A0A087YCU0_POEFO Loading...

Transmembrane p24 trafficking protein 8

AlphaFold DB , UniProt , Accession A0A087YCU0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 233 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.5	Very low	41.4	Very low	246 Å²	246	114.1 Å²	114.1	100%	1.212	61%	0.61	S	S	*	*				0	96.9	0	-134.5	168.6	-170.5	0	0	106.2	Q3	M1-Q3 PolarHBondContact O-N 3.41Å
2	L	31.8	Very low	41.3	Very low	176 Å²	176	115.4 Å²	115.4	92%	0.921	60%	0.601	S	S	*	*			trans	-77.7	106.4	-178.2	-84	133.7	0	0	0	107.6	S4	L2-S4 VanDerWaalsContact C-N 3.26Å; L2-S4 PolarHBondContact O-N 3.37Å
3	Q	37.6	Very low	41	Very low	171 Å²	171	116.1 Å²	116.1	80%	0.799	60%	0.596	S	S	*	*			trans	-61	99	155.4	-85.5	175.2	-20	0	0	105.6	M1 C5	M1-Q3 PolarHBondContact O-N 3.41Å; Q3-C5 VanDerWaalsContact C-N 3.3Å; Q3-C5 PolarHBondContact O-N 3.28Å
4	S	37.1	Very low	40.5	Very low	98 Å²	98	118.1 Å²	118.1	69%	0.685	61%	0.607	S	S	*	*			trans	-67.6	95.8	172.8	-171.7	0	0	0	0	106.8	L2 Q6	L2-S4 VanDerWaalsContact C-N 3.26Å; L2-S4 PolarHBondContact O-N 3.37Å; S4-Q6 PolarHBondContact O-N 3.03Å
5	C	39	Very low	40.4	Very low	124 Å²	124	117.7 Å²	117.7	84%	0.838	61%	0.607	S	S	*	*			trans	-64.9	88	168.2	-88.3	0	0	0	0	107.7	Q3	Q3-C5 VanDerWaalsContact C-N 3.3Å; Q3-C5 PolarHBondContact O-N 3.28Å
6	Q	46.9	Very low	40.3	Very low	77 Å²	77	117.3 Å²	117.3	36%	0.36	61%	0.611	S	S	.	*			trans	-71.7	136.9	170.2	-143.9	158.3	-8.3	0	0	108.1	S4 V8 Y231	S4-Q6 PolarHBondContact O-N 3.03Å; Q6-V8 PolarHBondContact O-N 2.9Å; Q6-Y231 HydrophobicContact CB-CD2 4.47Å; Q6-Y231 HydrophobicContact CB-CE2 4.47Å
7	K	44.8	Very low	39.9	Very low	181 Å²	181	116.9 Å²	116.9	79%	0.787	61%	0.608	S	S	*	*			trans	-68.8	96	-169.2	-158.8	176.2	-174.3	-179.2	0	109.7	T9	K7-T9 PolarHBondContact O-N 2.77Å; K7-T9 PolarHBondContact O-OG1 3.45Å
8	V	51.7	Low	39.3	Very low	50 Å²	50	120.9 Å²	120.9	30%	0.303	62%	0.616	S	S	.	*			trans	-57.6	121.2	166.8	-177.9	0	0	0	0	106.8	Q6 V10 I143	Q6-V8 PolarHBondContact O-N 2.9Å; V8-V10 HydrophobicContact CG1-CG2 3.91Å; V8-I143 HydrophobicContact CG1-CB 4.4Å; V8-I143 HydrophobicContact CG1-CG2 4.03Å; V8-I143 HydrophobicContact CG2-CD1 4.11Å
9	T	47.8	Very low	38.8	Very low	58 Å²	58	124.7 Å²	124.7	36%	0.356	63%	0.628	S	S	.	*			trans	-110.4	94.5	179.1	-57	0	0	0	0	107.4	K7 T11 I143	K7-T9 PolarHBondContact O-N 2.77Å; K7-T9 PolarHBondContact O-OG1 3.45Å; T9-T11 HydrophobicContact CG2-CG2 4.23Å; T9-T11 PolarHBondContact O-N 2.82Å; T9-I143 CarbonylContact C-O 3.54Å; T9-I143 PolarHBondContact N-O 2.86Å
10	V	44.1	Very low	38.5	Very low	17 Å²	17	121.9 Å²	121.9	10%	0.103	62%	0.624	C	S	.	*			trans	-75.8	99.9	176.7	177.4	0	0	0	0	109	V8 W12 D92 V145	V8-V10 HydrophobicContact CG1-CG2 3.91Å; V10-W12 HydrophobicContact CG1-CD2 4.37Å; V10-W12 HydrophobicContact CG1-CZ2 4.23Å; V10-D92 HydrophobicContact CB-CB 3.58Å; V10-D92 HydrophobicContact CG1-CB 4.36Å; V10-D92 HydrophobicContact CG2-CB 3.22Å; V10-V145 HydrophobicContact CB-CG2 4.46Å; V10-V145 HydrophobicContact CG1-CB 4.23Å; V10-V145 HydrophobicContact CG1-CG2 4.11Å; V10-V145 HydrophobicContact CG2-CG2 3.91Å
11	T	41.2	Very low	38.2	Very low	57 Å²	57	122.8 Å²	122.8	35%	0.35	63%	0.629	S	S	.	*			trans	-86.6	104.9	167.6	51.1	0	0	0	0	108.4	T9 K13	T9-T11 HydrophobicContact CG2-CG2 4.23Å; T9-T11 PolarHBondContact O-N 2.82Å; T11-K13 PolarHBondContact O-N 2.88Å
12	W	40.2	Very low	38.2	Very low	130 Å²	130	117.6 Å²	117.6	49%	0.492	61%	0.611	S	S	.	*			trans	-69.5	107.6	162.3	-55	89.2	0	0	0	107.4	V10 L14 V95 I147	V10-W12 HydrophobicContact CG1-CD2 4.37Å; V10-W12 HydrophobicContact CG1-CZ2 4.23Å; W12-L14 VanDerWaalsContact C-N 3.3Å; W12-L14 PolarHBondContact O-N 3.26Å; W12-V95 HydrophobicContact CH2-CB 4.13Å; W12-V95 HydrophobicContact CH2-CG1 3.63Å; W12-V95 HydrophobicContact CH2-CG2 3.69Å; W12-V95 HydrophobicContact CZ2-CG2 4.08Å; W12-V95 HydrophobicContact CZ3-CG1 3.89Å; W12-I147 HydrophobicContact CE3-CD1 4.12Å; W12-I147 HydrophobicContact CZ3-CD1 3.88Å
13	K	37.9	Very low	38.1	Very low	124 Å²	124	115.2 Å²	115.2	54%	0.539	61%	0.608	S	S	.	*			trans	-68.4	99.6	158.6	-72.8	-168.9	178.4	-172	0	105.9	T11 N15 H146	T11-K13 PolarHBondContact O-N 2.88Å; K13-N15 PolarHBondContact O-N 3.2Å; K13-H146 WeakPolarHBondContact CE-CE1 3.16Å; K13-H146 PolarHBondContact NZ-CE1 2.69Å
14	L	33.1	Very low	37.7	Very low	145 Å²	145	115.1 Å²	115.1	76%	0.759	61%	0.607	S	S	*	*			trans	-64.5	81	155.2	-87.1	94.7	0	0	0	106.3	W12 V16	W12-L14 VanDerWaalsContact C-N 3.3Å; W12-L14 PolarHBondContact O-N 3.26Å; L14-V16 PolarHBondContact O-N 2.91Å
15	N	38.8	Very low	37.4	Very low	111 Å²	111	118.1 Å²	118.1	59%	0.594	61%	0.613	S	S	*	*			trans	-84.4	63.6	157.5	-79	-14.9	0	0	0	107.5	K13 I17	K13-N15 PolarHBondContact O-N 3.2Å; N15-I17 PolarHBondContact O-N 2.72Å
16	V	38.9	Very low	36.9	Very low	112 Å²	112	120.7 Å²	120.7	68%	0.679	61%	0.612	S	S	*	*			trans	-86.5	74.3	142.3	-176.3	0	0	0	0	104.5	L14 Y18	L14-V16 PolarHBondContact O-N 2.91Å; V16-Y18 HydrophobicContact CG1-CD2 4.2Å; V16-Y18 HydrophobicContact CG1-CE2 4.49Å
17	I	33.7	Very low	35.9	Very low	110 Å²	110	122.7 Å²	122.7	56%	0.564	63%	0.629	S	S	*	*			trans	-102.7	96.4	163	-53.8	179.5	0	0	0	104.4	N15 F19	N15-I17 PolarHBondContact O-N 2.72Å; I17-F19 HydrophobicContact CG2-CD2 3.79Å; I17-F19 PolarHBondContact O-N 2.64Å
18	Y	29.8	Very low	35.1	Very low	189 Å²	189	122.4 Å²	122.4	74%	0.741	63%	0.63	S	S	*	*			trans	-42.4	100.1	147.3	-91.2	-105.6	0	0	0	107.7	V16 A20	V16-Y18 HydrophobicContact CG1-CD2 4.2Å; V16-Y18 HydrophobicContact CG1-CE2 4.49Å; Y18-A20 VanDerWaalsContact C-N 3.31Å
19	F	30.3	Very low	33.7	Very low	194 Å²	194	128.5 Å²	128.5	85%	0.851	65%	0.653	S	S	*	*			trans	-106.5	46.2	157.1	-126.2	-85.1	0	0	0	108.9	I17	I17-F19 HydrophobicContact CG2-CD2 3.79Å; I17-F19 PolarHBondContact O-N 2.64Å
20	A	32.2	Very low	32.8	Very low	67 Å²	67	134.6 Å²	134.6	55%	0.554	68%	0.677	S	S	*	*	S	Bend	trans	-134.6	133.4	157.9	0	0	0	0	0	107	Y18	Y18-A20 VanDerWaalsContact C-N 3.31Å
21	I	32.3	Very low	31.8	Very low	141 Å²	141	137.1 Å²	137.1	72%	0.723	71%	0.707	S	S	*	*	S	Bend	trans	85.8	58.6	-175	-37.4	165.8	0	0	0	114.6
22	T	32.2	Very low	31.1	Very low	137 Å²	137	141.5 Å²	141.5	84%	0.84	73%	0.728	S	S	*	*				-131.9	45.6	126.6	10.9	0	0	0	0	110.1	H24	T22-H24 PolarHBondContact O-N 2.96Å
23	C	30.2	Very low	30.7	Very low	126 Å²	126	143.4 Å²	143.4	85%	0.851	74%	0.743	S	S	*	*			trans	-85.5	74.1	154	-143.8	0	0	0	0	106.7
24	H	29.7	Very low	30.2	Very low	170 Å²	170	146.4 Å²	146.4	79%	0.787	76%	0.758	S	S	*	*			trans	-95.7	111.9	161.9	-116.1	64.8	0	0	0	107.2	T22 H26	T22-H24 PolarHBondContact O-N 2.96Å; H24-H26 PolarHBondContact O-N 3.25Å
25	M	30.8	Very low	30.1	Very low	161 Å²	161	143.8 Å²	143.8	79%	0.793	76%	0.758	S	S	*	*			trans	-34.8	121.3	164.9	-72.1	168.5	52.8	0	0	111.6
26	H	27.5	Very low	30.1	Very low	177 Å²	177	144.8 Å²	144.8	82%	0.819	77%	0.77	S	S	*	*			trans	-142.2	97.6	135.4	-123.4	65.1	0	0	0	109.6	H24 H28	H24-H26 PolarHBondContact O-N 3.25Å; H26-H28 PolarHBondContact O-N 2.78Å
27	V	27.8	Very low	29.8	Very low	120 Å²	120	144 Å²	144	73%	0.727	78%	0.775	S	S	*	*			trans	-62.8	120	156.5	-177.6	0	0	0	0	106.3
28	H	26.2	Very low	29.7	Very low	174 Å²	174	147.3 Å²	147.3	81%	0.806	79%	0.789	S	S	*	*			trans	-153.9	146.5	144.6	-114.9	-79.8	0	0	0	112.2	H26	H26-H28 PolarHBondContact O-N 2.78Å
29	F	23.7	Very low	29.6	Very low	178 Å²	178	146.1 Å²	146.1	78%	0.781	79%	0.794	S	S	*	*			trans	-99.5	156.4	-156	179.9	-95.5	0	0	0	112.4
30	Q	28.2	Very low	29.7	Very low	186 Å²	186	141.1 Å²	141.1	87%	0.869	79%	0.789	S	S	*	*			trans	130.4	128.5	162.7	-77.3	171.2	-8.3	0	0	110.1
31	G	23.8	Very low	29.4	Very low	70 Å²	70	146.1 Å²	146.1	72%	0.722	81%	0.805	S	S	*	*			cis	137.4	119	8.3	0	0	0	0	0	109.3
32	N	26.1	Very low	29.3	Very low	149 Å²	149	143.1 Å²	143.1	80%	0.797	81%	0.809	S	S	*	*			trans	61.3	150	167.9	-92.3	30	0	0	0	118.7
33	E	30.6	Very low	29.2	Very low	171 Å²	171	145.7 Å²	145.7	80%	0.799	81%	0.811	S	S	*	*			cis	-162.9	179.4	28.7	-145.4	157.2	115.9	0	0	112.3
34	E	27.7	Very low	29	Very low	186 Å²	186	143.6 Å²	143.6	87%	0.869	81%	0.811	S	S	*	*			trans	-67.3	169.7	-160.8	-114.8	170.9	147.5	0	0	121.3
35	A	31	Very low	29	Very low	90 Å²	90	139.4 Å²	139.4	74%	0.744	81%	0.814	S	S	*	*			trans	-73	-174.1	175.8	0	0	0	0	0	113.9
36	P	39.6	Very low	29	Very low	132 Å²	132	140.2 Å²	140.2	86%	0.857	82%	0.816	S	S	*	*				-151.5	-175.2	64.4	37.2	-12.9	0	0	0	116.8
37	A	32.2	Very low	29.2	Very low	95 Å²	95	139.7 Å²	139.7	79%	0.785	81%	0.814	S	S	*	*			trans	-91.6	168.4	-175.6	0	0	0	0	0	115.4
38	E	32	Very low	29.3	Very low	181 Å²	181	141.4 Å²	141.4	85%	0.846	82%	0.819	S	S	*	*			trans	-168.2	122.6	149.4	-105.2	-165.9	119.6	0	0	107.7
39	L	27.6	Very low	29.7	Very low	164 Å²	164	140.6 Å²	140.6	86%	0.859	82%	0.821	S	S	*	*				72.3	119.7	63.9	-67.9	-174.6	0	0	0	116.7
40	A	32.5	Very low	30.2	Very low	89 Å²	89	137.7 Å²	137.7	74%	0.736	82%	0.822	S	S	*	*			trans	165.4	112.6	136.5	0	0	0	0	0	110.1
41	L	26.5	Very low	30.8	Very low	171 Å²	171	133.8 Å²	133.8	90%	0.895	82%	0.822	S	S	*	*				83	127.5	80.8	-95.2	155.2	0	0	0	114.8
42	G	29.3	Very low	31.2	Very low	78 Å²	78	133.6 Å²	133.6	80%	0.804	82%	0.82	S	S	*	*			trans	170.4	91.1	166.3	0	0	0	0	0	113.7
43	E	29.4	Very low	31.9	Very low	191 Å²	191	133.1 Å²	133.1	89%	0.893	82%	0.823	S	S	*	*			trans	-68	158.1	177.5	-72.9	170.9	94.8	0	0	115.3
44	G	27.1	Very low	32.2	Very low	82 Å²	82	130.7 Å²	130.7	85%	0.845	82%	0.824	S	S	*	*				115.4	129.5	125	0	0	0	0	0	118.3
45	G	29.4	Very low	33.1	Very low	83 Å²	83	130.5 Å²	130.5	86%	0.856	82%	0.823	S	S	*	*			trans	130.4	109.6	141	0	0	0	0	0	117.8
46	E	30.9	Very low	33.4	Very low	177 Å²	177	134.2 Å²	134.2	83%	0.827	83%	0.829	S	S	*	*			trans	-66.5	152.2	-178.1	-70.8	157.1	146.1	0	0	117.5
47	E	32.4	Very low	33.4	Very low	166 Å²	166	132.3 Å²	132.3	78%	0.776	82%	0.819	S	S	*	*			trans	42.4	123.6	136.3	-55.2	-175	172.1	0	0	121.8
48	N	29.4	Very low	33.9	Very low	156 Å²	156	133.2 Å²	133.2	83%	0.834	83%	0.826	S	S	*	*				-172.9	143.8	114.7	-101.2	-48.4	0	0	0	115.3
49	N	34.3	Very low	34.5	Very low	158 Å²	158	132 Å²	132	85%	0.845	82%	0.821	S	S	*	*			trans	-60.3	138.8	173.3	-74.2	-61.9	0	0	0	113.4
50	S	34.8	Very low	35.4	Very low	116 Å²	116	132.1 Å²	132.1	81%	0.811	82%	0.82	S	S	*	*			trans	-157.7	117.2	143.5	-172	0	0	0	0	110.8	G52	S50-G52 PolarHBondContact O-N 2.93Å
51	A	40.3	Very low	35.9	Very low	105 Å²	105	136.7 Å²	136.7	87%	0.868	82%	0.824	S	S	*	*			trans	-60.5	127.3	166.2	0	0	0	0	0	109.7
52	G	32	Very low	36.7	Very low	66 Å²	66	137.5 Å²	137.5	68%	0.68	82%	0.823	S	S	*	*			trans	-150.8	95.8	172.8	0	0	0	0	0	108.6	S50 C54	S50-G52 PolarHBondContact O-N 2.93Å; G52-C54 PolarHBondContact O-N 2.64Å
53	T	41.3	Very low	37.4	Very low	138 Å²	138	137.5 Å²	137.5	85%	0.847	82%	0.815	S	S	*	*			trans	-63.1	124.7	168	-164.2	0	0	0	0	108.4
54	C	35.7	Very low	38.4	Very low	121 Å²	121	133.1 Å²	133.1	82%	0.818	81%	0.812	S	S	*	*			trans	-144	104.6	167.8	-80.7	0	0	0	0	107.3	G52 L56	G52-C54 PolarHBondContact O-N 2.64Å; C54-L56 PolarHBondContact O-N 2.74Å
55	Q	47.8	Very low	39.2	Very low	182 Å²	182	137.4 Å²	137.4	85%	0.85	81%	0.81	S	S	*	*			trans	-55	118.2	161.9	-68.1	166	-32.2	0	0	108.5
56	L	37.8	Very low	40.5	Very low	168 Å²	168	139.6 Å²	139.6	88%	0.88	80%	0.799	S	S	*	*			trans	172.8	110	140.6	-119.2	82.6	0	0	0	109.1	C54	C54-L56 PolarHBondContact O-N 2.74Å
57	S	39.1	Very low	42.2	Very low	92 Å²	92	134.5 Å²	134.5	64%	0.643	78%	0.782	S	S	*	*			trans	165.5	101.7	130.1	54.7	0	0	0	0	106.2	E59	S57-E59 PolarHBondContact O-N 2.78Å
58	A	43.1	Very low	44.3	Very low	113 Å²	113	133.1 Å²	133.1	93%	0.934	78%	0.784	S	S	*	*			trans	-67.1	62.1	163.6	0	0	0	0	0	109.6
59	E	44.7	Very low	47	Very low	157 Å²	157	127.9 Å²	127.9	73%	0.734	76%	0.756	S	S	*	*			trans	-125.6	61.1	168.8	-78.7	-179.9	116.8	0	0	106.4	S57 K61	S57-E59 PolarHBondContact O-N 2.78Å; E59-K61 PolarHBondContact O-N 2.9Å
60	I	46.6	Very low	49.7	Very low	166 Å²	166	122.4 Å²	122.4	85%	0.851	73%	0.729	S	S	*	*			trans	-62.7	97.8	143.1	-64.2	175.9	0	0	0	102.9	E62	I60-E62 PolarHBondContact O-N 3.21Å
61	K	41.9	Very low	52.5	Low	185 Å²	185	122.1 Å²	122.1	80%	0.804	72%	0.724	S	S	*	*			trans	-34.7	109.8	161	-74.5	173.9	174.9	177.3	0	106	E59 A63	E59-K61 PolarHBondContact O-N 2.9Å; K61-A63 PolarHBondContact O-N 3.16Å
62	E	43.9	Very low	55.2	Low	188 Å²	188	118.5 Å²	118.5	88%	0.879	69%	0.692	S	S	*	*			trans	-59.1	86.2	166.6	-162.7	172.6	-157.7	0	0	104.1	I60 A64	I60-E62 PolarHBondContact O-N 3.21Å; E62-A64 PolarHBondContact O-N 3.25Å
63	A	43.2	Very low	58.3	Low	77 Å²	77	119.5 Å²	119.5	64%	0.636	69%	0.685	S	S	*	*			trans	-53.5	114.5	172.2	0	0	0	0	0	103.6	K61 Q65	K61-A63 PolarHBondContact O-N 3.16Å; A63-Q65 PolarHBondContact O-N 2.78Å
64	A	51.2	Low	61	Low	100 Å²	100	117.1 Å²	117.1	83%	0.826	67%	0.671	S	S	*	*			trans	-41.1	90.2	-173.6	0	0	0	0	0	110.5	E62 M66	E62-A64 PolarHBondContact O-N 3.25Å; A64-M66 PolarHBondContact O-N 3.27Å; A64-M66 VanDerWaalsContact O-N 3.16Å
65	Q	44.6	Very low	64	Low	172 Å²	172	116 Å²	116	80%	0.804	65%	0.649	S	S	*	*			trans	-74	112.6	173.9	-82.4	-177.3	23.7	0	0	103	A63	A63-Q65 PolarHBondContact O-N 2.78Å
66	M	56.5	Low	66.4	Low	128 Å²	128	111.7 Å²	111.7	63%	0.631	64%	0.636	S	S	*	*	P	Polyproline II helix	trans	-48.4	129.2	171.3	-69.1	-168.2	-69.3	0	0	107.5	A64 T68	A64-M66 PolarHBondContact O-N 3.27Å; A64-M66 VanDerWaalsContact O-N 3.16Å; M66-T68 PolarHBondContact O-N 3.48Å
67	P	67	Low	69.3	Low	71 Å²	71	106 Å²	106	46%	0.461	61%	0.609	S	S	.	*	P	Polyproline II helix	trans	-52	130.5	-177.1	-25.4	32.4	0	0	0	110.1	L69 W135	P67-L69 PolarHBondContact O-N 2.85Å; P67-L69 VanDerWaalsContact O-N 3.08Å; P67-W135 HydrophobicContact CB-CH2 3.88Å; P67-W135 HydrophobicContact CB-CZ2 4.25Å; P67-W135 HydrophobicContact CG-CH2 3.8Å; P67-W135 HydrophobicContact CG-CZ2 4.23Å; P67-W135 HydrophobicContact CG-CZ3 4.24Å
68	T	74.8	Confident	72.1	Confident	136 Å²	136	106.2 Å²	106.2	83%	0.834	62%	0.617	S	S	*	*	P	Polyproline II helix	trans	-56.4	118.2	176.2	-54.8	0	0	0	0	109.2	M66	M66-T68 PolarHBondContact O-N 3.48Å
69	L	86.8	Confident	74.7	Confident	46 Å²	46	102.4 Å²	102.4	24%	0.241	59%	0.585	C	S	.	*	P	Polyproline II helix	trans	-70.9	129.7	178.9	-67.9	178.2	0	0	0	110.2	P67 W135 A182 E183 I184 P204	P67-L69 PolarHBondContact O-N 2.85Å; P67-L69 VanDerWaalsContact O-N 3.08Å; L69-W135 HydrophobicContact CD2-CH2 4.36Å; L69-W135 HydrophobicContact CD2-CZ2 3.63Å; L69-A182 HydrophobicContact CD1-CB 3.55Å; L69-A182 HydrophobicContact CG-CB 4.4Å; L69-E183 WeakPolarHBondContact CD1-O 3.01Å; L69-I184 HydrophobicContact CD1-CG1 3.93Å; L69-P204 HydrophobicContact CD2-CB 3.57Å; L69-P204 HydrophobicContact CD2-CG 3.72Å
70	P	90.4	Very high	77.3	Confident	43 Å²	43	95.6 Å²	95.6	28%	0.279	56%	0.555	S	S	.	*	P	Polyproline II helix	trans	-64	149.7	170.4	27.5	-29.9	0	0	0	109.5	H201 D202	P70-H201 PolarHBondContact O-CD2 2.64Å; P70-H201 PolarHBondContact O-NE2 2.89Å; P70-D202 HydrophobicContact CG-CB 4.32Å
71	P	93.8	Very high	79.7	Confident	110 Å²	110	96.6 Å²	96.6	71%	0.714	55%	0.553	S	S	*	*	P	Polyproline II helix	trans	-69.8	144	175.1	28.3	-33.8	0	0	0	110.7
72	P	96.8	Very high	82.4	Confident	30 Å²	30	94.7 Å²	94.7	20%	0.195	55%	0.547	C	S	.	.	P	Polyproline II helix	trans	-69.4	148.4	171.1	30.1	-34.1	0	0	0	110.6	W118 I184 L185 H201	P72-W118 HydrophobicContact CB-CH2 4.01Å; P72-I184 HydrophobicContact CB-CG2 3.93Å; P72-I184 HydrophobicContact CG-CG2 3.83Å; P72-L185 HydrophobicContact CG-CB 4.47Å; P72-L185 HydrophobicContact CG-CD1 4.27Å; P72-H201 HydrophobicContact CB-CB 4.42Å
73	T	98	Very high	85	Confident	86 Å²	86	86.3 Å²	86.3	53%	0.528	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	127.6	166.4	-59	0	0	0	0	108.7	G199 S200	T73-G199 CarbonylContact O-C 3.5Å; T73-G199 WeakPolarHBondContact O-CA 3.43Å; T73-S200 PolarHBondContact N-O 2.93Å; T73-S200 PolarHBondContact O-N 2.71Å
74	T	98	Very high	87.6	Confident	88 Å²	88	83.5 Å²	83.5	54%	0.54	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	148.3	178.2	57	0	0	0	0	111.2	W118 G198	T74-W118 HydrophobicContact CG2-CZ2 4.31Å; T74-G198 CarbonylContact C-O 3.56Å; T74-G198 WeakPolarHBondContact CA-O 3.34Å
75	W	98.4	Very high	89.8	Confident	99 Å²	99	81.4 Å²	81.4	38%	0.375	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	164	177.2	55.6	-98.5	0	0	0	111	E119 V196 G198	W75-E119 HydrophobicContact CH2-CG 3.54Å; W75-E119 WeakPolarHBondContact CH2-OE1 3.42Å; W75-E119 HydrophobicContact CZ2-CG 3.55Å; W75-V196 HydrophobicContact CH2-CG1 4Å; W75-V196 HydrophobicContact CZ3-CB 4.48Å; W75-V196 HydrophobicContact CZ3-CG1 3.83Å; W75-G198 PolarHBondContact N-O 2.6Å; W75-G198 PolarHBondContact O-N 3.25Å; W75-G198 VanDerWaalsContact O-O 3.13Å
76	T	98.5	Very high	92.3	Very high	91 Å²	91	78 Å²	78	56%	0.558	45%	0.447	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.3	156	173	62.8	0	0	0	0	111.8	V196	T76-V196 CarbonylContact C-O 3.52Å; T76-V196 WeakPolarHBondContact CA-O 3.39Å
77	S	98.4	Very high	94.1	Very high	47 Å²	47	72 Å²	72	33%	0.329	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	145.1	176.8	173.5	0	0	0	0	112	A79 S195 V196	S77-A79 PolarHBondContact O-N 3.3Å; S77-A79 PolarHBondContact OG-N 2.88Å; S77-S195 CarbonylContact O-C 3.56Å; S77-S195 WeakPolarHBondContact O-CA 3.23Å; S77-S195 WeakPolarHBondContact O-CB 3.42Å; S77-V196 PolarHBondContact N-O 2.9Å; S77-V196 PolarHBondContact O-N 2.93Å
78	A	98.1	Very high	95.5	Very high	98 Å²	98	75.3 Å²	75.3	81%	0.81	42%	0.42	S	S	*	.	S	Bend	trans	-74.9	-5	176.4	0	0	0	0	0	113.7	V80	A78-V80 PolarHBondContact O-N 2.83Å
79	A	97.8	Very high	96.4	Very high	32 Å²	32	74.6 Å²	74.6	26%	0.264	42%	0.416	S	S	.	.			trans	-76.4	38.3	-174	0	0	0	0	0	114.6	S77 K81 E82 L83	S77-A79 PolarHBondContact O-N 3.3Å; S77-A79 PolarHBondContact OG-N 2.88Å; A79-K81 VanDerWaalsContact C-N 3.35Å; A79-K81 PolarHBondContact O-N 3.08Å; A79-E82 HydrophobicContact CB-CB 4.45Å; A79-E82 PolarHBondContact O-N 3.23Å; A79-L83 PolarHBondContact O-N 2.87Å
80	V	98.2	Very high	96.4	Very high	15 Å²	15	75.5 Å²	75.5	9%	0.091	42%	0.419	C	S	.	.	H	α-helix	trans	-59.5	-43.5	-175.5	178.2	0	0	0	0	112	A78 E82 K84 A121 L194 S195 V196	A78-V80 PolarHBondContact O-N 2.83Å; V80-E82 PolarHBondContact O-N 2.82Å; V80-K84 HydrophobicContact CG1-CD 3.92Å; V80-K84 VanDerWaalsContact CG1-CE 3.46Å; V80-K84 HydrophobicContact CG1-CG 4.36Å; V80-K84 WeakPolarHBondContact O-CB 3.45Å; V80-K84 VanDerWaalsContact O-CG 3.29Å; V80-K84 WeakPolarHBondContact O-CG 3.39Å; V80-K84 PolarHBondContact O-N 3.38Å; V80-A121 HydrophobicContact CG1-CB 4.22Å; V80-L194 WeakPolarHBondContact CG2-O 3.48Å; V80-S195 VanDerWaalsContact CG2-C 3.5Å; V80-S195 VanDerWaalsContact CG2-CA 3.46Å; V80-V196 HydrophobicContact CG2-CG2 4.11Å
81	K	98.3	Very high	96.1	Very high	186 Å²	186	81.7 Å²	81.7	81%	0.809	44%	0.441	S	S	*	.	H	α-helix	trans	-63.6	-42.6	-178.7	-68.2	-177.9	-178.9	176.1	0	111.7	A79 A85	A79-K81 VanDerWaalsContact C-N 3.35Å; A79-K81 PolarHBondContact O-N 3.08Å; K81-A85 VanDerWaalsContact O-CB 3.32Å; K81-A85 WeakPolarHBondContact O-CB 3.17Å; K81-A85 PolarHBondContact O-N 3.13Å
82	E	98.3	Very high	95.8	Very high	145 Å²	145	78.6 Å²	78.6	68%	0.678	42%	0.419	S	S	*	.	H	α-helix	trans	-67.8	-46.1	-179.8	-64.4	176.8	-173.9	0	0	111.1	A79 V80 K84 A85 K86	A79-E82 HydrophobicContact CB-CB 4.45Å; A79-E82 PolarHBondContact O-N 3.23Å; V80-E82 PolarHBondContact O-N 2.82Å; E82-K84 PolarHBondContact O-N 3.09Å; E82-A85 PolarHBondContact O-N 2.9Å; E82-K86 PolarHBondContact O-N 3.24Å
83	L	97.8	Very high	95.5	Very high	12 Å²	12	77.7 Å²	77.7	6%	0.063	41%	0.413	C	S	.	.	H	α-helix	trans	-59	-50.9	176.3	-177.4	72.8	0	0	0	111	A79 A85 K86 L87 E119 A121 V196	A79-L83 PolarHBondContact O-N 2.87Å; L83-A85 VanDerWaalsContact C-N 3.32Å; L83-A85 PolarHBondContact O-N 3.39Å; L83-K86 PolarHBondContact O-N 3.28Å; L83-L87 HydrophobicContact CD1-CD1 3.86Å; L83-L87 HydrophobicContact CD1-CG 4.07Å; L83-L87 HydrophobicContact CD2-CD1 4.17Å; L83-L87 HydrophobicContact CG-CD1 3.75Å; L83-L87 HydrophobicContact CG-CG 4.19Å; L83-L87 WeakPolarHBondContact O-CG 3.29Å; L83-L87 PolarHBondContact O-N 2.83Å; L83-E119 HydrophobicContact CD1-CB 4.46Å; L83-A121 HydrophobicContact CD2-CB 4.08Å; L83-V196 HydrophobicContact CB-CG2 3.89Å; L83-V196 HydrophobicContact CD2-CB 4.22Å; L83-V196 HydrophobicContact CD2-CG1 3.63Å; L83-V196 HydrophobicContact CD2-CG2 3.68Å; L83-V196 HydrophobicContact CG-CG2 4.4Å
84	K	98.2	Very high	95.4	Very high	19 Å²	19	76.1 Å²	76.1	8%	0.083	40%	0.403	C	S	.	.	H	α-helix	trans	-61.6	-39.4	179.8	-70	-179.6	179.4	177.5	0	112.2	V80 E82 K86 R88 A121 T122 D123 Y226	V80-K84 HydrophobicContact CG1-CD 3.92Å; V80-K84 VanDerWaalsContact CG1-CE 3.46Å; V80-K84 HydrophobicContact CG1-CG 4.36Å; V80-K84 WeakPolarHBondContact O-CB 3.45Å; V80-K84 VanDerWaalsContact O-CG 3.29Å; V80-K84 WeakPolarHBondContact O-CG 3.39Å; V80-K84 PolarHBondContact O-N 3.38Å; E82-K84 PolarHBondContact O-N 3.09Å; K84-K86 VanDerWaalsContact C-N 3.34Å; K84-R88 VanDerWaalsContact O-CG 3.28Å; K84-R88 WeakPolarHBondContact O-CG 3.03Å; K84-R88 PolarHBondContact O-N 3.21Å; K84-A121 HydrophobicContact CG-CB 4.35Å; K84-T122 VanDerWaalsContact CE-O 3.3Å; K84-T122 WeakPolarHBondContact CE-O 3.34Å; K84-T122 PolarHBondContact NZ-O 2.79Å; K84-D123 WeakPolarHBondContact CE-OD1 3.35Å; K84-D123 IonicContact NZ-OD1 3.35Å; K84-D123 PolarHBondContact NZ-OD1 2.95Å; K84-Y226 HydrophobicContact CB-CD1 4.02Å; K84-Y226 HydrophobicContact CB-CE1 4.1Å; K84-Y226 HydrophobicContact CB-CG 4.31Å; K84-Y226 HydrophobicContact CD-CD2 4.03Å; K84-Y226 HydrophobicContact CD-CE2 3.9Å; K84-Y226 HydrophobicContact CG-CD1 3.99Å; K84-Y226 HydrophobicContact CG-CD2 3.77Å; K84-Y226 HydrophobicContact CG-CE1 4.25Å; K84-Y226 HydrophobicContact CG-CE2 4.04Å; K84-Y226 HydrophobicContact CG-CG 3.76Å
85	A	98.2	Very high	95.2	Very high	55 Å²	55	72 Å²	72	46%	0.455	38%	0.378	S	S	.	.	H	α-helix	trans	-62.1	-43	176.2	0	0	0	0	0	111.6	K81 E82 L83	K81-A85 VanDerWaalsContact O-CB 3.32Å; K81-A85 WeakPolarHBondContact O-CB 3.17Å; K81-A85 PolarHBondContact O-N 3.13Å; E82-A85 PolarHBondContact O-N 2.9Å; L83-A85 VanDerWaalsContact C-N 3.32Å; L83-A85 PolarHBondContact O-N 3.39Å
86	K	96.1	Very high	95.2	Very high	102 Å²	102	69.8 Å²	69.8	44%	0.443	38%	0.376	S	S	.	.	H	α-helix	trans	-65.7	-49.8	176.5	-173.2	-178.6	178.9	-165.6	0	112	E82 L83 K84 R88 T89 E90	E82-K86 PolarHBondContact O-N 3.24Å; L83-K86 PolarHBondContact O-N 3.28Å; K84-K86 VanDerWaalsContact C-N 3.34Å; K86-R88 PolarHBondContact O-N 2.82Å; K86-T89 PolarHBondContact O-N 3Å; K86-T89 PolarHBondContact O-OG1 2.99Å; K86-E90 WeakPolarHBondContact CE-OE1 3.19Å; K86-E90 IonicContact NZ-OE1 2.7Å; K86-E90 PolarHBondContact O-N 2.79Å
87	L	94.7	Very high	95.1	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-68.7	-19.2	-175.7	-65	-177.7	0	0	0	113.6	L83 T89 E90 S93 V94 Y226 R228	L83-L87 HydrophobicContact CD1-CD1 3.86Å; L83-L87 HydrophobicContact CD1-CG 4.07Å; L83-L87 HydrophobicContact CD2-CD1 4.17Å; L83-L87 HydrophobicContact CG-CD1 3.75Å; L83-L87 HydrophobicContact CG-CG 4.19Å; L83-L87 WeakPolarHBondContact O-CG 3.29Å; L83-L87 PolarHBondContact O-N 2.83Å; L87-T89 VanDerWaalsContact C-N 3.27Å; L87-T89 PolarHBondContact O-N 2.89Å; L87-E90 WeakPolarHBondContact CD2-OE2 3.22Å; L87-E90 PolarHBondContact O-N 3.07Å; L87-S93 WeakPolarHBondContact O-CB 3.1Å; L87-V94 WeakPolarHBondContact O-CG2 3.34Å; L87-Y226 HydrophobicContact CB-CD1 4.42Å; L87-R228 HydrophobicContact CD2-CB 3.93Å; L87-R228 HydrophobicContact CD2-CG 4.15Å
88	R	95.7	Very high	95	Very high	141 Å²	141	69.4 Å²	69.4	53%	0.532	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-25.3	170.7	-77.2	-179.5	-168.8	110.1	-0.5	113.7	K84 K86 V94 Y226	K84-R88 VanDerWaalsContact O-CG 3.28Å; K84-R88 WeakPolarHBondContact O-CG 3.03Å; K84-R88 PolarHBondContact O-N 3.21Å; K86-R88 PolarHBondContact O-N 2.82Å; R88-V94 HydrophobicContact CG-CG2 4.37Å; R88-Y226 HydrophobicContact CG-CD1 4.36Å; R88-Y226 HydrophobicContact CG-CE1 3.77Å; R88-Y226 PolarHBondContact NH2-OH 3.03Å
89	T	93.6	Very high	94.9	Very high	122 Å²	122	71 Å²	71	75%	0.748	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-15.3	177.9	68.2	0	0	0	0	112.2	K86 L87	K86-T89 PolarHBondContact O-N 3Å; K86-T89 PolarHBondContact O-OG1 2.99Å; L87-T89 VanDerWaalsContact C-N 3.27Å; L87-T89 PolarHBondContact O-N 2.89Å
90	E	87.3	Confident	94.8	Very high	65 Å²	65	70.2 Å²	70.2	30%	0.304	34%	0.338	S	S	.	.	S	Bend	trans	-83	135.8	175.2	-67.2	-179.9	-160.9	0	0	110.3	K86 L87 S93	K86-E90 WeakPolarHBondContact CE-OE1 3.19Å; K86-E90 IonicContact NZ-OE1 2.7Å; K86-E90 PolarHBondContact O-N 2.79Å; L87-E90 WeakPolarHBondContact CD2-OE2 3.22Å; L87-E90 PolarHBondContact O-N 3.07Å; E90-S93 WeakPolarHBondContact CB-OG 3.3Å
91	K	84.4	Confident	94.6	Very high	172 Å²	172	70.2 Å²	70.2	75%	0.748	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	136.5	-179.6	-170.8	-173.4	168	177.7	0	109.5	S93	K91-S93 PolarHBondContact O-N 3.48Å
92	D	86	Confident	94.6	Very high	45 Å²	45	62.2 Å²	62.2	24%	0.241	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.9	21.1	175.7	-44.6	-43.9	0	0	0	115.2	V10 Y227	V10-D92 HydrophobicContact CB-CB 3.58Å; V10-D92 HydrophobicContact CG1-CB 4.36Å; V10-D92 HydrophobicContact CG2-CB 3.22Å; D92-Y227 PolarHBondContact O-OH 2.78Å
93	S	91.8	Very high	94.5	Very high	11 Å²	11	55.3 Å²	55.3	8%	0.077	27%	0.271	C	S	.	.			trans	-96.9	-1.4	178.4	-63.1	0	0	0	0	114.3	L87 E90 K91 Y226 Y227	L87-S93 WeakPolarHBondContact O-CB 3.1Å; E90-S93 WeakPolarHBondContact CB-OG 3.3Å; K91-S93 PolarHBondContact O-N 3.48Å; S93-Y226 CarbonylContact O-C 3.49Å; S93-Y226 WeakPolarHBondContact O-CA 3.38Å; S93-Y227 WeakPolarHBondContact CA-O 3.32Å; S93-Y227 VanDerWaalsContact CB-O 3.31Å; S93-Y227 WeakPolarHBondContact CB-O 3.44Å; S93-Y227 PolarHBondContact O-N 3.18Å
94	V	95.4	Very high	94.4	Very high	53 Å²	53	55.4 Å²	55.4	32%	0.321	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	120.8	177.7	-171	0	0	0	0	109.3	L87 R88 T224 L225 Y226	L87-V94 WeakPolarHBondContact O-CG2 3.34Å; R88-V94 HydrophobicContact CG-CG2 4.37Å; V94-T224 HydrophobicContact CG1-CG2 3.86Å; V94-L225 WeakPolarHBondContact CA-O 3.28Å; V94-Y226 HydrophobicContact CB-CD1 4.47Å; V94-Y226 HydrophobicContact CG1-CD1 4.13Å; V94-Y226 HydrophobicContact CG1-CE1 3.97Å; V94-Y226 HydrophobicContact CG2-CD1 3.59Å; V94-Y226 HydrophobicContact CG2-CE1 3.92Å; V94-Y226 HydrophobicContact CG2-CG 4.45Å
95	V	94.7	Very high	94.4	Very high	3 Å²	3	54.5 Å²	54.5	2%	0.018	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	146.6	-176.5	172.5	0	0	0	0	109.5	W12 M103 L225 Y227	W12-V95 HydrophobicContact CH2-CB 4.13Å; W12-V95 HydrophobicContact CH2-CG1 3.63Å; W12-V95 HydrophobicContact CH2-CG2 3.69Å; W12-V95 HydrophobicContact CZ2-CG2 4.08Å; W12-V95 HydrophobicContact CZ3-CG1 3.89Å; V95-M103 HydrophobicContact CB-CE 4.28Å; V95-M103 HydrophobicContact CB-SD 3.95Å; V95-M103 HydrophobicContact CG1-CE 4.32Å; V95-M103 HydrophobicContact CG1-SD 3.49Å; V95-M103 WeakPolarHBondContact CG1-SD 3.33Å; V95-M103 HydrophobicContact CG2-CE 4.18Å; V95-M103 HydrophobicContact CG2-SD 4.42Å; V95-L225 PolarHBondContact N-O 3.01Å; V95-L225 PolarHBondContact O-N 3.35Å; V95-Y227 HydrophobicContact CG2-CE1 3.94Å
96	T	96.9	Very high	94.2	Very high	52 Å²	52	54.3 Å²	54.3	32%	0.319	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	120.8	168.3	-58.9	0	0	0	0	108.7	Y98 N222 K223	T96-Y98 HydrophobicContact CG2-CD1 4.44Å; T96-Y98 HydrophobicContact CG2-CE1 4.29Å; T96-Y98 HydrophobicContact CG2-CE2 4.38Å; T96-N222 HydrophobicContact CG2-CB 3.99Å; T96-K223 CarbonylContact C-O 3.59Å; T96-K223 WeakPolarHBondContact CA-O 3.25Å
97	V	97	Very high	94.2	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	112.7	167.4	-169.2	0	0	0	0	106.6	D101 M103 I127 N215 N222 K223 L225	V97-D101 HydrophobicContact CG1-CB 3.94Å; V97-M103 HydrophobicContact CG1-CB 4.26Å; V97-M103 HydrophobicContact CG2-CB 3.9Å; V97-M103 HydrophobicContact CG2-SD 4.05Å; V97-I127 HydrophobicContact CB-CD1 4.29Å; V97-I127 HydrophobicContact CG2-CD1 4.09Å; V97-N215 HydrophobicContact CB-CB 4.37Å; V97-N215 HydrophobicContact CG1-CB 3.65Å; V97-N215 PolarHBondContact O-ND2 3.04Å; V97-N222 WeakPolarHBondContact O-CA 3.49Å; V97-K223 PolarHBondContact N-O 2.81Å; V97-K223 PolarHBondContact O-N 3.01Å; V97-L225 HydrophobicContact CG2-CB 4.23Å; V97-L225 HydrophobicContact CG2-CD2 4.18Å
98	Y	97.1	Very high	94.2	Very high	130 Å²	130	49.8 Å²	49.8	51%	0.51	24%	0.239	S	C	.	.			trans	-71	162.1	-178.4	-68	-88.7	0	0	0	110.9	T96 D101 N215 N222	T96-Y98 HydrophobicContact CG2-CD1 4.44Å; T96-Y98 HydrophobicContact CG2-CE1 4.29Å; T96-Y98 HydrophobicContact CG2-CE2 4.38Å; Y98-D101 WeakPolarHBondContact CB-OD2 3.47Å; Y98-D101 PolarHBondContact N-OD2 2.84Å; Y98-D101 WeakPolarHBondContact O-CB 3.42Å; Y98-D101 PolarHBondContact O-N 3.39Å; Y98-D101 VanDerWaalsContact O-N 3.17Å; Y98-N215 PolarHBondContact O-ND2 3.21Å; Y98-N222 VanDerWaalsContact CD1-ND2 3.27Å; Y98-N222 WeakPolarHBondContact CD1-ND2 3.4Å
99	R	95.8	Very high	94.2	Very high	130 Å²	130	43.7 Å²	43.7	49%	0.491	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	139.6	168.5	56	165.5	-174.5	-176.6	3	110.6	D101 N215 S218 L219 N222	R99-D101 PolarHBondContact O-N 2.78Å; R99-N215 WeakPolarHBondContact CA-ND2 3.33Å; R99-N215 PolarHBondContact N-ND2 2.88Å; R99-S218 WeakPolarHBondContact CB-O 3.29Å; R99-L219 WeakPolarHBondContact CD-O 3.48Å; R99-L219 PolarHBondContact NH1-O 3.18Å; R99-N222 PolarHBondContact N-OD1 2.99Å
100	G	94.4	Very high	94.1	Very high	17 Å²	17	38.1 Å²	38.1	18%	0.175	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.8	-15.9	-176.9	0	0	0	0	0	114.5	S150 N215 S218	G100-S150 PolarHBondContact O-N 3.18Å; G100-S150 PolarHBondContact O-OG 3.12Å; G100-N215 PolarHBondContact N-O 3.32Å; G100-N215 VanDerWaalsContact N-O 3.12Å; G100-S218 PolarHBondContact N-O 2.94Å
101	D	96	Very high	94.3	Very high	14 Å²	14	40 Å²	40	8%	0.075	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	152.5	-177.5	-73.9	-7.9	0	0	0	113.3	V97 Y98 R99 I147 S148 E149 N215 S216	V97-D101 HydrophobicContact CG1-CB 3.94Å; Y98-D101 WeakPolarHBondContact CB-OD2 3.47Å; Y98-D101 PolarHBondContact N-OD2 2.84Å; Y98-D101 WeakPolarHBondContact O-CB 3.42Å; Y98-D101 PolarHBondContact O-N 3.39Å; Y98-D101 VanDerWaalsContact O-N 3.17Å; R99-D101 PolarHBondContact O-N 2.78Å; D101-I147 HydrophobicContact CB-CG2 3.93Å; D101-I147 WeakPolarHBondContact OD2-CG2 3.32Å; D101-S148 CarbonylContact C-O 3.49Å; D101-S148 WeakPolarHBondContact CA-O 3.46Å; D101-E149 WeakPolarHBondContact OD1-CG 3.38Å; D101-N215 CarbonylContact O-C 3.53Å; D101-N215 VanDerWaalsContact O-C 3.31Å; D101-N215 VanDerWaalsContact O-CA 3.3Å; D101-N215 WeakPolarHBondContact O-CA 3.48Å; D101-N215 WeakPolarHBondContact O-CB 3.5Å; D101-N215 PolarHBondContact O-N 3.02Å; D101-S216 PolarHBondContact O-N 2.74Å
102	I	96.6	Very high	94.6	Very high	19 Å²	19	38 Å²	38	10%	0.097	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	117.6	163.7	-54.4	178.6	0	0	0	108	S148 K212	I102-S148 PolarHBondContact N-O 2.87Å; I102-S148 PolarHBondContact O-N 3.13Å; I102-S148 PolarHBondContact O-OG 2.81Å; I102-K212 HydrophobicContact CG2-CB 4.38Å
103	M	96.6	Very high	94.8	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	124.9	171.7	170.6	178.5	162.3	0	0	109.5	V95 V97 V105 V145 H146 I147 F213 L225 Y227	V95-M103 HydrophobicContact CB-CE 4.28Å; V95-M103 HydrophobicContact CB-SD 3.95Å; V95-M103 HydrophobicContact CG1-CE 4.32Å; V95-M103 HydrophobicContact CG1-SD 3.49Å; V95-M103 WeakPolarHBondContact CG1-SD 3.33Å; V95-M103 HydrophobicContact CG2-CE 4.18Å; V95-M103 HydrophobicContact CG2-SD 4.42Å; V97-M103 HydrophobicContact CG1-CB 4.26Å; V97-M103 HydrophobicContact CG2-CB 3.9Å; V97-M103 HydrophobicContact CG2-SD 4.05Å; M103-V105 HydrophobicContact CE-CG2 3.83Å; M103-V145 HydrophobicContact CE-CG1 3.65Å; M103-V145 HydrophobicContact CE-CG2 4.28Å; M103-V145 HydrophobicContact CG-CG1 3.88Å; M103-V145 HydrophobicContact SD-CG1 4.19Å; M103-H146 CarbonylContact C-O 3.59Å; M103-H146 WeakPolarHBondContact CA-O 3.38Å; M103-I147 HydrophobicContact CB-CG1 4.32Å; M103-I147 HydrophobicContact CG-CG1 4.42Å; M103-F213 HydrophobicContact CB-CB 4.24Å; M103-F213 HydrophobicContact CG-CD2 4.49Å; M103-F213 PolarHBondContact N-O 2.83Å; M103-F213 PolarHBondContact O-N 2.65Å; M103-L225 HydrophobicContact CE-CD2 4.3Å; M103-L225 HydrophobicContact SD-CD2 4Å; M103-Y227 HydrophobicContact CE-CD1 4.15Å; M103-Y227 HydrophobicContact CE-CE1 3.53Å; M103-Y227 HydrophobicContact CE-CE2 4.15Å
104	T	96.9	Very high	94.9	Very high	13 Å²	13	42.7 Å²	42.7	8%	0.08	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	122.8	178.3	-54.7	0	0	0	0	110.7	V145 H146 L210 L211 K212	T104-V145 WeakPolarHBondContact O-CA 3.46Å; T104-H146 PolarHBondContact N-O 2.88Å; T104-H146 PolarHBondContact O-N 2.85Å; T104-L210 HydrophobicContact CG2-CB 3.86Å; T104-L210 HydrophobicContact CG2-CD2 4.25Å; T104-L211 CarbonylContact C-O 3.57Å; T104-L211 WeakPolarHBondContact CA-O 3.36Å; T104-K212 HydrophobicContact CG2-CG 4.2Å
105	V	96.2	Very high	94.8	Very high	1 Å²	1	43 Å²	43	1%	0.006	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	117.7	173	-170	0	0	0	0	108.7	M103 V107 I143 T144 V145 L211 F213 Y227 V229	M103-V105 HydrophobicContact CE-CG2 3.83Å; V105-V107 HydrophobicContact CG1-CG2 3.85Å; V105-I143 HydrophobicContact CG1-CG2 3.77Å; V105-T144 WeakPolarHBondContact CA-O 3.22Å; V105-V145 HydrophobicContact CG1-CG2 4.4Å; V105-V145 HydrophobicContact CG2-CG2 4.35Å; V105-L211 HydrophobicContact CB-CB 4.29Å; V105-L211 PolarHBondContact N-O 3.1Å; V105-L211 PolarHBondContact O-N 3.31Å; V105-F213 HydrophobicContact CG2-CD2 4.3Å; V105-F213 HydrophobicContact CG2-CE2 3.92Å; V105-Y227 HydrophobicContact CG1-CE2 4.42Å; V105-Y227 HydrophobicContact CG2-CD2 4.33Å; V105-Y227 HydrophobicContact CG2-CE2 3.76Å; V105-V229 HydrophobicContact CG1-CG2 4.49Å
106	H	95.3	Very high	94.9	Very high	50 Å²	50	42.8 Å²	42.8	23%	0.231	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	119.1	176.1	-70	-119.9	0	0	0	109.1	I143 T144 H146 T208 Y209 L210	H106-I143 WeakPolarHBondContact O-CA 3.39Å; H106-I143 WeakPolarHBondContact O-CG2 3.48Å; H106-T144 WeakPolarHBondContact CB-OG1 3.32Å; H106-T144 PolarHBondContact N-O 2.76Å; H106-T144 PolarHBondContact O-N 2.81Å; H106-T144 VanDerWaalsContact O-N 3.1Å; H106-H146 AromaticContact CD2-CD2 3.73Å; H106-H146 AromaticContact NE2-CD2 3.92Å; H106-H146 AromaticContact NE2-CG 3.98Å; H106-T208 HydrophobicContact CB-CG2 3.96Å; H106-Y209 CarbonylContact C-O 3.56Å; H106-Y209 WeakPolarHBondContact CA-O 3.33Å; H106-L210 HydrophobicContact CB-CD2 4.45Å; H106-L210 WeakPolarHBondContact CE1-CD2 3.46Å; H106-L210 WeakPolarHBondContact ND1-CD2 2.91Å
107	V	95.7	Very high	94.9	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	94.8	-176.4	-173.6	0	0	0	0	108.8	V105 V116 I143 Y209 L211 V229 Y231	V105-V107 HydrophobicContact CG1-CG2 3.85Å; V107-V116 HydrophobicContact CG1-CG2 4.02Å; V107-I143 HydrophobicContact CG1-CD1 4.1Å; V107-I143 HydrophobicContact CG1-CG1 4.11Å; V107-I143 HydrophobicContact CG2-CG2 4.15Å; V107-Y209 PolarHBondContact N-O 2.97Å; V107-Y209 PolarHBondContact O-N 2.63Å; V107-L211 HydrophobicContact CG2-CD1 4.04Å; V107-V229 HydrophobicContact CG1-CG1 4.3Å; V107-V229 HydrophobicContact CG2-CB 4.48Å; V107-V229 HydrophobicContact CG2-CG1 3.81Å; V107-Y231 HydrophobicContact CG1-CE1 3.72Å
108	P	95.7	Very high	95	Very high	8 Å²	8	41.1 Å²	41.1	5%	0.052	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	143.8	177.7	-20.8	32.4	0	0	0	111.3	V138 S140 T208 Y231	P108-V138 HydrophobicContact CB-CG1 3.62Å; P108-V138 HydrophobicContact CB-CG2 4.15Å; P108-S140 WeakPolarHBondContact CB-O 3.3Å; P108-S140 WeakPolarHBondContact CG-O 3.37Å; P108-T208 HydrophobicContact CG-CG2 4.47Å; P108-Y231 WeakPolarHBondContact O-CE1 3.32Å; P108-Y231 PolarHBondContact O-OH 2.86Å
109	T	94.3	Very high	95	Very high	13 Å²	13	35.9 Å²	35.9	8%	0.08	18%	0.18	C	C	.	.			trans	-69.8	147.3	170	54.4	0	0	0	0	110.5	F133 F203 E206 G207 Y209	T109-F133 HydrophobicContact CG2-CE2 3.8Å; T109-F133 HydrophobicContact CG2-CZ 3.99Å; T109-F203 HydrophobicContact CG2-CB 4.47Å; T109-F203 HydrophobicContact CG2-CD1 4.01Å; T109-F203 HydrophobicContact CG2-CD2 4.17Å; T109-F203 HydrophobicContact CG2-CE1 4.19Å; T109-F203 HydrophobicContact CG2-CE2 4.38Å; T109-F203 HydrophobicContact CG2-CG 3.97Å; T109-F203 HydrophobicContact CG2-CZ 4.37Å; T109-E206 WeakPolarHBondContact OG1-CA 3.43Å; T109-G207 PolarHBondContact N-O 2.83Å; T109-G207 PolarHBondContact OG1-N 3.13Å; T109-G207 PolarHBondContact OG1-O 2.94Å; T109-G207 VanDerWaalsContact OG1-O 3.07Å; T109-Y209 HydrophobicContact CG2-CD2 4.3Å; T109-Y209 HydrophobicContact CG2-CE2 3.87Å
110	V	91.7	Very high	95.2	Very high	4 Å²	4	29.8 Å²	29.8	2%	0.024	16%	0.157	C	C	.	.			trans	-128.4	140.5	177.2	-60.7	0	0	0	0	109.7	E112 A113 R141 F203 Y231	V110-E112 WeakPolarHBondContact CB-OE2 3.4Å; V110-E112 PolarHBondContact O-N 2.87Å; V110-E112 VanDerWaalsContact O-N 3.13Å; V110-A113 HydrophobicContact CG2-CB 3.82Å; V110-A113 PolarHBondContact O-N 2.85Å; V110-R141 HydrophobicContact CG1-CB 4.31Å; V110-R141 HydrophobicContact CG1-CG 4.36Å; V110-F203 WeakPolarHBondContact O-CE2 3.49Å; V110-Y231 HydrophobicContact CG1-CE2 4.37Å; V110-Y231 HydrophobicContact CG2-CD1 4.38Å; V110-Y231 HydrophobicContact CG2-CD2 4.11Å; V110-Y231 HydrophobicContact CG2-CE1 4.29Å; V110-Y231 HydrophobicContact CG2-CE2 4.07Å; V110-Y231 HydrophobicContact CG2-CG 4.28Å
111	P	91.4	Very high	95.4	Very high	104 Å²	104	29 Å²	29	68%	0.675	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-18	-175.4	24.9	-33.2	0	0	0	113.5	A113	P111-A113 VanDerWaalsContact C-N 3.29Å; P111-A113 PolarHBondContact O-N 2.55Å
112	E	91.4	Very high	95.5	Very high	131 Å²	131	28.3 Å²	28.3	61%	0.612	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81	-5.7	-180	-55.2	82.3	-176.5	0	0	113.7	V110 R141	V110-E112 WeakPolarHBondContact CB-OE2 3.4Å; V110-E112 PolarHBondContact O-N 2.87Å; V110-E112 VanDerWaalsContact O-N 3.13Å; E112-R141 IonicContact OE1-NH1 2.99Å; E112-R141 PolarHBondContact OE1-NH1 3.11Å; E112-R141 IonicContact OE2-NH1 3.68Å
113	A	90.7	Very high	95.6	Very high	15 Å²	15	30 Å²	30	12%	0.124	15%	0.154	C	C	.	.			trans	-126.5	164.9	-179.2	0	0	0	0	0	111.8	V110 P111 F203 Y231	V110-A113 HydrophobicContact CG2-CB 3.82Å; V110-A113 PolarHBondContact O-N 2.85Å; P111-A113 VanDerWaalsContact C-N 3.29Å; P111-A113 PolarHBondContact O-N 2.55Å; A113-F203 VanDerWaalsContact C-CE2 3.47Å; A113-F203 HydrophobicContact CB-CE2 3.75Å; A113-F203 HydrophobicContact CB-CZ 3.93Å; A113-F203 WeakPolarHBondContact O-CD2 3.33Å; A113-F203 VanDerWaalsContact O-CE2 3.23Å; A113-F203 WeakPolarHBondContact O-CE2 3.5Å; A113-Y231 HydrophobicContact CB-CD1 4.19Å; A113-Y231 HydrophobicContact CB-CG 4.01Å
114	K	92.7	Very high	95.6	Very high	139 Å²	139	32.4 Å²	32.4	60%	0.604	18%	0.179	S	C	*	.	S	Bend	trans	-118.7	-18.4	176.8	-57.9	-164.8	-165.6	165.2	0	113.8	F203 S232 A233	K114-F203 VanDerWaalsContact O-CG 3.31Å; K114-F203 WeakPolarHBondContact O-CG 3.27Å; K114-F203 PolarHBondContact O-N 2.74Å; K114-S232 PolarHBondContact N-O 3.01Å; K114-A233 WeakPolarHBondContact CB-OXT 3.46Å; K114-A233 WeakPolarHBondContact CD-OXT 3.25Å; K114-A233 WeakPolarHBondContact CG-OXT 3.43Å
115	K	94.2	Very high	95.6	Very high	59 Å²	59	35.5 Å²	35.5	26%	0.257	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	149.3	-171.7	-38.9	-174.4	172.1	-125.7	0	110.9	H201 D202 Y231 S232	K115-H201 VanDerWaalsContact CA-O 3.26Å; K115-H201 WeakPolarHBondContact CA-O 3.4Å; K115-D202 WeakPolarHBondContact CD-OD1 2.94Å; K115-D202 WeakPolarHBondContact CE-OD1 3.12Å; K115-D202 WeakPolarHBondContact CG-OD1 3.32Å; K115-D202 VanDerWaalsContact NZ-CG 3.25Å; K115-D202 IonicContact NZ-OD1 2.69Å; K115-D202 PolarHBondContact NZ-OD1 2.72Å; K115-D202 IonicContact NZ-OD2 2.9Å; K115-D202 PolarHBondContact NZ-OD2 3.2Å; K115-D202 VanDerWaalsContact NZ-OD2 3.07Å; K115-Y231 WeakPolarHBondContact O-CA 3.42Å; K115-S232 PolarHBondContact N-O 2.82Å; K115-S232 PolarHBondContact O-N 3.19Å
116	V	96.1	Very high	95.7	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	139.9	162.5	65.4	0	0	0	0	108.6	V107 W118 S200 H201 F203 Y209 V229	V107-V116 HydrophobicContact CG1-CG2 4.02Å; V116-W118 HydrophobicContact CG1-CZ3 4.4Å; V116-S200 CarbonylContact O-C 3.58Å; V116-S200 WeakPolarHBondContact O-CA 3.48Å; V116-H201 HydrophobicContact CG1-CB 4.25Å; V116-H201 PolarHBondContact N-O 2.87Å; V116-H201 PolarHBondContact O-N 2.82Å; V116-F203 HydrophobicContact CB-CE1 4.14Å; V116-Y209 HydrophobicContact CB-CD2 4.4Å; V116-Y209 HydrophobicContact CB-CE2 4.29Å; V116-Y209 HydrophobicContact CG1-CD1 3.76Å; V116-Y209 HydrophobicContact CG1-CD2 4.01Å; V116-Y209 HydrophobicContact CG1-CE1 3.51Å; V116-Y209 HydrophobicContact CG1-CE2 3.8Å; V116-Y209 HydrophobicContact CG1-CG 4Å; V116-V229 HydrophobicContact CG2-CG1 3.52Å
117	C	97.2	Very high	95.9	Very high	12 Å²	12	34 Å²	34	8%	0.081	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	143.5	175.8	-59.9	0	0	0	0	109.6	G199 V229 Y230	C117-G199 VanDerWaalsContact CA-O 3.32Å; C117-G199 WeakPolarHBondContact CA-O 3.42Å; C117-V229 WeakPolarHBondContact O-CA 3.47Å; C117-V229 WeakPolarHBondContact O-CG1 3.49Å; C117-Y230 HydrophobicContact CB-CD1 4.31Å; C117-Y230 HydrophobicContact CB-CD2 3.84Å; C117-Y230 HydrophobicContact CB-CE1 3.89Å; C117-Y230 HydrophobicContact CB-CE2 3.37Å; C117-Y230 HydrophobicContact CB-CG 4.29Å; C117-Y230 PolarHBondContact N-O 3.36Å; C117-Y230 PolarHBondContact O-N 3.49Å
118	W	98.3	Very high	96	Very high	5 Å²	5	34 Å²	34	2%	0.019	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	149	178.6	63.2	91.5	0	0	0	111	P72 T74 V116 F129 I131 G198 G199 S200 H201 L211 R228 V229	P72-W118 HydrophobicContact CB-CH2 4.01Å; T74-W118 HydrophobicContact CG2-CZ2 4.31Å; V116-W118 HydrophobicContact CG1-CZ3 4.4Å; W118-F129 AromaticContact CD1-CE1 3.87Å; W118-F129 AromaticContact CD1-CZ 3.54Å; W118-F129 HydrophobicContact CD2-CZ 4.32Å; W118-F129 HydrophobicContact CG-CZ 4.01Å; W118-F129 AromaticContact NE1-CE1 3.44Å; W118-F129 AromaticContact NE1-CZ 3.57Å; W118-I131 HydrophobicContact CD2-CD1 3.98Å; W118-I131 HydrophobicContact CE3-CD1 3.91Å; W118-I131 HydrophobicContact CH2-CD1 3.42Å; W118-I131 VanDerWaalsContact CH2-CD1 3.42Å; W118-I131 HydrophobicContact CZ2-CD1 3.48Å; W118-I131 VanDerWaalsContact CZ2-CD1 3.48Å; W118-I131 HydrophobicContact CZ3-CD1 3.64Å; W118-G198 CarbonylContact O-C 3.48Å; W118-G198 WeakPolarHBondContact O-CA 3.49Å; W118-G199 PolarHBondContact N-O 3.13Å; W118-G199 PolarHBondContact O-N 3.24Å; W118-S200 VanDerWaalsContact CZ3-C 3.4Å; W118-S200 VanDerWaalsContact CZ3-CA 3.4Å; W118-H201 HydrophobicContact CH2-CB 4.32Å; W118-H201 HydrophobicContact CZ3-CB 4.04Å; W118-L211 HydrophobicContact CB-CD2 3.73Å; W118-L211 HydrophobicContact CG-CD2 4.15Å; W118-R228 WeakPolarHBondContact CA-O 3.45Å; W118-V229 HydrophobicContact CB-CG2 4.44Å
119	E	98.3	Very high	96.2	Very high	20 Å²	20	33.9 Å²	33.9	9%	0.093	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	138.8	169.4	-75.1	167	88.7	0	0	109.3	W75 L83 Q197 Y227 R228 Y230	W75-E119 HydrophobicContact CH2-CG 3.54Å; W75-E119 WeakPolarHBondContact CH2-OE1 3.42Å; W75-E119 HydrophobicContact CZ2-CG 3.55Å; L83-E119 HydrophobicContact CD1-CB 4.46Å; E119-Q197 CarbonylContact C-O 3.54Å; E119-Q197 VanDerWaalsContact CA-O 3.29Å; E119-Q197 WeakPolarHBondContact CA-O 3.35Å; E119-Y227 CarbonylContact O-C 3.58Å; E119-Y227 VanDerWaalsContact O-CA 3.3Å; E119-Y227 WeakPolarHBondContact O-CA 3.29Å; E119-R228 HydrophobicContact CB-CG 4.08Å; E119-R228 PolarHBondContact N-O 3.3Å; E119-R228 PolarHBondContact O-N 3.26Å; E119-R228 IonicContact OE1-CZ 2.72Å; E119-R228 IonicContact OE1-NH2 3.03Å; E119-R228 PolarHBondContact OE1-NH2 3.32Å; E119-R228 IonicContact OE2-CZ 3.89Å; E119-R228 IonicContact OE2-NE 3.73Å; E119-R228 PolarHBondContact OE2-NE 2.98Å; E119-R228 IonicContact OE2-NH2 3.2Å; E119-R228 PolarHBondContact OE2-NH2 3.29Å; E119-Y230 WeakPolarHBondContact OE2-CE1 3.46Å; E119-Y230 PolarHBondContact OE2-OH 3.03Å
120	F	98.7	Very high	96.4	Very high	1 Å²	1	33.3 Å²	33.3	0%	0.004	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	159.7	175.6	68.6	-84.6	0	0	0	113.9	I127 F129 Q190 Q197 F213 L225 Y226	F120-I127 HydrophobicContact CD2-CG2 4.48Å; F120-I127 HydrophobicContact CE2-CG2 4.04Å; F120-F129 HydrophobicContact CD1-CD2 4.36Å; F120-F129 HydrophobicContact CD1-CE2 4.31Å; F120-F129 HydrophobicContact CE1-CB 4.24Å; F120-F129 AromaticContact CE1-CD1 3.71Å; F120-F129 HydrophobicContact CE1-CD1 3.71Å; F120-F129 AromaticContact CE1-CD2 3.68Å; F120-F129 HydrophobicContact CE1-CD2 3.68Å; F120-F129 AromaticContact CE1-CE1 3.91Å; F120-F129 HydrophobicContact CE1-CE1 3.91Å; F120-F129 AromaticContact CE1-CE2 3.87Å; F120-F129 HydrophobicContact CE1-CE2 3.87Å; F120-F129 AromaticContact CE1-CG 3.58Å; F120-F129 HydrophobicContact CE1-CG 3.58Å; F120-F129 AromaticContact CE1-CZ 3.98Å; F120-F129 HydrophobicContact CE1-CZ 3.98Å; F120-F129 HydrophobicContact CE2-CB 4.29Å; F120-F129 HydrophobicContact CE2-CG 4.45Å; F120-F129 HydrophobicContact CZ-CB 3.58Å; F120-F129 AromaticContact CZ-CD1 3.86Å; F120-F129 HydrophobicContact CZ-CD1 3.86Å; F120-F129 AromaticContact CZ-CD2 3.83Å; F120-F129 HydrophobicContact CZ-CD2 3.83Å; F120-F129 HydrophobicContact CZ-CE2 4.48Å; F120-F129 AromaticContact CZ-CG 3.46Å; F120-F129 HydrophobicContact CZ-CG 3.46Å; F120-F129 VanDerWaalsContact CZ-CG 3.46Å; F120-Q190 HydrophobicContact CZ-CB 4.4Å; F120-Q190 HydrophobicContact CZ-CG 4.38Å; F120-Q197 HydrophobicContact CD1-CB 3.81Å; F120-Q197 HydrophobicContact CD2-CB 4.14Å; F120-Q197 HydrophobicContact CD2-CG 4.45Å; F120-Q197 HydrophobicContact CE1-CB 3.35Å; F120-Q197 HydrophobicContact CE1-CG 4.29Å; F120-Q197 HydrophobicContact CE2-CB 3.72Å; F120-Q197 HydrophobicContact CE2-CG 3.81Å; F120-Q197 HydrophobicContact CG-CB 4.18Å; F120-Q197 HydrophobicContact CZ-CB 3.3Å; F120-Q197 HydrophobicContact CZ-CG 3.72Å; F120-Q197 PolarHBondContact N-O 3.41Å; F120-Q197 PolarHBondContact O-N 2.83Å; F120-F213 HydrophobicContact CB-CE1 3.93Å; F120-F213 HydrophobicContact CB-CZ 4.31Å; F120-F213 AromaticContact CD1-CE1 3.88Å; F120-F213 HydrophobicContact CD1-CE1 3.88Å; F120-F213 HydrophobicContact CD1-CZ 4.39Å; F120-F213 HydrophobicContact CD2-CD1 4.44Å; F120-F213 AromaticContact CD2-CE1 3.84Å; F120-F213 HydrophobicContact CD2-CE1 3.84Å; F120-F213 HydrophobicContact CE1-CE1 4.3Å; F120-F213 HydrophobicContact CE2-CE1 4.26Å; F120-F213 AromaticContact CG-CE1 3.63Å; F120-F213 HydrophobicContact CG-CE1 3.63Å; F120-F213 HydrophobicContact CG-CZ 4.33Å; F120-F213 HydrophobicContact CZ-CE1 4.47Å; F120-L225 HydrophobicContact CB-CD1 4.03Å; F120-L225 HydrophobicContact CD2-CD1 4.11Å; F120-L225 HydrophobicContact CG-CD1 4.46Å; F120-Y226 CarbonylContact C-O 3.31Å; F120-Y226 WeakPolarHBondContact CA-O 3.38Å; F120-Y226 WeakPolarHBondContact CB-O 3.3Å
121	A	98.8	Very high	96.7	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	159.3	170.6	0	0	0	0	0	109.8	V80 L83 K84 S192 Y226	V80-A121 HydrophobicContact CG1-CB 4.22Å; L83-A121 HydrophobicContact CD2-CB 4.08Å; K84-A121 HydrophobicContact CG-CB 4.35Å; A121-S192 CarbonylContact C-O 3.51Å; A121-S192 VanDerWaalsContact CA-O 3.29Å; A121-S192 WeakPolarHBondContact CA-O 3.23Å; A121-S192 WeakPolarHBondContact CB-O 3.47Å; A121-Y226 PolarHBondContact N-O 3.43Å; A121-Y226 PolarHBondContact O-N 2.96Å
122	T	98.8	Very high	97	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	155.7	178.4	48.5	0	0	0	0	111.7	K84 F125 I127 S192 H193 T224 L225	K84-T122 VanDerWaalsContact CE-O 3.3Å; K84-T122 WeakPolarHBondContact CE-O 3.34Å; K84-T122 PolarHBondContact NZ-O 2.79Å; T122-F125 WeakPolarHBondContact CB-O 3.34Å; T122-F125 PolarHBondContact OG1-O 3.43Å; T122-I127 HydrophobicContact CG2-CB 4.08Å; T122-I127 HydrophobicContact CG2-CG2 3.77Å; T122-S192 WeakPolarHBondContact CG2-OG 3.46Å; T122-S192 PolarHBondContact N-O 2.91Å; T122-S192 VanDerWaalsContact OG1-C 3.32Å; T122-S192 PolarHBondContact OG1-OG 3.26Å; T122-H193 WeakPolarHBondContact O-CA 3.31Å; T122-H193 PolarHBondContact OG1-N 2.8Å; T122-T224 CarbonylContact C-O 3.58Å; T122-T224 VanDerWaalsContact CA-O 3.27Å; T122-T224 WeakPolarHBondContact CA-O 3.26Å; T122-L225 HydrophobicContact CG2-CD1 3.95Å
123	D	98.4	Very high	97.2	Very high	54 Å²	54	23.9 Å²	23.9	29%	0.289	13%	0.126	S	C	.	.	S	Bend	trans	-83	134.1	166	-71.6	-29.1	0	0	0	111.4	K84 F125 T224 Y226	K84-D123 WeakPolarHBondContact CE-OD1 3.35Å; K84-D123 IonicContact NZ-OD1 3.35Å; K84-D123 PolarHBondContact NZ-OD1 2.95Å; D123-F125 PolarHBondContact O-N 3.37Å; D123-T224 PolarHBondContact N-O 2.9Å; D123-Y226 VanDerWaalsContact OD2-CE2 3.26Å; D123-Y226 WeakPolarHBondContact OD2-CE2 3.34Å; D123-Y226 PolarHBondContact OD2-OH 3.27Å
124	G	96.1	Very high	97.4	Very high	51 Å²	51	25 Å²	25	53%	0.526	13%	0.13	S	C	.	.	S	Bend	trans	77.7	-46.3	166.4	0	0	0	0	0	116.7	H193	G124-H193 PolarHBondContact O-CD2 2.8Å
125	F	97.9	Very high	97.5	Very high	79 Å²	79	20.8 Å²	20.8	35%	0.346	11%	0.11	S	C	.	.	S	Bend	trans	-139.5	162.8	-167.5	-60.1	-81.8	0	0	0	112.5	T122 D123 K223	T122-F125 WeakPolarHBondContact CB-O 3.34Å; T122-F125 PolarHBondContact OG1-O 3.43Å; D123-F125 PolarHBondContact O-N 3.37Å; F125-K223 HydrophobicContact CB-CD 3.9Å
126	D	98.5	Very high	97.4	Very high	18 Å²	18	20.9 Å²	20.9	10%	0.096	12%	0.116	C	C	.	.			trans	-65.7	166.6	172.9	64.2	-37.8	0	0	0	112.7	R189 Q190 H193 Y217 K223	D126-R189 VanDerWaalsContact CG-NH2 3.34Å; D126-R189 IonicContact OD1-NH2 2.65Å; D126-R189 PolarHBondContact OD1-NH2 2.98Å; D126-R189 IonicContact OD2-CZ 3.07Å; D126-R189 IonicContact OD2-NE 2.64Å; D126-R189 PolarHBondContact OD2-NE 3.02Å; D126-R189 IonicContact OD2-NH2 3.08Å; D126-R189 PolarHBondContact OD2-NH2 2.96Å; D126-Q190 WeakPolarHBondContact CA-O 3.18Å; D126-Q190 WeakPolarHBondContact CB-O 3.4Å; D126-H193 PolarHBondContact N-ND1 2.99Å; D126-H193 VanDerWaalsContact N-ND1 3.13Å; D126-Y217 PolarHBondContact O-OH 3.35Å; D126-K223 WeakPolarHBondContact O-CD 3.49Å; D126-K223 WeakPolarHBondContact O-CE 3.17Å
127	I	98.7	Very high	97.2	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	148.3	172.3	-163.5	166.2	0	0	0	108.7	V97 F120 T122 Q190 F213 D214 Y217 K223	V97-I127 HydrophobicContact CB-CD1 4.29Å; V97-I127 HydrophobicContact CG2-CD1 4.09Å; F120-I127 HydrophobicContact CD2-CG2 4.48Å; F120-I127 HydrophobicContact CE2-CG2 4.04Å; T122-I127 HydrophobicContact CG2-CB 4.08Å; T122-I127 HydrophobicContact CG2-CG2 3.77Å; I127-Q190 PolarHBondContact N-O 3.21Å; I127-Q190 PolarHBondContact O-N 3.17Å; I127-F213 HydrophobicContact CD1-CB 3.93Å; I127-D214 WeakPolarHBondContact CG1-O 3.3Å; I127-Y217 WeakPolarHBondContact CA-OH 3.22Å; I127-K223 HydrophobicContact CD1-CB 4.1Å; I127-K223 HydrophobicContact CD1-CG 4.18Å; I127-K223 HydrophobicContact CG1-CG 4.43Å
128	G	98.7	Very high	96.8	Very high	2 Å²	2	26.3 Å²	26.3	2%	0.021	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	137.3	170.6	0	0	0	0	0	110	Y188 F213 D214	G128-Y188 WeakPolarHBondContact CA-O 3.2Å; G128-F213 CarbonylContact O-C 3.4Å; G128-F213 WeakPolarHBondContact O-CA 3.36Å; G128-D214 WeakPolarHBondContact CA-O 3.37Å; G128-D214 PolarHBondContact N-O 3.17Å; G128-D214 PolarHBondContact O-N 2.84Å
129	F	98.8	Very high	96.2	Very high	5 Å²	5	33 Å²	33	2%	0.022	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	132.3	175.6	-179.7	-104.6	0	0	0	110.8	W118 F120 I131 L185 V187 Y188 Q190 L211 K212 F213	W118-F129 AromaticContact CD1-CE1 3.87Å; W118-F129 AromaticContact CD1-CZ 3.54Å; W118-F129 HydrophobicContact CD2-CZ 4.32Å; W118-F129 HydrophobicContact CG-CZ 4.01Å; W118-F129 AromaticContact NE1-CE1 3.44Å; W118-F129 AromaticContact NE1-CZ 3.57Å; F120-F129 HydrophobicContact CD1-CD2 4.36Å; F120-F129 HydrophobicContact CD1-CE2 4.31Å; F120-F129 HydrophobicContact CE1-CB 4.24Å; F120-F129 AromaticContact CE1-CD1 3.71Å; F120-F129 HydrophobicContact CE1-CD1 3.71Å; F120-F129 AromaticContact CE1-CD2 3.68Å; F120-F129 HydrophobicContact CE1-CD2 3.68Å; F120-F129 AromaticContact CE1-CE1 3.91Å; F120-F129 HydrophobicContact CE1-CE1 3.91Å; F120-F129 AromaticContact CE1-CE2 3.87Å; F120-F129 HydrophobicContact CE1-CE2 3.87Å; F120-F129 AromaticContact CE1-CG 3.58Å; F120-F129 HydrophobicContact CE1-CG 3.58Å; F120-F129 AromaticContact CE1-CZ 3.98Å; F120-F129 HydrophobicContact CE1-CZ 3.98Å; F120-F129 HydrophobicContact CE2-CB 4.29Å; F120-F129 HydrophobicContact CE2-CG 4.45Å; F120-F129 HydrophobicContact CZ-CB 3.58Å; F120-F129 AromaticContact CZ-CD1 3.86Å; F120-F129 HydrophobicContact CZ-CD1 3.86Å; F120-F129 AromaticContact CZ-CD2 3.83Å; F120-F129 HydrophobicContact CZ-CD2 3.83Å; F120-F129 HydrophobicContact CZ-CE2 4.48Å; F120-F129 AromaticContact CZ-CG 3.46Å; F120-F129 HydrophobicContact CZ-CG 3.46Å; F120-F129 VanDerWaalsContact CZ-CG 3.46Å; F129-I131 HydrophobicContact CE1-CD1 3.91Å; F129-I131 HydrophobicContact CE1-CG1 3.89Å; F129-I131 HydrophobicContact CZ-CD1 3.83Å; F129-I131 HydrophobicContact CZ-CG1 3.76Å; F129-L185 HydrophobicContact CD1-CD2 3.82Å; F129-L185 HydrophobicContact CE1-CD2 3.76Å; F129-V187 WeakPolarHBondContact O-CA 3.35Å; F129-Y188 PolarHBondContact N-O 3.12Å; F129-Y188 PolarHBondContact O-N 3.21Å; F129-Y188 VanDerWaalsContact O-N 3.12Å; F129-Q190 HydrophobicContact CB-CG 4.03Å; F129-L211 HydrophobicContact CE2-CB 4.27Å; F129-L211 HydrophobicContact CE2-CD2 4.33Å; F129-L211 HydrophobicContact CZ-CD2 4.25Å; F129-K212 VanDerWaalsContact CA-O 3.32Å; F129-K212 WeakPolarHBondContact CA-O 3.38Å; F129-F213 AromaticContact CD2-CD1 3.86Å; F129-F213 HydrophobicContact CD2-CD1 3.86Å; F129-F213 AromaticContact CD2-CE1 3.57Å; F129-F213 HydrophobicContact CD2-CE1 3.57Å; F129-F213 HydrophobicContact CD2-CZ 4.08Å; F129-F213 HydrophobicContact CE2-CD1 4.45Å; F129-F213 AromaticContact CE2-CE1 3.82Å; F129-F213 HydrophobicContact CE2-CE1 3.82Å; F129-F213 HydrophobicContact CE2-CE2 4.49Å; F129-F213 AromaticContact CE2-CZ 3.85Å; F129-F213 HydrophobicContact CE2-CZ 3.85Å
130	G	98.3	Very high	95.7	Very high	0 Å²	0	35 Å²	35	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	167.6	174.2	0	0	0	0	0	111.7	L185 K212	G130-L185 CarbonylContact C-O 3.59Å; G130-L185 VanDerWaalsContact CA-O 3.25Å; G130-L185 WeakPolarHBondContact CA-O 3.08Å; G130-K212 PolarHBondContact N-O 3.01Å; G130-K212 VanDerWaalsContact N-O 3.13Å; G130-K212 PolarHBondContact O-N 3.01Å
131	I	98.4	Very high	95	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	127.8	-175.4	-51.7	179.9	0	0	0	109.1	W118 F129 I184 L185 Y209 L210 L211	W118-I131 HydrophobicContact CD2-CD1 3.98Å; W118-I131 HydrophobicContact CE3-CD1 3.91Å; W118-I131 HydrophobicContact CH2-CD1 3.42Å; W118-I131 VanDerWaalsContact CH2-CD1 3.42Å; W118-I131 HydrophobicContact CZ2-CD1 3.48Å; W118-I131 VanDerWaalsContact CZ2-CD1 3.48Å; W118-I131 HydrophobicContact CZ3-CD1 3.64Å; F129-I131 HydrophobicContact CE1-CD1 3.91Å; F129-I131 HydrophobicContact CE1-CG1 3.89Å; F129-I131 HydrophobicContact CZ-CD1 3.83Å; F129-I131 HydrophobicContact CZ-CG1 3.76Å; I131-I184 HydrophobicContact CB-CB 4.21Å; I131-I184 HydrophobicContact CB-CG2 4.38Å; I131-I184 HydrophobicContact CG2-CB 4.14Å; I131-I184 HydrophobicContact CG2-CD1 4.21Å; I131-I184 HydrophobicContact CG2-CG2 4.35Å; I131-I184 PolarHBondContact O-N 2.91Å; I131-L185 HydrophobicContact CB-CB 3.98Å; I131-L185 HydrophobicContact CD1-CB 4.45Å; I131-L185 HydrophobicContact CD1-CD2 4.38Å; I131-L185 HydrophobicContact CG1-CB 4.08Å; I131-L185 HydrophobicContact CG1-CD2 4.32Å; I131-L185 PolarHBondContact N-O 2.88Å; I131-L185 PolarHBondContact O-N 2.65Å; I131-Y209 HydrophobicContact CG2-CD1 3.86Å; I131-L210 WeakPolarHBondContact CA-O 3.47Å; I131-L211 HydrophobicContact CG1-CG 4.31Å
132	Y	97.4	Very high	94.4	Very high	41 Å²	41	44.1 Å²	44.1	16%	0.161	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	162.8	168.8	-59.3	-94.7	0	0	0	110.4	L181 A182 E183 V187 Y209 L210 K212	Y132-L181 HydrophobicContact CD1-CD2 3.73Å; Y132-L181 HydrophobicContact CD1-CG 4.09Å; Y132-L181 HydrophobicContact CE1-CD2 4.47Å; Y132-L181 HydrophobicContact CG-CD2 4.01Å; Y132-L181 HydrophobicContact CG-CG 4.32Å; Y132-A182 CarbonylContact C-O 3.53Å; Y132-A182 VanDerWaalsContact CA-O 3.3Å; Y132-A182 WeakPolarHBondContact CA-O 3.15Å; Y132-E183 HydrophobicContact CD1-CB 3.98Å; Y132-E183 HydrophobicContact CD1-CG 4.19Å; Y132-E183 HydrophobicContact CE1-CB 3.81Å; Y132-E183 HydrophobicContact CE1-CG 3.72Å; Y132-E183 WeakPolarHBondContact CE1-OE2 3.34Å; Y132-E183 PolarHBondContact OH-OE2 2.9Å; Y132-V187 HydrophobicContact CE2-CG2 4.1Å; Y132-Y209 CarbonylContact O-C 3.58Å; Y132-Y209 WeakPolarHBondContact O-CA 3.39Å; Y132-L210 PolarHBondContact N-O 2.99Å; Y132-L210 PolarHBondContact O-N 3.27Å; Y132-K212 HydrophobicContact CD2-CD 3.74Å; Y132-K212 HydrophobicContact CD2-CG 4.19Å; Y132-K212 HydrophobicContact CE2-CD 3.63Å; Y132-K212 HydrophobicContact CE2-CG 4.38Å
133	F	96.8	Very high	93.9	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	122.3	172.8	-166.1	-99.7	0	0	0	109.6	T109 W135 L181 A182 I184 P204 G207 Y209	T109-F133 HydrophobicContact CG2-CE2 3.8Å; T109-F133 HydrophobicContact CG2-CZ 3.99Å; F133-W135 AromaticContact CD1-CD2 3.69Å; F133-W135 HydrophobicContact CD1-CD2 3.69Å; F133-W135 AromaticContact CD1-CE2 3.71Å; F133-W135 AromaticContact CD1-CE3 3.99Å; F133-W135 HydrophobicContact CD1-CE3 3.99Å; F133-W135 HydrophobicContact CD1-CG 4.16Å; F133-W135 HydrophobicContact CD1-CH2 4.35Å; F133-W135 HydrophobicContact CD1-CZ2 4.07Å; F133-W135 HydrophobicContact CD1-CZ3 4.3Å; F133-W135 AromaticContact CE1-CD2 3.68Å; F133-W135 HydrophobicContact CE1-CD2 3.68Å; F133-W135 AromaticContact CE1-CE3 3.48Å; F133-W135 HydrophobicContact CE1-CE3 3.48Å; F133-W135 VanDerWaalsContact CE1-CE3 3.48Å; F133-W135 HydrophobicContact CE1-CG 4.37Å; F133-W135 HydrophobicContact CE1-CH2 4.11Å; F133-W135 HydrophobicContact CE1-CZ2 4.28Å; F133-W135 AromaticContact CE1-CZ3 3.7Å; F133-W135 HydrophobicContact CE1-CZ3 3.7Å; F133-L181 WeakPolarHBondContact O-CA 3.41Å; F133-A182 PolarHBondContact N-O 2.7Å; F133-A182 PolarHBondContact O-N 2.78Å; F133-I184 HydrophobicContact CB-CD1 3.71Å; F133-I184 HydrophobicContact CB-CG1 4.28Å; F133-I184 HydrophobicContact CD2-CD1 4.41Å; F133-I184 HydrophobicContact CG-CD1 4.41Å; F133-P204 HydrophobicContact CD1-CG 3.94Å; F133-P204 HydrophobicContact CD2-CG 4.14Å; F133-P204 HydrophobicContact CE1-CG 3.83Å; F133-P204 HydrophobicContact CE2-CG 4.03Å; F133-P204 HydrophobicContact CG-CG 4.09Å; F133-P204 HydrophobicContact CZ-CG 3.86Å; F133-G207 VanDerWaalsContact CZ-CA 3.45Å; F133-Y209 AromaticContact CD2-CD1 3.99Å; F133-Y209 HydrophobicContact CD2-CD1 3.99Å; F133-Y209 AromaticContact CD2-CD2 3.84Å; F133-Y209 HydrophobicContact CD2-CD2 3.84Å; F133-Y209 AromaticContact CD2-CE1 3.99Å; F133-Y209 HydrophobicContact CD2-CE1 3.99Å; F133-Y209 AromaticContact CD2-CE2 3.81Å; F133-Y209 HydrophobicContact CD2-CE2 3.81Å; F133-Y209 AromaticContact CD2-CG 3.92Å; F133-Y209 HydrophobicContact CD2-CG 3.92Å; F133-Y209 AromaticContact CD2-CZ 3.87Å; F133-Y209 AromaticContact CE2-CD2 3.75Å; F133-Y209 HydrophobicContact CE2-CD2 3.75Å; F133-Y209 HydrophobicContact CE2-CE1 4.5Å; F133-Y209 AromaticContact CE2-CE2 3.52Å; F133-Y209 HydrophobicContact CE2-CE2 3.52Å; F133-Y209 HydrophobicContact CE2-CG 4.31Å; F133-Y209 AromaticContact CE2-CZ 3.93Å
134	D	95.2	Very high	93.4	Very high	39 Å²	39	43.4 Å²	43.4	21%	0.209	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	115.8	173.7	-174.5	-5.6	0	0	0	109.2	T136 L181 G207 T208	D134-T136 PolarHBondContact O-N 3.2Å; D134-T136 WeakPolarHBondContact OD1-CB 3.36Å; D134-T136 PolarHBondContact OD1-N 3.31Å; D134-T136 PolarHBondContact OD1-OG1 2.94Å; D134-L181 HydrophobicContact CB-CD1 4.04Å; D134-G207 CarbonylContact O-C 3.47Å; D134-G207 WeakPolarHBondContact O-CA 3.33Å; D134-T208 PolarHBondContact N-O 3.48Å; D134-T208 PolarHBondContact O-N 2.88Å
135	W	94.5	Very high	93.2	Very high	51 Å²	51	41.2 Å²	41.2	19%	0.193	22%	0.224	C	C	.	.			trans	-74.6	-1	177.9	-65.8	106.5	0	0	0	113.6	P67 L69 F133 N180 P204	P67-W135 HydrophobicContact CB-CH2 3.88Å; P67-W135 HydrophobicContact CB-CZ2 4.25Å; P67-W135 HydrophobicContact CG-CH2 3.8Å; P67-W135 HydrophobicContact CG-CZ2 4.23Å; P67-W135 HydrophobicContact CG-CZ3 4.24Å; L69-W135 HydrophobicContact CD2-CH2 4.36Å; L69-W135 HydrophobicContact CD2-CZ2 3.63Å; F133-W135 AromaticContact CD1-CD2 3.69Å; F133-W135 HydrophobicContact CD1-CD2 3.69Å; F133-W135 AromaticContact CD1-CE2 3.71Å; F133-W135 AromaticContact CD1-CE3 3.99Å; F133-W135 HydrophobicContact CD1-CE3 3.99Å; F133-W135 HydrophobicContact CD1-CG 4.16Å; F133-W135 HydrophobicContact CD1-CH2 4.35Å; F133-W135 HydrophobicContact CD1-CZ2 4.07Å; F133-W135 HydrophobicContact CD1-CZ3 4.3Å; F133-W135 AromaticContact CE1-CD2 3.68Å; F133-W135 HydrophobicContact CE1-CD2 3.68Å; F133-W135 AromaticContact CE1-CE3 3.48Å; F133-W135 HydrophobicContact CE1-CE3 3.48Å; F133-W135 VanDerWaalsContact CE1-CE3 3.48Å; F133-W135 HydrophobicContact CE1-CG 4.37Å; F133-W135 HydrophobicContact CE1-CH2 4.11Å; F133-W135 HydrophobicContact CE1-CZ2 4.28Å; F133-W135 AromaticContact CE1-CZ3 3.7Å; F133-W135 HydrophobicContact CE1-CZ3 3.7Å; W135-N180 HydrophobicContact CB-CB 4.3Å; W135-N180 PolarHBondContact N-O 2.91Å; W135-P204 HydrophobicContact CH2-CB 3.68Å; W135-P204 HydrophobicContact CH2-CG 3.86Å; W135-P204 HydrophobicContact CZ2-CB 4.2Å; W135-P204 HydrophobicContact CZ2-CG 4.24Å; W135-P204 HydrophobicContact CZ3-CG 4.47Å
136	T	92.2	Very high	92.8	Very high	60 Å²	60	40 Å²	40	37%	0.368	22%	0.22	S	C	.	.	S	Bend	trans	-58.5	129.4	173.6	-57.3	0	0	0	0	109.9	D134 V138	D134-T136 PolarHBondContact O-N 3.2Å; D134-T136 WeakPolarHBondContact OD1-CB 3.36Å; D134-T136 PolarHBondContact OD1-N 3.31Å; D134-T136 PolarHBondContact OD1-OG1 2.94Å; T136-V138 PolarHBondContact O-N 2.57Å
137	P	91.1	Very high	92.4	Very high	95 Å²	95	42.1 Å²	42.1	62%	0.617	23%	0.23	S	C	*	.	P	Polyproline II helix	trans	-52	140.3	-178	-29.5	35.3	0	0	0	113.1	T139	P137-T139 PolarHBondContact O-N 3.32Å
138	V	89.4	Confident	92	Very high	32 Å²	32	44.9 Å²	44.9	19%	0.194	25%	0.25	C	C	.	.	P	Polyproline II helix	trans	-72.8	118.2	-174.3	174.2	0	0	0	0	109.9	P108 T136 S140 E206 G207	P108-V138 HydrophobicContact CB-CG1 3.62Å; P108-V138 HydrophobicContact CB-CG2 4.15Å; T136-V138 PolarHBondContact O-N 2.57Å; V138-S140 WeakPolarHBondContact CG1-O 3.49Å; V138-E206 HydrophobicContact CB-CG 4.4Å; V138-E206 HydrophobicContact CG2-CG 3.97Å; V138-E206 PolarHBondContact N-OE1 3.13Å; V138-G207 WeakPolarHBondContact CG2-O 3.47Å
139	T	85.9	Confident	91.5	Very high	146 Å²	146	52.5 Å²	52.5	90%	0.896	29%	0.285	S	S	*	.	S	Bend	trans	-94.5	-15.1	177.8	59.2	0	0	0	0	113.4	P137	P137-T139 PolarHBondContact O-N 3.32Å
140	S	86.3	Confident	90.5	Very high	61 Å²	61	54.7 Å²	54.7	43%	0.427	30%	0.3	S	S	.	.			trans	-150.9	147.5	180	177.7	0	0	0	0	110.9	P108 V138 S142	P108-S140 WeakPolarHBondContact CB-O 3.3Å; P108-S140 WeakPolarHBondContact CG-O 3.37Å; V138-S140 WeakPolarHBondContact CG1-O 3.49Å; S140-S142 PolarHBondContact OG-N 2.88Å
141	R	84.6	Confident	88.5	Confident	138 Å²	138	59.4 Å²	59.4	52%	0.521	33%	0.333	S	S	.	.			trans	-95.1	7.4	177.1	-58.3	-175	-174.6	-169.7	0.3	113.4	V110 E112	V110-R141 HydrophobicContact CG1-CB 4.31Å; V110-R141 HydrophobicContact CG1-CG 4.36Å; E112-R141 IonicContact OE1-NH1 2.99Å; E112-R141 PolarHBondContact OE1-NH1 3.11Å; E112-R141 IonicContact OE2-NH1 3.68Å
142	S	85.5	Confident	86.3	Confident	54 Å²	54	65.5 Å²	65.5	38%	0.378	37%	0.366	S	S	.	.			trans	-84	128.9	179.3	-63.7	0	0	0	0	110.8	S140	S140-S142 PolarHBondContact OG-N 2.88Å
143	I	89.1	Confident	83.7	Confident	7 Å²	7	69.5 Å²	69.5	4%	0.036	39%	0.39	C	S	.	.			trans	-70.7	127.9	167.5	-63.2	173.1	0	0	0	108	V8 T9 V105 H106 V107 Y231	V8-I143 HydrophobicContact CG1-CB 4.4Å; V8-I143 HydrophobicContact CG1-CG2 4.03Å; V8-I143 HydrophobicContact CG2-CD1 4.11Å; T9-I143 CarbonylContact C-O 3.54Å; T9-I143 PolarHBondContact N-O 2.86Å; V105-I143 HydrophobicContact CG1-CG2 3.77Å; H106-I143 WeakPolarHBondContact O-CA 3.39Å; H106-I143 WeakPolarHBondContact O-CG2 3.48Å; V107-I143 HydrophobicContact CG1-CD1 4.1Å; V107-I143 HydrophobicContact CG1-CG1 4.11Å; V107-I143 HydrophobicContact CG2-CG2 4.15Å; I143-Y231 HydrophobicContact CD1-CE2 4.34Å
144	T	89.1	Confident	81.3	Confident	33 Å²	33	77.5 Å²	77.5	20%	0.202	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	160	179.5	63	0	0	0	0	111.6	V105 H106	V105-T144 WeakPolarHBondContact CA-O 3.22Å; H106-T144 WeakPolarHBondContact CB-OG1 3.32Å; H106-T144 PolarHBondContact N-O 2.76Å; H106-T144 PolarHBondContact O-N 2.81Å; H106-T144 VanDerWaalsContact O-N 3.1Å
145	V	90.5	Very high	78.9	Confident	4 Å²	4	82.4 Å²	82.4	2%	0.024	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	134	178.8	177.4	0	0	0	0	109	V10 M103 T104 V105 Y227	V10-V145 HydrophobicContact CB-CG2 4.46Å; V10-V145 HydrophobicContact CG1-CB 4.23Å; V10-V145 HydrophobicContact CG1-CG2 4.11Å; V10-V145 HydrophobicContact CG2-CG2 3.91Å; M103-V145 HydrophobicContact CE-CG1 3.65Å; M103-V145 HydrophobicContact CE-CG2 4.28Å; M103-V145 HydrophobicContact CG-CG1 3.88Å; M103-V145 HydrophobicContact SD-CG1 4.19Å; T104-V145 WeakPolarHBondContact O-CA 3.46Å; V105-V145 HydrophobicContact CG1-CG2 4.4Å; V105-V145 HydrophobicContact CG2-CG2 4.35Å; V145-Y227 WeakPolarHBondContact CG2-OH 3.31Å
146	H	89.5	Confident	76.9	Confident	54 Å²	54	89.2 Å²	89.2	25%	0.25	49%	0.488	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	139.6	177.9	-73.9	-126.5	0	0	0	109.1	K13 M103 T104 H106	K13-H146 WeakPolarHBondContact CE-CE1 3.16Å; K13-H146 PolarHBondContact NZ-CE1 2.69Å; M103-H146 CarbonylContact C-O 3.59Å; M103-H146 WeakPolarHBondContact CA-O 3.38Å; T104-H146 PolarHBondContact N-O 2.88Å; T104-H146 PolarHBondContact O-N 2.85Å; H106-H146 AromaticContact CD2-CD2 3.73Å; H106-H146 AromaticContact NE2-CD2 3.92Å; H106-H146 AromaticContact NE2-CG 3.98Å
147	I	91.2	Very high	74.5	Confident	62 Å²	62	95 Å²	95	32%	0.318	51%	0.511	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	128.9	174.7	-58.3	175.1	0	0	0	106.8	W12 D101 M103	W12-I147 HydrophobicContact CE3-CD1 4.12Å; W12-I147 HydrophobicContact CZ3-CD1 3.88Å; D101-I147 HydrophobicContact CB-CG2 3.93Å; D101-I147 WeakPolarHBondContact OD2-CG2 3.32Å; M103-I147 HydrophobicContact CB-CG1 4.32Å; M103-I147 HydrophobicContact CG-CG1 4.42Å
148	S	90.4	Very high	72.5	Confident	58 Å²	58	100.2 Å²	100.2	41%	0.406	53%	0.527	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	137.1	178.1	54.1	0	0	0	0	109.4	D101 I102	D101-S148 CarbonylContact C-O 3.49Å; D101-S148 WeakPolarHBondContact CA-O 3.46Å; I102-S148 PolarHBondContact N-O 2.87Å; I102-S148 PolarHBondContact O-N 3.13Å; I102-S148 PolarHBondContact O-OG 2.81Å
149	E	88.1	Confident	70.3	Confident	163 Å²	163	107.3 Å²	107.3	76%	0.762	56%	0.558	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-71.7	145.2	166.5	-67.6	174.5	149.3	0	0	109	D101 S151	D101-E149 WeakPolarHBondContact OD1-CG 3.38Å; E149-S151 PolarHBondContact O-N 3.01Å
150	S	76.3	Confident	68.3	Low	50 Å²	50	108.2 Å²	108.2	35%	0.35	56%	0.557	S	S	.	*			trans	-63.1	118.9	168.4	55.8	0	0	0	0	109	G100 D152	G100-S150 PolarHBondContact O-N 3.18Å; G100-S150 PolarHBondContact O-OG 3.12Å; S150-D152 VanDerWaalsContact C-N 3.27Å; S150-D152 PolarHBondContact O-N 2.95Å
151	S	57.8	Low	66.6	Low	99 Å²	99	114.7 Å²	114.7	69%	0.692	58%	0.58	S	S	*	*			trans	-68.2	91.2	170.2	-151.7	0	0	0	0	107.4	E149 D153	E149-S151 PolarHBondContact O-N 3.01Å; S151-D153 PolarHBondContact O-N 2.95Å; S151-D153 VanDerWaalsContact O-N 3.13Å; S151-D153 PolarHBondContact OG-OD2 3.06Å
152	D	51.6	Low	64.4	Low	129 Å²	129	111.6 Å²	111.6	69%	0.69	59%	0.591	S	S	*	*			trans	-80.4	69.3	172.6	-167.8	38.6	0	0	0	107.6	S150 E154	S150-D152 VanDerWaalsContact C-N 3.27Å; S150-D152 PolarHBondContact O-N 2.95Å; D152-E154 PolarHBondContact O-N 2.84Å
153	D	42.4	Very low	62.5	Low	124 Å²	124	115.5 Å²	115.5	66%	0.663	62%	0.615	S	S	*	*			trans	-85.9	68.6	170.1	-63.9	-53.4	0	0	0	108.3	S151	S151-D153 PolarHBondContact O-N 2.95Å; S151-D153 VanDerWaalsContact O-N 3.13Å; S151-D153 PolarHBondContact OG-OD2 3.06Å
154	E	46.1	Very low	60.6	Low	168 Å²	168	123.3 Å²	123.3	79%	0.785	66%	0.656	S	S	*	*			trans	-89.5	83	155.7	-70.4	-163.5	-179	0	0	107.2	D152 E156	D152-E154 PolarHBondContact O-N 2.84Å; E154-E156 PolarHBondContact O-N 3.07Å; E154-E156 VanDerWaalsContact O-N 3.09Å
155	D	44.3	Very low	58.4	Low	142 Å²	142	125.2 Å²	125.2	76%	0.759	68%	0.682	S	S	*	*			trans	-65.2	108.4	167.3	-77.8	-39.7	0	0	0	108.7	E157	D155-E157 PolarHBondContact O-N 2.64Å
156	E	53.2	Low	56.6	Low	194 Å²	194	132.6 Å²	132.6	91%	0.907	72%	0.721	S	S	*	*			trans	-61.6	103.8	164.3	-66.2	178	163.4	0	0	109.6	E154	E154-E156 PolarHBondContact O-N 3.07Å; E154-E156 VanDerWaalsContact O-N 3.09Å
157	E	42.4	Very low	54.7	Low	183 Å²	183	137 Å²	137	86%	0.855	75%	0.747	S	S	*	*			trans	-122.1	89.8	162.4	-73.6	-167.4	177.9	0	0	111	D155	D155-E157 PolarHBondContact O-N 2.64Å
158	E	49.9	Very low	53	Low	203 Å²	203	141.3 Å²	141.3	95%	0.949	77%	0.77	S	S	*	*			trans	-79.2	94.9	148.7	-87.4	-170.2	158.2	0	0	108.6
159	E	42.6	Very low	51.1	Low	182 Å²	182	144.8 Å²	144.8	85%	0.85	79%	0.789	S	S	*	*			trans	-155.3	103.9	153.5	-149	163.9	178	0	0	114.7
160	L	44.5	Very low	49.7	Very low	165 Å²	165	145.3 Å²	145.3	86%	0.864	79%	0.791	S	S	*	*			trans	51.7	120.6	143	-154.2	75.5	0	0	0	121.7
161	E	49.8	Very low	48.8	Very low	197 Å²	197	153.6 Å²	153.6	92%	0.921	82%	0.815	S	S	*	*			trans	-62.8	125.9	173	-62.9	-166.7	161.1	0	0	115.7
162	G	39	Very low	48.1	Very low	73 Å²	73	151.4 Å²	151.4	75%	0.753	81%	0.808	S	S	*	*			trans	113.9	164.2	137.3	0	0	0	0	0	118.7
163	P	44.1	Very low	47.9	Very low	136 Å²	136	151.3 Å²	151.3	88%	0.883	82%	0.817	S	S	*	*			cis	-112.5	156.9	-21.3	6.4	17.3	0	0	0	115
164	L	50	Low	48	Very low	171 Å²	171	154.1 Å²	154.1	90%	0.895	82%	0.824	S	S	*	*			trans	-54.3	122.8	-173.8	-55.6	168.4	0	0	0	115.3
165	G	42.9	Very low	48	Very low	72 Å²	72	151.2 Å²	151.2	74%	0.742	82%	0.821	S	S	*	*			trans	-105.7	129.5	162	0	0	0	0	0	110.1	D167	G165-D167 PolarHBondContact O-N 2.9Å
166	N	52.8	Low	47.9	Very low	159 Å²	159	152.1 Å²	152.1	85%	0.85	82%	0.821	S	S	*	*			trans	-75.1	81	-168.8	-57	-28.2	0	0	0	113.8
167	D	48.5	Very low	47.6	Very low	148 Å²	148	148.7 Å²	148.7	79%	0.791	81%	0.814	S	S	*	*			trans	-135.5	129.2	157	-91.6	-53.1	0	0	0	109.2	G165 V169	G165-D167 PolarHBondContact O-N 2.9Å; D167-V169 PolarHBondContact O-N 3.25Å
168	D	57.1	Low	48.4	Very low	152 Å²	152	144.8 Å²	144.8	81%	0.813	80%	0.799	S	S	*	*			trans	-58.4	89.2	-177.4	-179.1	20.7	0	0	0	111.2	E170	D168-E170 VanDerWaalsContact C-N 3.34Å
169	V	49.4	Very low	49.3	Very low	130 Å²	130	139.8 Å²	139.8	79%	0.788	79%	0.786	S	S	*	*			trans	-89.4	6.1	-178.2	134.8	0	0	0	0	112.6	D167 R171	D167-V169 PolarHBondContact O-N 3.25Å; V169-R171 PolarHBondContact O-N 3.01Å
170	E	59.7	Low	51.5	Low	174 Å²	174	134.7 Å²	134.7	81%	0.813	77%	0.765	S	S	*	*			trans	-79.9	33.6	-177.6	-76.9	-70.7	178.4	0	0	114.3	D168	D168-E170 VanDerWaalsContact C-N 3.34Å
171	R	56.8	Low	53.8	Low	225 Å²	225	129.9 Å²	129.9	85%	0.849	74%	0.739	S	S	*	*			trans	-112.8	69.9	162.8	-159.5	175.6	-64.4	-166.8	2.8	109	V169 S173	V169-R171 PolarHBondContact O-N 3.01Å; R171-S173 PolarHBondContact O-N 3.39Å
172	G	43	Very low	55.9	Low	53 Å²	53	121.1 Å²	121.1	55%	0.546	70%	0.701	S	S	.	*			trans	-43.5	127.9	156.7	0	0	0	0	0	108.4	K174	G172-K174 PolarHBondContact O-N 2.98Å
173	S	47	Very low	58.6	Low	126 Å²	126	122.5 Å²	122.5	88%	0.881	69%	0.688	S	S	*	*			trans	-54.1	94.3	173	-65.8	0	0	0	0	107.3	R171 S175	R171-S173 PolarHBondContact O-N 3.39Å; S173-S175 VanDerWaalsContact C-N 3.28Å; S173-S175 PolarHBondContact O-N 2.79Å
174	K	44.9	Very low	61	Low	184 Å²	184	116.9 Å²	116.9	80%	0.8	65%	0.65	S	S	*	*			trans	-58.1	103.6	171.2	-69.8	-176.5	179.8	-179	0	104.3	G172 Q176	G172-K174 PolarHBondContact O-N 2.98Å; K174-Q176 PolarHBondContact O-N 3.37Å
175	S	45.2	Very low	63.3	Low	106 Å²	106	110.3 Å²	110.3	74%	0.741	62%	0.616	S	S	*	*			trans	-36.6	115.8	160	173	0	0	0	0	105.1	S173 T177	S173-S175 VanDerWaalsContact C-N 3.28Å; S173-S175 PolarHBondContact O-N 2.79Å; S175-T177 PolarHBondContact O-N 2.86Å
176	Q	43.1	Very low	65.8	Low	162 Å²	162	109 Å²	109	76%	0.757	59%	0.594	S	S	*	*			trans	-54.9	91.8	-166.9	-166.6	169.2	4.3	0	0	107	K174 N178	K174-Q176 PolarHBondContact O-N 3.37Å; Q176-N178 PolarHBondContact O-N 2.85Å
177	T	47.8	Very low	68	Low	122 Å²	122	103.4 Å²	103.4	75%	0.748	57%	0.565	S	S	*	*			trans	-64.7	95.1	173.3	50.5	0	0	0	0	102.5	S175 S179	S175-T177 PolarHBondContact O-N 2.86Å; T177-S179 PolarHBondContact O-N 3.22Å
178	N	57.5	Low	70.3	Confident	100 Å²	100	103.6 Å²	103.6	54%	0.535	56%	0.556	S	S	.	*			trans	-48.8	106.2	-179.4	-74.5	-66.4	0	0	0	105.8	Q176 N180 L181	Q176-N178 PolarHBondContact O-N 2.85Å; N178-N180 PolarHBondContact O-N 2.83Å; N178-L181 HydrophobicContact CB-CB 4.05Å; N178-L181 WeakPolarHBondContact O-CB 3.26Å; N178-L181 PolarHBondContact O-N 3.47Å
179	S	70.1	Confident	72.3	Confident	98 Å²	98	103.9 Å²	103.9	69%	0.685	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-12.6	-174	54.4	0	0	0	0	112.1	T177	T177-S179 PolarHBondContact O-N 3.22Å
180	N	88.6	Confident	74.6	Confident	76 Å²	76	100.3 Å²	100.3	41%	0.406	52%	0.521	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-1.7	178.3	-55	-28.8	0	0	0	113.3	W135 N178	W135-N180 HydrophobicContact CB-CB 4.3Å; W135-N180 PolarHBondContact N-O 2.91Å; N178-N180 PolarHBondContact O-N 2.83Å
181	L	92.2	Very high	76.5	Confident	63 Å²	63	96.1 Å²	96.1	33%	0.33	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	124.1	-179.8	-164.2	77.3	0	0	0	110.6	Y132 F133 D134 N178 L210	Y132-L181 HydrophobicContact CD1-CD2 3.73Å; Y132-L181 HydrophobicContact CD1-CG 4.09Å; Y132-L181 HydrophobicContact CE1-CD2 4.47Å; Y132-L181 HydrophobicContact CG-CD2 4.01Å; Y132-L181 HydrophobicContact CG-CG 4.32Å; F133-L181 WeakPolarHBondContact O-CA 3.41Å; D134-L181 HydrophobicContact CB-CD1 4.04Å; N178-L181 HydrophobicContact CB-CB 4.05Å; N178-L181 WeakPolarHBondContact O-CB 3.26Å; N178-L181 PolarHBondContact O-N 3.47Å; L181-L210 HydrophobicContact CD1-CD1 3.54Å; L181-L210 HydrophobicContact CD1-CG 4.44Å
182	A	94.1	Very high	78.5	Confident	13 Å²	13	85.4 Å²	85.4	11%	0.107	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	138.5	175.8	0	0	0	0	0	110.8	L69 Y132 F133	L69-A182 HydrophobicContact CD1-CB 3.55Å; L69-A182 HydrophobicContact CG-CB 4.4Å; Y132-A182 CarbonylContact C-O 3.53Å; Y132-A182 VanDerWaalsContact CA-O 3.3Å; Y132-A182 WeakPolarHBondContact CA-O 3.15Å; F133-A182 PolarHBondContact N-O 2.7Å; F133-A182 PolarHBondContact O-N 2.78Å
183	E	94.8	Very high	81.1	Confident	103 Å²	103	85.4 Å²	85.4	48%	0.481	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	123.8	179.2	-173	172.5	91.7	0	0	110.5	L69 Y132 P186	L69-E183 WeakPolarHBondContact CD1-O 3.01Å; Y132-E183 HydrophobicContact CD1-CB 3.98Å; Y132-E183 HydrophobicContact CD1-CG 4.19Å; Y132-E183 HydrophobicContact CE1-CB 3.81Å; Y132-E183 HydrophobicContact CE1-CG 3.72Å; Y132-E183 WeakPolarHBondContact CE1-OE2 3.34Å; Y132-E183 PolarHBondContact OH-OE2 2.9Å; E183-P186 WeakPolarHBondContact OE1-CG 3.27Å
184	I	96.4	Very high	83.5	Confident	17 Å²	17	84.9 Å²	84.9	9%	0.087	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	-45.1	175.2	-70	173.4	0	0	0	110.2	L69 P72 I131 F133 H201 Y209	L69-I184 HydrophobicContact CD1-CG1 3.93Å; P72-I184 HydrophobicContact CB-CG2 3.93Å; P72-I184 HydrophobicContact CG-CG2 3.83Å; I131-I184 HydrophobicContact CB-CB 4.21Å; I131-I184 HydrophobicContact CB-CG2 4.38Å; I131-I184 HydrophobicContact CG2-CB 4.14Å; I131-I184 HydrophobicContact CG2-CD1 4.21Å; I131-I184 HydrophobicContact CG2-CG2 4.35Å; I131-I184 PolarHBondContact O-N 2.91Å; F133-I184 HydrophobicContact CB-CD1 3.71Å; F133-I184 HydrophobicContact CB-CG1 4.28Å; F133-I184 HydrophobicContact CD2-CD1 4.41Å; F133-I184 HydrophobicContact CG-CD1 4.41Å; I184-H201 VanDerWaalsContact CD1-CE1 3.49Å; I184-H201 WeakPolarHBondContact CD1-CE1 3.18Å; I184-H201 WeakPolarHBondContact CG2-CD2 3.01Å; I184-Y209 HydrophobicContact CD1-CD1 3.85Å; I184-Y209 HydrophobicContact CD1-CE1 3.47Å; I184-Y209 VanDerWaalsContact CD1-CE1 3.47Å
185	L	96.7	Very high	86.1	Confident	34 Å²	34	77.4 Å²	77.4	18%	0.178	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	116	179	-172.6	70.7	0	0	0	108.2	P72 F129 G130 I131	P72-L185 HydrophobicContact CG-CB 4.47Å; P72-L185 HydrophobicContact CG-CD1 4.27Å; F129-L185 HydrophobicContact CD1-CD2 3.82Å; F129-L185 HydrophobicContact CE1-CD2 3.76Å; G130-L185 CarbonylContact C-O 3.59Å; G130-L185 VanDerWaalsContact CA-O 3.25Å; G130-L185 WeakPolarHBondContact CA-O 3.08Å; I131-L185 HydrophobicContact CB-CB 3.98Å; I131-L185 HydrophobicContact CD1-CB 4.45Å; I131-L185 HydrophobicContact CD1-CD2 4.38Å; I131-L185 HydrophobicContact CG1-CB 4.08Å; I131-L185 HydrophobicContact CG1-CD2 4.32Å; I131-L185 PolarHBondContact N-O 2.88Å; I131-L185 PolarHBondContact O-N 2.65Å
186	P	96.9	Very high	88.6	Confident	43 Å²	43	72.5 Å²	72.5	28%	0.279	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	150.4	176.2	-10.9	20.6	0	0	0	110.6	E183 Y188	E183-P186 WeakPolarHBondContact OE1-CG 3.27Å; P186-Y188 HydrophobicContact CB-CD2 4.11Å; P186-Y188 HydrophobicContact CB-CE2 3.62Å; P186-Y188 HydrophobicContact CG-CE2 3.92Å; P186-Y188 PolarHBondContact O-N 3.06Å
187	V	97.6	Very high	91.3	Very high	42 Å²	42	65.7 Å²	65.7	26%	0.255	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	112.6	178.8	-178.4	0	0	0	0	109.8	F129 Y132 D214	F129-V187 WeakPolarHBondContact O-CA 3.35Å; Y132-V187 HydrophobicContact CE2-CG2 4.1Å; V187-D214 HydrophobicContact CG1-CB 3.81Å
188	Y	98.2	Very high	93.7	Very high	153 Å²	153	60 Å²	60	60%	0.6	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.2	151.9	172.1	-71.4	-66.6	0	0	0	111.3	G128 F129 P186 Q190	G128-Y188 WeakPolarHBondContact CA-O 3.2Å; F129-Y188 PolarHBondContact N-O 3.12Å; F129-Y188 PolarHBondContact O-N 3.21Å; F129-Y188 VanDerWaalsContact O-N 3.12Å; P186-Y188 HydrophobicContact CB-CD2 4.11Å; P186-Y188 HydrophobicContact CB-CE2 3.62Å; P186-Y188 HydrophobicContact CG-CE2 3.92Å; P186-Y188 PolarHBondContact O-N 3.06Å; Y188-Q190 PolarHBondContact O-N 3.25Å
189	R	98.5	Very high	95.6	Very high	157 Å²	157	55.3 Å²	55.3	59%	0.592	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.9	126.5	175.6	-67.2	175.2	64.8	-177	-1	109.9	D126 Y217	D126-R189 VanDerWaalsContact CG-NH2 3.34Å; D126-R189 IonicContact OD1-NH2 2.65Å; D126-R189 PolarHBondContact OD1-NH2 2.98Å; D126-R189 IonicContact OD2-CZ 3.07Å; D126-R189 IonicContact OD2-NE 2.64Å; D126-R189 PolarHBondContact OD2-NE 3.02Å; D126-R189 IonicContact OD2-NH2 3.08Å; D126-R189 PolarHBondContact OD2-NH2 2.96Å; R189-Y217 HydrophobicContact CG-CE1 4.13Å
190	Q	98.3	Very high	97	Very high	56 Å²	56	51.9 Å²	51.9	26%	0.262	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	130.7	179.3	-61.6	-62.3	-24.9	0	0	110	F120 D126 I127 F129 Y188 S192 Q197	F120-Q190 HydrophobicContact CZ-CB 4.4Å; F120-Q190 HydrophobicContact CZ-CG 4.38Å; D126-Q190 WeakPolarHBondContact CA-O 3.18Å; D126-Q190 WeakPolarHBondContact CB-O 3.4Å; I127-Q190 PolarHBondContact N-O 3.21Å; I127-Q190 PolarHBondContact O-N 3.17Å; F129-Q190 HydrophobicContact CB-CG 4.03Å; Y188-Q190 PolarHBondContact O-N 3.25Å; Q190-S192 PolarHBondContact O-N 2.85Å; Q190-S192 PolarHBondContact O-OG 3.43Å; Q190-Q197 HydrophobicContact CB-CG 4.07Å
191	D	98.4	Very high	97.4	Very high	86 Å²	86	48.3 Å²	48.3	46%	0.46	24%	0.238	S	C	.	.			trans	-72.3	52.3	174.7	-69.7	-43.3	0	0	0	112.3	H193 L194 S195	D191-H193 PolarHBondContact O-N 2.97Å; D191-H193 IonicContact OD1-CE1 2.63Å; D191-H193 PolarHBondContact OD1-CE1 3.34Å; D191-L194 HydrophobicContact CB-CB 4.44Å; D191-L194 HydrophobicContact CB-CD1 4.09Å; D191-L194 HydrophobicContact CB-CG 4.3Å; D191-L194 PolarHBondContact O-N 2.79Å; D191-S195 PolarHBondContact O-N 2.85Å
192	S	98.3	Very high	97.6	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-4.8	-177.8	56.5	0	0	0	0	114.1	A121 T122 Q190 S195	A121-S192 CarbonylContact C-O 3.51Å; A121-S192 VanDerWaalsContact CA-O 3.29Å; A121-S192 WeakPolarHBondContact CA-O 3.23Å; A121-S192 WeakPolarHBondContact CB-O 3.47Å; T122-S192 WeakPolarHBondContact CG2-OG 3.46Å; T122-S192 PolarHBondContact N-O 2.91Å; T122-S192 VanDerWaalsContact OG1-C 3.32Å; T122-S192 PolarHBondContact OG1-OG 3.26Å; Q190-S192 PolarHBondContact O-N 2.85Å; Q190-S192 PolarHBondContact O-OG 3.43Å; S192-S195 CarbonylContact C-O 3.55Å; S192-S195 VanDerWaalsContact CA-O 3.32Å; S192-S195 WeakPolarHBondContact CA-O 3.43Å
193	H	98.2	Very high	97.7	Very high	52 Å²	52	49.9 Å²	49.9	24%	0.241	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-20.6	169.9	64.9	-73.7	0	0	0	112.9	T122 G124 D126 D191	T122-H193 WeakPolarHBondContact O-CA 3.31Å; T122-H193 PolarHBondContact OG1-N 2.8Å; G124-H193 PolarHBondContact O-CD2 2.8Å; D126-H193 PolarHBondContact N-ND1 2.99Å; D126-H193 VanDerWaalsContact N-ND1 3.13Å; D191-H193 PolarHBondContact O-N 2.97Å; D191-H193 IonicContact OD1-CE1 2.63Å; D191-H193 PolarHBondContact OD1-CE1 3.34Å
194	L	98.4	Very high	97.6	Very high	116 Å²	116	46.3 Å²	46.3	61%	0.607	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.9	-36	-180	-56.8	-178.1	0	0	0	112.5	V80 D191	V80-L194 WeakPolarHBondContact CG2-O 3.48Å; D191-L194 HydrophobicContact CB-CB 4.44Å; D191-L194 HydrophobicContact CB-CD1 4.09Å; D191-L194 HydrophobicContact CB-CG 4.3Å; D191-L194 PolarHBondContact O-N 2.79Å
195	S	98.4	Very high	97.5	Very high	26 Å²	26	47 Å²	47	18%	0.182	24%	0.241	C	C	.	.	S	Bend	trans	-138.5	151.6	178.9	58.3	0	0	0	0	111.5	S77 V80 D191 S192 Q197	S77-S195 CarbonylContact O-C 3.56Å; S77-S195 WeakPolarHBondContact O-CA 3.23Å; S77-S195 WeakPolarHBondContact O-CB 3.42Å; V80-S195 VanDerWaalsContact CG2-C 3.5Å; V80-S195 VanDerWaalsContact CG2-CA 3.46Å; D191-S195 PolarHBondContact O-N 2.85Å; S192-S195 CarbonylContact C-O 3.55Å; S192-S195 VanDerWaalsContact CA-O 3.32Å; S192-S195 WeakPolarHBondContact CA-O 3.43Å; S195-Q197 PolarHBondContact O-N 3.04Å; S195-Q197 PolarHBondContact OG-NE2 3.46Å
196	V	98.8	Very high	97.4	Very high	4 Å²	4	51.1 Å²	51.1	2%	0.024	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	130.6	166.8	173.7	0	0	0	0	107.5	W75 T76 S77 V80 L83	W75-V196 HydrophobicContact CH2-CG1 4Å; W75-V196 HydrophobicContact CZ3-CB 4.48Å; W75-V196 HydrophobicContact CZ3-CG1 3.83Å; T76-V196 CarbonylContact C-O 3.52Å; T76-V196 WeakPolarHBondContact CA-O 3.39Å; S77-V196 PolarHBondContact N-O 2.9Å; S77-V196 PolarHBondContact O-N 2.93Å; V80-V196 HydrophobicContact CG2-CG2 4.11Å; L83-V196 HydrophobicContact CB-CG2 3.89Å; L83-V196 HydrophobicContact CD2-CB 4.22Å; L83-V196 HydrophobicContact CD2-CG1 3.63Å; L83-V196 HydrophobicContact CD2-CG2 3.68Å; L83-V196 HydrophobicContact CG-CG2 4.4Å
197	Q	98.8	Very high	97.3	Very high	18 Å²	18	49 Å²	49	8%	0.084	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	132.3	171.7	-59	-60.3	-37.2	0	0	108.1	E119 F120 Q190 S195	E119-Q197 CarbonylContact C-O 3.54Å; E119-Q197 VanDerWaalsContact CA-O 3.29Å; E119-Q197 WeakPolarHBondContact CA-O 3.35Å; F120-Q197 HydrophobicContact CD1-CB 3.81Å; F120-Q197 HydrophobicContact CD2-CB 4.14Å; F120-Q197 HydrophobicContact CD2-CG 4.45Å; F120-Q197 HydrophobicContact CE1-CB 3.35Å; F120-Q197 HydrophobicContact CE1-CG 4.29Å; F120-Q197 HydrophobicContact CE2-CB 3.72Å; F120-Q197 HydrophobicContact CE2-CG 3.81Å; F120-Q197 HydrophobicContact CG-CB 4.18Å; F120-Q197 HydrophobicContact CZ-CB 3.3Å; F120-Q197 HydrophobicContact CZ-CG 3.72Å; F120-Q197 PolarHBondContact N-O 3.41Å; F120-Q197 PolarHBondContact O-N 2.83Å; Q190-Q197 HydrophobicContact CB-CG 4.07Å; S195-Q197 PolarHBondContact O-N 3.04Å; S195-Q197 PolarHBondContact OG-NE2 3.46Å
198	G	98.3	Very high	97.2	Very high	2 Å²	2	48 Å²	48	2%	0.021	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	169.9	178.7	0	0	0	0	0	113.6	T74 W75 W118	T74-G198 CarbonylContact C-O 3.56Å; T74-G198 WeakPolarHBondContact CA-O 3.34Å; W75-G198 PolarHBondContact N-O 2.6Å; W75-G198 PolarHBondContact O-N 3.25Å; W75-G198 VanDerWaalsContact O-O 3.13Å; W118-G198 CarbonylContact O-C 3.48Å; W118-G198 WeakPolarHBondContact O-CA 3.49Å
199	G	98.2	Very high	97.2	Very high	3 Å²	3	40.7 Å²	40.7	3%	0.031	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176.5	-176.1	-179.2	0	0	0	0	0	114.2	T73 C117 W118	T73-G199 CarbonylContact O-C 3.5Å; T73-G199 WeakPolarHBondContact O-CA 3.43Å; C117-G199 VanDerWaalsContact CA-O 3.32Å; C117-G199 WeakPolarHBondContact CA-O 3.42Å; W118-G199 PolarHBondContact N-O 3.13Å; W118-G199 PolarHBondContact O-N 3.24Å
200	S	97.9	Very high	97.1	Very high	26 Å²	26	34.3 Å²	34.3	18%	0.182	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	152.9	176.5	60.9	0	0	0	0	111.9	T73 V116 W118	T73-S200 PolarHBondContact N-O 2.93Å; T73-S200 PolarHBondContact O-N 2.71Å; V116-S200 CarbonylContact O-C 3.58Å; V116-S200 WeakPolarHBondContact O-CA 3.48Å; W118-S200 VanDerWaalsContact CZ3-C 3.4Å; W118-S200 VanDerWaalsContact CZ3-CA 3.4Å
201	H	97.9	Very high	97.1	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	134.1	174.2	-175.7	-88.2	0	0	0	110.2	P70 P72 K115 V116 W118 I184 Y209	P70-H201 PolarHBondContact O-CD2 2.64Å; P70-H201 PolarHBondContact O-NE2 2.89Å; P72-H201 HydrophobicContact CB-CB 4.42Å; K115-H201 VanDerWaalsContact CA-O 3.26Å; K115-H201 WeakPolarHBondContact CA-O 3.4Å; V116-H201 HydrophobicContact CG1-CB 4.25Å; V116-H201 PolarHBondContact N-O 2.87Å; V116-H201 PolarHBondContact O-N 2.82Å; W118-H201 HydrophobicContact CH2-CB 4.32Å; W118-H201 HydrophobicContact CZ3-CB 4.04Å; I184-H201 VanDerWaalsContact CD1-CE1 3.49Å; I184-H201 WeakPolarHBondContact CD1-CE1 3.18Å; I184-H201 WeakPolarHBondContact CG2-CD2 3.01Å; H201-Y209 HydrophobicContact CB-CE1 4.08Å; H201-Y209 AromaticContact CG-CE1 3.97Å; H201-Y209 AromaticContact ND1-CE1 3.42Å; H201-Y209 WeakPolarHBondContact ND1-CE1 3.31Å; H201-Y209 AromaticContact ND1-CZ 3.54Å; H201-Y209 PolarHBondContact ND1-OH 2.9Å
202	D	96.6	Very high	97.1	Very high	67 Å²	67	30.2 Å²	30.2	36%	0.358	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	138.7	179	-68.3	-1.1	0	0	0	109.4	P70 K115 P204 Y209	P70-D202 HydrophobicContact CG-CB 4.32Å; K115-D202 WeakPolarHBondContact CD-OD1 2.94Å; K115-D202 WeakPolarHBondContact CE-OD1 3.12Å; K115-D202 WeakPolarHBondContact CG-OD1 3.32Å; K115-D202 VanDerWaalsContact NZ-CG 3.25Å; K115-D202 IonicContact NZ-OD1 2.69Å; K115-D202 PolarHBondContact NZ-OD1 2.72Å; K115-D202 IonicContact NZ-OD2 2.9Å; K115-D202 PolarHBondContact NZ-OD2 3.2Å; K115-D202 VanDerWaalsContact NZ-OD2 3.07Å; D202-P204 VanDerWaalsContact O-CD 3.25Å; D202-P204 WeakPolarHBondContact O-CD 3.38Å; D202-P204 VanDerWaalsContact O-N 3.11Å; D202-Y209 PolarHBondContact O-OH 2.69Å
203	F	95.2	Very high	97.1	Very high	42 Å²	42	30.3 Å²	30.3	18%	0.184	17%	0.166	C	C	.	.			trans	-59.5	117.6	-178.6	-66.2	-9.9	0	0	0	110.3	T109 V110 A113 K114 V116 G205 Y209 Y231	T109-F203 HydrophobicContact CG2-CB 4.47Å; T109-F203 HydrophobicContact CG2-CD1 4.01Å; T109-F203 HydrophobicContact CG2-CD2 4.17Å; T109-F203 HydrophobicContact CG2-CE1 4.19Å; T109-F203 HydrophobicContact CG2-CE2 4.38Å; T109-F203 HydrophobicContact CG2-CG 3.97Å; T109-F203 HydrophobicContact CG2-CZ 4.37Å; V110-F203 WeakPolarHBondContact O-CE2 3.49Å; A113-F203 VanDerWaalsContact C-CE2 3.47Å; A113-F203 HydrophobicContact CB-CE2 3.75Å; A113-F203 HydrophobicContact CB-CZ 3.93Å; A113-F203 WeakPolarHBondContact O-CD2 3.33Å; A113-F203 VanDerWaalsContact O-CE2 3.23Å; A113-F203 WeakPolarHBondContact O-CE2 3.5Å; K114-F203 VanDerWaalsContact O-CG 3.31Å; K114-F203 WeakPolarHBondContact O-CG 3.27Å; K114-F203 PolarHBondContact O-N 2.74Å; V116-F203 HydrophobicContact CB-CE1 4.14Å; F203-G205 PolarHBondContact O-N 3.47Å; F203-Y209 AromaticContact CD1-CE2 3.72Å; F203-Y209 HydrophobicContact CD1-CE2 3.72Å; F203-Y209 AromaticContact CE1-CE2 3.87Å; F203-Y209 HydrophobicContact CE1-CE2 3.87Å; F203-Y231 HydrophobicContact CE1-CD1 4.33Å; F203-Y231 AromaticContact CZ-CD1 3.67Å; F203-Y231 HydrophobicContact CZ-CD1 3.67Å; F203-Y231 AromaticContact CZ-CE1 3.92Å; F203-Y231 HydrophobicContact CZ-CE1 3.92Å
204	P	94.4	Very high	97.1	Very high	28 Å²	28	28.9 Å²	28.9	18%	0.182	16%	0.16	C	C	.	.			trans	-77.4	-16.7	177.7	34.9	-36.7	0	0	0	111.4	L69 F133 W135 D202 Y209	L69-P204 HydrophobicContact CD2-CB 3.57Å; L69-P204 HydrophobicContact CD2-CG 3.72Å; F133-P204 HydrophobicContact CD1-CG 3.94Å; F133-P204 HydrophobicContact CD2-CG 4.14Å; F133-P204 HydrophobicContact CE1-CG 3.83Å; F133-P204 HydrophobicContact CE2-CG 4.03Å; F133-P204 HydrophobicContact CG-CG 4.09Å; F133-P204 HydrophobicContact CZ-CG 3.86Å; W135-P204 HydrophobicContact CH2-CB 3.68Å; W135-P204 HydrophobicContact CH2-CG 3.86Å; W135-P204 HydrophobicContact CZ2-CB 4.2Å; W135-P204 HydrophobicContact CZ2-CG 4.24Å; W135-P204 HydrophobicContact CZ3-CG 4.47Å; D202-P204 VanDerWaalsContact O-CD 3.25Å; D202-P204 WeakPolarHBondContact O-CD 3.38Å; D202-P204 VanDerWaalsContact O-N 3.11Å; P204-Y209 WeakPolarHBondContact CD-OH 3.32Å
205	G	93.6	Very high	97.1	Very high	32 Å²	32	23.3 Å²	23.3	33%	0.33	13%	0.131	S	C	.	.	S	Bend	trans	167.8	-160.7	177.3	0	0	0	0	0	110.3	F203	F203-G205 PolarHBondContact O-N 3.47Å
206	E	94.1	Very high	97	Very high	119 Å²	119	24 Å²	24	56%	0.556	14%	0.135	S	C	*	.	S	Bend	trans	-76.5	133.7	171.5	-173.7	-178.6	165.3	0	0	110.6	T109 V138	T109-E206 WeakPolarHBondContact OG1-CA 3.43Å; V138-E206 HydrophobicContact CB-CG 4.4Å; V138-E206 HydrophobicContact CG2-CG 3.97Å; V138-E206 PolarHBondContact N-OE1 3.13Å
207	G	94.8	Very high	96.8	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.149	C	C	.	.	S	Bend	trans	166.9	-162.3	177.5	0	0	0	0	0	112.2	T109 F133 D134 V138	T109-G207 PolarHBondContact N-O 2.83Å; T109-G207 PolarHBondContact OG1-N 3.13Å; T109-G207 PolarHBondContact OG1-O 2.94Å; T109-G207 VanDerWaalsContact OG1-O 3.07Å; F133-G207 VanDerWaalsContact CZ-CA 3.45Å; D134-G207 CarbonylContact O-C 3.47Å; D134-G207 WeakPolarHBondContact O-CA 3.33Å; V138-G207 WeakPolarHBondContact CG2-O 3.47Å
208	T	96	Very high	96.6	Very high	20 Å²	20	27.3 Å²	27.3	12%	0.123	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	124.5	-177.9	-58.2	0	0	0	0	110.9	H106 P108 D134 L210	H106-T208 HydrophobicContact CB-CG2 3.96Å; P108-T208 HydrophobicContact CG-CG2 4.47Å; D134-T208 PolarHBondContact N-O 3.48Å; D134-T208 PolarHBondContact O-N 2.88Å; T208-L210 HydrophobicContact CG2-CD2 4.35Å
209	Y	97.2	Very high	96.3	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	141	169.9	-70	-98.9	0	0	0	110.7	H106 V107 T109 V116 I131 Y132 F133 I184 H201 D202 F203 P204	H106-Y209 CarbonylContact C-O 3.56Å; H106-Y209 WeakPolarHBondContact CA-O 3.33Å; V107-Y209 PolarHBondContact N-O 2.97Å; V107-Y209 PolarHBondContact O-N 2.63Å; T109-Y209 HydrophobicContact CG2-CD2 4.3Å; T109-Y209 HydrophobicContact CG2-CE2 3.87Å; V116-Y209 HydrophobicContact CB-CD2 4.4Å; V116-Y209 HydrophobicContact CB-CE2 4.29Å; V116-Y209 HydrophobicContact CG1-CD1 3.76Å; V116-Y209 HydrophobicContact CG1-CD2 4.01Å; V116-Y209 HydrophobicContact CG1-CE1 3.51Å; V116-Y209 HydrophobicContact CG1-CE2 3.8Å; V116-Y209 HydrophobicContact CG1-CG 4Å; I131-Y209 HydrophobicContact CG2-CD1 3.86Å; Y132-Y209 CarbonylContact O-C 3.58Å; Y132-Y209 WeakPolarHBondContact O-CA 3.39Å; F133-Y209 AromaticContact CD2-CD1 3.99Å; F133-Y209 HydrophobicContact CD2-CD1 3.99Å; F133-Y209 AromaticContact CD2-CD2 3.84Å; F133-Y209 HydrophobicContact CD2-CD2 3.84Å; F133-Y209 AromaticContact CD2-CE1 3.99Å; F133-Y209 HydrophobicContact CD2-CE1 3.99Å; F133-Y209 AromaticContact CD2-CE2 3.81Å; F133-Y209 HydrophobicContact CD2-CE2 3.81Å; F133-Y209 AromaticContact CD2-CG 3.92Å; F133-Y209 HydrophobicContact CD2-CG 3.92Å; F133-Y209 AromaticContact CD2-CZ 3.87Å; F133-Y209 AromaticContact CE2-CD2 3.75Å; F133-Y209 HydrophobicContact CE2-CD2 3.75Å; F133-Y209 HydrophobicContact CE2-CE1 4.5Å; F133-Y209 AromaticContact CE2-CE2 3.52Å; F133-Y209 HydrophobicContact CE2-CE2 3.52Å; F133-Y209 HydrophobicContact CE2-CG 4.31Å; F133-Y209 AromaticContact CE2-CZ 3.93Å; I184-Y209 HydrophobicContact CD1-CD1 3.85Å; I184-Y209 HydrophobicContact CD1-CE1 3.47Å; I184-Y209 VanDerWaalsContact CD1-CE1 3.47Å; H201-Y209 HydrophobicContact CB-CE1 4.08Å; H201-Y209 AromaticContact CG-CE1 3.97Å; H201-Y209 AromaticContact ND1-CE1 3.42Å; H201-Y209 WeakPolarHBondContact ND1-CE1 3.31Å; H201-Y209 AromaticContact ND1-CZ 3.54Å; H201-Y209 PolarHBondContact ND1-OH 2.9Å; D202-Y209 PolarHBondContact O-OH 2.69Å; F203-Y209 AromaticContact CD1-CE2 3.72Å; F203-Y209 HydrophobicContact CD1-CE2 3.72Å; F203-Y209 AromaticContact CE1-CE2 3.87Å; F203-Y209 HydrophobicContact CE1-CE2 3.87Å; P204-Y209 WeakPolarHBondContact CD-OH 3.32Å
210	L	97.3	Very high	96.1	Very high	23 Å²	23	42.6 Å²	42.6	12%	0.12	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	98.3	171.9	-51.9	-177.9	0	0	0	108.7	T104 H106 I131 Y132 L181 T208	T104-L210 HydrophobicContact CG2-CB 3.86Å; T104-L210 HydrophobicContact CG2-CD2 4.25Å; H106-L210 HydrophobicContact CB-CD2 4.45Å; H106-L210 WeakPolarHBondContact CE1-CD2 3.46Å; H106-L210 WeakPolarHBondContact ND1-CD2 2.91Å; I131-L210 WeakPolarHBondContact CA-O 3.47Å; Y132-L210 PolarHBondContact N-O 2.99Å; Y132-L210 PolarHBondContact O-N 3.27Å; L181-L210 HydrophobicContact CD1-CD1 3.54Å; L181-L210 HydrophobicContact CD1-CG 4.44Å; T208-L210 HydrophobicContact CG2-CD2 4.35Å
211	L	98.4	Very high	96.1	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	111.3	174.7	-72.8	75	0	0	0	108	T104 V105 V107 W118 F129 I131 V229	T104-L211 CarbonylContact C-O 3.57Å; T104-L211 WeakPolarHBondContact CA-O 3.36Å; V105-L211 HydrophobicContact CB-CB 4.29Å; V105-L211 PolarHBondContact N-O 3.1Å; V105-L211 PolarHBondContact O-N 3.31Å; V107-L211 HydrophobicContact CG2-CD1 4.04Å; W118-L211 HydrophobicContact CB-CD2 3.73Å; W118-L211 HydrophobicContact CG-CD2 4.15Å; F129-L211 HydrophobicContact CE2-CB 4.27Å; F129-L211 HydrophobicContact CE2-CD2 4.33Å; F129-L211 HydrophobicContact CZ-CD2 4.25Å; I131-L211 HydrophobicContact CG1-CG 4.31Å; L211-V229 HydrophobicContact CD2-CG1 4.31Å; L211-V229 HydrophobicContact CD2-CG2 3.81Å
212	K	98.1	Very high	96	Very high	55 Å²	55	51.2 Å²	51.2	24%	0.239	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	123.2	-176.1	-57.8	-169.1	80.8	-174.7	0	110.2	I102 T104 F129 G130 Y132	I102-K212 HydrophobicContact CG2-CB 4.38Å; T104-K212 HydrophobicContact CG2-CG 4.2Å; F129-K212 VanDerWaalsContact CA-O 3.32Å; F129-K212 WeakPolarHBondContact CA-O 3.38Å; G130-K212 PolarHBondContact N-O 3.01Å; G130-K212 VanDerWaalsContact N-O 3.13Å; G130-K212 PolarHBondContact O-N 3.01Å; Y132-K212 HydrophobicContact CD2-CD 3.74Å; Y132-K212 HydrophobicContact CD2-CG 4.19Å; Y132-K212 HydrophobicContact CE2-CD 3.63Å; Y132-K212 HydrophobicContact CE2-CG 4.38Å
213	F	98.4	Very high	96.1	Very high	2 Å²	2	48.1 Å²	48.1	1%	0.009	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	100.5	168.3	-64.2	-80.1	0	0	0	107.9	M103 V105 F120 I127 G128 F129 L225 Y227	M103-F213 HydrophobicContact CB-CB 4.24Å; M103-F213 HydrophobicContact CG-CD2 4.49Å; M103-F213 PolarHBondContact N-O 2.83Å; M103-F213 PolarHBondContact O-N 2.65Å; V105-F213 HydrophobicContact CG2-CD2 4.3Å; V105-F213 HydrophobicContact CG2-CE2 3.92Å; F120-F213 HydrophobicContact CB-CE1 3.93Å; F120-F213 HydrophobicContact CB-CZ 4.31Å; F120-F213 AromaticContact CD1-CE1 3.88Å; F120-F213 HydrophobicContact CD1-CE1 3.88Å; F120-F213 HydrophobicContact CD1-CZ 4.39Å; F120-F213 HydrophobicContact CD2-CD1 4.44Å; F120-F213 AromaticContact CD2-CE1 3.84Å; F120-F213 HydrophobicContact CD2-CE1 3.84Å; F120-F213 HydrophobicContact CE1-CE1 4.3Å; F120-F213 HydrophobicContact CE2-CE1 4.26Å; F120-F213 AromaticContact CG-CE1 3.63Å; F120-F213 HydrophobicContact CG-CE1 3.63Å; F120-F213 HydrophobicContact CG-CZ 4.33Å; F120-F213 HydrophobicContact CZ-CE1 4.47Å; I127-F213 HydrophobicContact CD1-CB 3.93Å; G128-F213 CarbonylContact O-C 3.4Å; G128-F213 WeakPolarHBondContact O-CA 3.36Å; F129-F213 AromaticContact CD2-CD1 3.86Å; F129-F213 HydrophobicContact CD2-CD1 3.86Å; F129-F213 AromaticContact CD2-CE1 3.57Å; F129-F213 HydrophobicContact CD2-CE1 3.57Å; F129-F213 HydrophobicContact CD2-CZ 4.08Å; F129-F213 HydrophobicContact CE2-CD1 4.45Å; F129-F213 AromaticContact CE2-CE1 3.82Å; F129-F213 HydrophobicContact CE2-CE1 3.82Å; F129-F213 HydrophobicContact CE2-CE2 4.49Å; F129-F213 AromaticContact CE2-CZ 3.85Å; F129-F213 HydrophobicContact CE2-CZ 3.85Å; F213-L225 HydrophobicContact CB-CD2 3.95Å; F213-L225 HydrophobicContact CD1-CD1 3.75Å; F213-L225 HydrophobicContact CD1-CD2 3.56Å; F213-L225 HydrophobicContact CD1-CG 4.32Å; F213-L225 HydrophobicContact CD2-CD2 3.65Å; F213-L225 HydrophobicContact CE1-CD1 3.79Å; F213-L225 HydrophobicContact CE1-CD2 3.9Å; F213-L225 HydrophobicContact CE1-CG 4.44Å; F213-L225 HydrophobicContact CE2-CD2 3.97Å; F213-L225 HydrophobicContact CG-CD1 4.47Å; F213-L225 HydrophobicContact CG-CD2 3.42Å; F213-L225 VanDerWaalsContact CG-CD2 3.42Å; F213-L225 HydrophobicContact CZ-CD2 4.08Å; F213-Y227 HydrophobicContact CE2-CD2 4.33Å; F213-Y227 HydrophobicContact CZ-CD2 4.5Å; F213-Y227 HydrophobicContact CZ-CG 4.49Å
214	D	98.1	Very high	96.3	Very high	22 Å²	22	48.4 Å²	48.4	12%	0.118	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	116.8	-168.4	-168.1	-27.2	0	0	0	110.8	I127 G128 V187 S216 Y217	I127-D214 WeakPolarHBondContact CG1-O 3.3Å; G128-D214 WeakPolarHBondContact CA-O 3.37Å; G128-D214 PolarHBondContact N-O 3.17Å; G128-D214 PolarHBondContact O-N 2.84Å; V187-D214 HydrophobicContact CG1-CB 3.81Å; D214-S216 VanDerWaalsContact OD1-CB 3.22Å; D214-S216 WeakPolarHBondContact OD1-CB 3.11Å; D214-S216 PolarHBondContact OD1-N 2.91Å; D214-S216 PolarHBondContact OD1-OG 2.69Å; D214-Y217 VanDerWaalsContact O-CE1 3.31Å; D214-Y217 WeakPolarHBondContact O-CE1 3.11Å
215	N	97.9	Very high	96.5	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.228	C	C	.	.			trans	-121.1	18.1	173.3	-163.3	44.1	0	0	0	112.1	V97 Y98 R99 G100 D101 Y217 S218 R221 K223	V97-N215 HydrophobicContact CB-CB 4.37Å; V97-N215 HydrophobicContact CG1-CB 3.65Å; V97-N215 PolarHBondContact O-ND2 3.04Å; Y98-N215 PolarHBondContact O-ND2 3.21Å; R99-N215 WeakPolarHBondContact CA-ND2 3.33Å; R99-N215 PolarHBondContact N-ND2 2.88Å; G100-N215 PolarHBondContact N-O 3.32Å; G100-N215 VanDerWaalsContact N-O 3.12Å; D101-N215 CarbonylContact O-C 3.53Å; D101-N215 VanDerWaalsContact O-C 3.31Å; D101-N215 VanDerWaalsContact O-CA 3.3Å; D101-N215 WeakPolarHBondContact O-CA 3.48Å; D101-N215 WeakPolarHBondContact O-CB 3.5Å; D101-N215 PolarHBondContact O-N 3.02Å; N215-Y217 VanDerWaalsContact C-N 3.26Å; N215-Y217 PolarHBondContact O-N 3.01Å; N215-S218 PolarHBondContact O-N 3.45Å; N215-S218 VanDerWaalsContact O-N 3.11Å; N215-S218 VanDerWaalsContact OD1-CB 3.23Å; N215-S218 WeakPolarHBondContact OD1-CB 3.32Å; N215-S218 PolarHBondContact OD1-OG 3.5Å; N215-R221 PolarHBondContact ND2-O 2.87Å; N215-K223 HydrophobicContact CB-CG 4.47Å; N215-K223 WeakPolarHBondContact OD1-CE 3.13Å; N215-K223 WeakPolarHBondContact OD1-CG 3.4Å; N215-K223 PolarHBondContact OD1-NZ 3.34Å
216	S	96.6	Very high	96.7	Very high	39 Å²	39	46 Å²	46	27%	0.273	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-41	-179.6	59.5	0	0	0	0	112	D101 D214 S218	D101-S216 PolarHBondContact O-N 2.74Å; D214-S216 VanDerWaalsContact OD1-CB 3.22Å; D214-S216 WeakPolarHBondContact OD1-CB 3.11Å; D214-S216 PolarHBondContact OD1-N 2.91Å; D214-S216 PolarHBondContact OD1-OG 2.69Å; S216-S218 PolarHBondContact O-N 2.7Å; S216-S218 VanDerWaalsContact O-N 3.13Å
217	Y	95.5	Very high	96.9	Very high	78 Å²	78	40.6 Å²	40.6	31%	0.306	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-11.2	-179.4	66.4	-95.5	0	0	0	114.9	D126 I127 R189 D214 N215	D126-Y217 PolarHBondContact O-OH 3.35Å; I127-Y217 WeakPolarHBondContact CA-OH 3.22Å; R189-Y217 HydrophobicContact CG-CE1 4.13Å; D214-Y217 VanDerWaalsContact O-CE1 3.31Å; D214-Y217 WeakPolarHBondContact O-CE1 3.11Å; N215-Y217 VanDerWaalsContact C-N 3.26Å; N215-Y217 PolarHBondContact O-N 3.01Å
218	S	94.3	Very high	96.9	Very high	15 Å²	15	42.9 Å²	42.9	11%	0.105	20%	0.198	C	C	.	.			trans	-86.1	119.6	-177.3	-76.5	0	0	0	0	111.2	R99 G100 N215 S216 R221 K223	R99-S218 WeakPolarHBondContact CB-O 3.29Å; G100-S218 PolarHBondContact N-O 2.94Å; N215-S218 PolarHBondContact O-N 3.45Å; N215-S218 VanDerWaalsContact O-N 3.11Å; N215-S218 VanDerWaalsContact OD1-CB 3.23Å; N215-S218 WeakPolarHBondContact OD1-CB 3.32Å; N215-S218 PolarHBondContact OD1-OG 3.5Å; S216-S218 PolarHBondContact O-N 2.7Å; S216-S218 VanDerWaalsContact O-N 3.13Å; S218-R221 WeakPolarHBondContact CB-O 3.29Å; S218-K223 PolarHBondContact OG-NZ 3.48Å
219	L	92.1	Very high	96.9	Very high	124 Å²	124	42.5 Å²	42.5	65%	0.649	20%	0.195	S	C	*	.	S	Bend	trans	-83.1	-28.8	176.7	-60.4	175	0	0	0	113.6	R99	R99-L219 WeakPolarHBondContact CD-O 3.48Å; R99-L219 PolarHBondContact NH1-O 3.18Å
220	W	94.1	Very high	96.6	Very high	201 Å²	201	46.4 Å²	46.4	76%	0.761	21%	0.211	S	C	*	.	S	Bend	trans	-131.5	-5.9	-167.9	-48.4	109.4	0	0	0	114.7
221	R	96.7	Very high	96.4	Very high	133 Å²	133	47 Å²	47	50%	0.502	21%	0.211	S	C	.	.			trans	-125.9	115	-165.4	-59.7	-61	-175.1	133	4.5	111.5	N215 S218 K223	N215-R221 PolarHBondContact ND2-O 2.87Å; S218-R221 WeakPolarHBondContact CB-O 3.29Å; R221-K223 PolarHBondContact O-NZ 3.18Å
222	N	97.6	Very high	96	Very high	76 Å²	76	49.4 Å²	49.4	41%	0.406	23%	0.228	S	C	.	.			trans	-76	156.2	164.1	-52.6	-8.8	0	0	0	109.2	T96 V97 Y98 R99	T96-N222 HydrophobicContact CG2-CB 3.99Å; V97-N222 WeakPolarHBondContact O-CA 3.49Å; Y98-N222 VanDerWaalsContact CD1-ND2 3.27Å; Y98-N222 WeakPolarHBondContact CD1-ND2 3.4Å; R99-N222 PolarHBondContact N-OD1 2.99Å
223	K	98.2	Very high	95.2	Very high	2 Å²	2	51.1 Å²	51.1	1%	0.009	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	123.5	177.7	-54.6	-62.5	-177.4	-64	0	109.7	T96 V97 F125 D126 I127 N215 S218 R221 L225	T96-K223 CarbonylContact C-O 3.59Å; T96-K223 WeakPolarHBondContact CA-O 3.25Å; V97-K223 PolarHBondContact N-O 2.81Å; V97-K223 PolarHBondContact O-N 3.01Å; F125-K223 HydrophobicContact CB-CD 3.9Å; D126-K223 WeakPolarHBondContact O-CD 3.49Å; D126-K223 WeakPolarHBondContact O-CE 3.17Å; I127-K223 HydrophobicContact CD1-CB 4.1Å; I127-K223 HydrophobicContact CD1-CG 4.18Å; I127-K223 HydrophobicContact CG1-CG 4.43Å; N215-K223 HydrophobicContact CB-CG 4.47Å; N215-K223 WeakPolarHBondContact OD1-CE 3.13Å; N215-K223 WeakPolarHBondContact OD1-CG 3.4Å; N215-K223 PolarHBondContact OD1-NZ 3.34Å; S218-K223 PolarHBondContact OG-NZ 3.48Å; R221-K223 PolarHBondContact O-NZ 3.18Å; K223-L225 PolarHBondContact O-N 3.38Å
224	T	98.4	Very high	95	Very high	47 Å²	47	53.6 Å²	53.6	29%	0.288	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	105.2	164.1	-52.3	0	0	0	0	107.8	V94 T122 D123 Y226	V94-T224 HydrophobicContact CG1-CG2 3.86Å; T122-T224 CarbonylContact C-O 3.58Å; T122-T224 VanDerWaalsContact CA-O 3.27Å; T122-T224 WeakPolarHBondContact CA-O 3.26Å; D123-T224 PolarHBondContact N-O 2.9Å; T224-Y226 HydrophobicContact CG2-CD2 4.48Å; T224-Y226 HydrophobicContact CG2-CE2 3.7Å
225	L	98.6	Very high	94.9	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	127.4	179.5	177.2	67	0	0	0	109.8	V94 V95 V97 M103 F120 T122 F213 K223 Y227	V94-L225 WeakPolarHBondContact CA-O 3.28Å; V95-L225 PolarHBondContact N-O 3.01Å; V95-L225 PolarHBondContact O-N 3.35Å; V97-L225 HydrophobicContact CG2-CB 4.23Å; V97-L225 HydrophobicContact CG2-CD2 4.18Å; M103-L225 HydrophobicContact CE-CD2 4.3Å; M103-L225 HydrophobicContact SD-CD2 4Å; F120-L225 HydrophobicContact CB-CD1 4.03Å; F120-L225 HydrophobicContact CD2-CD1 4.11Å; F120-L225 HydrophobicContact CG-CD1 4.46Å; T122-L225 HydrophobicContact CG2-CD1 3.95Å; F213-L225 HydrophobicContact CB-CD2 3.95Å; F213-L225 HydrophobicContact CD1-CD1 3.75Å; F213-L225 HydrophobicContact CD1-CD2 3.56Å; F213-L225 HydrophobicContact CD1-CG 4.32Å; F213-L225 HydrophobicContact CD2-CD2 3.65Å; F213-L225 HydrophobicContact CE1-CD1 3.79Å; F213-L225 HydrophobicContact CE1-CD2 3.9Å; F213-L225 HydrophobicContact CE1-CG 4.44Å; F213-L225 HydrophobicContact CE2-CD2 3.97Å; F213-L225 HydrophobicContact CG-CD1 4.47Å; F213-L225 HydrophobicContact CG-CD2 3.42Å; F213-L225 VanDerWaalsContact CG-CD2 3.42Å; F213-L225 HydrophobicContact CZ-CD2 4.08Å; K223-L225 PolarHBondContact O-N 3.38Å; L225-Y227 HydrophobicContact CD2-CD1 4.21Å; L225-Y227 HydrophobicContact CD2-CG 4.4Å; L225-Y227 HydrophobicContact CG-CD1 4.31Å
226	Y	98.4	Very high	94.7	Very high	10 Å²	10	58.3 Å²	58.3	4%	0.039	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	118.4	168.2	-55.6	-104.2	0	0	0	106.2	K84 L87 R88 S93 V94 F120 A121 D123 T224	K84-Y226 HydrophobicContact CB-CD1 4.02Å; K84-Y226 HydrophobicContact CB-CE1 4.1Å; K84-Y226 HydrophobicContact CB-CG 4.31Å; K84-Y226 HydrophobicContact CD-CD2 4.03Å; K84-Y226 HydrophobicContact CD-CE2 3.9Å; K84-Y226 HydrophobicContact CG-CD1 3.99Å; K84-Y226 HydrophobicContact CG-CD2 3.77Å; K84-Y226 HydrophobicContact CG-CE1 4.25Å; K84-Y226 HydrophobicContact CG-CE2 4.04Å; K84-Y226 HydrophobicContact CG-CG 3.76Å; L87-Y226 HydrophobicContact CB-CD1 4.42Å; R88-Y226 HydrophobicContact CG-CD1 4.36Å; R88-Y226 HydrophobicContact CG-CE1 3.77Å; R88-Y226 PolarHBondContact NH2-OH 3.03Å; S93-Y226 CarbonylContact O-C 3.49Å; S93-Y226 WeakPolarHBondContact O-CA 3.38Å; V94-Y226 HydrophobicContact CB-CD1 4.47Å; V94-Y226 HydrophobicContact CG1-CD1 4.13Å; V94-Y226 HydrophobicContact CG1-CE1 3.97Å; V94-Y226 HydrophobicContact CG2-CD1 3.59Å; V94-Y226 HydrophobicContact CG2-CE1 3.92Å; V94-Y226 HydrophobicContact CG2-CG 4.45Å; F120-Y226 CarbonylContact C-O 3.31Å; F120-Y226 WeakPolarHBondContact CA-O 3.38Å; F120-Y226 WeakPolarHBondContact CB-O 3.3Å; A121-Y226 PolarHBondContact N-O 3.43Å; A121-Y226 PolarHBondContact O-N 2.96Å; D123-Y226 VanDerWaalsContact OD2-CE2 3.26Å; D123-Y226 WeakPolarHBondContact OD2-CE2 3.34Å; D123-Y226 PolarHBondContact OD2-OH 3.27Å; T224-Y226 HydrophobicContact CG2-CD2 4.48Å; T224-Y226 HydrophobicContact CG2-CE2 3.7Å
227	Y	98	Very high	94.6	Very high	6 Å²	6	59.4 Å²	59.4	2%	0.024	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	155.2	-177.7	80.4	-70.2	0	0	0	112.3	D92 S93 V95 M103 V105 E119 V145 F213 L225 V229	D92-Y227 PolarHBondContact O-OH 2.78Å; S93-Y227 WeakPolarHBondContact CA-O 3.32Å; S93-Y227 VanDerWaalsContact CB-O 3.31Å; S93-Y227 WeakPolarHBondContact CB-O 3.44Å; S93-Y227 PolarHBondContact O-N 3.18Å; V95-Y227 HydrophobicContact CG2-CE1 3.94Å; M103-Y227 HydrophobicContact CE-CD1 4.15Å; M103-Y227 HydrophobicContact CE-CE1 3.53Å; M103-Y227 HydrophobicContact CE-CE2 4.15Å; V105-Y227 HydrophobicContact CG1-CE2 4.42Å; V105-Y227 HydrophobicContact CG2-CD2 4.33Å; V105-Y227 HydrophobicContact CG2-CE2 3.76Å; E119-Y227 CarbonylContact O-C 3.58Å; E119-Y227 VanDerWaalsContact O-CA 3.3Å; E119-Y227 WeakPolarHBondContact O-CA 3.29Å; V145-Y227 WeakPolarHBondContact CG2-OH 3.31Å; F213-Y227 HydrophobicContact CE2-CD2 4.33Å; F213-Y227 HydrophobicContact CZ-CD2 4.5Å; F213-Y227 HydrophobicContact CZ-CG 4.49Å; L225-Y227 HydrophobicContact CD2-CD1 4.21Å; L225-Y227 HydrophobicContact CD2-CG 4.4Å; L225-Y227 HydrophobicContact CG-CD1 4.31Å; Y227-V229 HydrophobicContact CD2-CG2 4.08Å; Y227-V229 HydrophobicContact CE2-CG2 4.37Å
228	R	95.4	Very high	94.5	Very high	47 Å²	47	58.3 Å²	58.3	18%	0.177	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	147.3	161.2	63.4	169.5	176.8	-127.8	0.2	110.2	L87 W118 E119 Y230	L87-R228 HydrophobicContact CD2-CB 3.93Å; L87-R228 HydrophobicContact CD2-CG 4.15Å; W118-R228 WeakPolarHBondContact CA-O 3.45Å; E119-R228 HydrophobicContact CB-CG 4.08Å; E119-R228 PolarHBondContact N-O 3.3Å; E119-R228 PolarHBondContact O-N 3.26Å; E119-R228 IonicContact OE1-CZ 2.72Å; E119-R228 IonicContact OE1-NH2 3.03Å; E119-R228 PolarHBondContact OE1-NH2 3.32Å; E119-R228 IonicContact OE2-CZ 3.89Å; E119-R228 IonicContact OE2-NE 3.73Å; E119-R228 PolarHBondContact OE2-NE 2.98Å; E119-R228 IonicContact OE2-NH2 3.2Å; E119-R228 PolarHBondContact OE2-NH2 3.29Å; R228-Y230 HydrophobicContact CG-CD1 4.16Å; R228-Y230 HydrophobicContact CG-CE1 4.19Å
229	V	94.9	Very high	94.6	Very high	13 Å²	13	61.1 Å²	61.1	8%	0.079	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	134	172	-171.1	0	0	0	0	108.1	V105 V107 V116 C117 W118 L211 Y227	V105-V229 HydrophobicContact CG1-CG2 4.49Å; V107-V229 HydrophobicContact CG1-CG1 4.3Å; V107-V229 HydrophobicContact CG2-CB 4.48Å; V107-V229 HydrophobicContact CG2-CG1 3.81Å; V116-V229 HydrophobicContact CG2-CG1 3.52Å; C117-V229 WeakPolarHBondContact O-CA 3.47Å; C117-V229 WeakPolarHBondContact O-CG1 3.49Å; W118-V229 HydrophobicContact CB-CG2 4.44Å; L211-V229 HydrophobicContact CD2-CG1 4.31Å; L211-V229 HydrophobicContact CD2-CG2 3.81Å; Y227-V229 HydrophobicContact CD2-CG2 4.08Å; Y227-V229 HydrophobicContact CE2-CG2 4.37Å
230	Y	92.8	Very high	94.7	Very high	81 Å²	81	56.6 Å²	56.6	32%	0.318	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	160.6	-175	58.7	-85.9	0	0	0	111.1	C117 E119 R228	C117-Y230 HydrophobicContact CB-CD1 4.31Å; C117-Y230 HydrophobicContact CB-CD2 3.84Å; C117-Y230 HydrophobicContact CB-CE1 3.89Å; C117-Y230 HydrophobicContact CB-CE2 3.37Å; C117-Y230 HydrophobicContact CB-CG 4.29Å; C117-Y230 PolarHBondContact N-O 3.36Å; C117-Y230 PolarHBondContact O-N 3.49Å; E119-Y230 WeakPolarHBondContact OE2-CE1 3.46Å; E119-Y230 PolarHBondContact OE2-OH 3.03Å; R228-Y230 HydrophobicContact CG-CD1 4.16Å; R228-Y230 HydrophobicContact CG-CE1 4.19Å
231	Y	92.8	Very high	94.8	Very high	35 Å²	35	45.5 Å²	45.5	14%	0.137	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	150.2	177.6	-59.6	-63.6	0	0	0	112	Q6 V107 P108 V110 A113 K115 I143 F203	Q6-Y231 HydrophobicContact CB-CD2 4.47Å; Q6-Y231 HydrophobicContact CB-CE2 4.47Å; V107-Y231 HydrophobicContact CG1-CE1 3.72Å; P108-Y231 WeakPolarHBondContact O-CE1 3.32Å; P108-Y231 PolarHBondContact O-OH 2.86Å; V110-Y231 HydrophobicContact CG1-CE2 4.37Å; V110-Y231 HydrophobicContact CG2-CD1 4.38Å; V110-Y231 HydrophobicContact CG2-CD2 4.11Å; V110-Y231 HydrophobicContact CG2-CE1 4.29Å; V110-Y231 HydrophobicContact CG2-CE2 4.07Å; V110-Y231 HydrophobicContact CG2-CG 4.28Å; A113-Y231 HydrophobicContact CB-CD1 4.19Å; A113-Y231 HydrophobicContact CB-CG 4.01Å; K115-Y231 WeakPolarHBondContact O-CA 3.42Å; I143-Y231 HydrophobicContact CD1-CE2 4.34Å; F203-Y231 HydrophobicContact CE1-CD1 4.33Å; F203-Y231 AromaticContact CZ-CD1 3.67Å; F203-Y231 HydrophobicContact CZ-CD1 3.67Å; F203-Y231 AromaticContact CZ-CE1 3.92Å; F203-Y231 HydrophobicContact CZ-CE1 3.92Å
232	S	88.9	Confident	94.6	Very high	51 Å²	51	38.3 Å²	38.3	36%	0.357	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	156.7	169.2	-178.7	0	0	0	0	111.2	K114 K115	K114-S232 PolarHBondContact N-O 3.01Å; K115-S232 PolarHBondContact N-O 2.82Å; K115-S232 PolarHBondContact O-N 3.19Å
233	A	81.6	Confident	94.4	Very high	91 Å²	91	34.8 Å²	34.8	75%	0.752	20%	0.198	S	C	*	.			trans	-75.7	0	169.3	0	0	0	0	0	112.5	K114	K114-A233 WeakPolarHBondContact CB-OXT 3.46Å; K114-A233 WeakPolarHBondContact CD-OXT 3.25Å; K114-A233 WeakPolarHBondContact CG-OXT 3.43Å

Retrieved 233 of 233 residues in 143.7 ms (Link to these results)

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