalsContact CZ-NE2 3.33Å; Y696-Q714 PolarHBondContact OH-NE2 3.07Å; Y696-G818 CarbonylContact O-C 3.58Å; Y696-G819 WeakPolarHBondContact O-CA 3.27Å; Y696-G819 PolarHBondContact O-N 2.78Å; Y696-I820 HydrophobicContact CD1-CD1 4.14Å; Y696-I820 HydrophobicContact CD2-CD1 3.71Å; Y696-I820 HydrophobicContact CD2-CG1 3.88Å; Y696-I820 HydrophobicContact CE1-CD1 4.05Å; Y696-I820 HydrophobicContact CE2-CD1 3.59Å; Y696-I820 HydrophobicContact CE2-CG1 4.24Å; Y696-I820 HydrophobicContact CG-CD1 3.97Å; Y696-I820 HydrophobicContact CG-CG1 4.07Å; Y696-H825 AromaticContact CD2-CE1 3.47Å; Y696-H825 VanDerWaalsContact CD2-CE1 3.47Å; Y696-H825 WeakPolarHBondContact CD2-CE1 3.47Å; Y696-H825 AromaticContact CD2-ND1 3.87Å; Y696-H825 AromaticContact CE2-CE1 3.68Å; Y696-H825 AromaticContact CE2-ND1 3.57Å; Y696-R828 WeakPolarHBondContact OH-CB 3.4Å; Y696-R828 PolarHBondContact OH-NE 2.73Å; Y696-K851 PolarHBondContact N-O 2.9Å; Y696-F853 PolarHBondContact O-N 2.71Å
697	L	90.4	Very high	68.6	Low	1 Å²	1	53.6 Å²	53.6	1%	0.005	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	-45.2	175.8	179.6	60.7	0	0	0	111.6	L663 F665 I713 L721 L782 G818 F853	L663-L697 HydrophobicContact CD1-CD2 4.46Å; F665-L697 HydrophobicContact CD1-CD2 4.45Å; F665-L697 HydrophobicContact CD2-CD2 4.37Å; F665-L697 HydrophobicContact CE1-CD2 4.19Å; F665-L697 HydrophobicContact CE2-CD2 4.11Å; F665-L697 HydrophobicContact CZ-CD2 4Å; L697-I713 HydrophobicContact CB-CG2 4.49Å; L697-I713 HydrophobicContact CD2-CG2 4.48Å; L697-I713 PolarHBondContact N-O 2.75Å; L697-L721 HydrophobicContact CD2-CD2 4.34Å; L697-L782 HydrophobicContact CD2-CD1 3.98Å; L697-G818 PolarHBondContact O-N 2.77Å; L697-F853 HydrophobicContact CD1-CB 4.15Å; L697-F853 HydrophobicContact CD1-CD1 4.14Å; L697-F853 HydrophobicContact CD1-CD2 3.62Å; L697-F853 HydrophobicContact CD1-CE1 4.45Å; L697-F853 HydrophobicContact CD1-CE2 3.91Å; L697-F853 HydrophobicContact CD1-CG 3.71Å; L697-F853 HydrophobicContact CD1-CZ 4.34Å
698	V	91.5	Very high	70.9	Confident	2 Å²	2	49 Å²	49	1%	0.012	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	134.9	176	-177.5	0	0	0	0	108.7	I661 L663 L712 I713 L815 F816 I817	I661-V698 HydrophobicContact CD1-CG1 4.13Å; L663-V698 HydrophobicContact CD2-CG2 3.65Å; V698-L712 CarbonylContact O-C 3.3Å; V698-L712 WeakPolarHBondContact O-CA 3.17Å; V698-I713 HydrophobicContact CB-CB 4.01Å; V698-I713 HydrophobicContact CB-CD1 4.09Å; V698-I713 HydrophobicContact CB-CG1 4.14Å; V698-I713 HydrophobicContact CG2-CB 4.41Å; V698-I713 HydrophobicContact CG2-CD1 4.11Å; V698-I713 PolarHBondContact N-O 2.93Å; V698-I713 PolarHBondContact O-N 2.99Å; V698-L815 HydrophobicContact CG1-CD1 3.79Å; V698-F816 WeakPolarHBondContact CA-O 3.36Å; V698-I817 HydrophobicContact CB-CD1 4.29Å; V698-I817 HydrophobicContact CG1-CD1 3.93Å; V698-I817 HydrophobicContact CG2-CD1 3.84Å
699	Y	90.8	Very high	73.3	Confident	9 Å²	9	45 Å²	45	4%	0.035	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	105.5	171.8	-173.4	-82.4	0	0	0	109.5	Y696 V701 N710 I711 L712 F816 I820 L824	Y696-Y699 HydrophobicContact CD1-CD2 4.26Å; Y696-Y699 HydrophobicContact CE1-CD2 4.35Å; Y699-V701 HydrophobicContact CD1-CG2 4.05Å; Y699-V701 HydrophobicContact CE1-CG2 3.52Å; Y699-N710 HydrophobicContact CE2-CB 4.38Å; Y699-N710 VanDerWaalsContact OH-CG 3.31Å; Y699-N710 PolarHBondContact OH-ND2 3.43Å; Y699-I711 CarbonylContact C-O 3.54Å; Y699-I711 WeakPolarHBondContact CA-O 3.43Å; Y699-L712 HydrophobicContact CD2-CB 3.87Å; Y699-L712 HydrophobicContact CE2-CB 4.38Å; Y699-F816 AromaticContact CD1-CD2 3.93Å; Y699-F816 HydrophobicContact CD1-CD2 3.93Å; Y699-F816 HydrophobicContact CD1-CE2 4.46Å; Y699-F816 PolarHBondContact N-O 2.96Å; Y699-F816 PolarHBondContact O-N 2.94Å; Y699-I820 HydrophobicContact CD1-CG2 4.22Å; Y699-I820 HydrophobicContact CD2-CG2 4.22Å; Y699-I820 HydrophobicContact CG-CG2 3.76Å; Y699-L824 HydrophobicContact CD1-CD2 3.93Å; Y699-L824 HydrophobicContact CE1-CD2 3.57Å; Y699-L824 HydrophobicContact CE2-CD2 4.45Å
700	G	88.6	Confident	75.8	Confident	3 Å²	3	42.2 Å²	42.2	3%	0.031	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	128.4	179.4	0	0	0	0	0	111.5	N710 I711	G700-N710 CarbonylContact O-C 3.58Å; G700-N710 VanDerWaalsContact O-CA 3.3Å; G700-N710 WeakPolarHBondContact O-CA 3.5Å; G700-I711 PolarHBondContact N-O 2.8Å; G700-I711 PolarHBondContact O-N 2.59Å
701	V	86.5	Confident	78.3	Confident	20 Å²	20	37.2 Å²	37.2	12%	0.121	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	119.2	171.9	-175.6	0	0	0	0	108.5	Y699 I708 V813 Q814	Y699-V701 HydrophobicContact CD1-CG2 4.05Å; Y699-V701 HydrophobicContact CE1-CG2 3.52Å; V701-I708 HydrophobicContact CG1-CG2 3.82Å; V701-V813 PolarHBondContact O-N 3.3Å; V701-Q814 HydrophobicContact CB-CB 4.14Å; V701-Q814 HydrophobicContact CG2-CB 4.27Å; V701-Q814 PolarHBondContact N-O 2.73Å; V701-Q814 PolarHBondContact O-N 3.01Å
702	F	84.1	Confident	80.6	Confident	3 Å²	3	30.3 Å²	30.3	1%	0.013	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	136.9	175.5	-60.1	-102.2	0	0	0	108.7	Y659 I708 Q709 I711 K786 V810 Q811 P812	Y659-F702 HydrophobicContact CD1-CE1 4.11Å; Y659-F702 AromaticContact CD1-CZ 3.96Å; Y659-F702 HydrophobicContact CD1-CZ 3.96Å; Y659-F702 HydrophobicContact CE1-CE1 4.45Å; Y659-F702 HydrophobicContact CE1-CZ 4.1Å; Y659-F702 HydrophobicContact CG-CE1 4.36Å; F702-I708 CarbonylContact O-C 3.59Å; F702-I708 WeakPolarHBondContact O-CA 3.29Å; F702-Q709 HydrophobicContact CB-CB 4.21Å; F702-Q709 PolarHBondContact N-O 3.15Å; F702-Q709 PolarHBondContact O-N 3.34Å; F702-I711 HydrophobicContact CD2-CD1 3.89Å; F702-I711 HydrophobicContact CD2-CG1 4.03Å; F702-I711 HydrophobicContact CE2-CB 4.31Å; F702-I711 HydrophobicContact CE2-CD1 3.41Å; F702-I711 VanDerWaalsContact CE2-CD1 3.41Å; F702-I711 HydrophobicContact CE2-CG1 3.83Å; F702-I711 HydrophobicContact CZ-CD1 3.96Å; F702-K786 HydrophobicContact CD1-CD 4.14Å; F702-K786 HydrophobicContact CE1-CD 3.81Å; F702-K786 HydrophobicContact CZ-CD 4.22Å; F702-V810 HydrophobicContact CB-CB 3.91Å; F702-V810 HydrophobicContact CB-CG2 4.15Å; F702-Q811 CarbonylContact C-O 3.37Å; F702-Q811 WeakPolarHBondContact CA-O 3.47Å; F702-P812 HydrophobicContact CD1-CB 3.84Å; F702-P812 HydrophobicContact CE1-CB 3.69Å; F702-P812 HydrophobicContact CE1-CG 4.36Å; F702-P812 HydrophobicContact CZ-CB 4.44Å
703	Q	80.1	Confident	82.8	Confident	81 Å²	81	25.3 Å²	25.3	38%	0.379	13%	0.13	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	145.2	-174	-172.2	172.2	-6.8	0	0	111.2	K707 I708 V810 Q811 V813	Q703-K707 CarbonylContact C-O 3.53Å; Q703-K707 WeakPolarHBondContact CA-O 3.47Å; Q703-I708 HydrophobicContact CB-CG1 4.39Å; Q703-I708 HydrophobicContact CG-CG1 3.9Å; Q703-V810 WeakPolarHBondContact O-CA 3.39Å; Q703-Q811 PolarHBondContact N-O 2.91Å; Q703-Q811 PolarHBondContact O-N 2.79Å; Q703-V813 HydrophobicContact CB-CG2 3.37Å; Q703-V813 HydrophobicContact CG-CG2 4.49Å
704	S	75.4	Confident	84.1	Confident	27 Å²	27	23.1 Å²	23.1	19%	0.189	12%	0.12	C	C	.	.			trans	-119.3	-178.7	165.7	80.7	0	0	0	0	109.5	H706 K707 E809	S704-H706 VanDerWaalsContact C-N 3.26Å; S704-H706 PolarHBondContact O-N 3.4Å; S704-H706 PolarHBondContact OG-N 3.43Å; S704-K707 PolarHBondContact N-O 3.01Å; S704-K707 PolarHBondContact OG-N 3.03Å; S704-K707 PolarHBondContact OG-O 3.43Å; S704-E809 WeakPolarHBondContact CB-O 3.44Å
705	V	72.6	Confident	84.6	Confident	120 Å²	120	21.8 Å²	21.8	73%	0.727	12%	0.115	S	C	*	.	S	Bend	trans	-56.5	-42.3	173.8	-177.6	0	0	0	0	111.6	T730	V705-T730 PolarHBondContact O-OG1 3.09Å
706	H	73.7	Confident	84.5	Confident	92 Å²	92	23 Å²	23	43%	0.426	12%	0.121	S	C	.	.	S	Bend	trans	-110	-5.8	-170.5	-59.1	-77.3	0	0	0	114.4	S704 E729 T730 E731	S704-H706 VanDerWaalsContact C-N 3.26Å; S704-H706 PolarHBondContact O-N 3.4Å; S704-H706 PolarHBondContact OG-N 3.43Å; H706-E729 CarbonylContact O-C 3.56Å; H706-E729 WeakPolarHBondContact O-CA 3.27Å; H706-T730 WeakPolarHBondContact CA-OG1 3.23Å; H706-T730 PolarHBondContact N-OG1 3.02Å; H706-T730 PolarHBondContact O-N 3.23Å; H706-T730 PolarHBondContact O-OG1 2.95Å; H706-T730 VanDerWaalsContact O-OG1 3.12Å; H706-E731 HydrophobicContact CB-CG 4.48Å; H706-E731 IonicContact CE1-OE1 3.54Å; H706-E731 PolarHBondContact CE1-OE1 2.91Å; H706-E731 IonicContact CG-OE1 2.59Å; H706-E731 WeakPolarHBondContact ND1-CG 2.93Å; H706-E731 IonicContact ND1-OE1 2.73Å; H706-E731 PolarHBondContact ND1-OE1 3.03Å
707	K	74.6	Confident	83.9	Confident	48 Å²	48	24.9 Å²	24.9	21%	0.209	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	148	-171.2	-60	-172.3	-177.9	-171.1	0	113.7	Q703 S704 V728 T730 E807	Q703-K707 CarbonylContact C-O 3.53Å; Q703-K707 WeakPolarHBondContact CA-O 3.47Å; S704-K707 PolarHBondContact N-O 3.01Å; S704-K707 PolarHBondContact OG-N 3.03Å; S704-K707 PolarHBondContact OG-O 3.43Å; K707-V728 CarbonylContact C-O 3.44Å; K707-V728 VanDerWaalsContact CA-O 3.27Å; K707-V728 WeakPolarHBondContact CA-O 3.45Å; K707-T730 PolarHBondContact N-OG1 3.14Å; K707-E807 WeakPolarHBondContact CD-OE2 3.45Å; K707-E807 WeakPolarHBondContact CE-OE2 3.47Å; K707-E807 IonicContact NZ-OE1 2.73Å; K707-E807 PolarHBondContact NZ-OE1 2.83Å; K707-E807 IonicContact NZ-OE2 2.71Å; K707-E807 PolarHBondContact NZ-OE2 2.83Å
708	I	80.1	Confident	83.3	Confident	25 Å²	25	28.4 Å²	28.4	13%	0.128	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	130.9	165.6	-62.6	163.5	0	0	0	107.8	V701 F702 Q703 Y727 V728 T730	V701-I708 HydrophobicContact CG1-CG2 3.82Å; F702-I708 CarbonylContact O-C 3.59Å; F702-I708 WeakPolarHBondContact O-CA 3.29Å; Q703-I708 HydrophobicContact CB-CG1 4.39Å; Q703-I708 HydrophobicContact CG-CG1 3.9Å; I708-Y727 CarbonylContact O-C 3.57Å; I708-Y727 WeakPolarHBondContact O-CA 3.45Å; I708-V728 HydrophobicContact CB-CB 4.27Å; I708-V728 PolarHBondContact N-O 3.04Å; I708-V728 PolarHBondContact O-N 3.48Å; I708-T730 HydrophobicContact CD1-CG2 3.97Å; I708-T730 HydrophobicContact CG1-CG2 3.72Å
709	Q	83.2	Confident	82.9	Confident	1 Å²	1	31.3 Å²	31.3	1%	0.005	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	122.9	172.4	-74	-179.3	8.9	0	0	109.3	F702 E726 Y727 V810	F702-Q709 HydrophobicContact CB-CB 4.21Å; F702-Q709 PolarHBondContact N-O 3.15Å; F702-Q709 PolarHBondContact O-N 3.34Å; Q709-E726 CarbonylContact C-O 3.31Å; Q709-E726 VanDerWaalsContact CA-O 3.25Å; Q709-E726 WeakPolarHBondContact CA-O 3.47Å; Q709-Y727 HydrophobicContact CG-CD1 3.61Å; Q709-Y727 HydrophobicContact CG-CE1 3.66Å; Q709-V810 HydrophobicContact CB-CG1 4.47Å; Q709-V810 VanDerWaalsContact CD-CG2 3.42Å; Q709-V810 HydrophobicContact CG-CG1 4.02Å; Q709-V810 HydrophobicContact CG-CG2 4.32Å
710	N	87	Confident	82.6	Confident	15 Å²	15	35.8 Å²	35.8	8%	0.08	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	127.3	172.6	-54.7	-43.4	0	0	0	109.6	Y699 G700 L725 E726	Y699-N710 HydrophobicContact CE2-CB 4.38Å; Y699-N710 VanDerWaalsContact OH-CG 3.31Å; Y699-N710 PolarHBondContact OH-ND2 3.43Å; G700-N710 CarbonylContact O-C 3.58Å; G700-N710 VanDerWaalsContact O-CA 3.3Å; G700-N710 WeakPolarHBondContact O-CA 3.5Å; N710-L725 WeakPolarHBondContact O-CA 3.32Å; N710-E726 HydrophobicContact CB-CB 4.21Å; N710-E726 PolarHBondContact N-O 3.25Å; N710-E726 PolarHBondContact O-N 3.35Å
711	I	89.2	Confident	82.7	Confident	1 Å²	1	35.7 Å²	35.7	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	123.5	171.7	-52.2	176.9	0	0	0	107.2	Y699 G700 F702 L723 G724 L725 L784 K786 I791	Y699-I711 CarbonylContact C-O 3.54Å; Y699-I711 WeakPolarHBondContact CA-O 3.43Å; G700-I711 PolarHBondContact N-O 2.8Å; G700-I711 PolarHBondContact O-N 2.59Å; F702-I711 HydrophobicContact CD2-CD1 3.89Å; F702-I711 HydrophobicContact CD2-CG1 4.03Å; F702-I711 HydrophobicContact CE2-CB 4.31Å; F702-I711 HydrophobicContact CE2-CD1 3.41Å; F702-I711 VanDerWaalsContact CE2-CD1 3.41Å; F702-I711 HydrophobicContact CE2-CG1 3.83Å; F702-I711 HydrophobicContact CZ-CD1 3.96Å; I711-L723 HydrophobicContact CG2-CD1 4.03Å; I711-G724 WeakPolarHBondContact CA-O 3.38Å; I711-L725 HydrophobicContact CG1-CD1 3.97Å; I711-L784 HydrophobicContact CG2-CD2 4Å; I711-K786 HydrophobicContact CD1-CD 4.33Å; I711-I791 HydrophobicContact CD1-CD1 3.36Å; I711-I791 HydrophobicContact CD1-CG1 3.72Å; I711-I791 HydrophobicContact CG1-CD1 3.76Å; I711-I791 HydrophobicContact CG2-CG2 4.4Å
712	L	89.4	Confident	82.7	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	140.2	-179.2	57.6	150.6	0	0	0	111.2	Y696 V698 Y699 Q714 G724 E726 M766	Y696-L712 HydrophobicContact CE1-CD1 4.2Å; V698-L712 CarbonylContact O-C 3.3Å; V698-L712 WeakPolarHBondContact O-CA 3.17Å; Y699-L712 HydrophobicContact CD2-CB 3.87Å; Y699-L712 HydrophobicContact CE2-CB 4.38Å; L712-Q714 HydrophobicContact CD1-CG 4Å; L712-G724 WeakPolarHBondContact CD2-O 3.02Å; L712-G724 PolarHBondContact N-O 3.05Å; L712-G724 PolarHBondContact O-N 3.3Å; L712-E726 VanDerWaalsContact CD2-CD 3.45Å; L712-E726 HydrophobicContact CD2-CG 3.8Å; L712-E726 WeakPolarHBondContact CD2-OE1 3.49Å; L712-M766 HydrophobicContact CD1-CE 4.28Å
713	I	92.3	Very high	83	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	115.3	170	-58.5	179.2	0	0	0	106.8	L697 V698 L721 K722 L723 L782 L784 L793	L697-I713 HydrophobicContact CB-CG2 4.49Å; L697-I713 HydrophobicContact CD2-CG2 4.48Å; L697-I713 PolarHBondContact N-O 2.75Å; V698-I713 HydrophobicContact CB-CB 4.01Å; V698-I713 HydrophobicContact CB-CD1 4.09Å; V698-I713 HydrophobicContact CB-CG1 4.14Å; V698-I713 HydrophobicContact CG2-CB 4.41Å; V698-I713 HydrophobicContact CG2-CD1 4.11Å; V698-I713 PolarHBondContact N-O 2.93Å; V698-I713 PolarHBondContact O-N 2.99Å; I713-L721 HydrophobicContact CG2-CD1 4.28Å; I713-L721 HydrophobicContact CG2-CD2 4.01Å; I713-K722 CarbonylContact C-O 3.52Å; I713-K722 WeakPolarHBondContact CA-O 3.49Å; I713-L723 HydrophobicContact CG1-CD1 3.88Å; I713-L782 HydrophobicContact CD1-CD1 3.99Å; I713-L782 HydrophobicContact CD1-CD2 3.89Å; I713-L782 HydrophobicContact CD1-CG 4.48Å; I713-L782 HydrophobicContact CG2-CD1 4.13Å; I713-L784 HydrophobicContact CD1-CB 4.44Å; I713-L784 HydrophobicContact CD1-CD1 4.27Å; I713-L784 HydrophobicContact CD1-CD2 4.31Å; I713-L793 HydrophobicContact CD1-CD1 3.8Å; I713-L793 HydrophobicContact CD1-CD2 4.25Å
714	Q	88.9	Confident	83.3	Confident	3 Å²	3	32.7 Å²	32.7	1%	0.014	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	143.3	-179.7	-69.2	173.6	-29.5	0	0	110.6	Q695 Y696 L712 L721 K722	Q695-Q714 CarbonylContact O-C 3.55Å; Q695-Q714 WeakPolarHBondContact O-CA 3.48Å; Y696-Q714 HydrophobicContact CD1-CG 3.99Å; Y696-Q714 HydrophobicContact CE1-CG 4.07Å; Y696-Q714 VanDerWaalsContact CZ-NE2 3.33Å; Y696-Q714 PolarHBondContact OH-NE2 3.07Å; L712-Q714 HydrophobicContact CD1-CG 4Å; Q714-L721 CarbonylContact O-C 3.51Å; Q714-L721 VanDerWaalsContact O-CA 3.26Å; Q714-L721 WeakPolarHBondContact O-CA 3.4Å; Q714-L721 WeakPolarHBondContact O-CD2 3.29Å; Q714-K722 HydrophobicContact CB-CB 4.3Å; Q714-K722 PolarHBondContact N-O 3.46Å; Q714-K722 PolarHBondContact O-N 3.25Å
715	L	87	Confident	83.8	Confident	2 Å²	2	31.4 Å²	31.4	1%	0.01	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	123	166	179.6	71.1	0	0	0	109.1	L667 F672 K694 Q695 L721 L773	L667-L715 HydrophobicContact CD1-CD1 4.27Å; L667-L715 HydrophobicContact CD1-CD2 4.19Å; L667-L715 HydrophobicContact CD2-CD2 3.38Å; L667-L715 HydrophobicContact CG-CD2 4.45Å; F672-L715 HydrophobicContact CE1-CD2 4.27Å; F672-L715 HydrophobicContact CE1-CG 4.33Å; F672-L715 HydrophobicContact CE2-CD2 4.25Å; F672-L715 HydrophobicContact CZ-CD1 4.24Å; F672-L715 HydrophobicContact CZ-CD2 3.53Å; F672-L715 HydrophobicContact CZ-CG 3.74Å; K694-L715 CarbonylContact C-O 3.47Å; K694-L715 WeakPolarHBondContact CA-O 3.48Å; Q695-L715 HydrophobicContact CB-CB 4.21Å; Q695-L715 PolarHBondContact N-O 3.44Å; Q695-L715 PolarHBondContact O-N 3.23Å; L715-L721 HydrophobicContact CB-CD2 4.1Å; L715-L721 HydrophobicContact CD1-CD2 3.98Å; L715-L773 HydrophobicContact CD1-CD1 3.96Å
716	L	83.1	Confident	84.2	Confident	30 Å²	30	25.8 Å²	25.8	16%	0.157	12%	0.124	C	C	.	.			trans	-88.8	159.1	-179.7	-59.6	-178.5	0	0	0	111.3	F672 K694 T718 K719 R720 K722	F672-L716 WeakPolarHBondContact CE1-O 3.14Å; F672-L716 WeakPolarHBondContact CZ-O 3.44Å; K694-L716 HydrophobicContact CB-CD2 4.32Å; L716-T718 PolarHBondContact O-N 3.29Å; L716-T718 VanDerWaalsContact O-N 3.08Å; L716-K719 WeakPolarHBondContact O-CA 3.3Å; L716-K719 PolarHBondContact O-N 2.88Å; L716-R720 WeakPolarHBondContact CB-O 3.5Å; L716-R720 PolarHBondContact N-O 2.84Å; L716-K722 HydrophobicContact CD1-CB 4.1Å; L716-K722 HydrophobicContact CD1-CD 4.38Å; L716-K722 HydrophobicContact CD2-CB 4.25Å; L716-K722 HydrophobicContact CD2-CD 4.15Å; L716-K722 HydrophobicContact CG-CB 4.1Å
717	P	74.6	Confident	84.3	Confident	39 Å²	39	23.2 Å²	23.2	25%	0.253	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-28.9	173.5	-25.7	32	0	0	0	114.2	L692 F693 K719	L692-P717 HydrophobicContact CD2-CG 4.45Å; F693-P717 VanDerWaalsContact O-CD 3.3Å; F693-P717 WeakPolarHBondContact O-CD 3.45Å; F693-P717 VanDerWaalsContact O-CG 3.26Å; F693-P717 WeakPolarHBondContact O-CG 3.12Å; P717-K719 PolarHBondContact O-N 3.42Å; P717-K719 VanDerWaalsContact O-N 3.09Å
718	T	76.9	Confident	84.2	Confident	76 Å²	76	22.6 Å²	22.6	47%	0.466	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	9.7	174.6	59.4	0	0	0	0	113.2	L716 R720	L716-T718 PolarHBondContact O-N 3.29Å; L716-T718 VanDerWaalsContact O-N 3.08Å; T718-R720 PolarHBondContact O-N 2.94Å; T718-R720 VanDerWaalsContact O-N 3.12Å
719	K	82.3	Confident	83.4	Confident	62 Å²	62	26.7 Å²	26.7	27%	0.27	13%	0.13	S	C	.	.	S	Bend	trans	55.7	23.4	-172.4	-37.9	174.5	-164.7	145.2	0	114	F672 L716 P717 E772 L773 L775	F672-K719 HydrophobicContact CD2-CG 4.16Å; F672-K719 HydrophobicContact CE2-CB 4.21Å; F672-K719 HydrophobicContact CE2-CG 3.66Å; F672-K719 HydrophobicContact CZ-CB 4.28Å; F672-K719 HydrophobicContact CZ-CG 4.05Å; L716-K719 WeakPolarHBondContact O-CA 3.3Å; L716-K719 PolarHBondContact O-N 2.88Å; P717-K719 PolarHBondContact O-N 3.42Å; P717-K719 VanDerWaalsContact O-N 3.09Å; K719-E772 HydrophobicContact CB-CG 3.84Å; K719-E772 HydrophobicContact CD-CG 4.24Å; K719-E772 WeakPolarHBondContact CD-OE1 3.17Å; K719-E772 HydrophobicContact CG-CG 4.5Å; K719-E772 IonicContact NZ-OE1 2.98Å; K719-E772 PolarHBondContact NZ-OE1 3.27Å; K719-L773 WeakPolarHBondContact O-CB 3.47Å; K719-L773 PolarHBondContact O-N 2.85Å; K719-L775 HydrophobicContact CD-CD1 4.03Å; K719-L775 HydrophobicContact CD-CG 3.96Å
720	R	86.2	Confident	82.3	Confident	103 Å²	103	27.6 Å²	27.6	39%	0.389	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	148.8	177.2	-70	177.8	-175.3	-178.8	0.2	109.9	L716 T718 I769 S770	L716-R720 WeakPolarHBondContact CB-O 3.5Å; L716-R720 PolarHBondContact N-O 2.84Å; T718-R720 PolarHBondContact O-N 2.94Å; T718-R720 VanDerWaalsContact O-N 3.12Å; R720-I769 WeakPolarHBondContact CB-O 3.22Å; R720-I769 WeakPolarHBondContact CD-O 3.25Å; R720-S770 PolarHBondContact NE-O 3.5Å
721	L	89	Confident	80.4	Confident	1 Å²	1	33.9 Å²	33.9	1%	0.005	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	152.6	171.4	-70.6	-179.4	0	0	0	111.1	F665 L697 I713 Q714 L715 I769 L773 L782 I795	F665-L721 HydrophobicContact CZ-CD1 4.41Å; L697-L721 HydrophobicContact CD2-CD2 4.34Å; I713-L721 HydrophobicContact CG2-CD1 4.28Å; I713-L721 HydrophobicContact CG2-CD2 4.01Å; Q714-L721 CarbonylContact O-C 3.51Å; Q714-L721 VanDerWaalsContact O-CA 3.26Å; Q714-L721 WeakPolarHBondContact O-CA 3.4Å; Q714-L721 WeakPolarHBondContact O-CD2 3.29Å; L715-L721 HydrophobicContact CB-CD2 4.1Å; L715-L721 HydrophobicContact CD1-CD2 3.98Å; L721-I769 HydrophobicContact CB-CB 4.4Å; L721-I769 HydrophobicContact CB-CD1 3.66Å; L721-I769 HydrophobicContact CB-CG1 4.42Å; L721-I769 VanDerWaalsContact O-CB 3.23Å; L721-I769 WeakPolarHBondContact O-CB 3.38Å; L721-I769 WeakPolarHBondContact O-CG1 3.42Å; L721-I769 PolarHBondContact O-N 2.96Å; L721-L773 HydrophobicContact CD1-CD1 4.03Å; L721-L773 HydrophobicContact CD2-CD1 4.07Å; L721-L773 HydrophobicContact CG-CD1 3.74Å; L721-L782 HydrophobicContact CD1-CD1 3.84Å; L721-I795 HydrophobicContact CD1-CD1 3.74Å; L721-I795 HydrophobicContact CD1-CG1 4.32Å
722	K	87.4	Confident	78	Confident	42 Å²	42	42.4 Å²	42.4	18%	0.183	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	123.1	174.7	-176.9	177.5	-161.9	120.6	0	108.5	I713 Q714 L716 M766 Y767 D768	I713-K722 CarbonylContact C-O 3.52Å; I713-K722 WeakPolarHBondContact CA-O 3.49Å; Q714-K722 HydrophobicContact CB-CB 4.3Å; Q714-K722 PolarHBondContact N-O 3.46Å; Q714-K722 PolarHBondContact O-N 3.25Å; L716-K722 HydrophobicContact CD1-CB 4.1Å; L716-K722 HydrophobicContact CD1-CD 4.38Å; L716-K722 HydrophobicContact CD2-CB 4.25Å; L716-K722 HydrophobicContact CD2-CD 4.15Å; L716-K722 HydrophobicContact CG-CB 4.1Å; K722-M766 HydrophobicContact CD-CE 3.48Å; K722-M766 VanDerWaalsContact CD-CE 3.48Å; K722-M766 HydrophobicContact CG-CE 3.7Å; K722-Y767 WeakPolarHBondContact CA-O 3.4Å; K722-D768 WeakPolarHBondContact CD-OD1 3.46Å; K722-D768 WeakPolarHBondContact CE-OD1 3.39Å; K722-D768 WeakPolarHBondContact CG-OD1 3.49Å; K722-D768 IonicContact NZ-OD1 3.26Å; K722-D768 PolarHBondContact NZ-OD1 3.44Å; K722-D768 IonicContact NZ-OD2 3.48Å; K722-D768 PolarHBondContact NZ-OD2 3.09Å
723	L	91	Very high	75.7	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	124.2	174.4	179.2	66.1	0	0	0	108.9	I711 I713 M766 Y767 L784 I791 L793 A801 I803	I711-L723 HydrophobicContact CG2-CD1 4.03Å; I713-L723 HydrophobicContact CG1-CD1 3.88Å; L723-M766 CarbonylContact O-C 3.58Å; L723-M766 WeakPolarHBondContact O-CA 3.39Å; L723-Y767 PolarHBondContact N-O 2.83Å; L723-Y767 PolarHBondContact O-N 2.88Å; L723-L784 HydrophobicContact CD1-CD1 4.11Å; L723-I791 HydrophobicContact CD1-CG2 4.46Å; L723-I791 HydrophobicContact CD2-CG2 4.23Å; L723-L793 HydrophobicContact CB-CD2 4.1Å; L723-L793 HydrophobicContact CD1-CD2 4.41Å; L723-L793 HydrophobicContact CD2-CB 4.04Å; L723-L793 HydrophobicContact CD2-CD2 4.45Å; L723-A801 HydrophobicContact CD2-CB 4.01Å; L723-I803 HydrophobicContact CD2-CD1 3.72Å; L723-I803 HydrophobicContact CD2-CG1 3.8Å; L723-I803 HydrophobicContact CG-CD1 3.76Å; L723-I803 HydrophobicContact CG-CG1 4.4Å
724	G	85.3	Confident	72.8	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	142.1	175.7	0	0	0	0	0	112	I711 L712 Q765 M766	I711-G724 WeakPolarHBondContact CA-O 3.38Å; L712-G724 WeakPolarHBondContact CD2-O 3.02Å; L712-G724 PolarHBondContact N-O 3.05Å; L712-G724 PolarHBondContact O-N 3.3Å; G724-Q765 CarbonylContact C-O 3.52Å; G724-Q765 WeakPolarHBondContact CA-O 3.19Å; G724-M766 WeakPolarHBondContact CA-SD 3.47Å
725	L	85.7	Confident	70.4	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	125.9	169.7	177.2	61.8	0	0	0	109.3	N710 I711 Y727 Q765 I791 I803 F805	N710-L725 WeakPolarHBondContact O-CA 3.32Å; I711-L725 HydrophobicContact CG1-CD1 3.97Å; L725-Y727 HydrophobicContact CD1-CE2 4.45Å; L725-Y727 HydrophobicContact CD2-CE2 3.84Å; L725-Y727 WeakPolarHBondContact CD2-OH 3.27Å; L725-Y727 HydrophobicContact CG-CE2 3.68Å; L725-Q765 HydrophobicContact CB-CB 4.41Å; L725-Q765 PolarHBondContact N-O 3.27Å; L725-Q765 PolarHBondContact O-N 3.27Å; L725-I791 HydrophobicContact CD1-CD1 3.76Å; L725-I791 HydrophobicContact CD2-CD1 3.9Å; L725-I791 HydrophobicContact CG-CD1 4.37Å; L725-I803 HydrophobicContact CB-CD1 3.99Å; L725-I803 HydrophobicContact CB-CG2 4.31Å; L725-I803 HydrophobicContact CD2-CB 4.48Å; L725-I803 HydrophobicContact CD2-CG2 3.63Å; L725-F805 HydrophobicContact CD2-CD1 4.03Å
726	E	81.2	Confident	67.7	Low	1 Å²	1	64.8 Å²	64.8	1%	0.005	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	142	-173.8	-59.2	174.9	174.2	0	0	110.4	Q709 N710 L712 I764 R828	Q709-E726 CarbonylContact C-O 3.31Å; Q709-E726 VanDerWaalsContact CA-O 3.25Å; Q709-E726 WeakPolarHBondContact CA-O 3.47Å; N710-E726 HydrophobicContact CB-CB 4.21Å; N710-E726 PolarHBondContact N-O 3.25Å; N710-E726 PolarHBondContact O-N 3.35Å; L712-E726 VanDerWaalsContact CD2-CD 3.45Å; L712-E726 HydrophobicContact CD2-CG 3.8Å; L712-E726 WeakPolarHBondContact CD2-OE1 3.49Å; E726-I764 HydrophobicContact CG-CG1 4.3Å; E726-I764 HydrophobicContact CG-CG2 4.14Å; E726-R828 IonicContact OE1-CZ 3.64Å; E726-R828 IonicContact OE1-NH1 3.47Å; E726-R828 PolarHBondContact OE1-NH1 3.26Å; E726-R828 IonicContact OE1-NH2 3.2Å; E726-R828 IonicContact OE2-CZ 2.63Å; E726-R828 IonicContact OE2-NH1 3.82Å; E726-R828 PolarHBondContact OE2-NH1 3.08Å
727	Y	76.4	Confident	65.5	Low	39 Å²	39	68.3 Å²	68.3	15%	0.153	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	138.5	-179.9	-61.4	-96.3	0	0	0	111.2	I708 Q709 L725 L763 F805	I708-Y727 CarbonylContact O-C 3.57Å; I708-Y727 WeakPolarHBondContact O-CA 3.45Å; Q709-Y727 HydrophobicContact CG-CD1 3.61Å; Q709-Y727 HydrophobicContact CG-CE1 3.66Å; L725-Y727 HydrophobicContact CD1-CE2 4.45Å; L725-Y727 HydrophobicContact CD2-CE2 3.84Å; L725-Y727 WeakPolarHBondContact CD2-OH 3.27Å; L725-Y727 HydrophobicContact CG-CE2 3.68Å; Y727-L763 HydrophobicContact CD2-CB 4.15Å; Y727-L763 PolarHBondContact N-O 2.91Å; Y727-F805 WeakPolarHBondContact OH-CB 3.19Å
728	V	71.5	Confident	63.5	Low	34 Å²	34	70.1 Å²	70.1	21%	0.206	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	134.4	173	-173	0	0	0	0	108.3	K707 I708 M762	K707-V728 CarbonylContact C-O 3.44Å; K707-V728 VanDerWaalsContact CA-O 3.27Å; K707-V728 WeakPolarHBondContact CA-O 3.45Å; I708-V728 HydrophobicContact CB-CB 4.27Å; I708-V728 PolarHBondContact N-O 3.04Å; I708-V728 PolarHBondContact O-N 3.48Å; V728-M762 HydrophobicContact CG2-CE 4.16Å
729	E	64.7	Low	61.4	Low	112 Å²	112	73.5 Å²	73.5	52%	0.523	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	136.5	173.4	-67.2	180	163.8	0	0	110.1	H706	H706-E729 CarbonylContact O-C 3.56Å; H706-E729 WeakPolarHBondContact O-CA 3.27Å
730	T	59	Low	59.3	Low	20 Å²	20	75.4 Å²	75.4	12%	0.123	39%	0.386	C	S	.	.			trans	-92.3	-8.2	-174.9	58.7	0	0	0	0	114.2	V705 H706 K707 I708 K732 Y733	V705-T730 PolarHBondContact O-OG1 3.09Å; H706-T730 WeakPolarHBondContact CA-OG1 3.23Å; H706-T730 PolarHBondContact N-OG1 3.02Å; H706-T730 PolarHBondContact O-N 3.23Å; H706-T730 PolarHBondContact O-OG1 2.95Å; H706-T730 VanDerWaalsContact O-OG1 3.12Å; K707-T730 PolarHBondContact N-OG1 3.14Å; I708-T730 HydrophobicContact CD1-CG2 3.97Å; I708-T730 HydrophobicContact CG1-CG2 3.72Å; T730-K732 PolarHBondContact O-N 2.87Å; T730-Y733 WeakPolarHBondContact O-CB 3.37Å; T730-Y733 PolarHBondContact O-N 2.88Å
731	E	47	Very low	56.9	Low	146 Å²	146	75.5 Å²	75.5	68%	0.682	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	2.5	-168.5	-74.4	-156.6	159.3	0	0	116.7	H706	H706-E731 HydrophobicContact CB-CG 4.48Å; H706-E731 IonicContact CE1-OE1 3.54Å; H706-E731 PolarHBondContact CE1-OE1 2.91Å; H706-E731 IonicContact CG-OE1 2.59Å; H706-E731 WeakPolarHBondContact ND1-CG 2.93Å; H706-E731 IonicContact ND1-OE1 2.73Å; H706-E731 PolarHBondContact ND1-OE1 3.03Å
732	K	40.4	Very low	54.2	Low	181 Å²	181	82.5 Å²	82.5	79%	0.787	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-138.4	34.3	167.4	-71.8	-171.6	177.1	174.8	0	114	T730	T730-K732 PolarHBondContact O-N 2.87Å
733	Y	40.8	Very low	51.7	Low	124 Å²	124	89.1 Å²	89.1	49%	0.486	47%	0.468	S	S	.	.			trans	-100.2	87.5	-176.4	-148.9	-90.3	0	0	0	112.3	T730	T730-Y733 WeakPolarHBondContact O-CB 3.37Å; T730-Y733 PolarHBondContact O-N 2.88Å
734	I	31.4	Very low	49.3	Very low	155 Å²	155	94.8 Å²	94.8	80%	0.795	51%	0.507	S	S	*	.			trans	-121.6	81.7	157.1	-52.8	175.5	0	0	0	107.2	T736	I734-T736 HydrophobicContact CG2-CG2 4.22Å
735	V	37	Very low	47.4	Very low	106 Å²	106	97.5 Å²	97.5	64%	0.642	52%	0.521	S	S	*	.			trans	-115.6	97.3	150.7	-177.3	0	0	0	0	104.8	S737	V735-S737 PolarHBondContact O-N 3.13Å
736	T	31.1	Very low	45.4	Very low	89 Å²	89	102.7 Å²	102.7	55%	0.546	55%	0.549	S	S	.	.			trans	-52.7	123.5	177	40	0	0	0	0	109.5	I734 S738	I734-T736 HydrophobicContact CG2-CG2 4.22Å; T736-S738 PolarHBondContact O-N 2.63Å
737	S	36.6	Very low	43.8	Very low	105 Å²	105	107.3 Å²	107.3	73%	0.734	57%	0.574	S	S	*	*	G	3₁₀ helix	trans	-64.3	9	177	60.9	0	0	0	0	114.3	V735	V735-S737 PolarHBondContact O-N 3.13Å
738	S	33.8	Very low	42.5	Very low	77 Å²	77	109.8 Å²	109.8	54%	0.538	59%	0.59	S	S	.	*	G	3₁₀ helix	trans	-83.2	-13.6	-174.2	55.6	0	0	0	0	114.4	T736	T736-S738 PolarHBondContact O-N 2.63Å
739	N	31.5	Very low	41.5	Very low	146 Å²	146	113.2 Å²	113.2	78%	0.781	60%	0.604	S	S	*	*	G	3₁₀ helix	trans	-102.9	15.2	179.7	-73	7.8	0	0	0	114
740	L	38.6	Very low	40.8	Very low	102 Å²	102	109.5 Å²	109.5	53%	0.534	59%	0.587	S	S	.	*			trans	-99.6	8.9	-177.7	-79.9	156.8	0	0	0	114.2	L745	L740-L745 HydrophobicContact CD2-CD1 4.48Å
741	T	34.7	Very low	40.2	Very low	106 Å²	106	111.4 Å²	111.4	65%	0.65	59%	0.592	S	S	*	*			trans	-94.3	117.1	172.1	52.5	0	0	0	0	109.4
742	N	32.9	Very low	40.4	Very low	147 Å²	147	111.4 Å²	111.4	79%	0.786	59%	0.59	S	S	*	*	S	Bend	trans	107.8	124.7	163.9	-54.4	-26.1	0	0	0	116
743	Q	35	Very low	40.9	Very low	182 Å²	182	105.1 Å²	105.1	85%	0.85	56%	0.564	S	S	*	*	S	Bend	trans	74.9	148.1	162.2	-60.7	177.7	-9	0	0	117.2	L745	Q743-L745 PolarHBondContact O-N 3.3Å
744	S	41.4	Very low	41.4	Very low	119 Å²	119	99.2 Å²	99.2	83%	0.832	54%	0.541	S	S	*	.			trans	-54.8	105.8	-174.9	50.2	0	0	0	0	111.8	N746	S744-N746 PolarHBondContact O-N 3.25Å
745	L	44.1	Very low	42.2	Very low	56 Å²	56	99.2 Å²	99.2	29%	0.293	53%	0.531	S	S	.	.			trans	-59.5	126.3	172.3	-71.1	147.5	0	0	0	109.7	L740 Q743 E749 L750 I753 T823	L740-L745 HydrophobicContact CD2-CD1 4.48Å; Q743-L745 PolarHBondContact O-N 3.3Å; L745-E749 HydrophobicContact CD2-CB 4.08Å; L745-E749 WeakPolarHBondContact CD2-OE2 3.24Å; L745-L750 HydrophobicContact CB-CD2 3.88Å; L745-L750 HydrophobicContact CB-CG 4Å; L745-L750 HydrophobicContact CD1-CD2 4Å; L745-L750 HydrophobicContact CG-CD2 4.47Å; L745-I753 HydrophobicContact CD2-CD1 4.35Å; L745-T823 HydrophobicContact CD1-CG2 4.16Å
746	N	45.1	Very low	42.9	Very low	110 Å²	110	99.8 Å²	99.8	59%	0.588	53%	0.531	S	S	*	.			trans	-70.3	153.1	171.1	-171	1	0	0	0	110	S744 D748 E749 L750	S744-N746 PolarHBondContact O-N 3.25Å; N746-D748 PolarHBondContact O-N 2.94Å; N746-D748 VanDerWaalsContact O-N 3.12Å; N746-E749 PolarHBondContact O-N 3.37Å; N746-L750 PolarHBondContact O-N 2.7Å; N746-L750 VanDerWaalsContact O-N 3.16Å
747	N	47.4	Very low	43.9	Very low	98 Å²	98	98 Å²	98	52%	0.524	52%	0.516	S	S	.	.	H	α-helix	trans	-50.2	-38.3	179.8	-78.9	-19.3	0	0	0	112.5	E749 L750 W751	N747-E749 PolarHBondContact O-N 3.08Å; N747-L750 CarbonylContact O-C 3.51Å; N747-L750 WeakPolarHBondContact O-CB 3.24Å; N747-L750 PolarHBondContact O-N 2.8Å; N747-W751 WeakPolarHBondContact O-CB 3.42Å; N747-W751 PolarHBondContact O-N 2.56Å
748	D	48.2	Very low	44.4	Very low	90 Å²	90	97.1 Å²	97.1	48%	0.481	50%	0.499	S	S	.	.	H	α-helix	trans	-66.1	-33.1	178.3	-85.8	-9.4	0	0	0	114.1	N746 W751 K752	N746-D748 PolarHBondContact O-N 2.94Å; N746-D748 VanDerWaalsContact O-N 3.12Å; D748-W751 WeakPolarHBondContact O-CB 3.33Å; D748-W751 PolarHBondContact O-N 2.77Å; D748-K752 PolarHBondContact O-N 2.8Å; D748-K752 VanDerWaalsContact O-N 3.11Å
749	E	50.9	Low	44.9	Very low	107 Å²	107	98 Å²	98	50%	0.5	51%	0.506	S	S	.	.	H	α-helix	trans	-73.1	-39.1	173.2	-67.3	-149.6	139.2	0	0	111.1	L745 N746 N747 W751 K752 I753	L745-E749 HydrophobicContact CD2-CB 4.08Å; L745-E749 WeakPolarHBondContact CD2-OE2 3.24Å; N746-E749 PolarHBondContact O-N 3.37Å; N747-E749 PolarHBondContact O-N 3.08Å; E749-W751 VanDerWaalsContact C-N 3.27Å; E749-W751 PolarHBondContact O-N 2.76Å; E749-K752 PolarHBondContact O-N 3.12Å; E749-I753 VanDerWaalsContact O-CG1 3.3Å; E749-I753 WeakPolarHBondContact O-CG1 3.31Å; E749-I753 PolarHBondContact O-N 2.72Å
750	L	49.3	Very low	45.8	Very low	34 Å²	34	95 Å²	95	18%	0.178	49%	0.487	C	S	.	.	H	α-helix	trans	-60.5	-37.9	171.4	-62.7	171.8	0	0	0	111.4	L745 N746 N747 I753 G754 A826	L745-L750 HydrophobicContact CB-CD2 3.88Å; L745-L750 HydrophobicContact CB-CG 4Å; L745-L750 HydrophobicContact CD1-CD2 4Å; L745-L750 HydrophobicContact CG-CD2 4.47Å; N746-L750 PolarHBondContact O-N 2.7Å; N746-L750 VanDerWaalsContact O-N 3.16Å; N747-L750 CarbonylContact O-C 3.51Å; N747-L750 WeakPolarHBondContact O-CB 3.24Å; N747-L750 PolarHBondContact O-N 2.8Å; L750-I753 PolarHBondContact O-N 3.2Å; L750-G754 PolarHBondContact O-N 3.25Å; L750-A826 HydrophobicContact CB-CB 4.47Å; L750-A826 HydrophobicContact CD1-CB 3.87Å; L750-A826 HydrophobicContact CD2-CB 3.78Å; L750-A826 HydrophobicContact CG-CB 4.25Å
751	W	48.1	Very low	46.1	Very low	60 Å²	60	101.9 Å²	101.9	23%	0.227	51%	0.506	C	S	.	.	H	α-helix	trans	-60.6	-46.5	173.5	-86.2	112.2	0	0	0	112.3	N747 D748 E749 I753 G754 R755 Y830	N747-W751 WeakPolarHBondContact O-CB 3.42Å; N747-W751 PolarHBondContact O-N 2.56Å; D748-W751 WeakPolarHBondContact O-CB 3.33Å; D748-W751 PolarHBondContact O-N 2.77Å; E749-W751 VanDerWaalsContact C-N 3.27Å; E749-W751 PolarHBondContact O-N 2.76Å; W751-I753 VanDerWaalsContact C-N 3.35Å; W751-G754 PolarHBondContact O-N 2.93Å; W751-R755 WeakPolarHBondContact O-CB 3.46Å; W751-R755 PolarHBondContact O-N 3.3Å; W751-Y830 HydrophobicContact CD2-CD2 4.38Å; W751-Y830 HydrophobicContact CD2-CE2 4.46Å; W751-Y830 AromaticContact CE3-CD2 3.58Å; W751-Y830 HydrophobicContact CE3-CD2 3.58Å; W751-Y830 AromaticContact CE3-CE2 3.34Å; W751-Y830 HydrophobicContact CE3-CE2 3.34Å; W751-Y830 AromaticContact CZ3-CD2 3.65Å; W751-Y830 HydrophobicContact CZ3-CD2 3.65Å; W751-Y830 AromaticContact CZ3-CE2 3.41Å; W751-Y830 HydrophobicContact CZ3-CE2 3.41Å; W751-Y830 VanDerWaalsContact CZ3-CE2 3.41Å
752	K	49.5	Very low	47.3	Very low	145 Å²	145	99.3 Å²	99.3	63%	0.63	49%	0.487	S	S	*	.	H	α-helix	trans	-62.3	-42.3	177	-73.6	176.1	-177	172.3	0	111.6	D748 E749 R755 N756	D748-K752 PolarHBondContact O-N 2.8Å; D748-K752 VanDerWaalsContact O-N 3.11Å; E749-K752 PolarHBondContact O-N 3.12Å; K752-R755 PolarHBondContact O-N 3.45Å; K752-N756 PolarHBondContact O-N 3.46Å; K752-N756 PolarHBondContact O-ND2 2.77Å
753	I	50.9	Low	48.5	Very low	49 Å²	49	97.2 Å²	97.2	25%	0.251	48%	0.475	S	S	.	.	H	α-helix	trans	-61.3	-49	177.4	-67.3	165.4	0	0	0	110.4	L745 E749 L750 W751 Q827	L745-I753 HydrophobicContact CD2-CD1 4.35Å; E749-I753 VanDerWaalsContact O-CG1 3.3Å; E749-I753 WeakPolarHBondContact O-CG1 3.31Å; E749-I753 PolarHBondContact O-N 2.72Å; L750-I753 PolarHBondContact O-N 3.2Å; W751-I753 VanDerWaalsContact C-N 3.35Å; I753-Q827 HydrophobicContact CG2-CG 3.98Å
754	G	51.4	Low	50.1	Low	0 Å²	0	92 Å²	92	0%	0	45%	0.452	C	S	.	.	H	α-helix	trans	-61.7	-44.9	179.5	0	0	0	0	0	112.9	L750 W751 N756 Q757 F758 Y830	L750-G754 PolarHBondContact O-N 3.25Å; W751-G754 PolarHBondContact O-N 2.93Å; G754-N756 VanDerWaalsContact C-N 3.32Å; G754-N756 PolarHBondContact O-N 3.49Å; G754-Q757 WeakPolarHBondContact O-CB 3.42Å; G754-Q757 PolarHBondContact O-N 3.26Å; G754-F758 PolarHBondContact O-N 2.71Å; G754-Y830 VanDerWaalsContact C-CZ 3.46Å; G754-Y830 WeakPolarHBondContact O-CD1 3.45Å; G754-Y830 WeakPolarHBondContact O-CE1 3.37Å
755	R	49.6	Very low	51.8	Low	155 Å²	155	88.9 Å²	88.9	59%	0.585	43%	0.425	S	S	*	.	H	α-helix	trans	-61.7	-39.4	-177.1	-159.7	-166.1	-77.4	-178.9	-3.9	112.8	W751 K752 Q757 F758 Y830	W751-R755 WeakPolarHBondContact O-CB 3.46Å; W751-R755 PolarHBondContact O-N 3.3Å; K752-R755 PolarHBondContact O-N 3.45Å; R755-Q757 PolarHBondContact O-N 2.92Å; R755-F758 PolarHBondContact O-N 3.4Å; R755-Y830 VanDerWaalsContact CA-CZ 3.45Å; R755-Y830 WeakPolarHBondContact CA-OH 3.47Å; R755-Y830 HydrophobicContact CB-CE2 4.48Å; R755-Y830 WeakPolarHBondContact CB-OH 3.26Å; R755-Y830 WeakPolarHBondContact CG-OH 3.33Å; R755-Y830 VanDerWaalsContact N-CZ 3.29Å
756	N	50.3	Low	53.4	Low	119 Å²	119	89.2 Å²	89.2	64%	0.636	43%	0.425	S	S	*	.	H	α-helix	trans	-65.1	-22.3	175.8	-69.6	-16	0	0	0	112.9	K752 G754	K752-N756 PolarHBondContact O-N 3.46Å; K752-N756 PolarHBondContact O-ND2 2.77Å; G754-N756 VanDerWaalsContact C-N 3.32Å; G754-N756 PolarHBondContact O-N 3.49Å
757	Q	51.9	Low	55.1	Low	51 Å²	51	88.6 Å²	88.6	24%	0.238	42%	0.416	C	S	.	.	H	α-helix	trans	-86.2	-27.6	177.9	-68.8	-167.6	-26.3	0	0	114.1	G754 R755	G754-Q757 WeakPolarHBondContact O-CB 3.42Å; G754-Q757 PolarHBondContact O-N 3.26Å; R755-Q757 PolarHBondContact O-N 2.92Å
758	F	48.7	Very low	56.7	Low	87 Å²	87	88.8 Å²	88.8	38%	0.382	42%	0.417	S	S	.	.	H	α-helix	trans	-77.7	-19.5	-174.1	-169.8	-97.3	0	0	0	114.3	G754 R755 Q760 Y830 L831 M834	G754-F758 PolarHBondContact O-N 2.71Å; R755-F758 PolarHBondContact O-N 3.4Å; F758-Q760 PolarHBondContact O-N 3.36Å; F758-Y830 HydrophobicContact CB-CE1 4.06Å; F758-L831 HydrophobicContact CD2-CD2 4.21Å; F758-M834 HydrophobicContact CD1-CB 4.31Å; F758-M834 HydrophobicContact CD1-CE 4.02Å; F758-M834 HydrophobicContact CD2-CB 3.49Å; F758-M834 VanDerWaalsContact CD2-CB 3.49Å; F758-M834 HydrophobicContact CD2-CG 4.25Å; F758-M834 HydrophobicContact CE1-CB 4.22Å; F758-M834 HydrophobicContact CE1-CE 4.22Å; F758-M834 HydrophobicContact CE2-CB 3.38Å; F758-M834 HydrophobicContact CG-CB 3.97Å; F758-M834 HydrophobicContact CG-CE 4.46Å; F758-M834 HydrophobicContact CG-CG 4.35Å; F758-M834 HydrophobicContact CZ-CB 3.77Å
759	S	44.3	Very low	58.4	Low	96 Å²	96	84.8 Å²	84.8	67%	0.671	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	6.9	-171.6	52.3	0	0	0	0	115.8
760	Q	49.9	Very low	59.7	Low	81 Å²	81	84.4 Å²	84.4	38%	0.379	40%	0.404	S	S	.	.	S	Bend	trans	-136.4	136.8	179.6	-62.6	-176.5	-3.8	0	0	111.3	F758 M762	F758-Q760 PolarHBondContact O-N 3.36Å; Q760-M762 PolarHBondContact O-N 3.24Å
761	R	44.3	Very low	61.2	Low	247 Å²	247	85.8 Å²	85.8	93%	0.932	41%	0.41	S	S	*	.			trans	-51.6	95.6	-167.5	-69.8	179.5	175.6	-177.5	-1.4	112.4	L763	R761-L763 PolarHBondContact O-N 2.76Å
762	M	59.6	Low	62.8	Low	53 Å²	53	87.9 Å²	87.9	26%	0.261	42%	0.422	S	S	.	.			trans	-80.2	110.4	170.5	-169.5	-179.3	-73	0	0	108.8	V728 Q760 I764 L831	V728-M762 HydrophobicContact CG2-CE 4.16Å; Q760-M762 PolarHBondContact O-N 3.24Å; M762-I764 HydrophobicContact CB-CG1 4.49Å; M762-I764 HydrophobicContact CG-CD1 4.2Å; M762-I764 HydrophobicContact CG-CG1 3.69Å; M762-I764 HydrophobicContact SD-CD1 3.73Å; M762-I764 HydrophobicContact SD-CG1 3.83Å; M762-L831 HydrophobicContact CE-CD1 3.78Å; M762-L831 HydrophobicContact CE-CD2 3.8Å; M762-L831 HydrophobicContact CE-CG 4.39Å; M762-L831 HydrophobicContact SD-CD1 4.48Å
763	L	58.7	Low	64.5	Low	102 Å²	102	81 Å²	81	53%	0.534	39%	0.392	S	S	.	.			trans	-80.3	120.8	165.1	-158.3	97.6	0	0	0	107.4	Y727 R761 Q765	Y727-L763 HydrophobicContact CD2-CB 4.15Å; Y727-L763 PolarHBondContact N-O 2.91Å; R761-L763 PolarHBondContact O-N 2.76Å; L763-Q765 HydrophobicContact CD2-CG 4.16Å
764	I	68.6	Low	66	Low	73 Å²	73	84.1 Å²	84.1	37%	0.374	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	117.5	176.9	-53.8	179.4	0	0	0	107.3	E726 M762 M766	E726-I764 HydrophobicContact CG-CG1 4.3Å; E726-I764 HydrophobicContact CG-CG2 4.14Å; M762-I764 HydrophobicContact CB-CG1 4.49Å; M762-I764 HydrophobicContact CG-CD1 4.2Å; M762-I764 HydrophobicContact CG-CG1 3.69Å; M762-I764 HydrophobicContact SD-CD1 3.73Å; M762-I764 HydrophobicContact SD-CG1 3.83Å; I764-M766 HydrophobicContact CG2-CG 3.58Å; I764-M766 HydrophobicContact CG2-SD 3.47Å; I764-M766 WeakPolarHBondContact CG2-SD 3.29Å
765	Q	76.2	Confident	67.3	Low	54 Å²	54	86.4 Å²	86.4	25%	0.252	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	115.8	169.7	-71.8	178.4	-28.1	0	0	108.3	G724 L725 L763 Y767 I803	G724-Q765 CarbonylContact C-O 3.52Å; G724-Q765 WeakPolarHBondContact CA-O 3.19Å; L725-Q765 HydrophobicContact CB-CB 4.41Å; L725-Q765 PolarHBondContact N-O 3.27Å; L725-Q765 PolarHBondContact O-N 3.27Å; L763-Q765 HydrophobicContact CD2-CG 4.16Å; Q765-Y767 HydrophobicContact CB-CE2 4.31Å; Q765-I803 HydrophobicContact CB-CG2 4.23Å
766	M	78.5	Confident	68.5	Low	62 Å²	62	79.5 Å²	79.5	31%	0.305	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	134.4	178.6	-58.8	-55.6	-72.6	0	0	110.4	L712 K722 L723 G724 I764	L712-M766 HydrophobicContact CD1-CE 4.28Å; K722-M766 HydrophobicContact CD-CE 3.48Å; K722-M766 VanDerWaalsContact CD-CE 3.48Å; K722-M766 HydrophobicContact CG-CE 3.7Å; L723-M766 CarbonylContact O-C 3.58Å; L723-M766 WeakPolarHBondContact O-CA 3.39Å; G724-M766 WeakPolarHBondContact CA-SD 3.47Å; I764-M766 HydrophobicContact CG2-CG 3.58Å; I764-M766 HydrophobicContact CG2-SD 3.47Å; I764-M766 WeakPolarHBondContact CG2-SD 3.29Å
767	Y	81.7	Confident	69.7	Low	98 Å²	98	80.9 Å²	80.9	38%	0.384	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	113	176.2	-73	-99.2	0	0	0	108.8	K722 L723 Q765 I803	K722-Y767 WeakPolarHBondContact CA-O 3.4Å; L723-Y767 PolarHBondContact N-O 2.83Å; L723-Y767 PolarHBondContact O-N 2.88Å; Q765-Y767 HydrophobicContact CB-CE2 4.31Å; Y767-I803 HydrophobicContact CD2-CD1 3.44Å; Y767-I803 VanDerWaalsContact CD2-CD1 3.44Å; Y767-I803 HydrophobicContact CD2-CG1 3.47Å; Y767-I803 VanDerWaalsContact CD2-CG1 3.47Å; Y767-I803 HydrophobicContact CE2-CB 4.27Å; Y767-I803 HydrophobicContact CE2-CD1 3.8Å; Y767-I803 HydrophobicContact CE2-CG1 3.52Å; Y767-I803 HydrophobicContact CE2-CG2 4.16Å; Y767-I803 HydrophobicContact CG-CD1 4.45Å; Y767-I803 HydrophobicContact CG-CG1 4.32Å
768	D	80.7	Confident	71.4	Confident	102 Å²	102	81.8 Å²	81.8	55%	0.545	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	124.1	172	-69	-36.6	0	0	0	108.8	K722	K722-D768 WeakPolarHBondContact CD-OD1 3.46Å; K722-D768 WeakPolarHBondContact CE-OD1 3.39Å; K722-D768 WeakPolarHBondContact CG-OD1 3.49Å; K722-D768 IonicContact NZ-OD1 3.26Å; K722-D768 PolarHBondContact NZ-OD1 3.44Å; K722-D768 IonicContact NZ-OD2 3.48Å; K722-D768 PolarHBondContact NZ-OD2 3.09Å
769	I	83.5	Confident	73.5	Confident	5 Å²	5	81.8 Å²	81.8	3%	0.026	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	129.4	179.2	-58.2	173.2	0	0	0	107.8	R720 L721 E771 L793 I795 V800 A801	R720-I769 WeakPolarHBondContact CB-O 3.22Å; R720-I769 WeakPolarHBondContact CD-O 3.25Å; L721-I769 HydrophobicContact CB-CB 4.4Å; L721-I769 HydrophobicContact CB-CD1 3.66Å; L721-I769 HydrophobicContact CB-CG1 4.42Å; L721-I769 VanDerWaalsContact O-CB 3.23Å; L721-I769 WeakPolarHBondContact O-CB 3.38Å; L721-I769 WeakPolarHBondContact O-CG1 3.42Å; L721-I769 PolarHBondContact O-N 2.96Å; I769-E771 VanDerWaalsContact C-N 3.31Å; I769-E771 HydrophobicContact CG2-CB 3.99Å; I769-E771 PolarHBondContact O-N 3.26Å; I769-L793 HydrophobicContact CD1-CD2 3.3Å; I769-L793 HydrophobicContact CD1-CG 4.26Å; I769-I795 HydrophobicContact CD1-CD1 4.15Å; I769-I795 HydrophobicContact CG2-CD1 4.09Å; I769-V800 HydrophobicContact CD1-CG2 3.78Å; I769-V800 HydrophobicContact CG1-CG2 4.38Å; I769-V800 HydrophobicContact CG2-CB 3.8Å; I769-V800 HydrophobicContact CG2-CG1 4.28Å; I769-V800 HydrophobicContact CG2-CG2 4.13Å; I769-A801 HydrophobicContact CG1-CB 4.37Å
770	S	78.1	Confident	75.8	Confident	99 Å²	99	77.6 Å²	77.6	69%	0.692	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.7	-27.3	-177	49.4	0	0	0	0	113.4	R720 E772	R720-S770 PolarHBondContact NE-O 3.5Å; S770-E772 PolarHBondContact O-N 3.49Å
771	E	80.6	Confident	77.9	Confident	64 Å²	64	77.3 Å²	77.3	30%	0.299	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	120.4	-179.2	-166.7	176.1	174.9	0	0	111.4	I769 V800	I769-E771 VanDerWaalsContact C-N 3.31Å; I769-E771 HydrophobicContact CG2-CB 3.99Å; I769-E771 PolarHBondContact O-N 3.26Å; E771-V800 WeakPolarHBondContact OE2-CG1 2.85Å
772	E	82.2	Confident	80.3	Confident	104 Å²	104	65.6 Å²	65.6	49%	0.486	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	129.5	173.7	-169.5	176.5	160.9	0	0	109.3	K719 S770	K719-E772 HydrophobicContact CB-CG 3.84Å; K719-E772 HydrophobicContact CD-CG 4.24Å; K719-E772 WeakPolarHBondContact CD-OE1 3.17Å; K719-E772 HydrophobicContact CG-CG 4.5Å; K719-E772 IonicContact NZ-OE1 2.98Å; K719-E772 PolarHBondContact NZ-OE1 3.27Å; S770-E772 PolarHBondContact O-N 3.49Å
773	L	84.2	Confident	82	Confident	1 Å²	1	65.6 Å²	65.6	1%	0.005	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-85.8	136.9	178.3	-61.5	178.3	0	0	0	111.2	F665 L667 L715 K719 L721 H780 I795	F665-L773 HydrophobicContact CE2-CD1 3.88Å; F665-L773 HydrophobicContact CZ-CD1 3.65Å; L667-L773 HydrophobicContact CD1-CB 3.69Å; L667-L773 HydrophobicContact CD1-CD1 4.08Å; L715-L773 HydrophobicContact CD1-CD1 3.96Å; K719-L773 WeakPolarHBondContact O-CB 3.47Å; K719-L773 PolarHBondContact O-N 2.85Å; L721-L773 HydrophobicContact CD1-CD1 4.03Å; L721-L773 HydrophobicContact CD2-CD1 4.07Å; L721-L773 HydrophobicContact CG-CD1 3.74Å; L773-H780 HydrophobicContact CD2-CB 4.4Å; L773-I795 HydrophobicContact CD2-CG2 4.3Å
774	E	84	Confident	83.6	Confident	113 Å²	113	61 Å²	61	53%	0.528	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-71.7	144.6	174.1	-67.4	176.2	154	0	0	111.7	D778 H780	E774-D778 HydrophobicContact CB-CB 4.19Å; E774-D778 VanDerWaalsContact OE2-OD2 3.12Å; E774-H780 PolarHBondContact N-NE2 3.36Å; E774-H780 PolarHBondContact O-NE2 2.95Å
775	L	78.4	Confident	84.7	Confident	48 Å²	48	58.7 Å²	58.7	25%	0.251	29%	0.29	S	S	.	.	B	Isolated β-bridge	trans	-95.4	147.9	179.5	-72.7	177.3	0	0	0	111.5	L667 F672 K719 H777	L667-L775 HydrophobicContact CB-CD2 3.61Å; L667-L775 HydrophobicContact CD1-CD2 4Å; L667-L775 HydrophobicContact CG-CD2 4.42Å; F672-L775 HydrophobicContact CD2-CD1 4.12Å; F672-L775 HydrophobicContact CD2-CD2 3.91Å; F672-L775 HydrophobicContact CE2-CD2 3.7Å; K719-L775 HydrophobicContact CD-CD1 4.03Å; K719-L775 HydrophobicContact CD-CG 3.96Å; L775-H777 PolarHBondContact O-N 2.94Å; L775-H777 VanDerWaalsContact O-N 3.1Å
776	G	73.4	Confident	85.2	Confident	11 Å²	11	56.9 Å²	56.9	11%	0.113	28%	0.282	C	S	.	.	S	Bend	trans	88.8	-70.5	162.2	0	0	0	0	0	114.2	R666 L667 N669	R666-G776 WeakPolarHBondContact CD-O 3.26Å; R666-G776 VanDerWaalsContact CG-O 3.27Å; R666-G776 WeakPolarHBondContact CG-O 3.3Å; L667-G776 VanDerWaalsContact O-CA 3.32Å; L667-G776 WeakPolarHBondContact O-CA 3.44Å; L667-G776 PolarHBondContact O-N 2.98Å; N669-G776 WeakPolarHBondContact OD1-CA 3.46Å; N669-G776 PolarHBondContact OD1-N 3.2Å
777	H	76.5	Confident	85.6	Confident	148 Å²	148	55.4 Å²	55.4	69%	0.685	28%	0.278	S	S	*	.	S	Bend	trans	-99.5	-36.4	-165.5	-68.4	-69.9	0	0	0	114.3	L775	L775-H777 PolarHBondContact O-N 2.94Å; L775-H777 VanDerWaalsContact O-N 3.1Å
778	D	87.4	Confident	85.5	Confident	70 Å²	70	52.2 Å²	52.2	37%	0.374	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-83.8	141.8	-169.1	-56.5	-65.8	0	0	0	113.7	R666 E774	R666-D778 WeakPolarHBondContact CG-O 3.35Å; E774-D778 HydrophobicContact CB-CB 4.19Å; E774-D778 VanDerWaalsContact OE2-OD2 3.12Å
779	W	92.3	Very high	85.7	Confident	87 Å²	87	54.1 Å²	54.1	33%	0.33	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-95.7	121.7	175	-72.6	95.5	0	0	0	109.9	F665 R666 C856 K858	F665-W779 VanDerWaalsContact C-CE3 3.41Å; F665-W779 WeakPolarHBondContact O-CA 3.49Å; R666-W779 HydrophobicContact CB-CD2 3.93Å; R666-W779 HydrophobicContact CB-CE3 3.72Å; R666-W779 HydrophobicContact CB-CH2 4.04Å; R666-W779 HydrophobicContact CB-CZ2 4.24Å; R666-W779 HydrophobicContact CB-CZ3 3.76Å; W779-C856 HydrophobicContact CH2-CB 3.7Å; W779-C856 HydrophobicContact CZ3-CB 4.19Å; W779-K858 HydrophobicContact CD2-CD 3.57Å; W779-K858 HydrophobicContact CD2-CG 4.14Å; W779-K858 HydrophobicContact CE3-CB 4.3Å; W779-K858 HydrophobicContact CE3-CD 3.61Å; W779-K858 VanDerWaalsContact CE3-CE 3.48Å; W779-K858 HydrophobicContact CE3-CG 3.63Å; W779-K858 HydrophobicContact CG-CD 4.22Å; W779-K858 HydrophobicContact CH2-CB 3.5Å; W779-K858 HydrophobicContact CH2-CD 3.95Å; W779-K858 HydrophobicContact CH2-CG 3.78Å; W779-K858 HydrophobicContact CZ2-CB 4.12Å; W779-K858 HydrophobicContact CZ2-CD 3.9Å; W779-K858 HydrophobicContact CZ2-CG 4.26Å; W779-K858 HydrophobicContact CZ3-CB 3.61Å; W779-K858 HydrophobicContact CZ3-CD 3.81Å; W779-K858 HydrophobicContact CZ3-CG 3.44Å; W779-K858 VanDerWaalsContact CZ3-CG 3.44Å
780	H	93.3	Very high	86	Confident	8 Å²	8	54 Å²	54	4%	0.037	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	134.2	175.2	-60.6	-65	0	0	0	109.9	E664 F665 L773 E774 N796	E664-H780 CarbonylContact C-O 3.6Å; E664-H780 WeakPolarHBondContact CA-O 3.26Å; F665-H780 HydrophobicContact CD1-CB 4.04Å; F665-H780 VanDerWaalsContact CD1-O 3.27Å; F665-H780 WeakPolarHBondContact CD1-O 3.39Å; F665-H780 HydrophobicContact CE1-CB 3.55Å; F665-H780 HydrophobicContact CE2-CB 4.33Å; F665-H780 HydrophobicContact CZ-CB 3.73Å; F665-H780 PolarHBondContact N-O 3.37Å; F665-H780 PolarHBondContact O-N 3.29Å; L773-H780 HydrophobicContact CD2-CB 4.4Å; E774-H780 PolarHBondContact N-NE2 3.36Å; E774-H780 PolarHBondContact O-NE2 2.95Å; H780-N796 WeakPolarHBondContact CA-OD1 3.36Å; H780-N796 PolarHBondContact ND1-ND2 2.78Å
781	K	94	Very high	86.5	Confident	75 Å²	75	49.3 Å²	49.3	33%	0.326	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	117.2	173.8	-174.3	172.3	-177	174.2	0	109.9	E664 I795 N796	E664-K781 HydrophobicContact CG-CB 4.1Å; E664-K781 HydrophobicContact CG-CD 4.33Å; E664-K781 HydrophobicContact CG-CG 3.94Å; K781-I795 CarbonylContact O-C 3.5Å; K781-I795 WeakPolarHBondContact O-CA 3.34Å; K781-N796 PolarHBondContact N-OD1 2.96Å; K781-N796 PolarHBondContact O-N 3.46Å
782	L	94.6	Very high	87.1	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	130.8	175.7	-176	151.8	0	0	0	109.8	S662 L663 F665 L697 I713 L721 L784 L793 F794	S662-L782 CarbonylContact C-O 3.47Å; S662-L782 VanDerWaalsContact CA-O 3.27Å; S662-L782 WeakPolarHBondContact CA-O 3.22Å; L663-L782 HydrophobicContact CD1-CB 4.07Å; L663-L782 HydrophobicContact CD2-CD2 4.3Å; L663-L782 HydrophobicContact CG-CB 4.1Å; L663-L782 HydrophobicContact CG-CD2 4.25Å; L663-L782 PolarHBondContact N-O 3.46Å; L663-L782 PolarHBondContact O-N 3.06Å; F665-L782 HydrophobicContact CD1-CB 4.33Å; F665-L782 HydrophobicContact CE1-CB 3.94Å; F665-L782 HydrophobicContact CE1-CD1 4.36Å; L697-L782 HydrophobicContact CD2-CD1 3.98Å; I713-L782 HydrophobicContact CD1-CD1 3.99Å; I713-L782 HydrophobicContact CD1-CD2 3.89Å; I713-L782 HydrophobicContact CD1-CG 4.48Å; I713-L782 HydrophobicContact CG2-CD1 4.13Å; L721-L782 HydrophobicContact CD1-CD1 3.84Å; L782-L784 HydrophobicContact CD2-CB 4.36Å; L782-L793 HydrophobicContact CD1-CD1 4.03Å; L782-L793 HydrophobicContact CD2-CD1 3.8Å; L782-L793 HydrophobicContact CG-CD1 3.66Å; L782-F794 WeakPolarHBondContact CA-O 3.5Å
783	L	94.5	Very high	87.6	Confident	54 Å²	54	41.8 Å²	41.8	28%	0.283	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	115	170.7	170.3	70.8	0	0	0	109.4	H660 I661 T785 F794	H660-L783 HydrophobicContact CB-CD1 4.5Å; I661-L783 CarbonylContact O-C 3.6Å; I661-L783 WeakPolarHBondContact O-CA 2.89Å; L783-T785 HydrophobicContact CD1-CG2 3.99Å; L783-T785 HydrophobicContact CD2-CG2 3.97Å; L783-T785 HydrophobicContact CG-CG2 3.75Å; L783-F794 HydrophobicContact CB-CB 4.18Å; L783-F794 HydrophobicContact CD2-CD2 4.2Å; L783-F794 HydrophobicContact CG-CD2 4.33Å; L783-F794 PolarHBondContact N-O 3.24Å; L783-F794 PolarHBondContact O-N 2.9Å
784	L	93.2	Very high	88.1	Confident	6 Å²	6	44.1 Å²	44.1	3%	0.031	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	121.5	170.2	-176.4	71.2	0	0	0	108.6	H660 I661 I711 I713 L723 L782 I791 L793	H660-L784 CarbonylContact C-O 3.59Å; H660-L784 WeakPolarHBondContact CA-O 3.38Å; I661-L784 HydrophobicContact CB-CB 4.35Å; I661-L784 HydrophobicContact CD1-CD2 4.15Å; I661-L784 PolarHBondContact N-O 3.48Å; I661-L784 PolarHBondContact O-N 2.8Å; I711-L784 HydrophobicContact CG2-CD2 4Å; I713-L784 HydrophobicContact CD1-CB 4.44Å; I713-L784 HydrophobicContact CD1-CD1 4.27Å; I713-L784 HydrophobicContact CD1-CD2 4.31Å; L723-L784 HydrophobicContact CD1-CD1 4.11Å; L782-L784 HydrophobicContact CD2-CB 4.36Å; L784-I791 HydrophobicContact CD1-CG2 3.41Å; L784-I791 VanDerWaalsContact CD1-CG2 3.41Å; L784-I791 HydrophobicContact CG-CG2 4.32Å; L784-L793 HydrophobicContact CB-CD1 4.43Å; L784-L793 HydrophobicContact CD1-CB 4.36Å; L784-L793 HydrophobicContact CD1-CD1 4.3Å
785	T	91.4	Very high	88.4	Confident	23 Å²	23	38.8 Å²	38.8	14%	0.141	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	129.5	173.7	71.3	0	0	0	0	109.3	Y659 H660 L783 I791 T792 F794	Y659-T785 CarbonylContact O-C 3.54Å; Y659-T785 WeakPolarHBondContact O-CA 3.2Å; H660-T785 WeakPolarHBondContact ND1-CG2 3.49Å; L783-T785 HydrophobicContact CD1-CG2 3.99Å; L783-T785 HydrophobicContact CD2-CG2 3.97Å; L783-T785 HydrophobicContact CG-CG2 3.75Å; T785-I791 CarbonylContact O-C 3.53Å; T785-I791 VanDerWaalsContact O-CA 3.3Å; T785-I791 WeakPolarHBondContact O-CA 3.43Å; T785-T792 PolarHBondContact N-O 3.28Å; T785-T792 PolarHBondContact O-N 3.3Å; T785-F794 HydrophobicContact CG2-CD2 4.48Å; T785-F794 HydrophobicContact CG2-CE2 4.22Å
786	K	87	Confident	89	Confident	16 Å²	16	39.5 Å²	39.5	7%	0.07	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	121.4	170.8	177.9	-168.8	178.1	-173.8	0	107.3	H658 Y659 F702 I711 I791 F805 V810	H658-K786 CarbonylContact C-O 3.52Å; H658-K786 VanDerWaalsContact CA-O 3.27Å; H658-K786 WeakPolarHBondContact CA-O 3.25Å; Y659-K786 PolarHBondContact N-O 3.21Å; Y659-K786 PolarHBondContact O-N 2.8Å; F702-K786 HydrophobicContact CD1-CD 4.14Å; F702-K786 HydrophobicContact CE1-CD 3.81Å; F702-K786 HydrophobicContact CZ-CD 4.22Å; I711-K786 HydrophobicContact CD1-CD 4.33Å; K786-I791 HydrophobicContact CB-CG1 4.13Å; K786-I791 HydrophobicContact CG-CG1 3.98Å; K786-F805 HydrophobicContact CG-CZ 4.39Å; K786-V810 PolarHBondContact NZ-O 2.92Å
787	S	85.9	Confident	89.8	Confident	32 Å²	32	47.2 Å²	47.2	22%	0.224	23%	0.228	C	C	.	.			trans	-103.4	-174.8	170.3	70.3	0	0	0	0	110.2	R657 K789 A790 F805	R657-S787 CarbonylContact O-C 3.59Å; R657-S787 VanDerWaalsContact O-C 3.3Å; S787-K789 VanDerWaalsContact C-N 3.25Å; S787-K789 PolarHBondContact O-N 2.89Å; S787-K789 PolarHBondContact OG-N 3.03Å; S787-A790 PolarHBondContact N-O 3.06Å; S787-A790 PolarHBondContact OG-N 2.86Å; S787-A790 PolarHBondContact OG-O 3.36Å; S787-F805 WeakPolarHBondContact O-CZ 3.46Å
788	S	81.2	Confident	90.5	Very high	31 Å²	31	43.5 Å²	43.5	22%	0.217	22%	0.219	C	C	.	.	S	Bend	trans	-63.8	-25.2	170.7	57.2	0	0	0	0	114.3	R657 F805 N808	R657-S788 PolarHBondContact O-N 2.78Å; S788-F805 WeakPolarHBondContact O-CE2 3.3Å; S788-N808 PolarHBondContact O-OD1 2.86Å
789	K	84.7	Confident	90.8	Very high	142 Å²	142	45.5 Å²	45.5	62%	0.617	23%	0.226	S	C	*	.	S	Bend	trans	-119.4	-15.8	-171.5	-64.6	-178	179.6	-179.8	0	114.4	S787 Y804 F805	S787-K789 VanDerWaalsContact C-N 3.25Å; S787-K789 PolarHBondContact O-N 2.89Å; S787-K789 PolarHBondContact OG-N 3.03Å; K789-Y804 WeakPolarHBondContact O-CA 3.25Å; K789-F805 PolarHBondContact O-N 3.2Å
790	A	88.5	Confident	90.7	Very high	2 Å²	2	43.4 Å²	43.4	2%	0.017	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	149.5	-171.1	0	0	0	0	0	112.6	S787 Q802 I803 Y804 F805	S787-A790 PolarHBondContact N-O 3.06Å; S787-A790 PolarHBondContact OG-N 2.86Å; S787-A790 PolarHBondContact OG-O 3.36Å; A790-Q802 HydrophobicContact CB-CG 4.09Å; A790-I803 CarbonylContact C-O 3.57Å; A790-I803 WeakPolarHBondContact CA-O 3.47Å; A790-Y804 HydrophobicContact CB-CD1 3.81Å; A790-Y804 HydrophobicContact CB-CE1 4.06Å; A790-Y804 HydrophobicContact CB-CG 4.42Å; A790-F805 VanDerWaalsContact C-CE1 3.41Å
791	I	90	Very high	90.5	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	124.1	162.6	-71.9	143.3	0	0	0	106.9	I711 L723 L725 L784 T785 K786 Q802 I803 F805	I711-I791 HydrophobicContact CD1-CD1 3.36Å; I711-I791 HydrophobicContact CD1-CG1 3.72Å; I711-I791 HydrophobicContact CG1-CD1 3.76Å; I711-I791 HydrophobicContact CG2-CG2 4.4Å; L723-I791 HydrophobicContact CD1-CG2 4.46Å; L723-I791 HydrophobicContact CD2-CG2 4.23Å; L725-I791 HydrophobicContact CD1-CD1 3.76Å; L725-I791 HydrophobicContact CD2-CD1 3.9Å; L725-I791 HydrophobicContact CG-CD1 4.37Å; L784-I791 HydrophobicContact CD1-CG2 3.41Å; L784-I791 VanDerWaalsContact CD1-CG2 3.41Å; L784-I791 HydrophobicContact CG-CG2 4.32Å; T785-I791 CarbonylContact O-C 3.53Å; T785-I791 VanDerWaalsContact O-CA 3.3Å; T785-I791 WeakPolarHBondContact O-CA 3.43Å; K786-I791 HydrophobicContact CB-CG1 4.13Å; K786-I791 HydrophobicContact CG-CG1 3.98Å; I791-Q802 CarbonylContact O-C 3.51Å; I791-Q802 VanDerWaalsContact O-CA 3.31Å; I791-Q802 WeakPolarHBondContact O-CA 3.41Å; I791-I803 PolarHBondContact N-O 3.4Å; I791-I803 PolarHBondContact O-N 2.59Å; I791-F805 HydrophobicContact CB-CE1 4.39Å; I791-F805 HydrophobicContact CD1-CD1 4.13Å; I791-F805 HydrophobicContact CD1-CE1 3.62Å; I791-F805 HydrophobicContact CD1-CZ 4.49Å; I791-F805 HydrophobicContact CG1-CE1 3.69Å; I791-F805 HydrophobicContact CG1-CZ 4.44Å
792	T	92.2	Very high	90.4	Very high	10 Å²	10	42.3 Å²	42.3	6%	0.061	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	133.7	178.7	-49.2	0	0	0	0	109.1	T785 F794 Q799 A801 Q802	T785-T792 PolarHBondContact N-O 3.28Å; T785-T792 PolarHBondContact O-N 3.3Å; T792-F794 HydrophobicContact CG2-CD2 4.06Å; T792-F794 HydrophobicContact CG2-CE1 4.48Å; T792-F794 HydrophobicContact CG2-CE2 3.34Å; T792-F794 HydrophobicContact CG2-CZ 3.59Å; T792-Q799 HydrophobicContact CG2-CG 3.64Å; T792-A801 WeakPolarHBondContact CA-O 3.17Å; T792-Q802 HydrophobicContact CG2-CB 4.35Å; T792-Q802 HydrophobicContact CG2-CG 4.4Å; T792-Q802 PolarHBondContact OG1-NE2 3.35Å
793	L	93.3	Very high	90.1	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	130	177	179.9	59.5	0	0	0	109.2	I713 L723 I769 L782 L784 V800 A801	I713-L793 HydrophobicContact CD1-CD1 3.8Å; I713-L793 HydrophobicContact CD1-CD2 4.25Å; L723-L793 HydrophobicContact CB-CD2 4.1Å; L723-L793 HydrophobicContact CD1-CD2 4.41Å; L723-L793 HydrophobicContact CD2-CB 4.04Å; L723-L793 HydrophobicContact CD2-CD2 4.45Å; I769-L793 HydrophobicContact CD1-CD2 3.3Å; I769-L793 HydrophobicContact CD1-CG 4.26Å; L782-L793 HydrophobicContact CD1-CD1 4.03Å; L782-L793 HydrophobicContact CD2-CD1 3.8Å; L782-L793 HydrophobicContact CG-CD1 3.66Å; L784-L793 HydrophobicContact CB-CD1 4.43Å; L784-L793 HydrophobicContact CD1-CB 4.36Å; L784-L793 HydrophobicContact CD1-CD1 4.3Å; L793-V800 HydrophobicContact CB-CG2 4.29Å; L793-V800 HydrophobicContact CD2-CG2 4.39Å; L793-V800 HydrophobicContact CG-CG2 3.93Å; L793-V800 VanDerWaalsContact O-CG2 3.25Å; L793-V800 WeakPolarHBondContact O-CG2 3.43Å; L793-V800 PolarHBondContact O-N 3.19Å; L793-A801 HydrophobicContact CB-CB 4.29Å; L793-A801 PolarHBondContact N-O 3Å; L793-A801 PolarHBondContact O-N 3.13Å
794	F	93.7	Very high	89.6	Confident	50 Å²	50	46.8 Å²	46.8	22%	0.219	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	138.9	174.7	-58	-104.1	0	0	0	109.6	L782 L783 T785 T792 S798 Q799	L782-F794 WeakPolarHBondContact CA-O 3.5Å; L783-F794 HydrophobicContact CB-CB 4.18Å; L783-F794 HydrophobicContact CD2-CD2 4.2Å; L783-F794 HydrophobicContact CG-CD2 4.33Å; L783-F794 PolarHBondContact N-O 3.24Å; L783-F794 PolarHBondContact O-N 2.9Å; T785-F794 HydrophobicContact CG2-CD2 4.48Å; T785-F794 HydrophobicContact CG2-CE2 4.22Å; T792-F794 HydrophobicContact CG2-CD2 4.06Å; T792-F794 HydrophobicContact CG2-CE1 4.48Å; T792-F794 HydrophobicContact CG2-CE2 3.34Å; T792-F794 HydrophobicContact CG2-CZ 3.59Å; F794-S798 CarbonylContact C-O 3.49Å; F794-S798 WeakPolarHBondContact CA-O 3.3Å; F794-S798 WeakPolarHBondContact CB-O 3.2Å; F794-Q799 HydrophobicContact CD1-CB 3.82Å; F794-Q799 HydrophobicContact CE1-CB 3.61Å; F794-Q799 HydrophobicContact CE1-CG 4.18Å; F794-Q799 HydrophobicContact CZ-CB 4.32Å; F794-Q799 HydrophobicContact CZ-CG 4.42Å
795	I	91.8	Very high	88.9	Confident	1 Å²	1	47.3 Å²	47.3	1%	0.005	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	130.2	170.2	-62.5	170.8	0	0	0	106.9	L721 I769 L773 K781 Q797 S798 V800	L721-I795 HydrophobicContact CD1-CD1 3.74Å; L721-I795 HydrophobicContact CD1-CG1 4.32Å; I769-I795 HydrophobicContact CD1-CD1 4.15Å; I769-I795 HydrophobicContact CG2-CD1 4.09Å; L773-I795 HydrophobicContact CD2-CG2 4.3Å; K781-I795 CarbonylContact O-C 3.5Å; K781-I795 WeakPolarHBondContact O-CA 3.34Å; I795-Q797 PolarHBondContact O-N 3.12Å; I795-S798 PolarHBondContact N-O 3.05Å; I795-S798 WeakPolarHBondContact O-CB 3.16Å; I795-S798 PolarHBondContact O-N 3.23Å; I795-V800 HydrophobicContact CB-CG1 4.07Å; I795-V800 HydrophobicContact CB-CG2 4.34Å; I795-V800 HydrophobicContact CD1-CB 4.45Å; I795-V800 HydrophobicContact CD1-CG1 4.22Å; I795-V800 HydrophobicContact CD1-CG2 3.77Å; I795-V800 HydrophobicContact CG1-CG1 4.3Å; I795-V800 HydrophobicContact CG1-CG2 3.74Å
796	N	91	Very high	87.9	Confident	63 Å²	63	56 Å²	56	34%	0.337	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.2	39.6	177.1	-61.5	-30.1	0	0	0	113.3	H780 K781 S798	H780-N796 WeakPolarHBondContact CA-OD1 3.36Å; H780-N796 PolarHBondContact ND1-ND2 2.78Å; K781-N796 PolarHBondContact N-OD1 2.96Å; K781-N796 PolarHBondContact O-N 3.46Å; N796-S798 PolarHBondContact O-N 2.95Å
797	Q	89.1	Confident	86.8	Confident	173 Å²	173	59.4 Å²	59.4	81%	0.808	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.8	-4.3	-177.6	-46.3	174.7	16	0	0	116	I795	I795-Q797 PolarHBondContact O-N 3.12Å
798	S	92	Very high	85.7	Confident	71 Å²	71	61.3 Å²	61.3	50%	0.497	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	132	175	-63.6	0	0	0	0	111.1	F794 I795 N796 V800	F794-S798 CarbonylContact C-O 3.49Å; F794-S798 WeakPolarHBondContact CA-O 3.3Å; F794-S798 WeakPolarHBondContact CB-O 3.2Å; I795-S798 PolarHBondContact N-O 3.05Å; I795-S798 WeakPolarHBondContact O-CB 3.16Å; I795-S798 PolarHBondContact O-N 3.23Å; N796-S798 PolarHBondContact O-N 2.95Å; S798-V800 PolarHBondContact O-N 2.99Å
799	Q	92.1	Very high	85.1	Confident	111 Å²	111	68 Å²	68	52%	0.519	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	116.5	169.9	-178.4	176.3	-54.4	0	0	109.1	T792 F794 Q802	T792-Q799 HydrophobicContact CG2-CG 3.64Å; F794-Q799 HydrophobicContact CD1-CB 3.82Å; F794-Q799 HydrophobicContact CE1-CB 3.61Å; F794-Q799 HydrophobicContact CE1-CG 4.18Å; F794-Q799 HydrophobicContact CZ-CB 4.32Å; F794-Q799 HydrophobicContact CZ-CG 4.42Å; Q799-Q802 VanDerWaalsContact NE2-OE1 3.16Å
800	V	90.7	Very high	84.6	Confident	43 Å²	43	61.8 Å²	61.8	26%	0.261	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	-25.1	-175.5	-67.1	0	0	0	0	113.9	I769 E771 L793 I795 S798	I769-V800 HydrophobicContact CD1-CG2 3.78Å; I769-V800 HydrophobicContact CG1-CG2 4.38Å; I769-V800 HydrophobicContact CG2-CB 3.8Å; I769-V800 HydrophobicContact CG2-CG1 4.28Å; I769-V800 HydrophobicContact CG2-CG2 4.13Å; E771-V800 WeakPolarHBondContact OE2-CG1 2.85Å; L793-V800 HydrophobicContact CB-CG2 4.29Å; L793-V800 HydrophobicContact CD2-CG2 4.39Å; L793-V800 HydrophobicContact CG-CG2 3.93Å; L793-V800 VanDerWaalsContact O-CG2 3.25Å; L793-V800 WeakPolarHBondContact O-CG2 3.43Å; L793-V800 PolarHBondContact O-N 3.19Å; I795-V800 HydrophobicContact CB-CG1 4.07Å; I795-V800 HydrophobicContact CB-CG2 4.34Å; I795-V800 HydrophobicContact CD1-CB 4.45Å; I795-V800 HydrophobicContact CD1-CG1 4.22Å; I795-V800 HydrophobicContact CD1-CG2 3.77Å; I795-V800 HydrophobicContact CG1-CG1 4.3Å; I795-V800 HydrophobicContact CG1-CG2 3.74Å; S798-V800 PolarHBondContact O-N 2.99Å
801	A	90	Very high	84	Confident	11 Å²	11	65.6 Å²	65.6	9%	0.091	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	149.9	176.8	0	0	0	0	0	111.4	L723 I769 T792 L793	L723-A801 HydrophobicContact CD2-CB 4.01Å; I769-A801 HydrophobicContact CG1-CB 4.37Å; T792-A801 WeakPolarHBondContact CA-O 3.17Å; L793-A801 HydrophobicContact CB-CB 4.29Å; L793-A801 PolarHBondContact N-O 3Å; L793-A801 PolarHBondContact O-N 3.13Å
802	Q	90.5	Very high	83.6	Confident	49 Å²	49	65.8 Å²	65.8	23%	0.229	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	124.9	173.6	-170.9	171.2	16.4	0	0	110.3	A790 I791 T792 Q799 Y804	A790-Q802 HydrophobicContact CB-CG 4.09Å; I791-Q802 CarbonylContact O-C 3.51Å; I791-Q802 VanDerWaalsContact O-CA 3.31Å; I791-Q802 WeakPolarHBondContact O-CA 3.41Å; T792-Q802 HydrophobicContact CG2-CB 4.35Å; T792-Q802 HydrophobicContact CG2-CG 4.4Å; T792-Q802 PolarHBondContact OG1-NE2 3.35Å; Q799-Q802 VanDerWaalsContact NE2-OE1 3.16Å; Q802-Y804 VanDerWaalsContact CD-CZ 3.41Å; Q802-Y804 HydrophobicContact CG-CD2 4.42Å; Q802-Y804 HydrophobicContact CG-CE2 3.9Å; Q802-Y804 PolarHBondContact NE2-OH 3.31Å; Q802-Y804 PolarHBondContact OE1-OH 2.84Å
803	I	88.2	Confident	83.2	Confident	1 Å²	1	67.5 Å²	67.5	1%	0.005	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	117.6	178.4	-52	-169.6	0	0	0	108.2	L723 L725 Q765 Y767 A790 I791	L723-I803 HydrophobicContact CD2-CD1 3.72Å; L723-I803 HydrophobicContact CD2-CG1 3.8Å; L723-I803 HydrophobicContact CG-CD1 3.76Å; L723-I803 HydrophobicContact CG-CG1 4.4Å; L725-I803 HydrophobicContact CB-CD1 3.99Å; L725-I803 HydrophobicContact CB-CG2 4.31Å; L725-I803 HydrophobicContact CD2-CB 4.48Å; L725-I803 HydrophobicContact CD2-CG2 3.63Å; Q765-I803 HydrophobicContact CB-CG2 4.23Å; Y767-I803 HydrophobicContact CD2-CD1 3.44Å; Y767-I803 VanDerWaalsContact CD2-CD1 3.44Å; Y767-I803 HydrophobicContact CD2-CG1 3.47Å; Y767-I803 VanDerWaalsContact CD2-CG1 3.47Å; Y767-I803 HydrophobicContact CE2-CB 4.27Å; Y767-I803 HydrophobicContact CE2-CD1 3.8Å; Y767-I803 HydrophobicContact CE2-CG1 3.52Å; Y767-I803 HydrophobicContact CE2-CG2 4.16Å; Y767-I803 HydrophobicContact CG-CD1 4.45Å; Y767-I803 HydrophobicContact CG-CG1 4.32Å; A790-I803 CarbonylContact C-O 3.57Å; A790-I803 WeakPolarHBondContact CA-O 3.47Å; I791-I803 PolarHBondContact N-O 3.4Å; I791-I803 PolarHBondContact O-N 2.59Å
804	Y	84.6	Confident	83	Confident	147 Å²	147	70.4 Å²	70.4	58%	0.576	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.7	140.6	175.8	-65.5	-86.9	0	0	0	111.1	K789 A790 Q802	K789-Y804 WeakPolarHBondContact O-CA 3.25Å; A790-Y804 HydrophobicContact CB-CD1 3.81Å; A790-Y804 HydrophobicContact CB-CE1 4.06Å; A790-Y804 HydrophobicContact CB-CG 4.42Å; Q802-Y804 VanDerWaalsContact CD-CZ 3.41Å; Q802-Y804 HydrophobicContact CG-CD2 4.42Å; Q802-Y804 HydrophobicContact CG-CE2 3.9Å; Q802-Y804 PolarHBondContact NE2-OH 3.31Å; Q802-Y804 PolarHBondContact OE1-OH 2.84Å
805	F	78.2	Confident	82.9	Confident	17 Å²	17	68.1 Å²	68.1	8%	0.075	33%	0.331	C	S	.	.			trans	-141	157.9	176.6	54.2	-94.6	0	0	0	111.5	L725 Y727 K786 S787 S788 K789 A790 I791 E807	L725-F805 HydrophobicContact CD2-CD1 4.03Å; Y727-F805 WeakPolarHBondContact OH-CB 3.19Å; K786-F805 HydrophobicContact CG-CZ 4.39Å; S787-F805 WeakPolarHBondContact O-CZ 3.46Å; S788-F805 WeakPolarHBondContact O-CE2 3.3Å; K789-F805 PolarHBondContact O-N 3.2Å; A790-F805 VanDerWaalsContact C-CE1 3.41Å; I791-F805 HydrophobicContact CB-CE1 4.39Å; I791-F805 HydrophobicContact CD1-CD1 4.13Å; I791-F805 HydrophobicContact CD1-CE1 3.62Å; I791-F805 HydrophobicContact CD1-CZ 4.49Å; I791-F805 HydrophobicContact CG1-CE1 3.69Å; I791-F805 HydrophobicContact CG1-CZ 4.44Å; F805-E807 WeakPolarHBondContact CD2-O 3.48Å; F805-E807 WeakPolarHBondContact CE2-O 3.35Å
806	K	70.1	Confident	82.9	Confident	207 Å²	207	68.4 Å²	68.4	90%	0.9	33%	0.332	S	S	*	.	S	Bend	trans	-90.3	-16.8	-171.5	-69.6	-174.7	177.6	-179.2	0	114.4
807	E	65.1	Low	83	Confident	87 Å²	87	65.4 Å²	65.4	41%	0.407	32%	0.316	S	S	.	.			trans	-122.6	139.3	-164.7	-70.5	178.8	176.1	0	0	114.4	K707 F805	K707-E807 WeakPolarHBondContact CD-OE2 3.45Å; K707-E807 WeakPolarHBondContact CE-OE2 3.47Å; K707-E807 IonicContact NZ-OE1 2.73Å; K707-E807 PolarHBondContact NZ-OE1 2.83Å; K707-E807 IonicContact NZ-OE2 2.71Å; K707-E807 PolarHBondContact NZ-OE2 2.83Å; F805-E807 WeakPolarHBondContact CD2-O 3.48Å; F805-E807 WeakPolarHBondContact CE2-O 3.35Å
808	N	62	Low	83.1	Confident	72 Å²	72	57.2 Å²	57.2	39%	0.385	28%	0.277	S	S	.	.			trans	-114.1	-13.4	-157	-61.1	-4.6	0	0	0	115.6	S788 V810	S788-N808 PolarHBondContact O-OD1 2.86Å; N808-V810 PolarHBondContact O-N 2.89Å
809	E	68.4	Low	83.1	Confident	171 Å²	171	53.9 Å²	53.9	80%	0.799	25%	0.254	S	S	*	.			trans	-97.3	43.7	-162.1	-62.5	-160.3	165.2	0	0	114.8	S704	S704-E809 WeakPolarHBondContact CB-O 3.44Å
810	V	74.4	Confident	82.9	Confident	11 Å²	11	48.6 Å²	48.6	7%	0.067	23%	0.23	C	C	.	.			trans	-116.1	124.1	178.9	-73.3	0	0	0	0	112.2	F702 Q703 Q709 K786 N808	F702-V810 HydrophobicContact CB-CB 3.91Å; F702-V810 HydrophobicContact CB-CG2 4.15Å; Q703-V810 WeakPolarHBondContact O-CA 3.39Å; Q709-V810 HydrophobicContact CB-CG1 4.47Å; Q709-V810 VanDerWaalsContact CD-CG2 3.42Å; Q709-V810 HydrophobicContact CG-CG1 4.02Å; Q709-V810 HydrophobicContact CG-CG2 4.32Å; K786-V810 PolarHBondContact NZ-O 2.92Å; N808-V810 PolarHBondContact O-N 2.89Å
811	Q	77.2	Confident	82.6	Confident	83 Å²	83	48 Å²	48	39%	0.388	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	147.8	178.9	-62.1	-172.3	6.5	0	0	111	Y652 F702 Q703 V813	Y652-Q811 HydrophobicContact CE1-CB 4.31Å; Y652-Q811 HydrophobicContact CE1-CG 4.15Å; F702-Q811 CarbonylContact C-O 3.37Å; F702-Q811 WeakPolarHBondContact CA-O 3.47Å; Q703-Q811 PolarHBondContact N-O 2.91Å; Q703-Q811 PolarHBondContact O-N 2.79Å; Q811-V813 PolarHBondContact O-N 2.93Å
812	P	80.5	Confident	82	Confident	4 Å²	4	52 Å²	52	3%	0.026	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	125.7	177.3	27.3	-32.6	0	0	0	111.1	T647 L650 Y652 Y659 F702	T647-P812 PolarHBondContact OG1-O 3.18Å; L650-P812 HydrophobicContact CD1-CB 3.98Å; L650-P812 HydrophobicContact CD1-CG 4.45Å; Y652-P812 HydrophobicContact CD1-CG 4.37Å; Y652-P812 HydrophobicContact CD2-CG 3.81Å; Y652-P812 HydrophobicContact CE2-CG 4.14Å; Y652-P812 HydrophobicContact CG-CG 3.93Å; Y659-P812 HydrophobicContact CD2-CG 4.21Å; Y659-P812 HydrophobicContact CE2-CB 4.38Å; Y659-P812 HydrophobicContact CE2-CG 4.12Å; F702-P812 HydrophobicContact CD1-CB 3.84Å; F702-P812 HydrophobicContact CE1-CB 3.69Å; F702-P812 HydrophobicContact CE1-CG 4.36Å; F702-P812 HydrophobicContact CZ-CB 4.44Å
813	V	84.4	Confident	81.2	Confident	45 Å²	45	52.8 Å²	52.8	27%	0.273	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	-46.5	176.8	-173.1	0	0	0	0	110.9	T647 V701 Q703 Q811	T647-V813 PolarHBondContact N-O 3.22Å; T647-V813 WeakPolarHBondContact OG1-CA 3.11Å; T647-V813 PolarHBondContact OG1-O 2.65Å; V701-V813 PolarHBondContact O-N 3.3Å; Q703-V813 HydrophobicContact CB-CG2 3.37Å; Q703-V813 HydrophobicContact CG-CG2 4.49Å; Q811-V813 PolarHBondContact O-N 2.93Å
814	Q	88.8	Confident	80.7	Confident	62 Å²	62	53.9 Å²	53.9	29%	0.29	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	140.9	179.9	-57.7	-177.4	-8.4	0	0	109.8	F645 V701 F816	F645-Q814 WeakPolarHBondContact O-CA 2.91Å; V701-Q814 HydrophobicContact CB-CB 4.14Å; V701-Q814 HydrophobicContact CG2-CB 4.27Å; V701-Q814 PolarHBondContact N-O 2.73Å; V701-Q814 PolarHBondContact O-N 3.01Å; Q814-F816 HydrophobicContact CB-CE2 3.89Å
815	L	90.9	Very high	80.4	Confident	2 Å²	2	47.1 Å²	47.1	1%	0.01	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	123.8	169.8	171.9	67.1	0	0	0	108.5	K644 F645 L650 Y659 I661 V698 I817 I862	K644-L815 CarbonylContact C-O 3.59Å; K644-L815 WeakPolarHBondContact CA-O 3.05Å; F645-L815 HydrophobicContact CB-CB 4.23Å; F645-L815 HydrophobicContact CD2-CD2 4.26Å; F645-L815 HydrophobicContact CD2-CG 4.38Å; F645-L815 PolarHBondContact N-O 3.22Å; F645-L815 PolarHBondContact O-N 3.13Å; L650-L815 HydrophobicContact CD1-CB 4.44Å; L650-L815 HydrophobicContact CD2-CB 4.35Å; L650-L815 HydrophobicContact CD2-CD2 4.15Å; Y659-L815 WeakPolarHBondContact OH-CD2 3.41Å; I661-L815 HydrophobicContact CD1-CD1 3.51Å; I661-L815 HydrophobicContact CD1-CD2 3.74Å; I661-L815 HydrophobicContact CD1-CG 4.28Å; I661-L815 HydrophobicContact CG1-CD2 4.06Å; V698-L815 HydrophobicContact CG1-CD1 3.79Å; L815-I817 HydrophobicContact CD1-CD1 4.06Å; L815-I817 HydrophobicContact CD2-CD1 4.14Å; L815-I817 HydrophobicContact CD2-CG1 4.24Å; L815-I817 HydrophobicContact CG-CD1 4.1Å; L815-I817 HydrophobicContact CG-CG1 4.16Å; L815-I862 HydrophobicContact CD2-CD1 3.85Å
816	F	92.7	Very high	79.9	Confident	7 Å²	7	46.8 Å²	46.8	3%	0.031	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	134.1	171.8	-56.5	-98.7	0	0	0	110.3	F642 V643 K644 V698 Y699 Q814 G819 I820 P821	F642-F816 AromaticContact CD2-CD1 3.9Å; F642-F816 HydrophobicContact CD2-CD1 3.9Å; F642-F816 HydrophobicContact CD2-CE1 4.3Å; F642-F816 HydrophobicContact CE2-CD1 4.37Å; F642-F816 HydrophobicContact CE2-CE1 4.32Å; V643-F816 CarbonylContact O-C 3.54Å; V643-F816 WeakPolarHBondContact O-CA 3.41Å; K644-F816 HydrophobicContact CB-CD1 3.83Å; K644-F816 HydrophobicContact CB-CE1 3.73Å; K644-F816 HydrophobicContact CD-CE1 3.75Å; K644-F816 HydrophobicContact CD-CZ 3.9Å; K644-F816 HydrophobicContact CG-CD1 4.07Å; K644-F816 HydrophobicContact CG-CE1 3.62Å; K644-F816 HydrophobicContact CG-CZ 3.91Å; V698-F816 WeakPolarHBondContact CA-O 3.36Å; Y699-F816 AromaticContact CD1-CD2 3.93Å; Y699-F816 HydrophobicContact CD1-CD2 3.93Å; Y699-F816 HydrophobicContact CD1-CE2 4.46Å; Y699-F816 PolarHBondContact N-O 2.96Å; Y699-F816 PolarHBondContact O-N 2.94Å; Q814-F816 HydrophobicContact CB-CE2 3.89Å; F816-G819 VanDerWaalsContact CB-O 3.24Å; F816-G819 WeakPolarHBondContact CB-O 3.45Å; F816-I820 HydrophobicContact CB-CG2 4.22Å; F816-I820 HydrophobicContact CG-CG2 4.41Å; F816-P821 HydrophobicContact CE1-CG 4.14Å
817	I	93.3	Very high	79.9	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	139.8	176.2	-58.4	-66.5	0	0	0	108.8	V643 F645 I661 L663 V698 L815 G819 I857 L860	V643-I817 HydrophobicContact CG2-CB 3.69Å; V643-I817 HydrophobicContact CG2-CG2 4.43Å; V643-I817 PolarHBondContact N-O 2.72Å; V643-I817 PolarHBondContact O-N 3.42Å; F645-I817 HydrophobicContact CD2-CG1 4.46Å; F645-I817 HydrophobicContact CE2-CG1 4.05Å; I661-I817 HydrophobicContact CG2-CD1 4.27Å; L663-I817 HydrophobicContact CD2-CD1 4.31Å; V698-I817 HydrophobicContact CB-CD1 4.29Å; V698-I817 HydrophobicContact CG1-CD1 3.93Å; V698-I817 HydrophobicContact CG2-CD1 3.84Å; L815-I817 HydrophobicContact CD1-CD1 4.06Å; L815-I817 HydrophobicContact CD2-CD1 4.14Å; L815-I817 HydrophobicContact CD2-CG1 4.24Å; L815-I817 HydrophobicContact CG-CD1 4.1Å; L815-I817 HydrophobicContact CG-CG1 4.16Å; I817-G819 PolarHBondContact O-N 2.77Å; I817-I857 HydrophobicContact CG2-CD1 3.46Å; I817-I857 VanDerWaalsContact CG2-CD1 3.46Å; I817-L860 HydrophobicContact CG1-CD1 4.48Å
818	G	91.2	Very high	80.3	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.18	C	C	.	.	S	Bend	trans	76.5	-2.8	178.7	0	0	0	0	0	114.6	S641 Y696 L697 N852 F853	S641-G818 CarbonylContact O-C 3.59Å; S641-G818 VanDerWaalsContact O-O 3.08Å; Y696-G818 CarbonylContact O-C 3.58Å; L697-G818 PolarHBondContact O-N 2.77Å; G818-N852 WeakPolarHBondContact O-CB 3.44Å; G818-F853 WeakPolarHBondContact O-CB 3.09Å; G818-F853 PolarHBondContact O-N 2.92Å
819	G	90.9	Very high	80.7	Confident	1 Å²	1	34.5 Å²	34.5	1%	0.01	17%	0.172	C	C	.	.			trans	162	-175.2	-179.2	0	0	0	0	0	113.2	Y696 F816 I817 N852	Y696-G819 WeakPolarHBondContact O-CA 3.27Å; Y696-G819 PolarHBondContact O-N 2.78Å; F816-G819 VanDerWaalsContact CB-O 3.24Å; F816-G819 WeakPolarHBondContact CB-O 3.45Å; I817-G819 PolarHBondContact O-N 2.77Å; G819-N852 WeakPolarHBondContact CA-OD1 3.26Å
820	I	88.5	Confident	80.4	Confident	1 Å²	1	26.9 Å²	26.9	1%	0.005	14%	0.136	C	C	.	.			trans	-134.3	157.6	171.3	56.3	172.9	0	0	0	110	Y696 Y699 F816 L824 H825 R828 N852	Y696-I820 HydrophobicContact CD1-CD1 4.14Å; Y696-I820 HydrophobicContact CD2-CD1 3.71Å; Y696-I820 HydrophobicContact CD2-CG1 3.88Å; Y696-I820 HydrophobicContact CE1-CD1 4.05Å; Y696-I820 HydrophobicContact CE2-CD1 3.59Å; Y696-I820 HydrophobicContact CE2-CG1 4.24Å; Y696-I820 HydrophobicContact CG-CD1 3.97Å; Y696-I820 HydrophobicContact CG-CG1 4.07Å; Y699-I820 HydrophobicContact CD1-CG2 4.22Å; Y699-I820 HydrophobicContact CD2-CG2 4.22Å; Y699-I820 HydrophobicContact CG-CG2 3.76Å; F816-I820 HydrophobicContact CB-CG2 4.22Å; F816-I820 HydrophobicContact CG-CG2 4.41Å; I820-L824 HydrophobicContact CB-CB 4.33Å; I820-L824 HydrophobicContact CB-CD2 3.96Å; I820-L824 HydrophobicContact CB-CG 4.44Å; I820-L824 HydrophobicContact CD1-CB 4.13Å; I820-L824 HydrophobicContact CD1-CD2 4.22Å; I820-L824 HydrophobicContact CD1-CG 3.95Å; I820-L824 HydrophobicContact CG2-CD2 3.88Å; I820-H825 WeakPolarHBondContact CG1-NE2 3.39Å; I820-H825 PolarHBondContact O-CD2 2.82Å; I820-H825 PolarHBondContact O-NE2 2.86Å; I820-R828 HydrophobicContact CD1-CG 4.34Å; I820-N852 PolarHBondContact N-OD1 2.83Å; I820-N852 PolarHBondContact O-ND2 2.87Å; I820-N852 PolarHBondContact O-OD1 3.36Å
821	P	85	Confident	79.9	Confident	29 Å²	29	27 Å²	27	19%	0.188	14%	0.136	C	C	.	.			trans	-66.2	154.1	174.8	27	-35.2	0	0	0	111.9	F642 F816 T823 L824 H825	F642-P821 HydrophobicContact CE1-CB 4.07Å; F642-P821 HydrophobicContact CZ-CB 4.05Å; F816-P821 HydrophobicContact CE1-CG 4.14Å; P821-T823 PolarHBondContact O-N 2.89Å; P821-L824 HydrophobicContact CG-CB 4.09Å; P821-L824 WeakPolarHBondContact O-CB 3.35Å; P821-L824 PolarHBondContact O-N 3.04Å; P821-H825 PolarHBondContact O-N 2.88Å; P821-H825 VanDerWaalsContact O-N 3.07Å
822	E	76.5	Confident	79.3	Confident	97 Å²	97	24.1 Å²	24.1	45%	0.453	12%	0.123	S	C	.	.	H	α-helix	trans	-58.5	-32.2	-176.9	-175.6	57.8	-161.1	0	0	113.7	L824 H825 A826 R829	E822-L824 VanDerWaalsContact C-N 3.27Å; E822-L824 PolarHBondContact O-N 2.83Å; E822-H825 WeakPolarHBondContact O-CB 3.18Å; E822-H825 PolarHBondContact O-N 2.77Å; E822-H825 IonicContact OE2-CD2 3.85Å; E822-A826 PolarHBondContact O-N 2.02Å; E822-R829 IonicContact OE1-CZ 3.67Å; E822-R829 IonicContact OE1-NH1 2.77Å; E822-R829 IonicContact OE1-NH2 2.76Å; E822-R829 PolarHBondContact OE1-NH2 2.76Å
823	T	73.4	Confident	78.3	Confident	65 Å²	65	25.3 Å²	25.3	40%	0.399	13%	0.129	S	C	.	.	H	α-helix	trans	-60.4	-39	174.3	48.9	0	0	0	0	111.8	L745 P821 Q827	L745-T823 HydrophobicContact CD1-CG2 4.16Å; P821-T823 PolarHBondContact O-N 2.89Å; T823-Q827 WeakPolarHBondContact O-CG 3.34Å; T823-Q827 PolarHBondContact O-N 3.47Å; T823-Q827 VanDerWaalsContact O-N 3.15Å
824	L	79.3	Confident	76.9	Confident	24 Å²	24	25.6 Å²	25.6	13%	0.126	13%	0.128	C	C	.	.	H	α-helix	trans	-77.3	-36.1	177.5	-168.1	59.3	0	0	0	111.2	Y699 I820 P821 E822 A826 Q827 R828	Y699-L824 HydrophobicContact CD1-CD2 3.93Å; Y699-L824 HydrophobicContact CE1-CD2 3.57Å; Y699-L824 HydrophobicContact CE2-CD2 4.45Å; I820-L824 HydrophobicContact CB-CB 4.33Å; I820-L824 HydrophobicContact CB-CD2 3.96Å; I820-L824 HydrophobicContact CB-CG 4.44Å; I820-L824 HydrophobicContact CD1-CB 4.13Å; I820-L824 HydrophobicContact CD1-CD2 4.22Å; I820-L824 HydrophobicContact CD1-CG 3.95Å; I820-L824 HydrophobicContact CG2-CD2 3.88Å; P821-L824 HydrophobicContact CG-CB 4.09Å; P821-L824 WeakPolarHBondContact O-CB 3.35Å; P821-L824 PolarHBondContact O-N 3.04Å; E822-L824 VanDerWaalsContact C-N 3.27Å; E822-L824 PolarHBondContact O-N 2.83Å; L824-A826 VanDerWaalsContact C-N 3.3Å; L824-A826 PolarHBondContact O-N 2.88Å; L824-Q827 VanDerWaalsContact CD1-OE1 3.31Å; L824-Q827 PolarHBondContact O-N 3.1Å; L824-R828 VanDerWaalsContact O-CB 3.31Å; L824-R828 WeakPolarHBondContact O-CB 3.13Å; L824-R828 WeakPolarHBondContact O-CG 3.11Å; L824-R828 PolarHBondContact O-N 2.82Å
825	H	77.5	Confident	75.3	Confident	5 Å²	5	26 Å²	26	2%	0.023	14%	0.137	C	C	.	.	H	α-helix	trans	-55.9	-44.3	168.7	-81.6	-67.7	0	0	0	111.9	Y696 I820 P821 E822 R828 R829 S850 N852	Y696-H825 AromaticContact CD2-CE1 3.47Å; Y696-H825 VanDerWaalsContact CD2-CE1 3.47Å; Y696-H825 WeakPolarHBondContact CD2-CE1 3.47Å; Y696-H825 AromaticContact CD2-ND1 3.87Å; Y696-H825 AromaticContact CE2-CE1 3.68Å; Y696-H825 AromaticContact CE2-ND1 3.57Å; I820-H825 WeakPolarHBondContact CG1-NE2 3.39Å; I820-H825 PolarHBondContact O-CD2 2.82Å; I820-H825 PolarHBondContact O-NE2 2.86Å; P821-H825 PolarHBondContact O-N 2.88Å; P821-H825 VanDerWaalsContact O-N 3.07Å; E822-H825 WeakPolarHBondContact O-CB 3.18Å; E822-H825 PolarHBondContact O-N 2.77Å; E822-H825 IonicContact OE2-CD2 3.85Å; H825-R828 PolarHBondContact O-N 3.23Å; H825-R829 WeakPolarHBondContact O-CB 3.39Å; H825-R829 VanDerWaalsContact O-CG 3.29Å; H825-R829 WeakPolarHBondContact O-CG 3.47Å; H825-R829 PolarHBondContact O-N 2.89Å; H825-R829 PolarHBondContact O-NE 2.81Å; H825-S850 WeakPolarHBondContact ND1-CB 3.35Å; H825-S850 PolarHBondContact ND1-OG 3.42Å; H825-N852 PolarHBondContact CE1-OD1 2.89Å; H825-N852 PolarHBondContact NE2-OD1 2.82Å
826	A	67.1	Low	73.6	Confident	10 Å²	10	30.8 Å²	30.8	8%	0.083	16%	0.163	C	C	.	.	H	α-helix	trans	-62	-49	176.9	0	0	0	0	0	112.6	L750 E822 L824 R828 R829 Y830	L750-A826 HydrophobicContact CB-CB 4.47Å; L750-A826 HydrophobicContact CD1-CB 3.87Å; L750-A826 HydrophobicContact CD2-CB 3.78Å; L750-A826 HydrophobicContact CG-CB 4.25Å; E822-A826 PolarHBondContact O-N 2.02Å; L824-A826 VanDerWaalsContact C-N 3.3Å; L824-A826 PolarHBondContact O-N 2.88Å; A826-R828 VanDerWaalsContact C-N 3.31Å; A826-R828 PolarHBondContact O-N 3.2Å; A826-R829 PolarHBondContact O-N 2.95Å; A826-Y830 PolarHBondContact O-N 2.81Å; A826-Y830 VanDerWaalsContact O-N 3.14Å
827	Q	70.3	Confident	71.6	Confident	40 Å²	40	33.6 Å²	33.6	19%	0.187	19%	0.194	C	C	.	.	H	α-helix	trans	-56.7	-44.8	175.8	-72.9	173.5	-8.7	0	0	112	I753 T823 L824 Y830 L831	I753-Q827 HydrophobicContact CG2-CG 3.98Å; T823-Q827 WeakPolarHBondContact O-CG 3.34Å; T823-Q827 PolarHBondContact O-N 3.47Å; T823-Q827 VanDerWaalsContact O-N 3.15Å; L824-Q827 VanDerWaalsContact CD1-OE1 3.31Å; L824-Q827 PolarHBondContact O-N 3.1Å; Q827-Y830 WeakPolarHBondContact O-CB 3.1Å; Q827-Y830 PolarHBondContact O-N 3.12Å; Q827-L831 WeakPolarHBondContact O-CG 3.44Å; Q827-L831 PolarHBondContact O-N 2.71Å; Q827-L831 VanDerWaalsContact O-N 3.14Å
828	R	74.9	Confident	69.5	Low	11 Å²	11	38 Å²	38	4%	0.042	21%	0.211	C	C	.	.	H	α-helix	trans	-63.2	-46.9	178.6	-74.7	-72.3	-52.5	159.5	7.4	113.2	Y696 E726 I820 L824 H825 A826 Y830 L831 E832	Y696-R828 WeakPolarHBondContact OH-CB 3.4Å; Y696-R828 PolarHBondContact OH-NE 2.73Å; E726-R828 IonicContact OE1-CZ 3.64Å; E726-R828 IonicContact OE1-NH1 3.47Å; E726-R828 PolarHBondContact OE1-NH1 3.26Å; E726-R828 IonicContact OE1-NH2 3.2Å; E726-R828 IonicContact OE2-CZ 2.63Å; E726-R828 IonicContact OE2-NH1 3.82Å; E726-R828 PolarHBondContact OE2-NH1 3.08Å; I820-R828 HydrophobicContact CD1-CG 4.34Å; L824-R828 VanDerWaalsContact O-CB 3.31Å; L824-R828 WeakPolarHBondContact O-CB 3.13Å; L824-R828 WeakPolarHBondContact O-CG 3.11Å; L824-R828 PolarHBondContact O-N 2.82Å; H825-R828 PolarHBondContact O-N 3.23Å; A826-R828 VanDerWaalsContact C-N 3.31Å; A826-R828 PolarHBondContact O-N 3.2Å; R828-Y830 VanDerWaalsContact C-N 3.25Å; R828-Y830 PolarHBondContact O-N 2.85Å; R828-L831 PolarHBondContact O-N 2.73Å; R828-E832 IonicContact CZ-OE1 2.67Å; R828-E832 IonicContact NE-OE1 3.14Å; R828-E832 IonicContact NH2-OE1 2.76Å; R828-E832 PolarHBondContact NH2-OE1 3.23Å; R828-E832 WeakPolarHBondContact O-CG 3.43Å; R828-E832 PolarHBondContact O-N 2.8Å; R828-E832 VanDerWaalsContact O-N 3.13Å
829	R	70.1	Confident	67.4	Low	56 Å²	56	41.2 Å²	41.2	21%	0.211	23%	0.233	C	C	.	.	H	α-helix	trans	-57.1	-42.3	176.9	-77	179.6	-67.9	-169.1	-10.5	111.3	E822 H825 A826 E832 L833 I848	E822-R829 IonicContact OE1-CZ 3.67Å; E822-R829 IonicContact OE1-NH1 2.77Å; E822-R829 IonicContact OE1-NH2 2.76Å; E822-R829 PolarHBondContact OE1-NH2 2.76Å; H825-R829 WeakPolarHBondContact O-CB 3.39Å; H825-R829 VanDerWaalsContact O-CG 3.29Å; H825-R829 WeakPolarHBondContact O-CG 3.47Å; H825-R829 PolarHBondContact O-N 2.89Å; H825-R829 PolarHBondContact O-NE 2.81Å; A826-R829 PolarHBondContact O-N 2.95Å; R829-E832 PolarHBondContact O-N 2.85Å; R829-L833 WeakPolarHBondContact O-CG 3.21Å; R829-L833 PolarHBondContact O-N 3.36Å; R829-L833 VanDerWaalsContact O-N 3.09Å; R829-I848 WeakPolarHBondContact CD-O 3.01Å; R829-I848 VanDerWaalsContact CG-O 3.26Å; R829-I848 WeakPolarHBondContact CG-O 3.37Å
830	Y	61.7	Low	65.3	Low	12 Å²	12	44 Å²	44	5%	0.047	25%	0.253	C	S	.	.	H	α-helix	trans	-60.5	-50.1	176.1	175.8	-86	0	0	0	112.1	W751 G754 R755 F758 A826 Q827 R828 E832 L833 M834	W751-Y830 HydrophobicContact CD2-CD2 4.38Å; W751-Y830 HydrophobicContact CD2-CE2 4.46Å; W751-Y830 AromaticContact CE3-CD2 3.58Å; W751-Y830 HydrophobicContact CE3-CD2 3.58Å; W751-Y830 AromaticContact CE3-CE2 3.34Å; W751-Y830 HydrophobicContact CE3-CE2 3.34Å; W751-Y830 AromaticContact CZ3-CD2 3.65Å; W751-Y830 HydrophobicContact CZ3-CD2 3.65Å; W751-Y830 AromaticContact CZ3-CE2 3.41Å; W751-Y830 HydrophobicContact CZ3-CE2 3.41Å; W751-Y830 VanDerWaalsContact CZ3-CE2 3.41Å; G754-Y830 VanDerWaalsContact C-CZ 3.46Å; G754-Y830 WeakPolarHBondContact O-CD1 3.45Å; G754-Y830 WeakPolarHBondContact O-CE1 3.37Å; R755-Y830 VanDerWaalsContact CA-CZ 3.45Å; R755-Y830 WeakPolarHBondContact CA-OH 3.47Å; R755-Y830 HydrophobicContact CB-CE2 4.48Å; R755-Y830 WeakPolarHBondContact CB-OH 3.26Å; R755-Y830 WeakPolarHBondContact CG-OH 3.33Å; R755-Y830 VanDerWaalsContact N-CZ 3.29Å; F758-Y830 HydrophobicContact CB-CE1 4.06Å; A826-Y830 PolarHBondContact O-N 2.81Å; A826-Y830 VanDerWaalsContact O-N 3.14Å; Q827-Y830 WeakPolarHBondContact O-CB 3.1Å; Q827-Y830 PolarHBondContact O-N 3.12Å; R828-Y830 VanDerWaalsContact C-N 3.25Å; R828-Y830 PolarHBondContact O-N 2.85Å; Y830-E832 PolarHBondContact O-N 3.09Å; Y830-L833 PolarHBondContact O-N 2.86Å; Y830-M834 HydrophobicContact CD1-CG 4.07Å; Y830-M834 HydrophobicContact CE1-CB 4.49Å; Y830-M834 HydrophobicContact CE1-CG 3.43Å; Y830-M834 VanDerWaalsContact CE1-CG 3.43Å; Y830-M834 HydrophobicContact CE1-SD 4.44Å; Y830-M834 HydrophobicContact CE2-CG 3.98Å; Y830-M834 HydrophobicContact CE2-SD 4.21Å; Y830-M834 WeakPolarHBondContact O-CG 3.27Å; Y830-M834 PolarHBondContact O-N 3.05Å; Y830-M834 WeakPolarHBondContact OH-CG 3.32Å; Y830-M834 PolarHBondContact OH-SD 2.87Å; Y830-M834 VanDerWaalsContact OH-SD 3.4Å
831	L	63.8	Low	63.2	Low	14 Å²	14	48 Å²	48	7%	0.073	28%	0.281	C	S	.	.	H	α-helix	trans	-57.5	-38.7	-179.3	-71.4	166.9	0	0	0	112.2	F758 M762 Q827 R828 M834 S835	F758-L831 HydrophobicContact CD2-CD2 4.21Å; M762-L831 HydrophobicContact CE-CD1 3.78Å; M762-L831 HydrophobicContact CE-CD2 3.8Å; M762-L831 HydrophobicContact CE-CG 4.39Å; M762-L831 HydrophobicContact SD-CD1 4.48Å; Q827-L831 WeakPolarHBondContact O-CG 3.44Å; Q827-L831 PolarHBondContact O-N 2.71Å; Q827-L831 VanDerWaalsContact O-N 3.14Å; R828-L831 PolarHBondContact O-N 2.73Å; L831-M834 PolarHBondContact O-N 3.26Å; L831-S835 WeakPolarHBondContact O-CB 3.06Å; L831-S835 PolarHBondContact O-N 2.83Å
832	E	65.4	Low	61.2	Low	21 Å²	21	52.3 Å²	52.3	10%	0.098	30%	0.298	C	S	.	.	H	α-helix	trans	-72.6	-37.2	-179.9	-70.1	165.6	-163.5	0	0	113.4	K694 R828 R829 Y830 M834 S835 N836 I848	K694-E832 WeakPolarHBondContact CE-OE1 3.13Å; K694-E832 WeakPolarHBondContact CE-OE2 3.35Å; K694-E832 IonicContact NZ-OE1 3.2Å; K694-E832 PolarHBondContact NZ-OE1 2.85Å; K694-E832 IonicContact NZ-OE2 3.2Å; K694-E832 PolarHBondContact NZ-OE2 3.1Å; R828-E832 IonicContact CZ-OE1 2.67Å; R828-E832 IonicContact NE-OE1 3.14Å; R828-E832 IonicContact NH2-OE1 2.76Å; R828-E832 PolarHBondContact NH2-OE1 3.23Å; R828-E832 WeakPolarHBondContact O-CG 3.43Å; R828-E832 PolarHBondContact O-N 2.8Å; R828-E832 VanDerWaalsContact O-N 3.13Å; R829-E832 PolarHBondContact O-N 2.85Å; Y830-E832 PolarHBondContact O-N 3.09Å; E832-M834 VanDerWaalsContact C-N 3.34Å; E832-S835 PolarHBondContact O-OG 2.85Å; E832-N836 VanDerWaalsContact O-CG 3.31Å; E832-N836 PolarHBondContact O-N 2.86Å; E832-N836 PolarHBondContact O-ND2 2.81Å; E832-N836 VanDerWaalsContact O-ND2 3.14Å; E832-I848 HydrophobicContact CB-CD1 4.19Å
833	L	58.6	Low	59.5	Low	29 Å²	29	53.9 Å²	53.9	15%	0.152	30%	0.303	C	S	.	.	H	α-helix	trans	-62.5	-45.3	172.7	-73.3	168.2	0	0	0	110.4	R829 Y830 N836 Y838 I846	R829-L833 WeakPolarHBondContact O-CG 3.21Å; R829-L833 PolarHBondContact O-N 3.36Å; R829-L833 VanDerWaalsContact O-N 3.09Å; Y830-L833 PolarHBondContact O-N 2.86Å; L833-N836 PolarHBondContact O-N 2.88Å; L833-Y838 HydrophobicContact CD2-CD2 4.1Å; L833-Y838 WeakPolarHBondContact O-CB 3.27Å; L833-Y838 WeakPolarHBondContact O-CD2 3.39Å; L833-Y838 PolarHBondContact O-N 2.8Å; L833-I846 HydrophobicContact CD2-CB 4.02Å; L833-I846 HydrophobicContact CD2-CG2 3.86Å
834	M	54.5	Low	57.9	Low	51 Å²	51	58 Å²	58	25%	0.251	32%	0.318	S	S	.	.	H	α-helix	trans	-67.4	-39.8	179.1	-65.9	-62.4	-66	0	0	112.7	F758 Y830 L831 E832 N836 G837	F758-M834 HydrophobicContact CD1-CB 4.31Å; F758-M834 HydrophobicContact CD1-CE 4.02Å; F758-M834 HydrophobicContact CD2-CB 3.49Å; F758-M834 VanDerWaalsContact CD2-CB 3.49Å; F758-M834 HydrophobicContact CD2-CG 4.25Å; F758-M834 HydrophobicContact CE1-CB 4.22Å; F758-M834 HydrophobicContact CE1-CE 4.22Å; F758-M834 HydrophobicContact CE2-CB 3.38Å; F758-M834 HydrophobicContact CG-CB 3.97Å; F758-M834 HydrophobicContact CG-CE 4.46Å; F758-M834 HydrophobicContact CG-CG 4.35Å; F758-M834 HydrophobicContact CZ-CB 3.77Å; Y830-M834 HydrophobicContact CD1-CG 4.07Å; Y830-M834 HydrophobicContact CE1-CB 4.49Å; Y830-M834 HydrophobicContact CE1-CG 3.43Å; Y830-M834 VanDerWaalsContact CE1-CG 3.43Å; Y830-M834 HydrophobicContact CE1-SD 4.44Å; Y830-M834 HydrophobicContact CE2-CG 3.98Å; Y830-M834 HydrophobicContact CE2-SD 4.21Å; Y830-M834 WeakPolarHBondContact O-CG 3.27Å; Y830-M834 PolarHBondContact O-N 3.05Å; Y830-M834 WeakPolarHBondContact OH-CG 3.32Å; Y830-M834 PolarHBondContact OH-SD 2.87Å; Y830-M834 VanDerWaalsContact OH-SD 3.4Å; L831-M834 PolarHBondContact O-N 3.26Å; E832-M834 VanDerWaalsContact C-N 3.34Å; M834-N836 PolarHBondContact O-N 2.79Å; M834-G837 PolarHBondContact O-N 2.91Å; M834-G837 VanDerWaalsContact O-N 3.09Å
835	S	56.3	Low	55.8	Low	70 Å²	70	60.8 Å²	60.8	49%	0.49	33%	0.333	S	S	.	.	H	α-helix	trans	-63.5	-28.9	177.6	70.5	0	0	0	0	112.8	L831 E832 G837	L831-S835 WeakPolarHBondContact O-CB 3.06Å; L831-S835 PolarHBondContact O-N 2.83Å; E832-S835 PolarHBondContact O-OG 2.85Å; S835-G837 VanDerWaalsContact C-N 3.25Å; S835-G837 PolarHBondContact O-N 2.95Å
836	N	55.5	Low	53.9	Low	104 Å²	104	63.5 Å²	63.5	56%	0.556	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	6.1	177.6	-69.4	-25.1	0	0	0	113.4	E832 L833 M834 Y838	E832-N836 VanDerWaalsContact O-CG 3.31Å; E832-N836 PolarHBondContact O-N 2.86Å; E832-N836 PolarHBondContact O-ND2 2.81Å; E832-N836 VanDerWaalsContact O-ND2 3.14Å; L833-N836 PolarHBondContact O-N 2.88Å; M834-N836 PolarHBondContact O-N 2.79Å; N836-Y838 HydrophobicContact CB-CD2 3.65Å; N836-Y838 HydrophobicContact CB-CE2 3.55Å; N836-Y838 PolarHBondContact O-N 2.58Å
837	G	50.5	Low	52.7	Low	65 Å²	65	68.6 Å²	68.6	67%	0.67	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.2	15.5	176.7	0	0	0	0	0	114.9	M834 S835 S839	M834-G837 PolarHBondContact O-N 2.91Å; M834-G837 VanDerWaalsContact O-N 3.09Å; S835-G837 VanDerWaalsContact C-N 3.25Å; S835-G837 PolarHBondContact O-N 2.95Å; G837-S839 PolarHBondContact O-N 3.31Å
838	Y	48.8	Very low	51.6	Low	94 Å²	94	68 Å²	68	37%	0.369	37%	0.366	S	S	.	.			trans	-71.8	127.4	175.7	-67.7	-72.9	0	0	0	111	L833 N836 I846	L833-Y838 HydrophobicContact CD2-CD2 4.1Å; L833-Y838 WeakPolarHBondContact O-CB 3.27Å; L833-Y838 WeakPolarHBondContact O-CD2 3.39Å; L833-Y838 PolarHBondContact O-N 2.8Å; N836-Y838 HydrophobicContact CB-CD2 3.65Å; N836-Y838 HydrophobicContact CB-CE2 3.55Å; N836-Y838 PolarHBondContact O-N 2.58Å; Y838-I846 HydrophobicContact CD1-CD1 3.72Å; Y838-I846 HydrophobicContact CD2-CD1 4.28Å; Y838-I846 HydrophobicContact CE1-CD1 3.16Å; Y838-I846 HydrophobicContact CE2-CD1 3.81Å; Y838-I846 HydrophobicContact CG-CD1 4.26Å; Y838-I846 WeakPolarHBondContact OH-CD1 3.47Å
839	S	47	Very low	50.6	Low	67 Å²	67	72.8 Å²	72.8	47%	0.469	39%	0.387	S	S	.	.			trans	-74.4	153.4	173.6	171.9	0	0	0	0	111.2	G837 S841 H842	G837-S839 PolarHBondContact O-N 3.31Å; S839-S841 PolarHBondContact O-N 3.42Å; S839-S841 PolarHBondContact OG-N 3.26Å; S839-S841 PolarHBondContact OG-OG 3.12Å; S839-H842 PolarHBondContact O-N 3.01Å
840	S	47.7	Very low	50.4	Low	60 Å²	60	70.8 Å²	70.8	42%	0.42	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-9.6	174.6	59.4	0	0	0	0	114.8	K843	S840-K843 VanDerWaalsContact O-CG 3.23Å; S840-K843 WeakPolarHBondContact O-CG 3.25Å
841	S	43.3	Very low	51.1	Low	84 Å²	84	72.8 Å²	72.8	59%	0.587	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-18.9	174.6	60.1	0	0	0	0	114	S839 K843	S839-S841 PolarHBondContact O-N 3.42Å; S839-S841 PolarHBondContact OG-N 3.26Å; S839-S841 PolarHBondContact OG-OG 3.12Å; S841-K843 VanDerWaalsContact C-N 3.26Å; S841-K843 PolarHBondContact O-N 3.05Å; S841-K843 VanDerWaalsContact O-N 3.13Å
842	H	42.3	Very low	52.3	Low	120 Å²	120	72.3 Å²	72.3	56%	0.556	39%	0.388	S	S	*	.			trans	-89.8	61	177.7	-71	54.7	0	0	0	110	S839 E844	S839-H842 PolarHBondContact O-N 3.01Å; H842-E844 PolarHBondContact O-N 2.82Å
843	K	41.9	Very low	53.4	Low	130 Å²	130	71.3 Å²	71.3	57%	0.565	38%	0.383	S	S	*	.			trans	-71	-27	-171.2	-70.8	-171.3	176.3	-174.1	0	114.4	S840 S841	S840-K843 VanDerWaalsContact O-CG 3.23Å; S840-K843 WeakPolarHBondContact O-CG 3.25Å; S841-K843 VanDerWaalsContact C-N 3.26Å; S841-K843 PolarHBondContact O-N 3.05Å; S841-K843 VanDerWaalsContact O-N 3.13Å
844	E	38.7	Very low	54.9	Low	150 Å²	150	71.2 Å²	71.2	70%	0.701	38%	0.383	S	S	*	.	S	Bend	trans	-117.9	-21.8	-159	-75.1	176.5	168.1	0	0	117	H842 F847	H842-E844 PolarHBondContact O-N 2.82Å; E844-F847 WeakPolarHBondContact O-CE2 3.34Å
845	N	36.4	Very low	56.6	Low	83 Å²	83	69.2 Å²	69.2	44%	0.444	38%	0.375	S	S	.	.	S	Bend	trans	-105.2	-3.7	-164.3	-68.9	-21.2	0	0	0	117	N687	N687-N845 PolarHBondContact ND2-ND2 3.04Å; N687-N845 PolarHBondContact OD1-ND2 2.85Å; N687-N845 VanDerWaalsContact OD1-ND2 3.16Å
846	I	38.1	Very low	58.4	Low	62 Å²	62	66.4 Å²	66.4	32%	0.318	36%	0.355	S	S	.	.			trans	-119.9	75.2	179.6	-50.7	178.8	0	0	0	110.1	L833 Y838 I848	L833-I846 HydrophobicContact CD2-CB 4.02Å; L833-I846 HydrophobicContact CD2-CG2 3.86Å; Y838-I846 HydrophobicContact CD1-CD1 3.72Å; Y838-I846 HydrophobicContact CD2-CD1 4.28Å; Y838-I846 HydrophobicContact CE1-CD1 3.16Å; Y838-I846 HydrophobicContact CE2-CD1 3.81Å; Y838-I846 HydrophobicContact CG-CD1 4.26Å; Y838-I846 WeakPolarHBondContact OH-CD1 3.47Å; I846-I848 HydrophobicContact CG2-CG1 4.12Å; I846-I848 PolarHBondContact O-N 2.79Å; I846-I848 VanDerWaalsContact O-N 3.12Å
847	F	41.9	Very low	60.2	Low	118 Å²	118	61.5 Å²	61.5	52%	0.518	33%	0.329	S	S	.	.			trans	-79	88.1	166.6	-70	-80.4	0	0	0	109.6	E844 K849	E844-F847 WeakPolarHBondContact O-CE2 3.34Å; F847-K849 HydrophobicContact CB-CG 4.34Å; F847-K849 PolarHBondContact O-N 3.34Å
848	I	45.8	Very low	62.1	Low	28 Å²	28	61.7 Å²	61.7	14%	0.144	31%	0.311	C	S	.	.			trans	-64.5	93.5	159.2	-58.9	172.1	0	0	0	106.1	R829 E832 I846 S850	R829-I848 WeakPolarHBondContact CD-O 3.01Å; R829-I848 VanDerWaalsContact CG-O 3.26Å; R829-I848 WeakPolarHBondContact CG-O 3.37Å; E832-I848 HydrophobicContact CB-CD1 4.19Å; I846-I848 HydrophobicContact CG2-CG1 4.12Å; I846-I848 PolarHBondContact O-N 2.79Å; I846-I848 VanDerWaalsContact O-N 3.12Å; I848-S850 PolarHBondContact O-N 2.96Å
849	K	54.1	Low	64.1	Low	111 Å²	111	60.3 Å²	60.3	48%	0.483	31%	0.307	S	S	.	.			trans	-82.5	103.6	172.1	-76	-170.9	176.9	-176.4	0	108.5	F693 F847	F693-K849 HydrophobicContact CD1-CB 4.22Å; F693-K849 VanDerWaalsContact CD1-O 3.29Å; F693-K849 WeakPolarHBondContact CD1-O 3.37Å; F693-K849 HydrophobicContact CE1-CB 3.87Å; F847-K849 HydrophobicContact CB-CG 4.34Å; F847-K849 PolarHBondContact O-N 3.34Å
850	S	65.8	Low	66.2	Low	13 Å²	13	57.1 Å²	57.1	9%	0.091	29%	0.285	C	S	.	.			trans	-79.5	150.6	162.8	44.1	0	0	0	0	110.3	K694 H825 I848	K694-S850 WeakPolarHBondContact O-CA 3.4Å; H825-S850 WeakPolarHBondContact ND1-CB 3.35Å; H825-S850 PolarHBondContact ND1-OG 3.42Å; I848-S850 PolarHBondContact O-N 2.96Å
851	K	76.8	Confident	68.3	Low	55 Å²	55	56 Å²	56	24%	0.239	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	167	175	-69.7	-170.8	176.1	-163.4	0	110.1	E639 F693 K694 Q695 Y696	E639-K851 HydrophobicContact CB-CD 4.34Å; E639-K851 HydrophobicContact CG-CD 4.25Å; E639-K851 IonicContact OE1-NZ 2.8Å; E639-K851 PolarHBondContact OE1-NZ 3.47Å; E639-K851 WeakPolarHBondContact OE2-CE 3.45Å; E639-K851 IonicContact OE2-NZ 2.7Å; E639-K851 PolarHBondContact OE2-NZ 2.86Å; F693-K851 HydrophobicContact CD1-CD 4.01Å; F693-K851 HydrophobicContact CD1-CG 4.07Å; F693-K851 HydrophobicContact CE1-CD 4.29Å; K694-K851 PolarHBondContact O-N 3.16Å; K694-K851 VanDerWaalsContact O-N 3.08Å; Q695-K851 VanDerWaalsContact CA-O 3.23Å; Q695-K851 WeakPolarHBondContact CA-O 3.21Å; Q695-K851 HydrophobicContact CG-CB 4.48Å; Y696-K851 PolarHBondContact N-O 2.9Å
852	N	88.2	Confident	70.4	Confident	4 Å²	4	52.3 Å²	52.3	2%	0.021	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	167.1	167.7	-69.5	-18.3	0	0	0	111	E639 N640 S641 G818 G819 I820 H825 N854	E639-N852 VanDerWaalsContact O-CB 3.29Å; E639-N852 WeakPolarHBondContact O-CB 3.01Å; E639-N852 PolarHBondContact O-N 2.9Å; N640-N852 VanDerWaalsContact C-ND2 3.34Å; N640-N852 PolarHBondContact O-ND2 2.98Å; S641-N852 VanDerWaalsContact O-CB 3.27Å; S641-N852 WeakPolarHBondContact O-CB 3.48Å; S641-N852 PolarHBondContact O-ND2 2.92Å; G818-N852 WeakPolarHBondContact O-CB 3.44Å; G819-N852 WeakPolarHBondContact CA-OD1 3.26Å; I820-N852 PolarHBondContact N-OD1 2.83Å; I820-N852 PolarHBondContact O-ND2 2.87Å; I820-N852 PolarHBondContact O-OD1 3.36Å; H825-N852 PolarHBondContact CE1-OD1 2.89Å; H825-N852 PolarHBondContact NE2-OD1 2.82Å; N852-N854 PolarHBondContact O-N 3.24Å
853	F	89.7	Confident	72.5	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	23%	0.231	C	C	.	.			trans	-63	131.5	-179.8	159.2	-96.6	0	0	0	110.6	F637 F665 L667 Y696 L697 G818 G855 I857	F637-F853 CarbonylContact C-O 3.45Å; F637-F853 HydrophobicContact CB-CD1 3.65Å; F637-F853 HydrophobicContact CB-CE1 4.06Å; F637-F853 VanDerWaalsContact CB-O 3.31Å; F637-F853 WeakPolarHBondContact CB-O 3.47Å; F637-F853 HydrophobicContact CD2-CD1 4.2Å; F637-F853 HydrophobicContact CD2-CE1 4.08Å; F637-F853 AromaticContact CG-CD1 3.98Å; F637-F853 HydrophobicContact CG-CD1 3.98Å; F637-F853 HydrophobicContact CG-CE1 4.3Å; F665-F853 HydrophobicContact CB-CZ 4.18Å; F665-F853 AromaticContact CD2-CE2 3.75Å; F665-F853 HydrophobicContact CD2-CE2 3.75Å; F665-F853 HydrophobicContact CD2-CZ 4.09Å; F665-F853 HydrophobicContact CE2-CE2 4.44Å; L667-F853 HydrophobicContact CD2-CD2 4.1Å; L667-F853 HydrophobicContact CD2-CE2 3.63Å; Y696-F853 PolarHBondContact O-N 2.71Å; L697-F853 HydrophobicContact CD1-CB 4.15Å; L697-F853 HydrophobicContact CD1-CD1 4.14Å; L697-F853 HydrophobicContact CD1-CD2 3.62Å; L697-F853 HydrophobicContact CD1-CE1 4.45Å; L697-F853 HydrophobicContact CD1-CE2 3.91Å; L697-F853 HydrophobicContact CD1-CG 3.71Å; L697-F853 HydrophobicContact CD1-CZ 4.34Å; G818-F853 WeakPolarHBondContact O-CB 3.09Å; G818-F853 PolarHBondContact O-N 2.92Å; F853-G855 VanDerWaalsContact CE1-C 3.48Å; F853-I857 HydrophobicContact CE1-CD1 4.34Å; F853-I857 HydrophobicContact CE1-CG1 3.92Å; F853-I857 HydrophobicContact CZ-CG1 4.39Å
854	N	88.6	Confident	74.5	Confident	27 Å²	27	45 Å²	45	14%	0.144	23%	0.23	C	C	.	.			trans	-110.1	107.4	176.7	-170.6	-20.2	0	0	0	110	F637 S668 S671 N852	F637-N854 WeakPolarHBondContact O-CA 2.8Å; S668-N854 VanDerWaalsContact CB-O 3.3Å; S668-N854 WeakPolarHBondContact CB-O 3.38Å; S668-N854 VanDerWaalsContact CB-OD1 3.24Å; S668-N854 WeakPolarHBondContact CB-OD1 3.38Å; S668-N854 PolarHBondContact N-O 2.83Å; S668-N854 PolarHBondContact OG-OD1 2.83Å; S671-N854 PolarHBondContact OG-O 3.35Å; N852-N854 PolarHBondContact O-N 3.24Å
855	G	91.3	Very high	76.8	Confident	8 Å²	8	43.8 Å²	43.8	8%	0.082	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	162.3	-162.4	-174.2	0	0	0	0	0	113.2	A636 F637 R666 F853	A636-G855 WeakPolarHBondContact CA-O 3.26Å; F637-G855 PolarHBondContact N-O 2.85Å; F637-G855 PolarHBondContact O-N 3.02Å; R666-G855 CarbonylContact O-C 3.58Å; R666-G855 VanDerWaalsContact O-CA 3.25Å; R666-G855 WeakPolarHBondContact O-CA 3.49Å; F853-G855 VanDerWaalsContact CE1-C 3.48Å
856	C	93.3	Very high	79.2	Confident	12 Å²	12	43.6 Å²	43.6	8%	0.081	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	148	179.7	-70.2	0	0	0	0	112	A635 F665 R666 W779 C881	A635-C856 CarbonylContact O-C 3.51Å; A635-C856 WeakPolarHBondContact O-CA 3.23Å; F665-C856 CarbonylContact C-O 3.16Å; F665-C856 WeakPolarHBondContact CA-O 3.15Å; F665-C856 WeakPolarHBondContact CB-O 3.41Å; R666-C856 PolarHBondContact N-O 2.79Å; R666-C856 PolarHBondContact O-N 3.28Å; W779-C856 HydrophobicContact CH2-CB 3.7Å; W779-C856 HydrophobicContact CZ3-CB 4.19Å; C856-C881 HydrophobicContact CB-CB 3.7Å; C856-C881 WeakPolarHBondContact CB-SG 3.33Å; C856-C881 WeakPolarHBondContact SG-CB 3.36Å; C856-C881 CovalentContact SG-SG 2.02Å; C856-C881 PolarHBondContact SG-SG 3.36Å
857	I	93.8	Very high	81.4	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	112.8	167	-57	179.8	0	0	0	106.8	S634 A635 F637 L663 E664 F665 I817 F853 F869	S634-I857 CarbonylContact C-O 3.32Å; S634-I857 VanDerWaalsContact CA-O 3.27Å; S634-I857 WeakPolarHBondContact CA-O 3.3Å; A635-I857 PolarHBondContact N-O 3.41Å; A635-I857 PolarHBondContact O-N 2.9Å; F637-I857 HydrophobicContact CD2-CD1 4.11Å; F637-I857 HydrophobicContact CD2-CG1 4.08Å; F637-I857 HydrophobicContact CE2-CB 4Å; F637-I857 HydrophobicContact CE2-CD1 3.58Å; F637-I857 HydrophobicContact CE2-CG1 3.77Å; F637-I857 HydrophobicContact CZ-CD1 3.99Å; L663-I857 HydrophobicContact CB-CG2 4.19Å; E664-I857 CarbonylContact O-C 3.59Å; E664-I857 WeakPolarHBondContact O-CA 3.44Å; F665-I857 HydrophobicContact CB-CG1 4.04Å; I817-I857 HydrophobicContact CG2-CD1 3.46Å; I817-I857 VanDerWaalsContact CG2-CD1 3.46Å; F853-I857 HydrophobicContact CE1-CD1 4.34Å; F853-I857 HydrophobicContact CE1-CG1 3.92Å; F853-I857 HydrophobicContact CZ-CG1 4.39Å; I857-F869 HydrophobicContact CB-CE2 4.49Å; I857-F869 HydrophobicContact CB-CZ 4.03Å; I857-F869 HydrophobicContact CG2-CE2 4.48Å; I857-F869 HydrophobicContact CG2-CZ 3.94Å
858	K	91.3	Very high	83.5	Confident	69 Å²	69	37.2 Å²	37.2	30%	0.3	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	-23.6	-177.2	63.8	177.2	170.6	161.9	0	114	Q633 E664 W779	Q633-K858 CarbonylContact C-O 3.53Å; Q633-K858 CarbonylContact O-C 3.35Å; Q633-K858 VanDerWaalsContact O-C 3.31Å; Q633-K858 VanDerWaalsContact O-O 3.06Å; E664-K858 HydrophobicContact CB-CD 4.41Å; E664-K858 VanDerWaalsContact CB-CE 3.48Å; E664-K858 HydrophobicContact CB-CG 3.88Å; E664-K858 PolarHBondContact O-N 2.87Å; E664-K858 WeakPolarHBondContact OE2-CE 3.43Å; E664-K858 IonicContact OE2-NZ 2.74Å; E664-K858 PolarHBondContact OE2-NZ 3.12Å; W779-K858 HydrophobicContact CD2-CD 3.57Å; W779-K858 HydrophobicContact CD2-CG 4.14Å; W779-K858 HydrophobicContact CE3-CB 4.3Å; W779-K858 HydrophobicContact CE3-CD 3.61Å; W779-K858 VanDerWaalsContact CE3-CE 3.48Å; W779-K858 HydrophobicContact CE3-CG 3.63Å; W779-K858 HydrophobicContact CG-CD 4.22Å; W779-K858 HydrophobicContact CH2-CB 3.5Å; W779-K858 HydrophobicContact CH2-CD 3.95Å; W779-K858 HydrophobicContact CH2-CG 3.78Å; W779-K858 HydrophobicContact CZ2-CB 4.12Å; W779-K858 HydrophobicContact CZ2-CD 3.9Å; W779-K858 HydrophobicContact CZ2-CG 4.26Å; W779-K858 HydrophobicContact CZ3-CB 3.61Å; W779-K858 HydrophobicContact CZ3-CD 3.81Å; W779-K858 HydrophobicContact CZ3-CG 3.44Å; W779-K858 VanDerWaalsContact CZ3-CG 3.44Å
859	K	91	Very high	85.3	Confident	65 Å²	65	35.9 Å²	35.9	28%	0.283	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	132.5	-176.2	-164.9	178.3	-175.4	-162.5	0	109.3	L663 E664 E861	L663-K859 CarbonylContact C-O 3.59Å; L663-K859 VanDerWaalsContact CA-O 3.25Å; L663-K859 WeakPolarHBondContact CA-O 3.29Å; E664-K859 HydrophobicContact CB-CB 4.19Å; E664-K859 HydrophobicContact CG-CB 4.45Å; E664-K859 PolarHBondContact N-O 3.4Å; K859-E861 WeakPolarHBondContact CE-OE1 3.21Å; K859-E861 IonicContact NZ-OE1 2.66Å; K859-E861 PolarHBondContact NZ-OE1 2.79Å
860	L	90.7	Very high	86.4	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	125.7	173.8	177.2	64.9	0	0	0	108.3	F645 I661 S662 L663 I817 I862 T867 F869	F645-L860 HydrophobicContact CE2-CD2 3.82Å; F645-L860 HydrophobicContact CZ-CD2 3.51Å; I661-L860 HydrophobicContact CG2-CD1 4.29Å; S662-L860 CarbonylContact O-C 3.58Å; S662-L860 WeakPolarHBondContact O-CA 3.44Å; L663-L860 HydrophobicContact CB-CD1 4.08Å; I817-L860 HydrophobicContact CG1-CD1 4.48Å; L860-I862 HydrophobicContact CD1-CG1 4.5Å; L860-I862 HydrophobicContact CG-CG1 4.46Å; L860-T867 HydrophobicContact CD2-CG2 4.18Å; L860-T867 PolarHBondContact O-N 2.81Å; L860-F869 HydrophobicContact CB-CZ 4.41Å; L860-F869 HydrophobicContact CD2-CE1 4Å; L860-F869 HydrophobicContact CD2-CZ 4.38Å
861	E	90.3	Very high	86.9	Confident	37 Å²	37	34.8 Å²	34.8	17%	0.173	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	129.8	173.3	-61.3	171.1	159.6	0	0	109.4	S662 K859 H865	S662-E861 PolarHBondContact N-O 2.93Å; S662-E861 PolarHBondContact O-N 3.46Å; K859-E861 WeakPolarHBondContact CE-OE1 3.21Å; K859-E861 IonicContact NZ-OE1 2.66Å; K859-E861 PolarHBondContact NZ-OE1 2.79Å; E861-H865 VanDerWaalsContact CA-O 3.26Å; E861-H865 WeakPolarHBondContact CA-O 3.27Å
862	I	87.6	Confident	87.3	Confident	6 Å²	6	32.8 Å²	32.8	3%	0.031	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	123.9	175.5	-60.2	178.7	0	0	0	107	F645 L650 Y659 H660 L815 L860 G864 H865 T867	F645-I862 HydrophobicContact CD1-CD1 4.23Å; F645-I862 HydrophobicContact CD2-CD1 4.36Å; F645-I862 HydrophobicContact CE1-CD1 4.23Å; F645-I862 HydrophobicContact CE2-CD1 4.37Å; F645-I862 HydrophobicContact CG-CD1 4.29Å; F645-I862 HydrophobicContact CZ-CD1 4.3Å; L650-I862 HydrophobicContact CD2-CD1 3.59Å; L650-I862 HydrophobicContact CD2-CG2 3.98Å; Y659-I862 HydrophobicContact CE2-CG2 3.91Å; Y659-I862 WeakPolarHBondContact OH-CG2 3.49Å; H660-I862 CarbonylContact O-C 3.5Å; H660-I862 WeakPolarHBondContact O-CA 3.46Å; L815-I862 HydrophobicContact CD2-CD1 3.85Å; L860-I862 HydrophobicContact CD1-CG1 4.5Å; L860-I862 HydrophobicContact CG-CG1 4.46Å; I862-G864 PolarHBondContact O-N 2.85Å; I862-G864 VanDerWaalsContact O-N 3.16Å; I862-H865 PolarHBondContact N-O 2.89Å; I862-H865 PolarHBondContact O-N 2.66Å; I862-T867 HydrophobicContact CD1-CG2 4.17Å
863	N	86.5	Confident	87.1	Confident	43 Å²	43	35 Å²	35	23%	0.23	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.2	34.8	-175.9	-59.4	-37.6	0	0	0	113.5	Y659 H660 H865	Y659-N863 WeakPolarHBondContact CA-OD1 3.36Å; Y659-N863 WeakPolarHBondContact CD2-ND2 3.36Å; Y659-N863 WeakPolarHBondContact CD2-OD1 3.47Å; Y659-N863 WeakPolarHBondContact CE2-ND2 3.27Å; H660-N863 PolarHBondContact N-OD1 2.74Å; H660-N863 PolarHBondContact O-N 3.4Å; N863-H865 VanDerWaalsContact C-N 3.27Å; N863-H865 PolarHBondContact O-N 3.37Å
864	G	84.7	Confident	87	Confident	54 Å²	54	38.6 Å²	38.6	56%	0.557	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.9	-0	-178.7	0	0	0	0	0	115.1	I862	I862-G864 PolarHBondContact O-N 2.85Å; I862-G864 VanDerWaalsContact O-N 3.16Å
865	H	86.5	Confident	86.9	Confident	124 Å²	124	37.3 Å²	37.3	57%	0.574	23%	0.232	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-95.6	124.7	175.7	-65.7	-63	0	0	0	111.2	E861 I862 N863 T867	E861-H865 VanDerWaalsContact CA-O 3.26Å; E861-H865 WeakPolarHBondContact CA-O 3.27Å; I862-H865 PolarHBondContact N-O 2.89Å; I862-H865 PolarHBondContact O-N 2.66Å; N863-H865 VanDerWaalsContact C-N 3.27Å; N863-H865 PolarHBondContact O-N 3.37Å; H865-T867 PolarHBondContact O-N 2.86Å; H865-T867 PolarHBondContact O-OG1 3.29Å; H865-T867 VanDerWaalsContact O-OG1 3.1Å
866	P	86	Confident	86.8	Confident	79 Å²	79	38.4 Å²	38.4	51%	0.513	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.4	124.8	170.4	-22.5	32.8	0	0	0	110.5
867	T	85.8	Confident	86.6	Confident	16 Å²	16	39.9 Å²	39.9	10%	0.098	24%	0.243	C	C	.	.			trans	-112.2	123.4	-173.3	-57.5	0	0	0	0	109.3	F645 L860 I862 H865	F645-T867 HydrophobicContact CD1-CG2 4.35Å; F645-T867 HydrophobicContact CE1-CG2 3.35Å; F645-T867 HydrophobicContact CZ-CG2 3.73Å; L860-T867 HydrophobicContact CD2-CG2 4.18Å; L860-T867 PolarHBondContact O-N 2.81Å; I862-T867 HydrophobicContact CD1-CG2 4.17Å; H865-T867 PolarHBondContact O-N 2.86Å; H865-T867 PolarHBondContact O-OG1 3.29Å; H865-T867 VanDerWaalsContact O-OG1 3.1Å
868	S	84.6	Confident	86.4	Confident	31 Å²	31	40 Å²	40	22%	0.217	24%	0.243	C	C	.	.			trans	-82.5	144.4	175	178.9	0	0	0	0	110.6	W629 K632 G870 S871	W629-S868 PolarHBondContact O-OG 3.24Å; K632-S868 PolarHBondContact O-OG 3.37Å; S868-G870 PolarHBondContact O-N 3.46Å; S868-G870 PolarHBondContact OG-N 3.02Å; S868-G870 VanDerWaalsContact OG-N 3.12Å; S868-S871 PolarHBondContact O-N 2.93Å; S868-S871 PolarHBondContact O-OG 3.29Å
869	F	84.7	Confident	86.2	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-67.2	-12.2	170.2	-68.9	-66	0	0	0	113	W629 Q633 A635 F637 V643 I857 L860 V872 I878	W629-F869 HydrophobicContact CD2-CB 4.3Å; W629-F869 HydrophobicContact CE3-CB 3.82Å; W629-F869 HydrophobicContact CH2-CB 4.25Å; W629-F869 HydrophobicContact CZ3-CB 3.8Å; W629-F869 HydrophobicContact CZ3-CD2 4.33Å; W629-F869 HydrophobicContact CZ3-CG 4.46Å; Q633-F869 WeakPolarHBondContact O-CE2 2.91Å; A635-F869 HydrophobicContact CB-CD1 4.38Å; A635-F869 HydrophobicContact CB-CD2 3.34Å; A635-F869 HydrophobicContact CB-CE1 4.46Å; A635-F869 HydrophobicContact CB-CE2 3.42Å; A635-F869 VanDerWaalsContact CB-CE2 3.42Å; A635-F869 HydrophobicContact CB-CG 3.85Å; A635-F869 HydrophobicContact CB-CZ 4.02Å; F637-F869 HydrophobicContact CE2-CE1 4.28Å; F637-F869 HydrophobicContact CE2-CZ 4.08Å; F637-F869 HydrophobicContact CZ-CD1 4.46Å; F637-F869 AromaticContact CZ-CE1 3.78Å; F637-F869 HydrophobicContact CZ-CE1 3.78Å; F637-F869 HydrophobicContact CZ-CZ 4.05Å; V643-F869 HydrophobicContact CG1-CD1 4.14Å; V643-F869 HydrophobicContact CG2-CD1 4.15Å; V643-F869 HydrophobicContact CG2-CE1 4.05Å; I857-F869 HydrophobicContact CB-CE2 4.49Å; I857-F869 HydrophobicContact CB-CZ 4.03Å; I857-F869 HydrophobicContact CG2-CE2 4.48Å; I857-F869 HydrophobicContact CG2-CZ 3.94Å; L860-F869 HydrophobicContact CB-CZ 4.41Å; L860-F869 HydrophobicContact CD2-CE1 4Å; L860-F869 HydrophobicContact CD2-CZ 4.38Å; F869-V872 WeakPolarHBondContact O-CG1 3.36Å; F869-V872 WeakPolarHBondContact O-CG2 3.31Å; F869-I878 HydrophobicContact CB-CD1 4.2Å
870	G	76.2	Confident	86	Confident	37 Å²	37	39.9 Å²	39.9	38%	0.381	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-76.4	-16.8	172.9	0	0	0	0	0	115	S868	S868-G870 PolarHBondContact O-N 3.46Å; S868-G870 PolarHBondContact OG-N 3.02Å; S868-G870 VanDerWaalsContact OG-N 3.12Å
871	S	77.4	Confident	85.7	Confident	63 Å²	63	40.4 Å²	40.4	44%	0.441	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-99.4	14.8	-178.5	54.6	0	0	0	0	113.7	S868	S868-S871 PolarHBondContact O-N 2.93Å; S868-S871 PolarHBondContact O-OG 3.29Å
872	V	84	Confident	84.9	Confident	13 Å²	13	47.2 Å²	47.2	8%	0.079	30%	0.296	C	S	.	.			trans	-76	150.7	179.6	-51.4	0	0	0	0	110.1	L616 V643 F645 F869	L616-V872 HydrophobicContact CD1-CG2 3.5Å; L616-V872 HydrophobicContact CD2-CG2 3.27Å; L616-V872 HydrophobicContact CG-CG2 3.92Å; V643-V872 HydrophobicContact CB-CB 4.3Å; V643-V872 HydrophobicContact CB-CG1 3.94Å; V643-V872 HydrophobicContact CB-CG2 4.39Å; V643-V872 HydrophobicContact CG1-CG1 4.26Å; V643-V872 HydrophobicContact CG1-CG2 4.39Å; V643-V872 HydrophobicContact CG2-CG1 4.39Å; F645-V872 HydrophobicContact CD1-CG1 4.3Å; F645-V872 HydrophobicContact CE1-CB 4.35Å; F645-V872 HydrophobicContact CE1-CG1 3.59Å; F645-V872 HydrophobicContact CE2-CG1 4.14Å; F645-V872 HydrophobicContact CZ-CG1 3.51Å; F869-V872 WeakPolarHBondContact O-CG1 3.36Å; F869-V872 WeakPolarHBondContact O-CG2 3.31Å
873	A	85.2	Confident	84.8	Confident	51 Å²	51	49.3 Å²	49.3	42%	0.421	31%	0.309	S	S	.	.	S	Bend	trans	-77.1	-32.5	-178.7	0	0	0	0	0	112.4	K644 T646	K644-A873 WeakPolarHBondContact O-CB 3.44Å; K644-A873 PolarHBondContact O-N 2.81Å; T646-A873 HydrophobicContact CG2-CB 3.65Å
874	D	87.5	Confident	84.7	Confident	75 Å²	75	49.6 Å²	49.6	40%	0.401	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	161.9	-178.7	-176.7	21.9	0	0	0	108.6	K644	K644-D874 HydrophobicContact CB-CB 4.09Å; K644-D874 HydrophobicContact CD-CB 4.12Å; K644-D874 PolarHBondContact N-O 2.96Å; K644-D874 PolarHBondContact O-N 2.94Å
875	G	87.2	Confident	84.7	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	162.7	154.8	179.2	0	0	0	0	0	112.6	L616 F642	L616-G875 PolarHBondContact N-O 2.8Å; F642-G875 CarbonylContact O-C 3.54Å; F642-G875 WeakPolarHBondContact O-CA 3.25Å
876	N	89.2	Confident	84.6	Confident	32 Å²	32	44.9 Å²	44.9	17%	0.171	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	148.1	-175.7	-72.3	-20	0	0	0	111.6	C614 S641 F642 I878	C614-N876 CarbonylContact O-C 3.56Å; C614-N876 VanDerWaalsContact O-CA 3.25Å; C614-N876 WeakPolarHBondContact O-CA 3.37Å; S641-N876 WeakPolarHBondContact CA-O 3.3Å; S641-N876 WeakPolarHBondContact CB-O 3.18Å; F642-N876 HydrophobicContact CD1-CB 4.41Å; F642-N876 HydrophobicContact CE1-CB 4.03Å; F642-N876 PolarHBondContact N-O 3.41Å; F642-N876 VanDerWaalsContact N-O 3.15Å; F642-N876 PolarHBondContact O-N 2.83Å; N876-I878 VanDerWaalsContact C-N 3.28Å; N876-I878 PolarHBondContact O-N 3.04Å
877	D	87.5	Confident	84.5	Confident	43 Å²	43	42.8 Å²	42.8	23%	0.23	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	52.7	39.3	167.6	-160	31.6	0	0	0	114.1	L613 C614 S641	L613-D877 HydrophobicContact CD2-CB 4.41Å; C614-D877 PolarHBondContact O-N 2.83Å; S641-D877 VanDerWaalsContact CB-O 3.32Å; S641-D877 WeakPolarHBondContact CB-O 3.34Å; S641-D877 PolarHBondContact OG-O 3Å
878	I	89.5	Confident	84.4	Confident	2 Å²	2	44.6 Å²	44.6	1%	0.01	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	132.5	173	56.3	162.3	0	0	0	110.4	L616 I627 W629 A636 F637 V643 F869 N876	L616-I878 HydrophobicContact CD1-CD1 3.26Å; L616-I878 HydrophobicContact CD1-CG1 3.92Å; I627-I878 WeakPolarHBondContact CD1-O 3.49Å; W629-I878 HydrophobicContact CH2-CD1 4.06Å; W629-I878 HydrophobicContact CH2-CG1 4.4Å; W629-I878 HydrophobicContact CZ2-CB 4.39Å; W629-I878 HydrophobicContact CZ2-CD1 3.63Å; W629-I878 HydrophobicContact CZ2-CG1 3.83Å; A636-I878 WeakPolarHBondContact O-CA 3.11Å; F637-I878 HydrophobicContact CD1-CG2 3.75Å; F637-I878 HydrophobicContact CE1-CG2 3.54Å; F637-I878 HydrophobicContact CG-CG2 4.41Å; F637-I878 HydrophobicContact CZ-CG2 4.04Å; V643-I878 HydrophobicContact CG1-CD1 3.48Å; V643-I878 VanDerWaalsContact CG1-CD1 3.48Å; V643-I878 HydrophobicContact CG1-CG1 4.32Å; V643-I878 HydrophobicContact CG1-CG2 3.9Å; F869-I878 HydrophobicContact CB-CD1 4.2Å; N876-I878 VanDerWaalsContact C-N 3.28Å; N876-I878 PolarHBondContact O-N 3.04Å
879	T	88.7	Confident	84.4	Confident	44 Å²	44	45.6 Å²	45.6	27%	0.27	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	172	178.3	59.1	0	0	0	0	110.4	Q619 A635 A636 C881	Q619-T879 HydrophobicContact CB-CG2 3.94Å; A635-T879 CarbonylContact C-O 3.49Å; A635-T879 WeakPolarHBondContact CA-O 3.25Å; A636-T879 PolarHBondContact N-O 3.28Å; A636-T879 PolarHBondContact O-N 3.37Å; T879-C881 PolarHBondContact O-N 2.98Å
880	Q	85.3	Confident	84.4	Confident	87 Å²	87	49.1 Å²	49.1	41%	0.407	31%	0.307	S	S	.	.			trans	-68.8	125.7	172.4	-178.9	172.5	-8.3	0	0	109.5	K632 T882	K632-Q880 HydrophobicContact CD-CG 4.49Å; Q880-T882 PolarHBondContact O-N 3.21Å
881	C	86.1	Confident	85.1	Confident	12 Å²	12	50.1 Å²	50.1	8%	0.081	30%	0.301	C	S	.	.			trans	-74	117.7	169.7	177.6	0	0	0	0	109.4	S634 A636 C856 T879	S634-C881 WeakPolarHBondContact OG-CB 3.42Å; A636-C881 HydrophobicContact CB-CB 3.94Å; C856-C881 HydrophobicContact CB-CB 3.7Å; C856-C881 WeakPolarHBondContact CB-SG 3.33Å; C856-C881 WeakPolarHBondContact SG-CB 3.36Å; C856-C881 CovalentContact SG-SG 2.02Å; C856-C881 PolarHBondContact SG-SG 3.36Å; T879-C881 PolarHBondContact O-N 2.98Å
882	T	73.5	Confident	85.8	Confident	179 Å²	179	48.9 Å²	48.9	100%	1.098	29%	0.288	S	S	*	.			trans	-91.2	0	175.7	55	0	0	0	0	112.2	Q880	Q880-T882 PolarHBondContact O-N 3.21Å

Retrieved 882 of 882 residues in 275.5 ms (Link to these results)

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