A0A087X672_POEFO Loading...

Integral membrane protein 2

Negative regulator of amyloid-beta peptide production. May inhibit the processing of APP by blocking its access to alpha- and beta-secretase. Binding to the beta-secretase-cleaved APP C-terminal fragment is negligible, suggesting that ITM2C is a poor gamma-secretase cleavage inhibitor. May play a role in TNF-induced cell death and neuronal differentiation.

AlphaFold DB , UniProt , Accession A0A087X672, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 256 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	34.5	Very low	35.6	Very low	242 Å²	242	144.6 Å²	144.6	100%	1.192	80%	0.795	S	S	*	*				0	132.5	0	-91.2	-176.7	156.6	0	0	107.9
2	V	36.2	Very low	35	Very low	120 Å²	120	149.2 Å²	149.2	73%	0.727	81%	0.807	S	S	*	*			cis	-138.4	152.7	-12.8	168.1	0	0	0	0	107.8
3	K	38.4	Very low	34.9	Very low	184 Å²	184	149.2 Å²	149.2	80%	0.8	79%	0.794	S	S	*	*			trans	-83.7	129.7	175.7	177.9	-171.9	-176.7	-177.2	0	110.2
4	I	38.7	Very low	35	Very low	138 Å²	138	146.7 Å²	146.7	71%	0.708	79%	0.791	S	S	*	*			trans	-129	130.7	168.6	-54.7	-178.9	0	0	0	109.3	F6	I4-F6 HydrophobicContact CG2-CD2 3.86Å; I4-F6 HydrophobicContact CG2-CE2 3.87Å
5	T	37.8	Very low	34.7	Very low	107 Å²	107	145.9 Å²	145.9	66%	0.656	78%	0.78	S	S	*	*			trans	-116	145.3	171.2	-44.8	0	0	0	0	107.4
6	F	37.9	Very low	34.5	Very low	197 Å²	197	145.4 Å²	145.4	86%	0.864	77%	0.769	S	S	*	*			trans	-135.1	155.4	160.1	-92.3	-76.4	0	0	0	111.5	I4	I4-F6 HydrophobicContact CG2-CD2 3.86Å; I4-F6 HydrophobicContact CG2-CE2 3.87Å
7	Q	38.3	Very low	34.1	Very low	174 Å²	174	146.2 Å²	146.2	81%	0.813	77%	0.774	S	S	*	*			trans	-141.5	146.3	-171.2	179.3	-176.5	8.3	0	0	107.6
8	S	33.1	Very low	33.9	Very low	116 Å²	116	145.1 Å²	145.1	81%	0.811	76%	0.764	S	S	*	*			trans	-142.4	154.8	171.2	56.4	0	0	0	0	111.2
9	V	32.1	Very low	33.8	Very low	119 Å²	119	143.8 Å²	143.8	72%	0.721	76%	0.757	S	S	*	*			trans	-148.2	160.1	-171.9	178.1	0	0	0	0	107.7
10	S	33	Very low	33.8	Very low	116 Å²	116	143 Å²	143	81%	0.811	76%	0.758	S	S	*	*			trans	75.9	149.9	173.8	-68.1	0	0	0	0	116.9
11	A	31.1	Very low	33.8	Very low	78 Å²	78	141.4 Å²	141.4	65%	0.645	75%	0.75	S	S	*	*			cis	-167.6	168	-17	0	0	0	0	0	112.9
12	Q	28.8	Very low	33.7	Very low	199 Å²	199	138 Å²	138	93%	0.93	73%	0.728	S	S	*	*			trans	76.2	173.5	149.5	-84.4	168.2	-61.6	0	0	121.4
13	K	33.8	Very low	33.9	Very low	149 Å²	149	140 Å²	140	65%	0.648	73%	0.733	S	S	*	*			trans	-142	150	-150.7	-176	-137	-178.1	-179.2	0	109	E15	K13-E15 IonicContact NZ-OE2 3.82Å; K13-E15 PolarHBondContact NZ-OE2 2.86Å
14	P	36.4	Very low	33.4	Very low	115 Å²	115	137.7 Å²	137.7	75%	0.747	74%	0.735	S	S	*	*				-136.6	165.8	111.7	41.6	-30.6	0	0	0	110.6
15	E	30.5	Very low	33.3	Very low	134 Å²	134	138 Å²	138	63%	0.626	74%	0.737	S	S	*	*			cis	63	140.8	43.4	-105.4	179.2	111.6	0	0	114	K13	K13-E15 IonicContact NZ-OE2 3.82Å; K13-E15 PolarHBondContact NZ-OE2 2.86Å
16	K	31	Very low	33.4	Very low	138 Å²	138	139 Å²	139	60%	0.6	75%	0.745	S	S	*	*			cis	-161.6	158.1	8.1	-172.3	-164.7	-175.7	-156	0	108.9
17	D	28.4	Very low	33.3	Very low	160 Å²	160	137 Å²	137	86%	0.856	74%	0.739	S	S	*	*			trans	-165.2	171.2	147.9	-110.1	-27.8	0	0	0	115
18	Q	30.1	Very low	32.9	Very low	126 Å²	126	133.3 Å²	133.3	59%	0.589	74%	0.738	S	S	*	*			trans	-139.1	-170.7	-172	-61.8	166.1	-127.4	0	0	110.5
19	D	32.4	Very low	33.3	Very low	121 Å²	121	136.3 Å²	136.3	65%	0.647	74%	0.739	S	S	*	*			cis	-166.6	171.2	0.8	-129.7	-29.8	0	0	0	107.2
20	V	34.3	Very low	33.3	Very low	126 Å²	126	134 Å²	134	76%	0.764	74%	0.74	S	S	*	*			cis	-123	-110.9	-3.1	-161.7	0	0	0	0	110.2
21	D	33.9	Very low	33.2	Very low	111 Å²	111	140.4 Å²	140.4	59%	0.594	75%	0.746	S	S	*	*			cis	-155.1	146.4	-4.6	-175.7	34.9	0	0	0	112
22	K	31.5	Very low	33.6	Very low	169 Å²	169	145 Å²	145	74%	0.735	76%	0.758	S	S	*	*			trans	59.9	163	163.3	-83.6	166.8	-157.1	81	0	122.5
23	I	39.8	Very low	34.3	Very low	163 Å²	163	141.5 Å²	141.5	84%	0.836	75%	0.751	S	S	*	*			trans	-145.2	144.2	-153	-64.2	152.6	0	0	0	110.3
24	T	29	Very low	34.9	Very low	136 Å²	136	139.4 Å²	139.4	83%	0.834	75%	0.752	S	S	*	*			trans	-174.5	147	143	-77.4	0	0	0	0	110.4
25	L	35.3	Very low	35.4	Very low	145 Å²	145	139.7 Å²	139.7	76%	0.759	75%	0.754	S	S	*	*			trans	-103.3	157.4	177.3	-142	79.3	0	0	0	110.5
26	P	39.8	Very low	36.2	Very low	127 Å²	127	142.2 Å²	142.2	83%	0.825	77%	0.768	S	S	*	*				-144	174.6	85.3	37.1	-19.5	0	0	0	116
27	Q	37.3	Very low	37.2	Very low	154 Å²	154	144.7 Å²	144.7	72%	0.72	78%	0.779	S	S	*	*			trans	-81.9	140.9	-171.7	166.6	-174.5	-44.9	0	0	114.5
28	A	29.3	Very low	38.4	Very low	98 Å²	98	143 Å²	143	81%	0.81	78%	0.777	S	S	*	*			trans	-143.4	147.7	159.7	0	0	0	0	0	110.6
29	H	40.6	Very low	39.6	Very low	179 Å²	179	148.5 Å²	148.5	83%	0.829	79%	0.792	S	S	*	*			trans	-84.2	131.1	-173.4	-65.5	-38	0	0	0	113.4
30	G	32.8	Very low	41.1	Very low	71 Å²	71	151.7 Å²	151.7	73%	0.732	80%	0.8	S	S	*	*			trans	-139.5	118.7	168.9	0	0	0	0	0	111.8	L32	G30-L32 PolarHBondContact O-N 2.58Å
31	R	31.5	Very low	42.3	Very low	250 Å²	250	151.7 Å²	151.7	94%	0.943	80%	0.803	S	S	*	*			trans	-73.4	102	170.3	-82.9	-177.1	171.1	177.6	-2.4	109.4	V33	R31-V33 PolarHBondContact O-N 3.15Å
32	L	39.5	Very low	43.7	Very low	173 Å²	173	154.8 Å²	154.8	91%	0.906	81%	0.811	S	S	*	*			trans	-74.5	107.4	169.1	-79.4	164	0	0	0	110.2	G30	G30-L32 PolarHBondContact O-N 2.58Å
33	V	42.8	Very low	45.5	Very low	127 Å²	127	150.8 Å²	150.8	77%	0.77	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-71.2	130.7	169	-179.1	0	0	0	0	108.4	R31	R31-V33 PolarHBondContact O-N 3.15Å
34	P	47.6	Very low	46.9	Very low	105 Å²	105	147.4 Å²	147.4	68%	0.682	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-68.2	140.9	179.5	27.7	-34.5	0	0	0	111.2	M36	P34-M36 PolarHBondContact O-N 2.96Å
35	P	46.5	Very low	49.1	Very low	121 Å²	121	143.2 Å²	143.2	79%	0.786	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-66.6	118.4	-177.5	26	-34	0	0	0	111.5	K37	P35-K37 PolarHBondContact O-N 3.04Å
36	M	47.8	Very low	51.3	Low	187 Å²	187	142.2 Å²	142.2	92%	0.921	77%	0.768	S	S	*	*			trans	-74	85.1	-175.4	-165.8	174.4	-172.1	0	0	111.3	P34	P34-M36 PolarHBondContact O-N 2.96Å
37	K	50.3	Low	53.3	Low	189 Å²	189	139.8 Å²	139.8	82%	0.822	75%	0.753	S	S	*	*			trans	-59.7	128.5	174.3	-81.5	-175.5	175	176.8	0	110.5	P35 R39	P35-K37 PolarHBondContact O-N 3.04Å; K37-R39 PolarHBondContact O-N 3.29Å
38	P	53.5	Low	55.6	Low	124 Å²	124	136.1 Å²	136.1	81%	0.805	74%	0.744	S	S	*	*			trans	-65.8	118.8	177.6	26	-33.2	0	0	0	110.2	K40	P38-K40 PolarHBondContact O-N 3.21Å
39	R	56.6	Low	58.4	Low	243 Å²	243	137 Å²	137	92%	0.917	73%	0.734	S	S	*	*			trans	-72.7	109.5	177	-155.7	175.8	-165.4	167.3	2.8	107.7	K37	K37-R39 PolarHBondContact O-N 3.29Å
40	K	63.6	Low	60.6	Low	188 Å²	188	131 Å²	131	82%	0.817	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-52.8	128.2	176.4	-70.6	-176.4	174.7	-177.4	0	109.1	P38 F42	P38-K40 PolarHBondContact O-N 3.21Å; K40-F42 PolarHBondContact O-N 3.18Å
41	P	59.4	Low	63.4	Low	125 Å²	125	132.5 Å²	132.5	81%	0.812	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-64.6	127.6	176.9	26.4	-32.9	0	0	0	109.1
42	F	62.7	Low	66.2	Low	177 Å²	177	122.3 Å²	122.3	78%	0.776	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-64.5	144.4	169.8	-90.8	-104.7	0	0	0	109.2	K40 V44	K40-F42 PolarHBondContact O-N 3.18Å; F42-V44 HydrophobicContact CB-CG2 4.02Å; F42-V44 PolarHBondContact O-N 3.34Å
43	P	70	Confident	68.7	Low	84 Å²	84	119.4 Å²	119.4	55%	0.545	66%	0.663	S	S	.	*	S	Bend	trans	-76.7	42	-175.1	33.9	-37.9	0	0	0	112.9	G45 L46 C47	P43-G45 VanDerWaalsContact C-N 3.28Å; P43-G45 PolarHBondContact O-N 3.29Å; P43-L46 HydrophobicContact CB-CB 4.19Å; P43-L46 WeakPolarHBondContact O-CB 3.37Å; P43-L46 PolarHBondContact O-N 2.81Å; P43-C47 PolarHBondContact O-N 3.18Å; P43-C47 VanDerWaalsContact O-N 3.13Å
44	V	69.6	Low	71.1	Confident	92 Å²	92	117.9 Å²	117.9	56%	0.558	65%	0.654	S	S	*	*	H	α-helix	trans	-55.8	-43.7	-178.8	-177.7	0	0	0	0	110.7	F42 L46 C47 C48	F42-V44 HydrophobicContact CB-CG2 4.02Å; F42-V44 PolarHBondContact O-N 3.34Å; V44-L46 VanDerWaalsContact C-N 3.29Å; V44-L46 PolarHBondContact O-N 2.88Å; V44-C47 PolarHBondContact O-N 2.63Å; V44-C48 PolarHBondContact O-N 2.75Å; V44-C48 PolarHBondContact O-SG 3.4Å
45	G	74.2	Confident	73.3	Confident	48 Å²	48	118.2 Å²	118.2	50%	0.495	65%	0.649	S	S	.	*	H	α-helix	trans	-59.7	-35.3	175.8	0	0	0	0	0	113.7	P43 C48 L49	P43-G45 VanDerWaalsContact C-N 3.28Å; P43-G45 PolarHBondContact O-N 3.29Å; G45-C48 PolarHBondContact O-N 3.23Å; G45-L49 WeakPolarHBondContact O-CB 3.48Å; G45-L49 VanDerWaalsContact O-CG 3.27Å; G45-L49 WeakPolarHBondContact O-CG 3.31Å; G45-L49 PolarHBondContact O-N 3.03Å
46	L	81.8	Confident	75.6	Confident	125 Å²	125	118.8 Å²	118.8	65%	0.654	64%	0.639	S	S	*	*	H	α-helix	trans	-70.9	-39.6	176.6	-172	64.6	0	0	0	111.3	P43 V44 L49 A50	P43-L46 HydrophobicContact CB-CB 4.19Å; P43-L46 WeakPolarHBondContact O-CB 3.37Å; P43-L46 PolarHBondContact O-N 2.81Å; V44-L46 VanDerWaalsContact C-N 3.29Å; V44-L46 PolarHBondContact O-N 2.88Å; L46-L49 PolarHBondContact O-N 3.01Å; L46-A50 WeakPolarHBondContact O-CB 3.47Å; L46-A50 PolarHBondContact O-N 2.93Å
47	C	82.7	Confident	77.7	Confident	75 Å²	75	113.4 Å²	113.4	51%	0.507	62%	0.617	S	S	.	*	H	α-helix	trans	-64.1	-43.5	171.6	-70.7	0	0	0	0	112.1	P43 V44 L49 A50 I51	P43-C47 PolarHBondContact O-N 3.18Å; P43-C47 VanDerWaalsContact O-N 3.13Å; V44-C47 PolarHBondContact O-N 2.63Å; C47-L49 PolarHBondContact O-N 3.33Å; C47-A50 PolarHBondContact O-N 3.4Å; C47-I51 WeakPolarHBondContact O-CB 3.42Å; C47-I51 WeakPolarHBondContact O-CD1 3.44Å; C47-I51 VanDerWaalsContact O-CG1 3.25Å; C47-I51 WeakPolarHBondContact O-CG1 3.43Å; C47-I51 PolarHBondContact O-N 3.42Å
48	C	85.1	Confident	79.7	Confident	78 Å²	78	109 Å²	109	53%	0.527	60%	0.602	S	S	.	*	H	α-helix	trans	-62.4	-41.2	177	-67.6	0	0	0	0	112.1	V44 G45 G52	V44-C48 PolarHBondContact O-N 2.75Å; V44-C48 PolarHBondContact O-SG 3.4Å; G45-C48 PolarHBondContact O-N 3.23Å; C48-G52 PolarHBondContact O-N 3.05Å
49	L	87.2	Confident	81.6	Confident	117 Å²	117	105.3 Å²	105.3	61%	0.613	59%	0.586	S	S	*	*	H	α-helix	trans	-64.5	-44.3	173.9	-74	168.1	0	0	0	111.9	G45 L46 C47 G52 L53	G45-L49 WeakPolarHBondContact O-CB 3.48Å; G45-L49 VanDerWaalsContact O-CG 3.27Å; G45-L49 WeakPolarHBondContact O-CG 3.31Å; G45-L49 PolarHBondContact O-N 3.03Å; L46-L49 PolarHBondContact O-N 3.01Å; C47-L49 PolarHBondContact O-N 3.33Å; L49-G52 PolarHBondContact O-N 2.03Å; L49-L53 WeakPolarHBondContact O-CB 3.43Å; L49-L53 VanDerWaalsContact O-CG 3.31Å; L49-L53 WeakPolarHBondContact O-CG 3.39Å; L49-L53 PolarHBondContact O-N 2.94Å
50	A	88.3	Confident	83.3	Confident	52 Å²	52	98.3 Å²	98.3	43%	0.43	57%	0.566	S	S	.	*	H	α-helix	trans	-61.5	-45.2	176.6	0	0	0	0	0	112.1	L46 C47 L53 V54	L46-A50 WeakPolarHBondContact O-CB 3.47Å; L46-A50 PolarHBondContact O-N 2.93Å; C47-A50 PolarHBondContact O-N 3.4Å; A50-L53 PolarHBondContact O-N 2.81Å; A50-V54 WeakPolarHBondContact O-CG2 3.49Å; A50-V54 PolarHBondContact O-N 3.14Å
51	I	89.9	Confident	84.7	Confident	102 Å²	102	93 Å²	93	52%	0.523	55%	0.55	S	S	.	.	H	α-helix	trans	-63.3	-43.7	176.3	-68.4	164.1	0	0	0	110.7	C47 L53 V54 I55	C47-I51 WeakPolarHBondContact O-CB 3.42Å; C47-I51 WeakPolarHBondContact O-CD1 3.44Å; C47-I51 VanDerWaalsContact O-CG1 3.25Å; C47-I51 WeakPolarHBondContact O-CG1 3.43Å; C47-I51 PolarHBondContact O-N 3.42Å; I51-L53 PolarHBondContact O-N 3.26Å; I51-V54 PolarHBondContact O-N 2.93Å; I51-I55 HydrophobicContact CG2-CD1 3.76Å; I51-I55 HydrophobicContact CG2-CG1 4.44Å; I51-I55 WeakPolarHBondContact O-CG1 3.47Å; I51-I55 PolarHBondContact O-N 2.8Å
52	G	91.4	Very high	86.2	Confident	37 Å²	37	92 Å²	92	38%	0.381	54%	0.537	S	S	.	.	H	α-helix	trans	-59.9	-42.7	175.8	0	0	0	0	0	112.9	C48 L49 I55 F56	C48-G52 PolarHBondContact O-N 3.05Å; L49-G52 PolarHBondContact O-N 2.03Å; G52-I55 PolarHBondContact O-N 2.91Å; G52-F56 VanDerWaalsContact O-CB 3.29Å; G52-F56 WeakPolarHBondContact O-CB 3.41Å; G52-F56 PolarHBondContact O-N 3.04Å
53	L	92.1	Very high	87.5	Confident	112 Å²	112	86.2 Å²	86.2	59%	0.586	52%	0.517	S	S	*	.	H	α-helix	trans	-66.8	-36.9	175.6	-72	169.3	0	0	0	112.7	L49 A50 I51 T57	L49-L53 WeakPolarHBondContact O-CB 3.43Å; L49-L53 VanDerWaalsContact O-CG 3.31Å; L49-L53 WeakPolarHBondContact O-CG 3.39Å; L49-L53 PolarHBondContact O-N 2.94Å; A50-L53 PolarHBondContact O-N 2.81Å; I51-L53 PolarHBondContact O-N 3.26Å; L53-T57 WeakPolarHBondContact O-CB 3.44Å; L53-T57 WeakPolarHBondContact O-CG2 3.34Å; L53-T57 PolarHBondContact O-N 2.99Å; L53-T57 PolarHBondContact O-OG1 3.48Å
54	V	94.1	Very high	88.4	Confident	94 Å²	94	85.9 Å²	85.9	57%	0.57	52%	0.517	S	S	*	.	H	α-helix	trans	-67	-43.4	174.4	169.6	0	0	0	0	111.1	A50 I51 T57 L58	A50-V54 WeakPolarHBondContact O-CG2 3.49Å; A50-V54 PolarHBondContact O-N 3.14Å; I51-V54 PolarHBondContact O-N 2.93Å; V54-T57 PolarHBondContact O-OG1 2.56Å; V54-L58 VanDerWaalsContact O-CB 3.25Å; V54-L58 WeakPolarHBondContact O-CB 3.21Å; V54-L58 PolarHBondContact O-N 2.81Å
55	I	93.6	Very high	89.4	Confident	113 Å²	113	85.9 Å²	85.9	58%	0.579	51%	0.512	S	S	*	.	H	α-helix	trans	-65.1	-42.8	176.2	-67.6	168.5	0	0	0	110.6	I51 G52 G59	I51-I55 HydrophobicContact CG2-CD1 3.76Å; I51-I55 HydrophobicContact CG2-CG1 4.44Å; I51-I55 WeakPolarHBondContact O-CG1 3.47Å; I51-I55 PolarHBondContact O-N 2.8Å; G52-I55 PolarHBondContact O-N 2.91Å; I55-G59 PolarHBondContact O-N 3.02Å
56	F	93.6	Very high	90.1	Very high	133 Å²	133	91.1 Å²	91.1	58%	0.583	52%	0.519	S	S	*	.	H	α-helix	trans	-65.4	-45.2	178.3	-177.8	-106.3	0	0	0	112.4	G52 G59 L60	G52-F56 VanDerWaalsContact O-CB 3.29Å; G52-F56 WeakPolarHBondContact O-CB 3.41Å; G52-F56 PolarHBondContact O-N 3.04Å; F56-G59 CarbonylContact O-C 3.59Å; F56-G59 PolarHBondContact O-N 3.17Å; F56-L60 HydrophobicContact CD1-CD1 4.07Å; F56-L60 HydrophobicContact CE1-CD1 3.54Å; F56-L60 HydrophobicContact CE1-CG 4.4Å; F56-L60 HydrophobicContact CE2-CD1 4.5Å; F56-L60 HydrophobicContact CZ-CD1 3.78Å; F56-L60 HydrophobicContact CZ-CG 4.35Å; F56-L60 WeakPolarHBondContact O-CG 2.99Å; F56-L60 PolarHBondContact O-N 3Å
57	T	91.5	Very high	90.4	Very high	74 Å²	74	89.6 Å²	89.6	45%	0.454	51%	0.51	S	S	.	.	H	α-helix	trans	-67	-40.2	177.3	49.2	0	0	0	0	112	L53 V54 G59 L60 V61	L53-T57 WeakPolarHBondContact O-CB 3.44Å; L53-T57 WeakPolarHBondContact O-CG2 3.34Å; L53-T57 PolarHBondContact O-N 2.99Å; L53-T57 PolarHBondContact O-OG1 3.48Å; V54-T57 PolarHBondContact O-OG1 2.56Å; T57-G59 VanDerWaalsContact C-N 3.33Å; T57-G59 PolarHBondContact O-N 3.01Å; T57-L60 PolarHBondContact O-N 3.24Å; T57-V61 WeakPolarHBondContact O-CB 3.3Å; T57-V61 VanDerWaalsContact O-CG2 3.29Å; T57-V61 WeakPolarHBondContact O-CG2 2.98Å; T57-V61 PolarHBondContact O-N 2.78Å
58	L	93.4	Very high	90.5	Very high	97 Å²	97	92.2 Å²	92.2	51%	0.508	51%	0.51	S	S	.	.	H	α-helix	trans	-62.1	-41.4	172	-171.6	68.3	0	0	0	111.7	V54 L60 V61 L62	V54-L58 VanDerWaalsContact O-CB 3.25Å; V54-L58 WeakPolarHBondContact O-CB 3.21Å; V54-L58 PolarHBondContact O-N 2.81Å; L58-L60 PolarHBondContact O-N 3.01Å; L58-V61 PolarHBondContact O-N 2.91Å; L58-L62 HydrophobicContact CD1-CD1 3.78Å; L58-L62 HydrophobicContact CD1-CD2 4.23Å; L58-L62 HydrophobicContact CD1-CG 3.74Å; L58-L62 HydrophobicContact CD2-CD1 4.35Å; L58-L62 HydrophobicContact CG-CD1 3.76Å; L58-L62 HydrophobicContact CG-CG 4.06Å; L58-L62 WeakPolarHBondContact O-CB 3.38Å; L58-L62 WeakPolarHBondContact O-CG 3.35Å; L58-L62 PolarHBondContact O-N 3.06Å
59	G	92.3	Very high	90.4	Very high	46 Å²	46	95.9 Å²	95.9	47%	0.474	51%	0.513	S	S	.	.	H	α-helix	trans	-69.4	-10.5	175.5	0	0	0	0	0	115.2	I55 F56 T57 P63	I55-G59 PolarHBondContact O-N 3.02Å; F56-G59 CarbonylContact O-C 3.59Å; F56-G59 PolarHBondContact O-N 3.17Å; T57-G59 VanDerWaalsContact C-N 3.33Å; T57-G59 PolarHBondContact O-N 3.01Å; G59-P63 WeakPolarHBondContact O-CD 3.38Å; G59-P63 WeakPolarHBondContact O-CG 3.2Å
60	L	93.1	Very high	90	Very high	96 Å²	96	95.8 Å²	95.8	50%	0.503	51%	0.508	S	S	.	.	H	α-helix	trans	-97.3	-46.1	166.3	-70.8	175.7	0	0	0	111.3	F56 T57 L58 P63 S64	F56-L60 HydrophobicContact CD1-CD1 4.07Å; F56-L60 HydrophobicContact CE1-CD1 3.54Å; F56-L60 HydrophobicContact CE1-CG 4.4Å; F56-L60 HydrophobicContact CE2-CD1 4.5Å; F56-L60 HydrophobicContact CZ-CD1 3.78Å; F56-L60 HydrophobicContact CZ-CG 4.35Å; F56-L60 WeakPolarHBondContact O-CG 2.99Å; F56-L60 PolarHBondContact O-N 3Å; T57-L60 PolarHBondContact O-N 3.24Å; L58-L60 PolarHBondContact O-N 3.01Å; L60-P63 WeakPolarHBondContact O-CD 3.49Å; L60-S64 WeakPolarHBondContact O-CB 3.4Å; L60-S64 PolarHBondContact O-N 2.78Å
61	V	93.1	Very high	89.3	Confident	77 Å²	77	99.4 Å²	99.4	47%	0.467	51%	0.511	S	S	.	.	H	α-helix	trans	-68.5	-42.8	-173.7	170.4	0	0	0	0	112	T57 L58 S64 I65	T57-V61 WeakPolarHBondContact O-CB 3.3Å; T57-V61 VanDerWaalsContact O-CG2 3.29Å; T57-V61 WeakPolarHBondContact O-CG2 2.98Å; T57-V61 PolarHBondContact O-N 2.78Å; L58-V61 PolarHBondContact O-N 2.91Å; V61-S64 PolarHBondContact O-N 2.83Å; V61-I65 HydrophobicContact CG1-CD1 3.59Å; V61-I65 HydrophobicContact CG1-CG1 4.3Å; V61-I65 WeakPolarHBondContact O-CB 3.44Å; V61-I65 VanDerWaalsContact O-CG1 3.26Å; V61-I65 WeakPolarHBondContact O-CG1 3.05Å; V61-I65 PolarHBondContact O-N 3.2Å
62	L	89.9	Confident	88.1	Confident	102 Å²	102	99.4 Å²	99.4	53%	0.534	51%	0.508	S	S	.	.	H	α-helix	trans	-63.6	-52.9	178.7	-68.7	-178	0	0	0	113.2	L58 S64 I65 Y66	L58-L62 HydrophobicContact CD1-CD1 3.78Å; L58-L62 HydrophobicContact CD1-CD2 4.23Å; L58-L62 HydrophobicContact CD1-CG 3.74Å; L58-L62 HydrophobicContact CD2-CD1 4.35Å; L58-L62 HydrophobicContact CG-CD1 3.76Å; L58-L62 HydrophobicContact CG-CG 4.06Å; L58-L62 WeakPolarHBondContact O-CB 3.38Å; L58-L62 WeakPolarHBondContact O-CG 3.35Å; L58-L62 PolarHBondContact O-N 3.06Å; L62-S64 VanDerWaalsContact C-N 3.33Å; L62-S64 PolarHBondContact O-N 3.31Å; L62-I65 PolarHBondContact O-N 3.06Å; L62-Y66 WeakPolarHBondContact O-CB 3.4Å; L62-Y66 PolarHBondContact O-N 2.9Å
63	P	90.6	Very high	86.5	Confident	56 Å²	56	101.6 Å²	101.6	36%	0.364	51%	0.509	S	S	.	.	H	α-helix	trans	-68.3	-30.5	175.7	25.8	-32.5	0	0	0	112.4	G59 L60 Y66 I67	G59-P63 WeakPolarHBondContact O-CD 3.38Å; G59-P63 WeakPolarHBondContact O-CG 3.2Å; L60-P63 WeakPolarHBondContact O-CD 3.49Å; P63-Y66 PolarHBondContact O-N 2.96Å; P63-I67 WeakPolarHBondContact O-CB 3.5Å; P63-I67 WeakPolarHBondContact O-CD1 3.32Å; P63-I67 WeakPolarHBondContact O-CG1 3.16Å; P63-I67 PolarHBondContact O-N 3.04Å
64	S	89.6	Confident	84.7	Confident	77 Å²	77	99.9 Å²	99.9	54%	0.538	51%	0.507	S	S	.	.	H	α-helix	trans	-63	-44.3	172.4	-176.8	0	0	0	0	111.7	L60 V61 L62 Y68	L60-S64 WeakPolarHBondContact O-CB 3.4Å; L60-S64 PolarHBondContact O-N 2.78Å; V61-S64 PolarHBondContact O-N 2.83Å; L62-S64 VanDerWaalsContact C-N 3.33Å; L62-S64 PolarHBondContact O-N 3.31Å; S64-Y68 WeakPolarHBondContact O-CB 3.31Å; S64-Y68 PolarHBondContact O-N 3.28Å
65	I	90.8	Very high	82.7	Confident	92 Å²	92	101.7 Å²	101.7	47%	0.472	51%	0.509	S	S	.	.	H	α-helix	trans	-65.5	-39.9	173.9	-70.6	169.8	0	0	0	111.2	V61 L62 R69	V61-I65 HydrophobicContact CG1-CD1 3.59Å; V61-I65 HydrophobicContact CG1-CG1 4.3Å; V61-I65 WeakPolarHBondContact O-CB 3.44Å; V61-I65 VanDerWaalsContact O-CG1 3.26Å; V61-I65 WeakPolarHBondContact O-CG1 3.05Å; V61-I65 PolarHBondContact O-N 3.2Å; L62-I65 PolarHBondContact O-N 3.06Å; I65-R69 HydrophobicContact CG2-CG 4.36Å; I65-R69 VanDerWaalsContact O-CB 3.28Å; I65-R69 WeakPolarHBondContact O-CB 3.37Å; I65-R69 VanDerWaalsContact O-CG 3.27Å; I65-R69 WeakPolarHBondContact O-CG 3.19Å; I65-R69 PolarHBondContact O-N 2.8Å
66	Y	88.4	Confident	80.6	Confident	159 Å²	159	100.9 Å²	100.9	62%	0.624	50%	0.503	S	S	*	.	H	α-helix	trans	-66.6	-47	177.9	-177.3	-96.9	0	0	0	112	L62 P63 R69 F70	L62-Y66 WeakPolarHBondContact O-CB 3.4Å; L62-Y66 PolarHBondContact O-N 2.9Å; P63-Y66 PolarHBondContact O-N 2.96Å; Y66-R69 PolarHBondContact O-N 2.98Å; Y66-F70 WeakPolarHBondContact O-CB 3.28Å; Y66-F70 PolarHBondContact O-N 2.9Å
67	I	87.8	Confident	78.6	Confident	93 Å²	93	99.4 Å²	99.4	48%	0.477	50%	0.5	S	S	.	.	H	α-helix	trans	-64.7	-42.8	176.2	-69.9	167.3	0	0	0	110.1	P63 F70 Y71	P63-I67 WeakPolarHBondContact O-CB 3.5Å; P63-I67 WeakPolarHBondContact O-CD1 3.32Å; P63-I67 WeakPolarHBondContact O-CG1 3.16Å; P63-I67 PolarHBondContact O-N 3.04Å; I67-F70 PolarHBondContact O-N 2.04Å; I67-Y71 HydrophobicContact CB-CD2 4.49Å; I67-Y71 HydrophobicContact CG2-CD2 3.75Å; I67-Y71 HydrophobicContact CG2-CE2 4.2Å; I67-Y71 WeakPolarHBondContact O-CB 3.41Å; I67-Y71 WeakPolarHBondContact O-CD2 3.06Å; I67-Y71 PolarHBondContact O-N 2.78Å
68	Y	84.6	Confident	76.8	Confident	129 Å²	129	98.2 Å²	98.2	51%	0.506	49%	0.493	S	S	.	.	I	π-helix	trans	-62.8	-47.6	174.6	-176.3	-97.5	0	0	0	111.2	S64 F70 F72	S64-Y68 WeakPolarHBondContact O-CB 3.31Å; S64-Y68 PolarHBondContact O-N 3.28Å; Y68-F70 PolarHBondContact O-N 3.3Å; Y68-F72 HydrophobicContact CD2-CB 4.17Å; Y68-F72 AromaticContact CD2-CD2 3.54Å; Y68-F72 HydrophobicContact CD2-CD2 3.54Å; Y68-F72 HydrophobicContact CD2-CE2 4.09Å; Y68-F72 AromaticContact CD2-CG 3.94Å; Y68-F72 HydrophobicContact CD2-CG 3.94Å; Y68-F72 HydrophobicContact CE1-CB 4.48Å; Y68-F72 HydrophobicContact CE2-CB 3.98Å; Y68-F72 HydrophobicContact CE2-CD1 4Å; Y68-F72 AromaticContact CE2-CD2 3.53Å; Y68-F72 HydrophobicContact CE2-CD2 3.53Å; Y68-F72 HydrophobicContact CE2-CE1 4.36Å; Y68-F72 AromaticContact CE2-CE2 3.93Å; Y68-F72 HydrophobicContact CE2-CE2 3.93Å; Y68-F72 AromaticContact CE2-CG 3.57Å; Y68-F72 HydrophobicContact CE2-CG 3.57Å; Y68-F72 HydrophobicContact CE2-CZ 4.32Å; Y68-F72 HydrophobicContact CG-CD2 4.49Å; Y68-F72 WeakPolarHBondContact O-CA 3.36Å; Y68-F72 VanDerWaalsContact O-CB 3.22Å; Y68-F72 WeakPolarHBondContact O-CB 3.46Å; Y68-F72 PolarHBondContact O-N 3.05Å
69	R	82.4	Confident	75	Confident	156 Å²	156	102.4 Å²	102.4	59%	0.589	51%	0.51	S	S	*	.	I	π-helix	trans	-60.2	-48.1	175.2	-77.1	-68.1	-165.5	169.3	5	111.7	I65 Y66 M73	I65-R69 HydrophobicContact CG2-CG 4.36Å; I65-R69 VanDerWaalsContact O-CB 3.28Å; I65-R69 WeakPolarHBondContact O-CB 3.37Å; I65-R69 VanDerWaalsContact O-CG 3.27Å; I65-R69 WeakPolarHBondContact O-CG 3.19Å; I65-R69 PolarHBondContact O-N 2.8Å; Y66-R69 PolarHBondContact O-N 2.98Å; R69-M73 PolarHBondContact NH1-SD 2.87Å; R69-M73 WeakPolarHBondContact O-CB 3.15Å; R69-M73 WeakPolarHBondContact O-CG 3.34Å; R69-M73 PolarHBondContact O-N 3.41Å
70	F	79.1	Confident	73.6	Confident	115 Å²	115	103.6 Å²	103.6	50%	0.504	51%	0.506	S	S	.	.	I	π-helix	trans	-65.2	-56	-177.6	-171	-98.6	0	0	0	111.3	Y66 I67 Y68 S74	Y66-F70 WeakPolarHBondContact O-CB 3.28Å; Y66-F70 PolarHBondContact O-N 2.9Å; I67-F70 PolarHBondContact O-N 2.04Å; Y68-F70 PolarHBondContact O-N 3.3Å; F70-S74 WeakPolarHBondContact O-CB 3.49Å; F70-S74 PolarHBondContact O-N 3Å; F70-S74 VanDerWaalsContact O-N 3.11Å
71	Y	73.6	Confident	72.8	Confident	128 Å²	128	100.7 Å²	100.7	50%	0.502	49%	0.493	S	S	.	.	I	π-helix	trans	-74.5	-51.1	-177.8	-73	-90.5	0	0	0	112.7	I67 Q75	I67-Y71 HydrophobicContact CB-CD2 4.49Å; I67-Y71 HydrophobicContact CG2-CD2 3.75Å; I67-Y71 HydrophobicContact CG2-CE2 4.2Å; I67-Y71 WeakPolarHBondContact O-CB 3.41Å; I67-Y71 WeakPolarHBondContact O-CD2 3.06Å; I67-Y71 PolarHBondContact O-N 2.78Å; Y71-Q75 WeakPolarHBondContact O-CB 3.09Å; Y71-Q75 WeakPolarHBondContact O-CG 3.45Å; Y71-Q75 PolarHBondContact O-N 2.85Å
72	F	64.6	Low	72.6	Confident	102 Å²	102	102.5 Å²	102.5	45%	0.447	50%	0.5	S	S	.	.	I	π-helix	trans	-69.9	-37.5	-178.3	-93.4	-101.5	0	0	0	113.2	Y68 Q76	Y68-F72 HydrophobicContact CD2-CB 4.17Å; Y68-F72 AromaticContact CD2-CD2 3.54Å; Y68-F72 HydrophobicContact CD2-CD2 3.54Å; Y68-F72 HydrophobicContact CD2-CE2 4.09Å; Y68-F72 AromaticContact CD2-CG 3.94Å; Y68-F72 HydrophobicContact CD2-CG 3.94Å; Y68-F72 HydrophobicContact CE1-CB 4.48Å; Y68-F72 HydrophobicContact CE2-CB 3.98Å; Y68-F72 HydrophobicContact CE2-CD1 4Å; Y68-F72 AromaticContact CE2-CD2 3.53Å; Y68-F72 HydrophobicContact CE2-CD2 3.53Å; Y68-F72 HydrophobicContact CE2-CE1 4.36Å; Y68-F72 AromaticContact CE2-CE2 3.93Å; Y68-F72 HydrophobicContact CE2-CE2 3.93Å; Y68-F72 AromaticContact CE2-CG 3.57Å; Y68-F72 HydrophobicContact CE2-CG 3.57Å; Y68-F72 HydrophobicContact CE2-CZ 4.32Å; Y68-F72 HydrophobicContact CG-CD2 4.49Å; Y68-F72 WeakPolarHBondContact O-CA 3.36Å; Y68-F72 VanDerWaalsContact O-CB 3.22Å; Y68-F72 WeakPolarHBondContact O-CB 3.46Å; Y68-F72 PolarHBondContact O-N 3.05Å; F72-Q76 VanDerWaalsContact O-CB 3.23Å; F72-Q76 WeakPolarHBondContact O-CB 3.46Å; F72-Q76 VanDerWaalsContact O-CD 3.24Å; F72-Q76 WeakPolarHBondContact O-CG 3.26Å; F72-Q76 PolarHBondContact O-N 2.85Å; F72-Q76 PolarHBondContact O-OE1 2.72Å
73	M	58.9	Low	72.6	Confident	82 Å²	82	98.3 Å²	98.3	40%	0.404	48%	0.477	S	S	.	.	I	π-helix	trans	-75.8	-38.1	178.2	-52.8	-118	66.3	0	0	111.7	R69 Q76 I77	R69-M73 PolarHBondContact NH1-SD 2.87Å; R69-M73 WeakPolarHBondContact O-CB 3.15Å; R69-M73 WeakPolarHBondContact O-CG 3.34Å; R69-M73 PolarHBondContact O-N 3.41Å; M73-Q76 PolarHBondContact O-N 2.75Å; M73-I77 PolarHBondContact O-N 2.85Å
74	S	54.2	Low	72.5	Confident	77 Å²	77	101.4 Å²	101.4	54%	0.538	49%	0.486	S	S	.	.	H	α-helix	trans	-72.1	-27.7	176.2	-156.8	0	0	0	0	112.6	F70 I77	F70-S74 WeakPolarHBondContact O-CB 3.49Å; F70-S74 PolarHBondContact O-N 3Å; F70-S74 VanDerWaalsContact O-N 3.11Å; S74-I77 CarbonylContact O-C 3.59Å
75	Q	50.8	Low	72.4	Confident	132 Å²	132	98.5 Å²	98.5	62%	0.617	47%	0.466	S	S	*	.	H	α-helix	trans	-80	-18.1	169.3	-70.3	175.6	-16.1	0	0	113.5	Y71 I77	Y71-Q75 WeakPolarHBondContact O-CB 3.09Å; Y71-Q75 WeakPolarHBondContact O-CG 3.45Å; Y71-Q75 PolarHBondContact O-N 2.85Å; Q75-I77 VanDerWaalsContact C-N 3.28Å
76	Q	50.5	Low	72.2	Confident	96 Å²	96	101.3 Å²	101.3	45%	0.449	47%	0.471	S	S	.	.	H	α-helix	trans	-80.2	-10.7	171.7	-79.2	165.9	-3.2	0	0	112.9	F72 M73 P78 W169	F72-Q76 VanDerWaalsContact O-CB 3.23Å; F72-Q76 WeakPolarHBondContact O-CB 3.46Å; F72-Q76 VanDerWaalsContact O-CD 3.24Å; F72-Q76 WeakPolarHBondContact O-CG 3.26Å; F72-Q76 PolarHBondContact O-N 2.85Å; F72-Q76 PolarHBondContact O-OE1 2.72Å; M73-Q76 PolarHBondContact O-N 2.75Å; Q76-P78 WeakPolarHBondContact O-CD 3.4Å; Q76-W169 VanDerWaalsContact O-CH2 3.31Å; Q76-W169 WeakPolarHBondContact O-CH2 3.47Å
77	I	51.5	Low	71.9	Confident	102 Å²	102	94.3 Å²	94.3	52%	0.523	44%	0.444	S	S	.	.	S	Bend	trans	-104.9	76.8	157.8	-50.8	176.5	0	0	0	107.5	M73 S74 Q75 L111	M73-I77 PolarHBondContact O-N 2.85Å; S74-I77 CarbonylContact O-C 3.59Å; Q75-I77 VanDerWaalsContact C-N 3.28Å; I77-L111 HydrophobicContact CG2-CD1 4.32Å
78	P	54.4	Low	71.6	Confident	48 Å²	48	93.3 Å²	93.3	31%	0.312	44%	0.439	S	S	.	.			trans	-60.7	149.2	173.4	28.8	-36.5	0	0	0	110.9	Q76 D80 W169	Q76-P78 WeakPolarHBondContact O-CD 3.4Å; P78-D80 HydrophobicContact CB-CB 4.24Å; P78-D80 HydrophobicContact CG-CB 4.24Å; P78-D80 CarbonylContact O-C 3.1Å; P78-D80 PolarHBondContact O-N 3.48Å; P78-W169 HydrophobicContact CG-CZ2 3.78Å
79	E	54.8	Low	71.2	Confident	185 Å²	185	87.8 Å²	87.8	86%	0.864	42%	0.418	S	S	*	.	S	Bend	trans	-56	-9.6	172.7	-64.9	-76.5	142.2	0	0	113.9	S81	E79-S81 PolarHBondContact O-N 3.35Å; E79-S81 PolarHBondContact O-OG 3.02Å
80	D	62	Low	70.7	Confident	72 Å²	72	86.2 Å²	86.2	39%	0.385	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	57.2	161.8	-74.2	1.7	0	0	0	111.9	P78 L82 F83 W169 K176	P78-D80 HydrophobicContact CB-CB 4.24Å; P78-D80 HydrophobicContact CG-CB 4.24Å; P78-D80 CarbonylContact O-C 3.1Å; P78-D80 PolarHBondContact O-N 3.48Å; D80-L82 VanDerWaalsContact C-N 3.32Å; D80-F83 VanDerWaalsContact O-CE2 3.23Å; D80-F83 WeakPolarHBondContact O-CE2 2.95Å; D80-F83 VanDerWaalsContact O-CZ 3.28Å; D80-F83 WeakPolarHBondContact O-CZ 3.26Å; D80-W169 PolarHBondContact O-NE1 2.85Å; D80-K176 IonicContact OD1-NZ 2.89Å; D80-K176 IonicContact OD2-NZ 3.18Å; D80-K176 PolarHBondContact OD2-NZ 3.04Å
81	S	78.1	Confident	70.2	Confident	35 Å²	35	81 Å²	81	25%	0.245	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-27	158.2	54.5	0	0	0	0	111	E79 G108 I109	E79-S81 PolarHBondContact O-N 3.35Å; E79-S81 PolarHBondContact O-OG 3.02Å; S81-G108 CarbonylContact O-C 3.52Å; S81-G108 WeakPolarHBondContact O-CA 3.3Å; S81-I109 WeakPolarHBondContact CB-O 3.39Å; S81-I109 PolarHBondContact O-N 3.37Å
82	L	88.7	Confident	69.6	Low	115 Å²	115	79 Å²	79	60%	0.602	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.2	120.3	178.3	-63.4	172.9	0	0	0	111	D80 V107	D80-L82 VanDerWaalsContact C-N 3.32Å; L82-V107 WeakPolarHBondContact CA-O 3.32Å
83	F	89.1	Confident	69.5	Low	14 Å²	14	79.5 Å²	79.5	6%	0.061	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	136.4	174.4	-62	-96.6	0	0	0	109.8	D80 N106 V107 I109 W169 L172 V173	D80-F83 VanDerWaalsContact O-CE2 3.23Å; D80-F83 WeakPolarHBondContact O-CE2 2.95Å; D80-F83 VanDerWaalsContact O-CZ 3.28Å; D80-F83 WeakPolarHBondContact O-CZ 3.26Å; F83-N106 CarbonylContact O-C 3.59Å; F83-N106 WeakPolarHBondContact O-CA 3.4Å; F83-V107 HydrophobicContact CB-CB 4.47Å; F83-V107 PolarHBondContact N-O 2.95Å; F83-V107 PolarHBondContact O-N 2.88Å; F83-I109 HydrophobicContact CD2-CD1 4.29Å; F83-I109 HydrophobicContact CE2-CD1 4.12Å; F83-W169 AromaticContact CE2-CD1 3.71Å; F83-W169 AromaticContact CZ-CD1 3.6Å; F83-W169 HydrophobicContact CZ-CG 4.44Å; F83-W169 AromaticContact CZ-NE1 3.79Å; F83-L172 HydrophobicContact CB-CD1 3.93Å; F83-L172 HydrophobicContact CD1-CB 3.61Å; F83-L172 HydrophobicContact CD1-CD1 4.13Å; F83-L172 HydrophobicContact CD1-CG 4.5Å; F83-L172 HydrophobicContact CD2-CB 4.43Å; F83-L172 HydrophobicContact CD2-CD1 3.74Å; F83-L172 HydrophobicContact CE1-CB 3.62Å; F83-L172 HydrophobicContact CE2-CB 4.45Å; F83-L172 HydrophobicContact CE2-CD1 4.29Å; F83-L172 HydrophobicContact CG-CB 4.04Å; F83-L172 HydrophobicContact CG-CD1 3.65Å; F83-L172 HydrophobicContact CG-CG 4.49Å; F83-L172 HydrophobicContact CZ-CB 4.06Å; F83-V173 HydrophobicContact CE1-CG2 4.06Å; F83-V173 HydrophobicContact CZ-CG2 4.01Å
84	H	89.6	Confident	69.4	Low	120 Å²	120	81 Å²	81	56%	0.556	41%	0.412	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.6	113.6	166	-179.3	66.2	0	0	0	108.2	E104 N106	H84-E104 IonicContact NE2-OE1 3.56Å; H84-N106 PolarHBondContact ND1-OD1 3.41Å
85	C	86.1	Confident	69.6	Low	17 Å²	17	78 Å²	78	12%	0.115	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	126.6	-174.1	-66.8	0	0	0	0	109.6	E104 E105	C85-E104 CarbonylContact O-C 3.58Å; C85-E104 WeakPolarHBondContact O-CA 3.42Å; C85-E105 HydrophobicContact CB-CG 3.81Å; C85-E105 PolarHBondContact N-O 2.9Å; C85-E105 PolarHBondContact O-N 2.89Å
86	R	86.6	Confident	69.9	Low	151 Å²	151	76.2 Å²	76.2	57%	0.57	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117	124.4	166.4	-174.3	-179.8	-62.2	169.7	3.6	109.5	L103 E104	R86-L103 CarbonylContact C-O 3.56Å; R86-L103 WeakPolarHBondContact CA-O 3.37Å; R86-E104 HydrophobicContact CB-CG 4.42Å; R86-E104 HydrophobicContact CG-CG 4.05Å; R86-E104 IonicContact CZ-OE1 3.77Å; R86-E104 IonicContact NE-OE1 2.77Å; R86-E104 PolarHBondContact NE-OE1 2.82Å; R86-E104 IonicContact NH2-OE1 3.86Å; R86-E104 PolarHBondContact NH2-OE1 3.01Å
87	V	82.6	Confident	70.2	Confident	11 Å²	11	80 Å²	80	7%	0.067	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	121.6	-173.8	162.3	0	0	0	0	109.2	E102 L103 T184 F242 V247	V87-E102 WeakPolarHBondContact O-CA 3.38Å; V87-L103 HydrophobicContact CB-CB 4.35Å; V87-L103 PolarHBondContact N-O 2.87Å; V87-L103 PolarHBondContact O-N 3.33Å; V87-T184 HydrophobicContact CG1-CG2 3.58Å; V87-F242 HydrophobicContact CG1-CD2 4.31Å; V87-F242 HydrophobicContact CG2-CB 4.45Å; V87-F242 HydrophobicContact CG2-CD1 4.45Å; V87-F242 HydrophobicContact CG2-CD2 3.86Å; V87-F242 HydrophobicContact CG2-CE2 4.05Å; V87-F242 HydrophobicContact CG2-CG 4.05Å; V87-F242 HydrophobicContact CG2-CZ 4.41Å; V87-V247 HydrophobicContact CG1-CG2 3.73Å
88	I	80.6	Confident	70.6	Confident	72 Å²	72	82 Å²	82	37%	0.369	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	129.4	173.1	-50.6	-176.8	0	0	0	108.3	R100 Q101 E102 T184	I88-R100 HydrophobicContact CG2-CB 3.83Å; I88-R100 HydrophobicContact CG2-CG 4.04Å; I88-Q101 WeakPolarHBondContact CA-O 3.46Å; I88-E102 HydrophobicContact CG1-CG 4.17Å; I88-T184 WeakPolarHBondContact O-CB 3.27Å; I88-T184 PolarHBondContact O-OG1 3.26Å
89	Y	76.8	Confident	71.2	Confident	14 Å²	14	81 Å²	81	6%	0.055	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	168.1	-178.1	69.7	-84.2	0	0	0	111.3	D91 R100 Q101 L103 I186 R240 V247	Y89-D91 HydrophobicContact CE2-CB 4.45Å; Y89-R100 WeakPolarHBondContact O-CA 3.26Å; Y89-Q101 HydrophobicContact CD1-CB 4.31Å; Y89-Q101 WeakPolarHBondContact CD1-O 3.3Å; Y89-Q101 HydrophobicContact CD2-CB 4.46Å; Y89-Q101 HydrophobicContact CE1-CB 3.77Å; Y89-Q101 HydrophobicContact CE2-CB 3.97Å; Y89-Q101 PolarHBondContact N-O 2.83Å; Y89-Q101 PolarHBondContact O-N 3Å; Y89-Q101 PolarHBondContact OH-OE1 2.79Å; Y89-L103 HydrophobicContact CD1-CB 4.19Å; Y89-L103 HydrophobicContact CE1-CB 3.84Å; Y89-I186 HydrophobicContact CD2-CD1 3.6Å; Y89-I186 HydrophobicContact CD2-CG1 3.69Å; Y89-I186 HydrophobicContact CE2-CD1 3.68Å; Y89-I186 HydrophobicContact CE2-CG1 4.16Å; Y89-R240 PolarHBondContact OH-NH1 2.88Å; Y89-V247 HydrophobicContact CD1-CG2 4.19Å; Y89-V247 HydrophobicContact CG-CG2 4.18Å
90	E	71.6	Confident	72	Confident	122 Å²	122	81.3 Å²	81.3	57%	0.57	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.1	115.3	-175.8	-170.1	159.5	-159.6	0	0	111.8	S92	E90-S92 PolarHBondContact O-N 2.81Å
91	D	69	Low	72.6	Confident	5 Å²	5	79 Å²	79	3%	0.027	39%	0.394	C	S	.	.			trans	-92.3	70.9	-176.5	-169.7	-14.8	0	0	0	110.8	Y89 V93 Y94 A95 Q101 I186 R240	Y89-D91 HydrophobicContact CE2-CB 4.45Å; D91-V93 PolarHBondContact O-N 2.92Å; D91-Y94 WeakPolarHBondContact OD1-CB 3.47Å; D91-Y94 PolarHBondContact OD1-N 3.08Å; D91-A95 HydrophobicContact CB-CB 4.33Å; D91-A95 CarbonylContact O-C 3.51Å; D91-A95 PolarHBondContact O-N 2.86Å; D91-A95 VanDerWaalsContact O-N 3.1Å; D91-Q101 PolarHBondContact OD2-NE2 2.8Å; D91-I186 HydrophobicContact CB-CD1 3.86Å; D91-R240 IonicContact OD2-CZ 2.8Å; D91-R240 IonicContact OD2-NH1 3.88Å; D91-R240 PolarHBondContact OD2-NH1 2.94Å; D91-R240 IonicContact OD2-NH2 3.66Å; D91-R240 PolarHBondContact OD2-NH2 3.32Å
92	S	62	Low	72.7	Confident	88 Å²	88	82.7 Å²	82.7	62%	0.615	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-12.2	179.5	58.8	0	0	0	0	114.1	E90	E90-S92 PolarHBondContact O-N 2.81Å
93	V	61.4	Low	72.5	Confident	111 Å²	111	78 Å²	78	67%	0.673	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	-48.9	-173.1	-179.1	0	0	0	0	112.3	D91	D91-V93 PolarHBondContact O-N 2.92Å
94	Y	57	Low	72.5	Confident	113 Å²	113	79.3 Å²	79.3	44%	0.443	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	-22.8	-177.3	-71.6	-71.6	0	0	0	113.6	D91 Q188 E249	D91-Y94 WeakPolarHBondContact OD1-CB 3.47Å; D91-Y94 PolarHBondContact OD1-N 3.08Å; Y94-Q188 PolarHBondContact OH-OE1 2.84Å; Y94-E249 WeakPolarHBondContact CE2-OE2 3.24Å
95	A	58	Low	72.6	Confident	14 Å²	14	73.7 Å²	73.7	12%	0.116	36%	0.363	C	S	.	.			trans	-142.9	52.4	-175.9	0	0	0	0	0	114.8	D91 L97 R98	D91-A95 HydrophobicContact CB-CB 4.33Å; D91-A95 CarbonylContact O-C 3.51Å; D91-A95 PolarHBondContact O-N 2.86Å; D91-A95 VanDerWaalsContact O-N 3.1Å; A95-L97 PolarHBondContact O-N 2.93Å; A95-R98 HydrophobicContact CB-CB 3.98Å; A95-R98 HydrophobicContact CB-CG 4Å; A95-R98 PolarHBondContact O-N 3.11Å
96	P	58.6	Low	72.9	Confident	95 Å²	95	76.6 Å²	76.6	62%	0.617	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-14.6	-179.3	26.1	-36	0	0	0	114.6
97	L	56.3	Low	73.2	Confident	177 Å²	177	69.6 Å²	69.6	93%	0.927	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-8.5	173.6	-63.7	176	0	0	0	114.3	A95	A95-L97 PolarHBondContact O-N 2.93Å
98	R	60.2	Low	73.7	Confident	143 Å²	143	69.2 Å²	69.2	54%	0.54	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-17.1	173.4	-70.5	-172.4	177	171.2	-1.7	112.8	A95 G126	A95-R98 HydrophobicContact CB-CB 3.98Å; A95-R98 HydrophobicContact CB-CG 4Å; A95-R98 PolarHBondContact O-N 3.11Å; R98-G126 PolarHBondContact NH1-O 3.1Å
99	G	65.9	Low	74.4	Confident	26 Å²	26	66 Å²	66	27%	0.268	33%	0.333	S	S	.	.			trans	66.2	-140.7	-177.6	0	0	0	0	0	112.7	Q101	G99-Q101 PolarHBondContact O-N 2.85Å
100	R	71.1	Confident	75.1	Confident	192 Å²	192	68.4 Å²	68.4	73%	0.725	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.2	128.5	178.5	-76.8	176.9	170.3	-169.5	-4.6	111.5	I88 Y89	I88-R100 HydrophobicContact CG2-CB 3.83Å; I88-R100 HydrophobicContact CG2-CG 4.04Å; Y89-R100 WeakPolarHBondContact O-CA 3.26Å
101	Q	76.2	Confident	76	Confident	24 Å²	24	64.4 Å²	64.4	11%	0.112	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	148.8	172.1	-69.4	175.5	50.9	0	0	109.3	I88 Y89 D91 G99 R240	I88-Q101 WeakPolarHBondContact CA-O 3.46Å; Y89-Q101 HydrophobicContact CD1-CB 4.31Å; Y89-Q101 WeakPolarHBondContact CD1-O 3.3Å; Y89-Q101 HydrophobicContact CD2-CB 4.46Å; Y89-Q101 HydrophobicContact CE1-CB 3.77Å; Y89-Q101 HydrophobicContact CE2-CB 3.97Å; Y89-Q101 PolarHBondContact N-O 2.83Å; Y89-Q101 PolarHBondContact O-N 3Å; Y89-Q101 PolarHBondContact OH-OE1 2.79Å; D91-Q101 PolarHBondContact OD2-NE2 2.8Å; G99-Q101 PolarHBondContact O-N 2.85Å; Q101-R240 VanDerWaalsContact OE1-NH1 3.1Å
102	E	79.1	Confident	77	Confident	112 Å²	112	72.8 Å²	72.8	52%	0.523	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	130.3	173.3	-51.5	-159.7	156.1	0	0	109.2	V87 I88	V87-E102 WeakPolarHBondContact O-CA 3.38Å; I88-E102 HydrophobicContact CG1-CG 4.17Å
103	L	84.4	Confident	78.3	Confident	16 Å²	16	72.8 Å²	72.8	8%	0.084	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	134.2	164.8	175.3	66.1	0	0	0	107.4	R86 V87 Y89 V120 F242 V247	R86-L103 CarbonylContact C-O 3.56Å; R86-L103 WeakPolarHBondContact CA-O 3.37Å; V87-L103 HydrophobicContact CB-CB 4.35Å; V87-L103 PolarHBondContact N-O 2.87Å; V87-L103 PolarHBondContact O-N 3.33Å; Y89-L103 HydrophobicContact CD1-CB 4.19Å; Y89-L103 HydrophobicContact CE1-CB 3.84Å; L103-V120 HydrophobicContact CD1-CG1 4.42Å; L103-F242 HydrophobicContact CD2-CB 4.07Å; L103-V247 HydrophobicContact CD2-CG1 4.15Å; L103-V247 HydrophobicContact CD2-CG2 4.13Å
104	E	88.9	Confident	79.8	Confident	42 Å²	42	70.5 Å²	70.5	20%	0.196	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	142.4	167.7	-62.6	-171.7	120.2	0	0	107.8	H84 C85 R86 P121 H124	H84-E104 IonicContact NE2-OE1 3.56Å; C85-E104 CarbonylContact O-C 3.58Å; C85-E104 WeakPolarHBondContact O-CA 3.42Å; R86-E104 HydrophobicContact CB-CG 4.42Å; R86-E104 HydrophobicContact CG-CG 4.05Å; R86-E104 IonicContact CZ-OE1 3.77Å; R86-E104 IonicContact NE-OE1 2.77Å; R86-E104 PolarHBondContact NE-OE1 2.82Å; R86-E104 IonicContact NH2-OE1 3.86Å; R86-E104 PolarHBondContact NH2-OE1 3.01Å; E104-P121 HydrophobicContact CB-CG 4.3Å; E104-P121 WeakPolarHBondContact O-CD 3.42Å; E104-P121 WeakPolarHBondContact O-CG 3.31Å; E104-H124 IonicContact OE2-CE1 3.64Å
105	E	91.7	Very high	81.7	Confident	2 Å²	2	65.7 Å²	65.7	1%	0.009	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	158.7	175.7	60.5	-179.5	-145	0	0	110.4	C85 V107 I118 F242	C85-E105 HydrophobicContact CB-CG 3.81Å; C85-E105 PolarHBondContact N-O 2.9Å; C85-E105 PolarHBondContact O-N 2.89Å; E105-V107 HydrophobicContact CG-CG2 4.16Å; E105-V107 WeakPolarHBondContact OE1-CG2 3.44Å; E105-I118 HydrophobicContact CB-CG2 4.09Å; E105-I118 HydrophobicContact CG-CG2 4.37Å; E105-F242 PolarHBondContact OE2-N 3.45Å
106	N	92.8	Very high	83.4	Confident	78 Å²	78	65.1 Å²	65.1	42%	0.417	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	122.9	171.6	-56.4	-68	0	0	0	109.1	F83 H84 I118 S119	F83-N106 CarbonylContact O-C 3.59Å; F83-N106 WeakPolarHBondContact O-CA 3.4Å; H84-N106 PolarHBondContact ND1-OD1 3.41Å; N106-I118 WeakPolarHBondContact O-CA 3.41Å; N106-S119 PolarHBondContact N-O 2.81Å; N106-S119 VanDerWaalsContact N-O 3.08Å; N106-S119 PolarHBondContact O-N 2.8Å
107	V	93.6	Very high	85.2	Confident	4 Å²	4	63.6 Å²	63.6	2%	0.024	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	116.3	-175.3	-174.9	0	0	0	0	109.3	L82 F83 E105 I109 Q117 I118 L168 L172	L82-V107 WeakPolarHBondContact CA-O 3.32Å; F83-V107 HydrophobicContact CB-CB 4.47Å; F83-V107 PolarHBondContact N-O 2.95Å; F83-V107 PolarHBondContact O-N 2.88Å; E105-V107 HydrophobicContact CG-CG2 4.16Å; E105-V107 WeakPolarHBondContact OE1-CG2 3.44Å; V107-I109 HydrophobicContact CG1-CD1 4.26Å; V107-I109 HydrophobicContact CG1-CG1 3.87Å; V107-Q117 CarbonylContact C-O 3.51Å; V107-Q117 WeakPolarHBondContact CA-O 3.44Å; V107-I118 HydrophobicContact CG1-CG1 4.29Å; V107-I118 HydrophobicContact CG2-CG1 4.33Å; V107-I118 HydrophobicContact CG2-CG2 4.3Å; V107-L168 HydrophobicContact CG1-CD2 4.39Å; V107-L172 HydrophobicContact CB-CD1 4.36Å; V107-L172 HydrophobicContact CG1-CD1 4.23Å
108	G	93.7	Very high	87.1	Confident	3 Å²	3	55.3 Å²	55.3	3%	0.031	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	116.4	173.5	0	0	0	0	0	111.4	S81 Y110 E116 Q117	S81-G108 CarbonylContact O-C 3.52Å; S81-G108 WeakPolarHBondContact O-CA 3.3Å; G108-Y110 WeakPolarHBondContact O-CD2 3.46Å; G108-Y110 WeakPolarHBondContact O-CE2 3.39Å; G108-E116 CarbonylContact O-C 3.58Å; G108-E116 VanDerWaalsContact O-CA 3.23Å; G108-E116 WeakPolarHBondContact O-CA 3.46Å; G108-E116 WeakPolarHBondContact O-CB 3.47Å; G108-Q117 PolarHBondContact N-O 2.97Å; G108-Q117 PolarHBondContact O-N 2.8Å
109	I	93.3	Very high	88.7	Confident	4 Å²	4	50.1 Å²	50.1	2%	0.021	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	117.5	-175	-53.6	-176.9	0	0	0	110.5	S81 F83 V107 L111 E116 P165 L168 W169 L172	S81-I109 WeakPolarHBondContact CB-O 3.39Å; S81-I109 PolarHBondContact O-N 3.37Å; F83-I109 HydrophobicContact CD2-CD1 4.29Å; F83-I109 HydrophobicContact CE2-CD1 4.12Å; V107-I109 HydrophobicContact CG1-CD1 4.26Å; V107-I109 HydrophobicContact CG1-CG1 3.87Å; I109-L111 HydrophobicContact CG2-CD2 3.69Å; I109-L111 HydrophobicContact CG2-CG 4.4Å; I109-E116 HydrophobicContact CG1-CB 4.46Å; I109-P165 HydrophobicContact CG2-CB 3.66Å; I109-P165 WeakPolarHBondContact CG2-O 3.44Å; I109-L168 HydrophobicContact CD1-CB 4.16Å; I109-L168 HydrophobicContact CD1-CD2 3.85Å; I109-L168 HydrophobicContact CD1-CG 3.8Å; I109-L168 HydrophobicContact CG1-CD2 4.46Å; I109-W169 HydrophobicContact CD1-CB 4.11Å; I109-W169 HydrophobicContact CG2-CB 4.38Å; I109-L172 HydrophobicContact CD1-CD1 3.86Å
110	Y	92.6	Very high	90.1	Very high	66 Å²	66	49.2 Å²	49.2	26%	0.259	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	94.3	-174.8	-60.5	-89.2	0	0	0	110.5	G108 E112 N114 Y115	G108-Y110 WeakPolarHBondContact O-CD2 3.46Å; G108-Y110 WeakPolarHBondContact O-CE2 3.39Å; Y110-E112 PolarHBondContact O-N 2.92Å; Y110-N114 WeakPolarHBondContact O-CA 3.49Å; Y110-N114 PolarHBondContact O-N 2.92Å; Y110-Y115 WeakPolarHBondContact CA-O 3.35Å; Y110-Y115 VanDerWaalsContact CB-CE1 3.4Å; Y110-Y115 WeakPolarHBondContact CB-O 3.47Å; Y110-Y115 HydrophobicContact CD1-CE1 4.17Å; Y110-Y115 AromaticContact CD1-CZ 3.96Å; Y110-Y115 HydrophobicContact CD2-CD1 4.33Å; Y110-Y115 AromaticContact CD2-CD2 3.91Å; Y110-Y115 HydrophobicContact CD2-CD2 3.91Å; Y110-Y115 AromaticContact CD2-CE1 3.81Å; Y110-Y115 HydrophobicContact CD2-CE1 3.81Å; Y110-Y115 AromaticContact CD2-CE2 3.37Å; Y110-Y115 HydrophobicContact CD2-CE2 3.37Å; Y110-Y115 HydrophobicContact CD2-CG 4.36Å; Y110-Y115 AromaticContact CD2-CZ 3.29Å; Y110-Y115 AromaticContact CE2-CE2 3.7Å; Y110-Y115 HydrophobicContact CE2-CE2 3.7Å; Y110-Y115 AromaticContact CE2-CZ 3.76Å; Y110-Y115 HydrophobicContact CG-CD1 4.19Å; Y110-Y115 AromaticContact CG-CE1 3.52Å; Y110-Y115 HydrophobicContact CG-CE1 3.52Å; Y110-Y115 AromaticContact CG-CE2 3.99Å; Y110-Y115 HydrophobicContact CG-CE2 3.99Å; Y110-Y115 AromaticContact CG-CZ 3.41Å; Y110-Y115 VanDerWaalsContact CG-CZ 3.41Å; Y110-Y115 PolarHBondContact N-O 3.07Å; Y110-Y115 PolarHBondContact O-N 2.8Å
111	L	90.8	Very high	91.1	Very high	37 Å²	37	42.6 Å²	42.6	19%	0.194	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-20.5	-169.6	-61.3	-177.5	0	0	0	114.8	I77 I109 P165 R166 W169	I77-L111 HydrophobicContact CG2-CD1 4.32Å; I109-L111 HydrophobicContact CG2-CD2 3.69Å; I109-L111 HydrophobicContact CG2-CG 4.4Å; L111-P165 HydrophobicContact CD2-CB 3.76Å; L111-R166 HydrophobicContact CD2-CG 3.93Å; L111-W169 HydrophobicContact CD1-CG 4.39Å; L111-W169 HydrophobicContact CD2-CB 4.38Å
112	E	88.6	Confident	91.5	Very high	182 Å²	182	46.9 Å²	46.9	85%	0.85	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-48.7	178.2	-59.4	-160	159.7	0	0	111.3	Y110 N114	Y110-E112 PolarHBondContact O-N 2.92Å; E112-N114 VanDerWaalsContact C-N 3.3Å; E112-N114 PolarHBondContact O-N 2.87Å
113	E	91.1	Very high	91.6	Very high	87 Å²	87	43.8 Å²	43.8	41%	0.407	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-11.8	177.8	-58.7	102.1	132.4	0	0	114	Y115 F206	E113-Y115 HydrophobicContact CB-CD1 3.55Å; E113-Y115 HydrophobicContact CB-CE1 3.65Å; E113-Y115 HydrophobicContact CG-CE1 4.2Å; E113-F206 HydrophobicContact CB-CE1 4.27Å; E113-F206 HydrophobicContact CB-CZ 3.75Å; E113-F206 HydrophobicContact CG-CE1 4.43Å; E113-F206 HydrophobicContact CG-CZ 4.18Å
114	N	93	Very high	90.8	Very high	64 Å²	64	50.3 Å²	50.3	34%	0.342	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.6	50	177.7	-167.9	55.6	0	0	0	113	Y110 E112 F137	Y110-N114 WeakPolarHBondContact O-CA 3.49Å; Y110-N114 PolarHBondContact O-N 2.92Å; E112-N114 VanDerWaalsContact C-N 3.3Å; E112-N114 PolarHBondContact O-N 2.87Å; N114-F137 VanDerWaalsContact ND2-CB 3.34Å; N114-F137 WeakPolarHBondContact ND2-CB 3.42Å; N114-F137 WeakPolarHBondContact O-CB 3.5Å; N114-F137 PolarHBondContact O-N 2.82Å
115	Y	95	Very high	89.7	Confident	12 Å²	12	55.1 Å²	55.1	5%	0.047	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	164.1	168.1	78.2	-78.2	0	0	0	111.1	Y110 E113 V134 H135 F206	Y110-Y115 WeakPolarHBondContact CA-O 3.35Å; Y110-Y115 VanDerWaalsContact CB-CE1 3.4Å; Y110-Y115 WeakPolarHBondContact CB-O 3.47Å; Y110-Y115 HydrophobicContact CD1-CE1 4.17Å; Y110-Y115 AromaticContact CD1-CZ 3.96Å; Y110-Y115 HydrophobicContact CD2-CD1 4.33Å; Y110-Y115 AromaticContact CD2-CD2 3.91Å; Y110-Y115 HydrophobicContact CD2-CD2 3.91Å; Y110-Y115 AromaticContact CD2-CE1 3.81Å; Y110-Y115 HydrophobicContact CD2-CE1 3.81Å; Y110-Y115 AromaticContact CD2-CE2 3.37Å; Y110-Y115 HydrophobicContact CD2-CE2 3.37Å; Y110-Y115 HydrophobicContact CD2-CG 4.36Å; Y110-Y115 AromaticContact CD2-CZ 3.29Å; Y110-Y115 AromaticContact CE2-CE2 3.7Å; Y110-Y115 HydrophobicContact CE2-CE2 3.7Å; Y110-Y115 AromaticContact CE2-CZ 3.76Å; Y110-Y115 HydrophobicContact CG-CD1 4.19Å; Y110-Y115 AromaticContact CG-CE1 3.52Å; Y110-Y115 HydrophobicContact CG-CE1 3.52Å; Y110-Y115 AromaticContact CG-CE2 3.99Å; Y110-Y115 HydrophobicContact CG-CE2 3.99Å; Y110-Y115 AromaticContact CG-CZ 3.41Å; Y110-Y115 VanDerWaalsContact CG-CZ 3.41Å; Y110-Y115 PolarHBondContact N-O 3.07Å; Y110-Y115 PolarHBondContact O-N 2.8Å; E113-Y115 HydrophobicContact CB-CD1 3.55Å; E113-Y115 HydrophobicContact CB-CE1 3.65Å; E113-Y115 HydrophobicContact CG-CE1 4.2Å; Y115-V134 HydrophobicContact CD2-CG1 4.33Å; Y115-H135 WeakPolarHBondContact CA-O 3.38Å; Y115-H135 VanDerWaalsContact CB-O 3.28Å; Y115-H135 WeakPolarHBondContact CB-O 3.42Å; Y115-F206 AromaticContact CD1-CD1 3.77Å; Y115-F206 HydrophobicContact CD1-CD1 3.77Å; Y115-F206 HydrophobicContact CD1-CD2 4.03Å; Y115-F206 AromaticContact CD1-CE1 3.67Å; Y115-F206 HydrophobicContact CD1-CE1 3.67Å; Y115-F206 AromaticContact CD1-CE2 3.93Å; Y115-F206 HydrophobicContact CD1-CE2 3.93Å; Y115-F206 AromaticContact CD1-CG 3.96Å; Y115-F206 HydrophobicContact CD1-CG 3.96Å; Y115-F206 AromaticContact CD1-CZ 3.77Å; Y115-F206 HydrophobicContact CD1-CZ 3.77Å; Y115-F206 HydrophobicContact CD2-CB 4.22Å; Y115-F206 HydrophobicContact CD2-CD1 4.23Å; Y115-F206 HydrophobicContact CD2-CG 4.09Å; Y115-F206 AromaticContact CE1-CD1 3.54Å; Y115-F206 HydrophobicContact CE1-CD1 3.54Å; Y115-F206 AromaticContact CE1-CE1 3.39Å; Y115-F206 HydrophobicContact CE1-CE1 3.39Å; Y115-F206 HydrophobicContact CE1-CE2 4.49Å; Y115-F206 HydrophobicContact CE1-CG 4.2Å; Y115-F206 AromaticContact CE1-CZ 3.92Å; Y115-F206 HydrophobicContact CE1-CZ 3.92Å; Y115-F206 HydrophobicContact CE2-CB 4.43Å; Y115-F206 AromaticContact CE2-CD1 4Å; Y115-F206 HydrophobicContact CE2-CD1 4Å; Y115-F206 HydrophobicContact CE2-CG 4.28Å; Y115-F206 HydrophobicContact CG-CB 4.47Å; Y115-F206 HydrophobicContact CG-CD1 4.12Å; Y115-F206 HydrophobicContact CG-CD2 4.05Å; Y115-F206 HydrophobicContact CG-CE1 4.45Å; Y115-F206 HydrophobicContact CG-CE2 4.36Å; Y115-F206 AromaticContact CG-CG 3.93Å; Y115-F206 HydrophobicContact CG-CG 3.93Å; Y115-F206 AromaticContact CZ-CD1 3.66Å; Y115-F206 AromaticContact CZ-CE1 3.94Å
116	E	94.9	Very high	88.2	Confident	1 Å²	1	58.1 Å²	58.1	1%	0.005	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	158.8	166.3	79.2	-142.9	172.9	0	0	110.6	G108 I109 V134 H135 F137 L168	G108-E116 CarbonylContact O-C 3.58Å; G108-E116 VanDerWaalsContact O-CA 3.23Å; G108-E116 WeakPolarHBondContact O-CA 3.46Å; G108-E116 WeakPolarHBondContact O-CB 3.47Å; I109-E116 HydrophobicContact CG1-CB 4.46Å; E116-V134 WeakPolarHBondContact O-CA 3.42Å; E116-H135 HydrophobicContact CG-CB 4.05Å; E116-H135 PolarHBondContact N-O 2.66Å; E116-H135 PolarHBondContact O-N 3.18Å; E116-H135 IonicContact OE1-CE1 2.63Å; E116-H135 IonicContact OE1-CG 3.94Å; E116-H135 IonicContact OE1-ND1 3.87Å; E116-H135 PolarHBondContact OE1-ND1 2.86Å; E116-F137 VanDerWaalsContact CD-CE2 3.48Å; E116-F137 HydrophobicContact CG-CE2 4.12Å; E116-F137 WeakPolarHBondContact OE1-CZ 3.46Å; E116-F137 WeakPolarHBondContact OE2-CE2 3.38Å; E116-L168 WeakPolarHBondContact OE2-CD2 3.38Å
117	Q	95.5	Very high	87.4	Confident	63 Å²	63	56.2 Å²	56.2	29%	0.294	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	129.6	177.1	179.8	177.3	-24.6	0	0	109.3	V107 G108 I133 V134	V107-Q117 CarbonylContact C-O 3.51Å; V107-Q117 WeakPolarHBondContact CA-O 3.44Å; G108-Q117 PolarHBondContact N-O 2.97Å; G108-Q117 PolarHBondContact O-N 2.8Å; Q117-I133 CarbonylContact C-O 3.58Å; Q117-I133 VanDerWaalsContact CA-O 3.26Å; Q117-I133 WeakPolarHBondContact CA-O 3.37Å; Q117-V134 HydrophobicContact CB-CG2 4.14Å; Q117-V134 HydrophobicContact CG-CG2 4.01Å
118	I	95.9	Very high	87.1	Confident	4 Å²	4	56.8 Å²	56.8	2%	0.021	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	119.5	177	-52.5	171.4	0	0	0	107.9	E105 N106 V107 V120 I133	E105-I118 HydrophobicContact CB-CG2 4.09Å; E105-I118 HydrophobicContact CG-CG2 4.37Å; N106-I118 WeakPolarHBondContact O-CA 3.41Å; V107-I118 HydrophobicContact CG1-CG1 4.29Å; V107-I118 HydrophobicContact CG2-CG1 4.33Å; V107-I118 HydrophobicContact CG2-CG2 4.3Å; I118-V120 HydrophobicContact CG2-CG2 4.35Å; I118-I133 HydrophobicContact CB-CB 4.25Å; I118-I133 PolarHBondContact N-O 2.73Å; I118-I133 PolarHBondContact O-N 2.66Å
119	S	95.8	Very high	87	Confident	33 Å²	33	58.8 Å²	58.8	23%	0.231	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	108.3	175.9	-66.8	0	0	0	0	110.1	N106 D132	N106-S119 PolarHBondContact N-O 2.81Å; N106-S119 VanDerWaalsContact N-O 3.08Å; N106-S119 PolarHBondContact O-N 2.8Å; S119-D132 VanDerWaalsContact CB-OD1 3.26Å; S119-D132 WeakPolarHBondContact CB-OD1 3.46Å; S119-D132 PolarHBondContact OG-OD1 2.86Å
120	V	93.9	Very high	87.1	Confident	7 Å²	7	59.4 Å²	59.4	4%	0.042	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	113.8	176.7	-175.7	0	0	0	0	108.9	L103 I118 A131 I133 R240 H241	L103-V120 HydrophobicContact CD1-CG1 4.42Å; I118-V120 HydrophobicContact CG2-CG2 4.35Å; V120-A131 WeakPolarHBondContact CA-O 3.47Å; V120-A131 WeakPolarHBondContact CB-O 3.23Å; V120-A131 PolarHBondContact N-O 2.81Å; V120-A131 PolarHBondContact O-N 2.92Å; V120-I133 HydrophobicContact CG2-CD1 4.21Å; V120-R240 WeakPolarHBondContact CG1-O 3.38Å; V120-H241 HydrophobicContact CG2-CB 3.86Å
121	P	91.6	Very high	87.3	Confident	54 Å²	54	56.2 Å²	56.2	35%	0.351	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-70.6	170.9	-179.5	33.3	-35.4	0	0	0	111.7	E104 P123	E104-P121 HydrophobicContact CB-CG 4.3Å; E104-P121 WeakPolarHBondContact O-CD 3.42Å; E104-P121 WeakPolarHBondContact O-CG 3.31Å; P121-P123 VanDerWaalsContact O-CD 3.31Å; P121-P123 WeakPolarHBondContact O-CD 3.46Å
122	V	86.3	Confident	87.6	Confident	114 Å²	114	56.1 Å²	56.1	69%	0.691	32%	0.315	S	S	*	.	P	Polyproline II helix	trans	-60.7	117.5	171.9	-175.8	0	0	0	0	109.1	P130	V122-P130 HydrophobicContact CG2-CB 4.2Å; V122-P130 HydrophobicContact CG2-CG 4.25Å
123	P	79.5	Confident	88	Confident	46 Å²	46	47.5 Å²	47.5	30%	0.299	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-72	139.7	-176.1	27.6	-33	0	0	0	111.1	P121 F125 S128	P121-P123 VanDerWaalsContact O-CD 3.31Å; P121-P123 WeakPolarHBondContact O-CD 3.46Å; P123-F125 PolarHBondContact O-N 3.21Å; P123-S128 WeakPolarHBondContact CG-O 3.49Å
124	H	69.1	Low	88.3	Confident	153 Å²	153	43.5 Å²	43.5	71%	0.708	26%	0.256	S	S	*	.	S	Bend	trans	-56	-19.9	178.1	-65.8	99.7	0	0	0	114.3	E104	E104-H124 IonicContact OE2-CE1 3.64Å
125	F	64.4	Low	88.5	Confident	144 Å²	144	40.5 Å²	40.5	63%	0.632	24%	0.24	S	C	*	.	S	Bend	trans	-134.7	133.5	178.3	-54.9	-76.9	0	0	0	110.8	P123 G127	P123-F125 PolarHBondContact O-N 3.21Å; F125-G127 PolarHBondContact O-N 3.47Å
126	G	61.9	Low	88.6	Confident	65 Å²	65	39.9 Å²	39.9	67%	0.67	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.9	125.7	173.5	0	0	0	0	0	111.7	R98	R98-G126 PolarHBondContact NH1-O 3.1Å
127	G	74.6	Confident	88.6	Confident	37 Å²	37	41.5 Å²	41.5	38%	0.381	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	165.2	-25.7	-173.1	0	0	0	0	0	114.1	F125	F125-G127 PolarHBondContact O-N 3.47Å
128	S	86.9	Confident	88.5	Confident	16 Å²	16	45 Å²	45	11%	0.112	26%	0.261	C	S	.	.	S	Bend	trans	-130.5	157.5	165.2	-173.9	0	0	0	0	109.5	P123 R238 R240	P123-S128 WeakPolarHBondContact CG-O 3.49Å; S128-R238 CarbonylContact C-O 3.56Å; S128-R238 VanDerWaalsContact CA-O 3.32Å; S128-R238 WeakPolarHBondContact CA-O 3.39Å; S128-R238 PolarHBondContact OG-O 2.9Å; S128-R238 VanDerWaalsContact OG-O 3.11Å; S128-R240 PolarHBondContact OG-N 3.29Å
129	D	92.4	Very high	88.4	Confident	45 Å²	45	50.1 Å²	50.1	24%	0.241	28%	0.28	C	S	.	.			trans	-92.1	146.6	165.9	-57.4	-72.6	0	0	0	109	A148 H237 R238	D129-A148 HydrophobicContact CB-CB 4.43Å; D129-H237 VanDerWaalsContact OD2-CB 3.32Å; D129-H237 WeakPolarHBondContact OD2-CB 3.27Å; D129-R238 PolarHBondContact N-O 2.95Å; D129-R238 PolarHBondContact OD2-N 2.91Å
130	P	94.7	Very high	88.4	Confident	17 Å²	17	49.9 Å²	49.9	11%	0.11	28%	0.283	C	S	.	.			trans	-71.4	142.9	173.4	28.3	-33.6	0	0	0	111.6	V122 I147 A148	V122-P130 HydrophobicContact CG2-CB 4.2Å; V122-P130 HydrophobicContact CG2-CG 4.25Å; P130-I147 HydrophobicContact CB-CB 4.32Å; P130-I147 HydrophobicContact CB-CD1 4.42Å; P130-I147 HydrophobicContact CG-CB 4.13Å; P130-I147 HydrophobicContact CG-CG2 4.48Å; P130-I147 WeakPolarHBondContact O-CB 3.45Å; P130-I147 PolarHBondContact O-N 2.82Å; P130-A148 HydrophobicContact CG-CB 4.39Å
131	A	96.5	Very high	88.6	Confident	0 Å²	0	51 Å²	51	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	148.1	-176.2	0	0	0	0	0	114	V120 I133 Y145 I239	V120-A131 WeakPolarHBondContact CA-O 3.47Å; V120-A131 WeakPolarHBondContact CB-O 3.23Å; V120-A131 PolarHBondContact N-O 2.81Å; V120-A131 PolarHBondContact O-N 2.92Å; A131-I133 HydrophobicContact CB-CG1 4.42Å; A131-Y145 WeakPolarHBondContact CA-O 3.49Å; A131-Y145 WeakPolarHBondContact CB-O 3.41Å; A131-I239 HydrophobicContact CB-CD1 3.79Å; A131-I239 HydrophobicContact CB-CG1 4.04Å; A131-I239 HydrophobicContact CB-CG2 3.72Å
132	D	97.4	Very high	88.8	Confident	35 Å²	35	48.6 Å²	48.6	19%	0.187	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	131.5	159.8	-74.4	-57.8	0	0	0	109	S119 Y145 L210	S119-D132 VanDerWaalsContact CB-OD1 3.26Å; S119-D132 WeakPolarHBondContact CB-OD1 3.46Å; S119-D132 PolarHBondContact OG-OD1 2.86Å; D132-Y145 HydrophobicContact CB-CD1 4.19Å; D132-Y145 PolarHBondContact N-O 3.34Å; D132-Y145 PolarHBondContact O-N 2.76Å; D132-L210 HydrophobicContact CB-CD1 3.66Å
133	I	97.4	Very high	89.4	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	137.5	-176.1	-46.5	174.9	0	0	0	108.4	Q117 I118 V120 A131 T142 A143 Y144 I239 H241	Q117-I133 CarbonylContact C-O 3.58Å; Q117-I133 VanDerWaalsContact CA-O 3.26Å; Q117-I133 WeakPolarHBondContact CA-O 3.37Å; I118-I133 HydrophobicContact CB-CB 4.25Å; I118-I133 PolarHBondContact N-O 2.73Å; I118-I133 PolarHBondContact O-N 2.66Å; V120-I133 HydrophobicContact CG2-CD1 4.21Å; A131-I133 HydrophobicContact CB-CG1 4.42Å; I133-T142 HydrophobicContact CG2-CG2 4.02Å; I133-A143 CarbonylContact C-O 3.54Å; I133-A143 VanDerWaalsContact CA-O 3.3Å; I133-A143 WeakPolarHBondContact CA-O 3.38Å; I133-Y144 HydrophobicContact CB-CD1 4.49Å; I133-Y144 HydrophobicContact CD1-CD1 3.86Å; I133-Y144 HydrophobicContact CD1-CE1 3.86Å; I133-Y144 HydrophobicContact CG1-CD1 3.8Å; I133-Y144 HydrophobicContact CG1-CE1 4.25Å; I133-Y144 HydrophobicContact CG2-CD1 3.99Å; I133-Y144 HydrophobicContact CG2-CE1 4.03Å; I133-I239 HydrophobicContact CD1-CG2 4.05Å; I133-H241 HydrophobicContact CD1-CB 3.63Å; I133-H241 VanDerWaalsContact CD1-CG 3.43Å
134	V	97.6	Very high	90.2	Very high	3 Å²	3	41.3 Å²	41.3	2%	0.018	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	129.4	174.5	167.9	0	0	0	0	110.3	Y115 E116 Q117 T142 A143 F206 I207 L210	Y115-V134 HydrophobicContact CD2-CG1 4.33Å; E116-V134 WeakPolarHBondContact O-CA 3.42Å; Q117-V134 HydrophobicContact CB-CG2 4.14Å; Q117-V134 HydrophobicContact CG-CG2 4.01Å; V134-T142 WeakPolarHBondContact O-CA 3.06Å; V134-A143 PolarHBondContact N-O 2.86Å; V134-A143 PolarHBondContact O-N 2.87Å; V134-F206 HydrophobicContact CG1-CB 4.03Å; V134-I207 HydrophobicContact CG1-CG1 4.06Å; V134-L210 HydrophobicContact CB-CD2 4.21Å; V134-L210 HydrophobicContact CG2-CD2 3.95Å
135	H	97	Very high	91.6	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.005	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	106.3	171.9	-61.4	157.9	0	0	0	110	Y115 E116 F137 T142 L157 V162 E243	Y115-H135 WeakPolarHBondContact CA-O 3.38Å; Y115-H135 VanDerWaalsContact CB-O 3.28Å; Y115-H135 WeakPolarHBondContact CB-O 3.42Å; E116-H135 HydrophobicContact CG-CB 4.05Å; E116-H135 PolarHBondContact N-O 2.66Å; E116-H135 PolarHBondContact O-N 3.18Å; E116-H135 IonicContact OE1-CE1 2.63Å; E116-H135 IonicContact OE1-CG 3.94Å; E116-H135 IonicContact OE1-ND1 3.87Å; E116-H135 PolarHBondContact OE1-ND1 2.86Å; H135-F137 HydrophobicContact CB-CD2 4.16Å; H135-F137 HydrophobicContact CB-CE2 3.59Å; H135-F137 HydrophobicContact CB-CZ 4.02Å; H135-F137 WeakPolarHBondContact O-CD2 3.2Å; H135-F137 PolarHBondContact O-N 2.81Å; H135-T142 VanDerWaalsContact CD2-CG2 3.44Å; H135-T142 WeakPolarHBondContact CD2-CG2 3.28Å; H135-T142 PolarHBondContact CD2-OG1 2.89Å; H135-T142 WeakPolarHBondContact NE2-CG2 3.41Å; H135-T142 PolarHBondContact NE2-OG1 2.86Å; H135-L157 HydrophobicContact CB-CD1 3.87Å; H135-V162 WeakPolarHBondContact ND1-CG1 3.49Å; H135-E243 IonicContact CE1-OE1 2.72Å; H135-E243 IonicContact CE1-OE2 2.62Å
136	D	96.5	Very high	93.1	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	94.3	172.5	-175.2	-32.6	0	0	0	108.3	Q138 R139 G140 L141 I207	D136-Q138 VanDerWaalsContact C-N 3.25Å; D136-Q138 PolarHBondContact O-N 2.91Å; D136-Q138 WeakPolarHBondContact OD1-CA 3.38Å; D136-Q138 WeakPolarHBondContact OD1-CB 3.35Å; D136-Q138 PolarHBondContact OD1-N 2.85Å; D136-Q138 VanDerWaalsContact OD1-N 3.07Å; D136-R139 HydrophobicContact CB-CB 4.37Å; D136-R139 PolarHBondContact O-N 2.82Å; D136-R139 WeakPolarHBondContact OD1-CB 3.22Å; D136-R139 WeakPolarHBondContact OD1-CG 3.37Å; D136-R139 PolarHBondContact OD1-N 3.22Å; D136-R139 VanDerWaalsContact OD2-CD 3.3Å; D136-R139 WeakPolarHBondContact OD2-CD 3.45Å; D136-R139 IonicContact OD2-NE 3.85Å; D136-G140 WeakPolarHBondContact O-CA 3.44Å; D136-G140 PolarHBondContact O-N 2.85Å; D136-L141 PolarHBondContact N-O 3.24Å; D136-L141 PolarHBondContact O-N 3.39Å; D136-L141 VanDerWaalsContact O-N 3.1Å; D136-I207 HydrophobicContact CB-CD1 3.99Å; D136-I207 HydrophobicContact CB-CG1 4.44Å
137	F	95.4	Very high	94.7	Very high	35 Å²	35	29.1 Å²	29.1	15%	0.154	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-16.7	179.2	-62.4	-100.6	0	0	0	112.4	N114 E116 H135 L157 V162 M163 P165	N114-F137 VanDerWaalsContact ND2-CB 3.34Å; N114-F137 WeakPolarHBondContact ND2-CB 3.42Å; N114-F137 WeakPolarHBondContact O-CB 3.5Å; N114-F137 PolarHBondContact O-N 2.82Å; E116-F137 VanDerWaalsContact CD-CE2 3.48Å; E116-F137 HydrophobicContact CG-CE2 4.12Å; E116-F137 WeakPolarHBondContact OE1-CZ 3.46Å; E116-F137 WeakPolarHBondContact OE2-CE2 3.38Å; H135-F137 HydrophobicContact CB-CD2 4.16Å; H135-F137 HydrophobicContact CB-CE2 3.59Å; H135-F137 HydrophobicContact CB-CZ 4.02Å; H135-F137 WeakPolarHBondContact O-CD2 3.2Å; H135-F137 PolarHBondContact O-N 2.81Å; F137-L157 HydrophobicContact CB-CD2 4.33Å; F137-L157 HydrophobicContact CD1-CD2 3.57Å; F137-L157 HydrophobicContact CE1-CD2 4Å; F137-L157 HydrophobicContact CG-CD2 3.91Å; F137-V162 HydrophobicContact CE1-CB 4.5Å; F137-V162 HydrophobicContact CE1-CG1 3.86Å; F137-V162 HydrophobicContact CZ-CG1 3.63Å; F137-M163 WeakPolarHBondContact CZ-O 3.46Å; F137-P165 HydrophobicContact CD2-CG 3.59Å; F137-P165 HydrophobicContact CE2-CG 3.53Å; F137-P165 HydrophobicContact CG-CG 4.22Å; F137-P165 HydrophobicContact CZ-CG 4.12Å
138	Q	93.9	Very high	95.6	Very high	135 Å²	135	30.2 Å²	30.2	63%	0.631	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-32.5	172.1	-173.6	-176.7	81	0	0	111.4	D136	D136-Q138 VanDerWaalsContact C-N 3.25Å; D136-Q138 PolarHBondContact O-N 2.91Å; D136-Q138 WeakPolarHBondContact OD1-CA 3.38Å; D136-Q138 WeakPolarHBondContact OD1-CB 3.35Å; D136-Q138 PolarHBondContact OD1-N 2.85Å; D136-Q138 VanDerWaalsContact OD1-N 3.07Å
139	R	94.5	Very high	96	Very high	113 Å²	113	32 Å²	32	43%	0.426	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-15.1	-180	-64.2	-176	-179.3	-102.1	-16.2	114.2	D136 L141 Q202 L203 G204	D136-R139 HydrophobicContact CB-CB 4.37Å; D136-R139 PolarHBondContact O-N 2.82Å; D136-R139 WeakPolarHBondContact OD1-CB 3.22Å; D136-R139 WeakPolarHBondContact OD1-CG 3.37Å; D136-R139 PolarHBondContact OD1-N 3.22Å; D136-R139 VanDerWaalsContact OD2-CD 3.3Å; D136-R139 WeakPolarHBondContact OD2-CD 3.45Å; D136-R139 IonicContact OD2-NE 3.85Å; R139-L141 HydrophobicContact CB-CB 4.46Å; R139-L141 HydrophobicContact CB-CD1 4.08Å; R139-L141 HydrophobicContact CB-CG 4.06Å; R139-Q202 PolarHBondContact NH1-O 2.85Å; R139-L203 WeakPolarHBondContact CD-O 3.37Å; R139-G204 VanDerWaalsContact CZ-CA 3.44Å
140	G	95.9	Very high	96.1	Very high	28 Å²	28	33.6 Å²	33.6	29%	0.289	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.6	41.7	-172.2	0	0	0	0	0	111.8	D136 L157	D136-G140 WeakPolarHBondContact O-CA 3.44Å; D136-G140 PolarHBondContact O-N 2.85Å; G140-L157 WeakPolarHBondContact O-CB 3.49Å; G140-L157 PolarHBondContact O-N 2.84Å
141	L	96.5	Very high	96.2	Very high	30 Å²	30	34.8 Å²	34.8	16%	0.157	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	137.9	-179.9	-65.1	177.5	0	0	0	111.9	D136 R139 I154 T155 L203 I207	D136-L141 PolarHBondContact N-O 3.24Å; D136-L141 PolarHBondContact O-N 3.39Å; D136-L141 VanDerWaalsContact O-N 3.1Å; R139-L141 HydrophobicContact CB-CB 4.46Å; R139-L141 HydrophobicContact CB-CD1 4.08Å; R139-L141 HydrophobicContact CB-CG 4.06Å; L141-I154 HydrophobicContact CD2-CG2 4.32Å; L141-T155 WeakPolarHBondContact CA-O 3.34Å; L141-L203 HydrophobicContact CD1-CD2 4.05Å; L141-I207 HydrophobicContact CB-CD1 3.6Å; L141-I207 HydrophobicContact CD1-CD1 4.3Å
142	T	96.9	Very high	96.2	Very high	4 Å²	4	34.8 Å²	34.8	3%	0.025	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	136.1	162.8	-61.7	0	0	0	0	108.8	I133 V134 H135 Y144 I154 T155 L157	I133-T142 HydrophobicContact CG2-CG2 4.02Å; V134-T142 WeakPolarHBondContact O-CA 3.06Å; H135-T142 VanDerWaalsContact CD2-CG2 3.44Å; H135-T142 WeakPolarHBondContact CD2-CG2 3.28Å; H135-T142 PolarHBondContact CD2-OG1 2.89Å; H135-T142 WeakPolarHBondContact NE2-CG2 3.41Å; H135-T142 PolarHBondContact NE2-OG1 2.86Å; T142-Y144 HydrophobicContact CG2-CD2 3.78Å; T142-Y144 HydrophobicContact CG2-CE1 4.47Å; T142-Y144 HydrophobicContact CG2-CE2 3.34Å; T142-Y144 HydrophobicContact CG2-CG 4.5Å; T142-I154 WeakPolarHBondContact O-CA 3.48Å; T142-T155 HydrophobicContact CG2-CG2 4.22Å; T142-T155 PolarHBondContact N-O 2.74Å; T142-T155 PolarHBondContact O-N 3.08Å; T142-L157 VanDerWaalsContact OG1-CD1 3.22Å; T142-L157 WeakPolarHBondContact OG1-CD1 3.47Å
143	A	97.6	Very high	96.2	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	126.9	166.9	0	0	0	0	0	110.1	I133 V134 I154 I207 L210	I133-A143 CarbonylContact C-O 3.54Å; I133-A143 VanDerWaalsContact CA-O 3.3Å; I133-A143 WeakPolarHBondContact CA-O 3.38Å; V134-A143 PolarHBondContact N-O 2.86Å; V134-A143 PolarHBondContact O-N 2.87Å; A143-I154 HydrophobicContact CB-CD1 3.54Å; A143-I207 HydrophobicContact CB-CB 4.19Å; A143-I207 HydrophobicContact CB-CD1 3.99Å; A143-I207 HydrophobicContact CB-CG1 3.75Å; A143-I207 HydrophobicContact CB-CG2 3.59Å; A143-L210 HydrophobicContact CB-CD2 4.06Å
144	Y	97.6	Very high	96.2	Very high	6 Å²	6	33.3 Å²	33.3	2%	0.024	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	125.6	166.8	-58.6	-96.1	0	0	0	108.4	I133 T142 C152 Y153 T155 L219 I239 H241 T250	I133-Y144 HydrophobicContact CB-CD1 4.49Å; I133-Y144 HydrophobicContact CD1-CD1 3.86Å; I133-Y144 HydrophobicContact CD1-CE1 3.86Å; I133-Y144 HydrophobicContact CG1-CD1 3.8Å; I133-Y144 HydrophobicContact CG1-CE1 4.25Å; I133-Y144 HydrophobicContact CG2-CD1 3.99Å; I133-Y144 HydrophobicContact CG2-CE1 4.03Å; T142-Y144 HydrophobicContact CG2-CD2 3.78Å; T142-Y144 HydrophobicContact CG2-CE1 4.47Å; T142-Y144 HydrophobicContact CG2-CE2 3.34Å; T142-Y144 HydrophobicContact CG2-CG 4.5Å; Y144-C152 CarbonylContact O-C 3.58Å; Y144-C152 WeakPolarHBondContact O-CA 3.19Å; Y144-Y153 PolarHBondContact N-O 2.77Å; Y144-Y153 PolarHBondContact O-N 3.35Å; Y144-T155 HydrophobicContact CE2-CG2 4.11Å; Y144-L219 HydrophobicContact CD2-CD1 4.47Å; Y144-I239 HydrophobicContact CD1-CD1 3.93Å; Y144-I239 HydrophobicContact CD1-CG2 4.22Å; Y144-I239 HydrophobicContact CG-CD1 4.25Å; Y144-H241 AromaticContact CE1-CE1 3.86Å; Y144-T250 HydrophobicContact CE1-CG2 4.42Å; Y144-T250 HydrophobicContact CE2-CG2 4.41Å; Y144-T250 PolarHBondContact OH-OG1 3.32Å
145	Y	97.6	Very high	96.1	Very high	36 Å²	36	33.6 Å²	33.6	14%	0.141	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	106.5	164.9	170.3	-127.8	0	0	0	108.2	A131 D132 I147 D150 K151 L210 K214	A131-Y145 WeakPolarHBondContact CA-O 3.49Å; A131-Y145 WeakPolarHBondContact CB-O 3.41Å; D132-Y145 HydrophobicContact CB-CD1 4.19Å; D132-Y145 PolarHBondContact N-O 3.34Å; D132-Y145 PolarHBondContact O-N 2.76Å; Y145-I147 HydrophobicContact CD1-CG1 3.83Å; Y145-I147 HydrophobicContact CE1-CG1 3.72Å; Y145-I147 PolarHBondContact O-N 2.71Å; Y145-D150 PolarHBondContact OH-OD1 3.34Å; Y145-K151 CarbonylContact C-O 3.53Å; Y145-K151 WeakPolarHBondContact CA-O 3.39Å; Y145-L210 HydrophobicContact CD1-CD1 4.21Å; Y145-L210 HydrophobicContact CG-CD1 4.37Å; Y145-K214 HydrophobicContact CD2-CG 4.32Å; Y145-K214 HydrophobicContact CE2-CD 3.78Å; Y145-K214 HydrophobicContact CE2-CG 3.93Å; Y145-K214 WeakPolarHBondContact OH-CE 3.4Å; Y145-K214 PolarHBondContact OH-NZ 2.83Å; Y145-K214 VanDerWaalsContact OH-NZ 3.15Å
146	D	96.3	Very high	96	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	112.8	172.9	-176.9	-39.6	0	0	0	108.7	A148 L149 D150 K151 Y153 H237	D146-A148 WeakPolarHBondContact OD1-CA 3.28Å; D146-A148 WeakPolarHBondContact OD1-CB 3.4Å; D146-A148 PolarHBondContact OD1-N 2.92Å; D146-L149 HydrophobicContact CB-CB 4.29Å; D146-L149 PolarHBondContact OD1-N 2.77Å; D146-L149 WeakPolarHBondContact OD2-CD1 3.35Å; D146-L149 WeakPolarHBondContact OD2-CG 3.5Å; D146-D150 WeakPolarHBondContact O-CA 3.46Å; D146-D150 PolarHBondContact O-N 3.19Å; D146-K151 PolarHBondContact N-O 2.93Å; D146-K151 PolarHBondContact O-N 3.09Å; D146-Y153 HydrophobicContact CB-CD2 4.37Å; D146-Y153 HydrophobicContact CB-CE2 4.05Å; D146-H237 IonicContact OD2-CD2 2.63Å; D146-H237 PolarHBondContact OD2-CD2 3.46Å; D146-H237 IonicContact OD2-CG 2.75Å; D146-H237 IonicContact OD2-NE2 2.98Å
147	I	95.4	Very high	95.9	Very high	71 Å²	71	39.5 Å²	39.5	36%	0.364	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-24.8	-175.5	-62.1	166.9	0	0	0	110.9	P130 Y145	P130-I147 HydrophobicContact CB-CB 4.32Å; P130-I147 HydrophobicContact CB-CD1 4.42Å; P130-I147 HydrophobicContact CG-CB 4.13Å; P130-I147 HydrophobicContact CG-CG2 4.48Å; P130-I147 WeakPolarHBondContact O-CB 3.45Å; P130-I147 PolarHBondContact O-N 2.82Å; Y145-I147 HydrophobicContact CD1-CG1 3.83Å; Y145-I147 HydrophobicContact CE1-CG1 3.72Å; Y145-I147 PolarHBondContact O-N 2.71Å
148	A	94	Very high	95.8	Very high	59 Å²	59	39.4 Å²	39.4	49%	0.488	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-27.6	178.1	0	0	0	0	0	113	D129 P130 D146	D129-A148 HydrophobicContact CB-CB 4.43Å; P130-A148 HydrophobicContact CG-CB 4.39Å; D146-A148 WeakPolarHBondContact OD1-CA 3.28Å; D146-A148 WeakPolarHBondContact OD1-CB 3.4Å; D146-A148 PolarHBondContact OD1-N 2.92Å
149	L	94.2	Very high	95.6	Very high	55 Å²	55	38 Å²	38	29%	0.288	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	-9.1	179.5	-60.9	-174.9	0	0	0	114.5	D146 K151 H237	D146-L149 HydrophobicContact CB-CB 4.29Å; D146-L149 PolarHBondContact OD1-N 2.77Å; D146-L149 WeakPolarHBondContact OD2-CD1 3.35Å; D146-L149 WeakPolarHBondContact OD2-CG 3.5Å; L149-K151 VanDerWaalsContact C-N 3.32Å; L149-K151 HydrophobicContact CB-CB 4.27Å; L149-K151 HydrophobicContact CB-CD 4.27Å; L149-K151 HydrophobicContact CB-CG 4.29Å; L149-K151 WeakPolarHBondContact O-CG 2.98Å; L149-H237 HydrophobicContact CD1-CB 4.13Å
150	D	96	Very high	95.3	Very high	77 Å²	77	38.9 Å²	38.9	41%	0.412	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.8	36.4	-171.3	-149.8	53.2	0	0	0	114.3	Y145 D146 K214	Y145-D150 PolarHBondContact OH-OD1 3.34Å; D146-D150 WeakPolarHBondContact O-CA 3.46Å; D146-D150 PolarHBondContact O-N 3.19Å; D150-K214 IonicContact OD1-NZ 2.58Å; D150-K214 PolarHBondContact OD1-NZ 2.92Å; D150-K214 WeakPolarHBondContact OD2-CD 3.31Å; D150-K214 IonicContact OD2-NZ 2.86Å; D150-K214 PolarHBondContact OD2-NZ 2.99Å
151	K	96.1	Very high	94.8	Very high	42 Å²	42	38.5 Å²	38.5	18%	0.183	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	143.3	-168.8	-76.5	-177.7	-178.5	-160.3	0	113.1	Y145 D146 L149 Y153 E215 Y217	Y145-K151 CarbonylContact C-O 3.53Å; Y145-K151 WeakPolarHBondContact CA-O 3.39Å; D146-K151 PolarHBondContact N-O 2.93Å; D146-K151 PolarHBondContact O-N 3.09Å; L149-K151 VanDerWaalsContact C-N 3.32Å; L149-K151 HydrophobicContact CB-CB 4.27Å; L149-K151 HydrophobicContact CB-CD 4.27Å; L149-K151 HydrophobicContact CB-CG 4.29Å; L149-K151 WeakPolarHBondContact O-CG 2.98Å; K151-Y153 HydrophobicContact CB-CD2 4.29Å; K151-Y153 HydrophobicContact CB-CE2 3.48Å; K151-Y153 VanDerWaalsContact CB-CE2 3.48Å; K151-Y153 WeakPolarHBondContact CD-OH 3.29Å; K151-E215 HydrophobicContact CG-CB 4.26Å; K151-Y217 HydrophobicContact CD-CE2 3.81Å; K151-Y217 HydrophobicContact CG-CE2 4.16Å; K151-Y217 PolarHBondContact NZ-OH 3.17Å
152	C	97.1	Very high	94.6	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	140	172	-100.2	0	0	0	0	112.1	Y144 C211 K214 E215 T216 Y217	Y144-C152 CarbonylContact O-C 3.58Å; Y144-C152 WeakPolarHBondContact O-CA 3.19Å; C152-C211 HydrophobicContact CB-CB 3.64Å; C152-C211 WeakPolarHBondContact CB-SG 3.23Å; C152-C211 WeakPolarHBondContact SG-CA 3.13Å; C152-C211 WeakPolarHBondContact SG-CB 3.35Å; C152-C211 CovalentContact SG-SG 2.03Å; C152-C211 PolarHBondContact SG-SG 3.2Å; C152-K214 HydrophobicContact CB-CB 4.47Å; C152-E215 PolarHBondContact N-O 2.84Å; C152-T216 HydrophobicContact CB-CG2 4.03Å; C152-T216 CarbonylContact O-C 3.5Å; C152-T216 VanDerWaalsContact O-CA 3.3Å; C152-T216 WeakPolarHBondContact O-CA 3.23Å; C152-Y217 PolarHBondContact O-N 2.72Å
153	Y	97.1	Very high	94.4	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	113.9	-176.2	-64.5	-79	0	0	0	109.9	Y144 D146 K151 V193 Y217 L219 H237 I252	Y144-Y153 PolarHBondContact N-O 2.77Å; Y144-Y153 PolarHBondContact O-N 3.35Å; D146-Y153 HydrophobicContact CB-CD2 4.37Å; D146-Y153 HydrophobicContact CB-CE2 4.05Å; K151-Y153 HydrophobicContact CB-CD2 4.29Å; K151-Y153 HydrophobicContact CB-CE2 3.48Å; K151-Y153 VanDerWaalsContact CB-CE2 3.48Å; K151-Y153 WeakPolarHBondContact CD-OH 3.29Å; Y153-V193 HydrophobicContact CD1-CG2 4.33Å; Y153-V193 HydrophobicContact CE1-CG2 3.87Å; Y153-Y217 HydrophobicContact CD1-CD2 4.43Å; Y153-Y217 HydrophobicContact CE1-CD2 4.02Å; Y153-Y217 HydrophobicContact CE1-CG 4.26Å; Y153-L219 HydrophobicContact CD1-CD2 3.69Å; Y153-L219 HydrophobicContact CD1-CG 4.33Å; Y153-L219 HydrophobicContact CG-CD2 4.29Å; Y153-H237 AromaticContact CE2-NE2 3.28Å; Y153-H237 VanDerWaalsContact CE2-NE2 3.28Å; Y153-H237 WeakPolarHBondContact CE2-NE2 3.48Å; Y153-H237 AromaticContact CZ-CE1 3.64Å; Y153-H237 AromaticContact CZ-NE2 3.26Å; Y153-H237 VanDerWaalsContact CZ-NE2 3.26Å; Y153-H237 PolarHBondContact OH-CE1 2.9Å; Y153-H237 VanDerWaalsContact OH-CE1 3.28Å; Y153-H237 PolarHBondContact OH-NE2 3.43Å; Y153-I252 HydrophobicContact CD1-CG2 4.13Å; Y153-I252 HydrophobicContact CD2-CD1 4.03Å; Y153-I252 HydrophobicContact CE1-CG2 4.05Å; Y153-I252 HydrophobicContact CG-CD1 4.03Å
154	I	97.1	Very high	94.1	Very high	5 Å²	5	42.9 Å²	42.9	3%	0.026	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	133	-175	-48.5	-54.3	0	0	0	110.2	L141 T142 A143 L197 L203 I207 T216 Y217 R218 L219	L141-I154 HydrophobicContact CD2-CG2 4.32Å; T142-I154 WeakPolarHBondContact O-CA 3.48Å; A143-I154 HydrophobicContact CB-CD1 3.54Å; I154-L197 HydrophobicContact CB-CD1 3.82Å; I154-L197 HydrophobicContact CG1-CD1 3.68Å; I154-L197 HydrophobicContact CG2-CD1 4.46Å; I154-L203 HydrophobicContact CD1-CD1 4.23Å; I154-L203 HydrophobicContact CG1-CD1 4.12Å; I154-L203 HydrophobicContact CG1-CD2 4.24Å; I154-L203 HydrophobicContact CG2-CD2 3.86Å; I154-I207 HydrophobicContact CD1-CG2 3.63Å; I154-T216 HydrophobicContact CD1-CG2 4.09Å; I154-T216 HydrophobicContact CG1-CG2 3.6Å; I154-Y217 PolarHBondContact N-O 3.01Å; I154-R218 WeakPolarHBondContact O-CA 3.01Å; I154-L219 PolarHBondContact O-N 3.49Å
155	T	95.9	Very high	93.9	Very high	8 Å²	8	42.6 Å²	42.6	5%	0.049	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	165.1	171.6	-172.1	0	0	0	0	111.5	L141 T142 Y144 M191	L141-T155 WeakPolarHBondContact CA-O 3.34Å; T142-T155 HydrophobicContact CG2-CG2 4.22Å; T142-T155 PolarHBondContact N-O 2.74Å; T142-T155 PolarHBondContact O-N 3.08Å; Y144-T155 HydrophobicContact CE2-CG2 4.11Å; T155-M191 HydrophobicContact CG2-CE 3.9Å; T155-M191 WeakPolarHBondContact OG1-CE 3.38Å
156	E	95.3	Very high	93.5	Very high	108 Å²	108	49.1 Å²	49.1	51%	0.505	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	135.1	165.6	-71.7	140.5	-125.7	0	0	110.1	R218	E156-R218 IonicContact OE1-CZ 3.76Å; E156-R218 IonicContact OE1-NE 3.85Å; E156-R218 IonicContact OE1-NH2 3.94Å; E156-R218 PolarHBondContact OE1-NH2 2.8Å
157	L	94.4	Very high	93.3	Very high	17 Å²	17	51.8 Å²	51.8	9%	0.089	29%	0.285	C	S	.	.			trans	-67.6	138.2	-175.9	-177.7	67.1	0	0	0	111.4	H135 F137 G140 T142 T159 V162	H135-L157 HydrophobicContact CB-CD1 3.87Å; F137-L157 HydrophobicContact CB-CD2 4.33Å; F137-L157 HydrophobicContact CD1-CD2 3.57Å; F137-L157 HydrophobicContact CE1-CD2 4Å; F137-L157 HydrophobicContact CG-CD2 3.91Å; G140-L157 WeakPolarHBondContact O-CB 3.49Å; G140-L157 PolarHBondContact O-N 2.84Å; T142-L157 VanDerWaalsContact OG1-CD1 3.22Å; T142-L157 WeakPolarHBondContact OG1-CD1 3.47Å; L157-T159 HydrophobicContact CD2-CG2 4.17Å; L157-T159 HydrophobicContact CG-CG2 4.28Å; L157-T159 PolarHBondContact O-N 3.25Å; L157-V162 HydrophobicContact CD1-CB 4.17Å; L157-V162 HydrophobicContact CD1-CG1 4.21Å; L157-V162 HydrophobicContact CD1-CG2 3.7Å; L157-V162 HydrophobicContact CG-CG2 4.45Å
158	N	91.5	Very high	93	Very high	33 Å²	33	48.8 Å²	48.8	18%	0.176	27%	0.27	C	S	.	.			trans	-93.6	75.8	-176.8	-156.5	13	0	0	0	111.6	T160 A161 V162 E189 R221	N158-T160 PolarHBondContact O-N 3.35Å; N158-T160 PolarHBondContact OD1-OG1 3.27Å; N158-A161 HydrophobicContact CB-CB 4.13Å; N158-A161 WeakPolarHBondContact ND2-CB 3.3Å; N158-A161 PolarHBondContact O-N 3.5Å; N158-V162 HydrophobicContact CB-CG2 4.21Å; N158-V162 WeakPolarHBondContact O-CG2 2.93Å; N158-V162 PolarHBondContact O-N 3.46Å; N158-E189 PolarHBondContact ND2-OE1 2.91Å; N158-R221 VanDerWaalsContact CG-NH1 3.35Å; N158-R221 PolarHBondContact ND2-NH2 2.85Å; N158-R221 PolarHBondContact OD1-NH1 3.34Å
159	T	89.9	Confident	92.9	Very high	107 Å²	107	47.9 Å²	47.9	66%	0.656	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	0.2	-173.7	58.2	0	0	0	0	115.9	L157	L157-T159 HydrophobicContact CD2-CG2 4.17Å; L157-T159 HydrophobicContact CG-CG2 4.28Å; L157-T159 PolarHBondContact O-N 3.25Å
160	T	88	Confident	92.6	Very high	131 Å²	131	50.5 Å²	50.5	80%	0.804	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.1	-12.6	169.4	55.4	0	0	0	0	113.9	N158	N158-T160 PolarHBondContact O-N 3.35Å; N158-T160 PolarHBondContact OD1-OG1 3.27Å
161	A	87.4	Confident	92.3	Very high	20 Å²	20	47.9 Å²	47.9	17%	0.165	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.1	-40	177.8	0	0	0	0	0	112	N158 N244 F246	N158-A161 HydrophobicContact CB-CB 4.13Å; N158-A161 WeakPolarHBondContact ND2-CB 3.3Å; N158-A161 PolarHBondContact O-N 3.5Å; A161-N244 PolarHBondContact O-ND2 2.86Å; A161-F246 HydrophobicContact CB-CZ 4.31Å
162	V	91.4	Very high	91.9	Very high	5 Å²	5	46.3 Å²	46.3	3%	0.03	24%	0.244	C	C	.	.	S	Bend	trans	-80	131.1	173.9	-166.5	0	0	0	0	109.5	H135 F137 L157 N158 E243	H135-V162 WeakPolarHBondContact ND1-CG1 3.49Å; F137-V162 HydrophobicContact CE1-CB 4.5Å; F137-V162 HydrophobicContact CE1-CG1 3.86Å; F137-V162 HydrophobicContact CZ-CG1 3.63Å; L157-V162 HydrophobicContact CD1-CB 4.17Å; L157-V162 HydrophobicContact CD1-CG1 4.21Å; L157-V162 HydrophobicContact CD1-CG2 3.7Å; L157-V162 HydrophobicContact CG-CG2 4.45Å; N158-V162 HydrophobicContact CB-CG2 4.21Å; N158-V162 WeakPolarHBondContact O-CG2 2.93Å; N158-V162 PolarHBondContact O-N 3.46Å; V162-E243 VanDerWaalsContact CA-OE2 3.3Å; V162-E243 WeakPolarHBondContact CA-OE2 3.34Å; V162-E243 WeakPolarHBondContact CB-OE2 3.37Å; V162-E243 WeakPolarHBondContact CG1-OE2 3.42Å; V162-E243 VanDerWaalsContact CG2-OE2 3.29Å; V162-E243 WeakPolarHBondContact CG2-OE2 3.25Å
163	M	91.7	Very high	91.5	Very high	49 Å²	49	47 Å²	47	24%	0.241	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-86.9	135	179.2	-173.6	170.3	-68.6	0	0	110.8	F137 L168 L171 N244	F137-M163 WeakPolarHBondContact CZ-O 3.46Å; M163-L168 HydrophobicContact CB-CB 4.25Å; M163-L168 HydrophobicContact CG-CB 4.23Å; M163-L168 HydrophobicContact SD-CB 4.48Å; M163-L171 HydrophobicContact CE-CD2 3.99Å; M163-L171 HydrophobicContact SD-CB 4.31Å; M163-L171 HydrophobicContact SD-CD2 3.96Å; M163-N244 HydrophobicContact CB-CB 4.13Å; M163-N244 HydrophobicContact CE-CB 3.99Å; M163-N244 HydrophobicContact SD-CB 4.49Å
164	P	92.8	Very high	91	Very high	71 Å²	71	49.9 Å²	49.9	46%	0.461	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-60.7	148.6	178.9	-25.4	35.2	0	0	0	113.2	R166 S167 L168	P164-R166 VanDerWaalsContact C-N 3.31Å; P164-R166 PolarHBondContact O-N 3.34Å; P164-S167 PolarHBondContact O-N 2.95Å; P164-L168 PolarHBondContact O-N 3.43Å
165	P	92.4	Very high	90.4	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.006	28%	0.278	C	S	.	.	H	α-helix	trans	-49.9	-41.9	-168.3	-35	39	0	0	0	115.4	I109 L111 F137 W169	I109-P165 HydrophobicContact CG2-CB 3.66Å; I109-P165 WeakPolarHBondContact CG2-O 3.44Å; L111-P165 HydrophobicContact CD2-CB 3.76Å; F137-P165 HydrophobicContact CD2-CG 3.59Å; F137-P165 HydrophobicContact CE2-CG 3.53Å; F137-P165 HydrophobicContact CG-CG 4.22Å; F137-P165 HydrophobicContact CZ-CG 4.12Å; P165-W169 VanDerWaalsContact O-CB 3.23Å; P165-W169 WeakPolarHBondContact O-CB 3.28Å; P165-W169 PolarHBondContact O-N 3.33Å
166	R	90.4	Very high	89.8	Confident	173 Å²	173	58 Å²	58	65%	0.653	30%	0.302	S	S	*	.	H	α-helix	trans	-64.6	-43.5	178.7	-68	-179.7	-176.9	-175.5	0	112.8	L111 P164 W169 E170	L111-R166 HydrophobicContact CD2-CG 3.93Å; P164-R166 VanDerWaalsContact C-N 3.31Å; P164-R166 PolarHBondContact O-N 3.34Å; R166-W169 PolarHBondContact O-N 3.1Å; R166-E170 WeakPolarHBondContact O-CG 3.29Å; R166-E170 PolarHBondContact O-N 3.32Å
167	S	90.6	Very high	89.4	Confident	56 Å²	56	61.1 Å²	61.1	39%	0.392	31%	0.31	S	S	.	.	H	α-helix	trans	-74.2	-35.6	-179.8	-60.4	0	0	0	0	111.5	P164 E170 L171	P164-S167 PolarHBondContact O-N 2.95Å; S167-E170 PolarHBondContact O-N 3.44Å; S167-L171 WeakPolarHBondContact O-CB 3.39Å; S167-L171 PolarHBondContact O-N 2.87Å
168	L	90.4	Very high	88.7	Confident	8 Å²	8	63 Å²	63	4%	0.042	33%	0.333	C	S	.	.	H	α-helix	trans	-64.6	-43.3	172.7	-175.2	64	0	0	0	110.8	V107 I109 E116 M163 P164 L171 L172 N244	V107-L168 HydrophobicContact CG1-CD2 4.39Å; I109-L168 HydrophobicContact CD1-CB 4.16Å; I109-L168 HydrophobicContact CD1-CD2 3.85Å; I109-L168 HydrophobicContact CD1-CG 3.8Å; I109-L168 HydrophobicContact CG1-CD2 4.46Å; E116-L168 WeakPolarHBondContact OE2-CD2 3.38Å; M163-L168 HydrophobicContact CB-CB 4.25Å; M163-L168 HydrophobicContact CG-CB 4.23Å; M163-L168 HydrophobicContact SD-CB 4.48Å; P164-L168 PolarHBondContact O-N 3.43Å; L168-L171 WeakPolarHBondContact O-CB 3.44Å; L168-L171 PolarHBondContact O-N 3.45Å; L168-L172 HydrophobicContact CD1-CG 4.34Å; L168-L172 HydrophobicContact CG-CD1 4.31Å; L168-L172 HydrophobicContact CG-CG 4.41Å; L168-L172 WeakPolarHBondContact O-CG 3.47Å; L168-L172 PolarHBondContact O-N 2.96Å; L168-N244 HydrophobicContact CD1-CB 4.26Å
169	W	90.8	Very high	87.8	Confident	40 Å²	40	66.2 Å²	66.2	15%	0.152	35%	0.354	C	S	.	.	H	α-helix	trans	-59.7	-47.7	174.5	179	88.3	0	0	0	112.2	Q76 P78 D80 F83 I109 L111 P165 R166 L171 L172 V173	Q76-W169 VanDerWaalsContact O-CH2 3.31Å; Q76-W169 WeakPolarHBondContact O-CH2 3.47Å; P78-W169 HydrophobicContact CG-CZ2 3.78Å; D80-W169 PolarHBondContact O-NE1 2.85Å; F83-W169 AromaticContact CE2-CD1 3.71Å; F83-W169 AromaticContact CZ-CD1 3.6Å; F83-W169 HydrophobicContact CZ-CG 4.44Å; F83-W169 AromaticContact CZ-NE1 3.79Å; I109-W169 HydrophobicContact CD1-CB 4.11Å; I109-W169 HydrophobicContact CG2-CB 4.38Å; L111-W169 HydrophobicContact CD1-CG 4.39Å; L111-W169 HydrophobicContact CD2-CB 4.38Å; P165-W169 VanDerWaalsContact O-CB 3.23Å; P165-W169 WeakPolarHBondContact O-CB 3.28Å; P165-W169 PolarHBondContact O-N 3.33Å; R166-W169 PolarHBondContact O-N 3.1Å; W169-L171 VanDerWaalsContact C-N 3.28Å; W169-L171 PolarHBondContact O-N 3.48Å; W169-L172 PolarHBondContact O-N 2.88Å; W169-V173 HydrophobicContact CD2-CG2 4.12Å; W169-V173 HydrophobicContact CH2-CG2 4.17Å; W169-V173 HydrophobicContact CZ2-CG2 3.64Å; W169-V173 WeakPolarHBondContact O-CB 3.31Å; W169-V173 VanDerWaalsContact O-CG2 3.29Å; W169-V173 WeakPolarHBondContact O-CG2 3.16Å; W169-V173 PolarHBondContact O-N 3.48Å
170	E	89.3	Confident	86.8	Confident	110 Å²	110	65.4 Å²	65.4	51%	0.514	34%	0.339	S	S	.	.	H	α-helix	trans	-58.3	-39.4	174.1	-75.9	175.2	-161.8	0	0	112.1	R166 S167 N174	R166-E170 WeakPolarHBondContact O-CG 3.29Å; R166-E170 PolarHBondContact O-N 3.32Å; S167-E170 PolarHBondContact O-N 3.44Å; E170-N174 PolarHBondContact O-N 2.66Å; E170-N174 VanDerWaalsContact O-N 3.16Å; E170-N174 PolarHBondContact O-ND2 2.63Å
171	L	88.4	Confident	85.7	Confident	22 Å²	22	66.2 Å²	66.2	12%	0.115	34%	0.338	C	S	.	.	H	α-helix	trans	-66.9	-50.3	177.8	-179.2	58.6	0	0	0	111.9	M163 S167 L168 W169 V173 N174 V175 Y180 N244 T245	M163-L171 HydrophobicContact CE-CD2 3.99Å; M163-L171 HydrophobicContact SD-CB 4.31Å; M163-L171 HydrophobicContact SD-CD2 3.96Å; S167-L171 WeakPolarHBondContact O-CB 3.39Å; S167-L171 PolarHBondContact O-N 2.87Å; L168-L171 WeakPolarHBondContact O-CB 3.44Å; L168-L171 PolarHBondContact O-N 3.45Å; W169-L171 VanDerWaalsContact C-N 3.28Å; W169-L171 PolarHBondContact O-N 3.48Å; L171-V173 VanDerWaalsContact C-N 3.31Å; L171-V173 PolarHBondContact O-N 2.9Å; L171-N174 PolarHBondContact O-N 3.22Å; L171-N174 VanDerWaalsContact O-N 3.07Å; L171-V175 WeakPolarHBondContact O-CG2 3.44Å; L171-V175 PolarHBondContact O-N 2.91Å; L171-Y180 HydrophobicContact CD1-CD1 3.7Å; L171-Y180 HydrophobicContact CD1-CD2 4.33Å; L171-Y180 HydrophobicContact CD1-CE1 3.75Å; L171-Y180 HydrophobicContact CD1-CE2 4.39Å; L171-Y180 HydrophobicContact CD1-CG 3.99Å; L171-N244 HydrophobicContact CD2-CB 3.94Å; L171-N244 VanDerWaalsContact CD2-O 3.31Å; L171-N244 WeakPolarHBondContact CD2-O 3.44Å; L171-T245 HydrophobicContact CD2-CG2 4.48Å
172	L	87.8	Confident	84.7	Confident	8 Å²	8	67 Å²	67	4%	0.042	34%	0.342	C	S	.	.	H	α-helix	trans	-64.5	-34.5	179.6	-65.8	-176.2	0	0	0	112.2	F83 V107 I109 L168 W169 N174 V175 K176 F242	F83-L172 HydrophobicContact CB-CD1 3.93Å; F83-L172 HydrophobicContact CD1-CB 3.61Å; F83-L172 HydrophobicContact CD1-CD1 4.13Å; F83-L172 HydrophobicContact CD1-CG 4.5Å; F83-L172 HydrophobicContact CD2-CB 4.43Å; F83-L172 HydrophobicContact CD2-CD1 3.74Å; F83-L172 HydrophobicContact CE1-CB 3.62Å; F83-L172 HydrophobicContact CE2-CB 4.45Å; F83-L172 HydrophobicContact CE2-CD1 4.29Å; F83-L172 HydrophobicContact CG-CB 4.04Å; F83-L172 HydrophobicContact CG-CD1 3.65Å; F83-L172 HydrophobicContact CG-CG 4.49Å; F83-L172 HydrophobicContact CZ-CB 4.06Å; V107-L172 HydrophobicContact CB-CD1 4.36Å; V107-L172 HydrophobicContact CG1-CD1 4.23Å; I109-L172 HydrophobicContact CD1-CD1 3.86Å; L168-L172 HydrophobicContact CD1-CG 4.34Å; L168-L172 HydrophobicContact CG-CD1 4.31Å; L168-L172 HydrophobicContact CG-CG 4.41Å; L168-L172 WeakPolarHBondContact O-CG 3.47Å; L168-L172 PolarHBondContact O-N 2.96Å; W169-L172 PolarHBondContact O-N 2.88Å; L172-N174 VanDerWaalsContact C-N 3.34Å; L172-V175 PolarHBondContact O-N 3.25Å; L172-K176 VanDerWaalsContact O-CB 3.28Å; L172-K176 WeakPolarHBondContact O-CB 3.14Å; L172-K176 PolarHBondContact O-N 3.43Å; L172-F242 HydrophobicContact CD2-CE1 4.45Å
173	V	88.4	Confident	83.4	Confident	15 Å²	15	74.5 Å²	74.5	9%	0.091	38%	0.376	C	S	.	.	H	α-helix	trans	-64.1	-37.4	171.7	166.9	0	0	0	0	112	F83 W169 L171 R177	F83-V173 HydrophobicContact CE1-CG2 4.06Å; F83-V173 HydrophobicContact CZ-CG2 4.01Å; W169-V173 HydrophobicContact CD2-CG2 4.12Å; W169-V173 HydrophobicContact CH2-CG2 4.17Å; W169-V173 HydrophobicContact CZ2-CG2 3.64Å; W169-V173 WeakPolarHBondContact O-CB 3.31Å; W169-V173 VanDerWaalsContact O-CG2 3.29Å; W169-V173 WeakPolarHBondContact O-CG2 3.16Å; W169-V173 PolarHBondContact O-N 3.48Å; L171-V173 VanDerWaalsContact C-N 3.31Å; L171-V173 PolarHBondContact O-N 2.9Å; V173-R177 WeakPolarHBondContact O-CB 3.31Å; V173-R177 WeakPolarHBondContact O-CD 3.21Å; V173-R177 VanDerWaalsContact O-CG 3.22Å; V173-R177 WeakPolarHBondContact O-CG 3.23Å; V173-R177 PolarHBondContact O-N 2.83Å; V173-R177 VanDerWaalsContact O-N 3.1Å
174	N	86.3	Confident	82.3	Confident	61 Å²	61	74 Å²	74	33%	0.326	38%	0.376	S	S	.	.	H	α-helix	trans	-73.4	-36.1	175.4	-75.4	-50.9	0	0	0	112.6	E170 L171 L172 R177 G178 T179	E170-N174 PolarHBondContact O-N 2.66Å; E170-N174 VanDerWaalsContact O-N 3.16Å; E170-N174 PolarHBondContact O-ND2 2.63Å; L171-N174 PolarHBondContact O-N 3.22Å; L171-N174 VanDerWaalsContact O-N 3.07Å; L172-N174 VanDerWaalsContact C-N 3.34Å; N174-R177 PolarHBondContact O-N 3.27Å; N174-G178 PolarHBondContact O-N 3.28Å; N174-G178 VanDerWaalsContact O-N 3.17Å; N174-T179 WeakPolarHBondContact CA-OG1 3.46Å; N174-T179 WeakPolarHBondContact CB-OG1 3.37Å; N174-T179 PolarHBondContact O-N 3.29Å; N174-T179 PolarHBondContact O-OG1 3.18Å; N174-T179 VanDerWaalsContact O-OG1 3.04Å; N174-T179 PolarHBondContact OD1-OG1 3.2Å
175	V	84.5	Confident	81.6	Confident	54 Å²	54	76.7 Å²	76.7	33%	0.327	38%	0.378	S	S	.	.	H	α-helix	trans	-60.3	-48.5	169	172.3	0	0	0	0	110.8	L171 L172 R177 G178 Y180	L171-V175 WeakPolarHBondContact O-CG2 3.44Å; L171-V175 PolarHBondContact O-N 2.91Å; L172-V175 PolarHBondContact O-N 3.25Å; V175-R177 PolarHBondContact O-N 3.19Å; V175-G178 PolarHBondContact O-N 2.83Å; V175-Y180 HydrophobicContact CG2-CD1 3.79Å; V175-Y180 HydrophobicContact CG2-CG 4.5Å
176	K	84.9	Confident	81.1	Confident	129 Å²	129	78.9 Å²	78.9	56%	0.561	39%	0.389	S	S	*	.	H	α-helix	trans	-61.3	-25.1	177.4	-170.5	173.3	-175.8	175.3	0	113.2	D80 L172	D80-K176 IonicContact OD1-NZ 2.89Å; D80-K176 IonicContact OD2-NZ 3.18Å; D80-K176 PolarHBondContact OD2-NZ 3.04Å; L172-K176 VanDerWaalsContact O-CB 3.28Å; L172-K176 WeakPolarHBondContact O-CB 3.14Å; L172-K176 PolarHBondContact O-N 3.43Å
177	R	85.6	Confident	80.9	Confident	174 Å²	174	72.9 Å²	72.9	66%	0.657	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-6	173.2	-71.9	168.6	-178.7	164.1	3.3	114.2	V173 N174 V175 T179	V173-R177 WeakPolarHBondContact O-CB 3.31Å; V173-R177 WeakPolarHBondContact O-CD 3.21Å; V173-R177 VanDerWaalsContact O-CG 3.22Å; V173-R177 WeakPolarHBondContact O-CG 3.23Å; V173-R177 PolarHBondContact O-N 2.83Å; V173-R177 VanDerWaalsContact O-N 3.1Å; N174-R177 PolarHBondContact O-N 3.27Å; V175-R177 PolarHBondContact O-N 3.19Å; R177-T179 HydrophobicContact CB-CG2 4.28Å; R177-T179 PolarHBondContact O-N 2.87Å
178	G	80.8	Confident	80.7	Confident	57 Å²	57	73.7 Å²	73.7	59%	0.588	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.3	13.2	-174.4	0	0	0	0	0	114.6	N174 V175 Y180	N174-G178 PolarHBondContact O-N 3.28Å; N174-G178 VanDerWaalsContact O-N 3.17Å; V175-G178 PolarHBondContact O-N 2.83Å; G178-Y180 VanDerWaalsContact C-N 3.33Å
179	T	73.1	Confident	80.6	Confident	99 Å²	99	75 Å²	75	61%	0.607	38%	0.375	S	S	*	.	S	Bend	trans	-85.3	-7.6	177.8	53.7	0	0	0	0	113	N174 R177	N174-T179 WeakPolarHBondContact CA-OG1 3.46Å; N174-T179 WeakPolarHBondContact CB-OG1 3.37Å; N174-T179 PolarHBondContact O-N 3.29Å; N174-T179 PolarHBondContact O-OG1 3.18Å; N174-T179 VanDerWaalsContact O-OG1 3.04Å; N174-T179 PolarHBondContact OD1-OG1 3.2Å; R177-T179 HydrophobicContact CB-CG2 4.28Å; R177-T179 PolarHBondContact O-N 2.87Å
180	Y	68.4	Low	80.6	Confident	90 Å²	90	75.5 Å²	75.5	35%	0.353	38%	0.379	S	S	.	.			trans	-135.7	139.6	174.7	-171.6	-95.5	0	0	0	111	L171 V175 G178 P182	L171-Y180 HydrophobicContact CD1-CD1 3.7Å; L171-Y180 HydrophobicContact CD1-CD2 4.33Å; L171-Y180 HydrophobicContact CD1-CE1 3.75Å; L171-Y180 HydrophobicContact CD1-CE2 4.39Å; L171-Y180 HydrophobicContact CD1-CG 3.99Å; V175-Y180 HydrophobicContact CG2-CD1 3.79Å; V175-Y180 HydrophobicContact CG2-CG 4.5Å; G178-Y180 VanDerWaalsContact C-N 3.33Å; Y180-P182 HydrophobicContact CE1-CB 3.99Å
181	L	64.8	Low	80.7	Confident	148 Å²	148	70.2 Å²	70.2	78%	0.775	36%	0.355	S	S	*	.			trans	-121.2	110.1	174.9	-67.2	173.6	0	0	0	108.4
182	P	66.5	Low	80.9	Confident	38 Å²	38	70.8 Å²	70.8	25%	0.247	36%	0.359	C	S	.	.			trans	-69.9	138.4	-178	28.9	-34.5	0	0	0	111.5	Y180 T184 F242	Y180-P182 HydrophobicContact CE1-CB 3.99Å; P182-T184 HydrophobicContact CB-CG2 4.01Å; P182-T184 HydrophobicContact CG-CG2 4.13Å; P182-T184 PolarHBondContact O-N 3.28Å; P182-F242 HydrophobicContact CB-CE2 4.28Å; P182-F242 HydrophobicContact CB-CZ 4.25Å
183	Q	64.4	Low	81.2	Confident	162 Å²	162	70.9 Å²	70.9	76%	0.757	36%	0.36	S	S	*	.			trans	-92.5	90.7	176.3	-68.4	-173.5	-0.5	0	0	110	Y185 T245	Q183-Y185 WeakPolarHBondContact O-CD1 3.32Å; Q183-Y185 PolarHBondContact O-N 3.1Å; Q183-Y185 VanDerWaalsContact O-N 3.13Å; Q183-T245 CarbonylContact C-O 3.49Å
184	T	68.9	Low	81.3	Confident	37 Å²	37	73 Å²	73	23%	0.227	37%	0.373	C	S	.	.			trans	-88.2	80.8	-160.9	42.1	0	0	0	0	113.7	V87 I88 P182 F242	V87-T184 HydrophobicContact CG1-CG2 3.58Å; I88-T184 WeakPolarHBondContact O-CB 3.27Å; I88-T184 PolarHBondContact O-OG1 3.26Å; P182-T184 HydrophobicContact CB-CG2 4.01Å; P182-T184 HydrophobicContact CG-CG2 4.13Å; P182-T184 PolarHBondContact O-N 3.28Å; T184-F242 HydrophobicContact CG2-CE2 4.22Å
185	Y	77.9	Confident	81.6	Confident	128 Å²	128	71.7 Å²	71.7	50%	0.502	37%	0.374	S	S	.	.			trans	-86.8	167.4	165.4	60.2	-86.4	0	0	0	112	Q183 V187 F246 V247	Q183-Y185 WeakPolarHBondContact O-CD1 3.32Å; Q183-Y185 PolarHBondContact O-N 3.1Å; Q183-Y185 VanDerWaalsContact O-N 3.13Å; Y185-V187 HydrophobicContact CD2-CG2 3.77Å; Y185-V187 HydrophobicContact CE2-CG2 3.41Å; Y185-V187 VanDerWaalsContact CE2-CG2 3.41Å; Y185-F246 HydrophobicContact CD1-CB 4.21Å; Y185-F246 HydrophobicContact CD2-CB 3.82Å; Y185-F246 HydrophobicContact CE1-CB 4Å; Y185-F246 HydrophobicContact CE1-CD1 4.5Å; Y185-F246 HydrophobicContact CE2-CB 3.59Å; Y185-F246 HydrophobicContact CE2-CD1 4.11Å; Y185-F246 AromaticContact CE2-CG 3.89Å; Y185-F246 HydrophobicContact CE2-CG 3.89Å; Y185-F246 HydrophobicContact CG-CB 4.11Å; Y185-F246 AromaticContact CZ-CD1 3.75Å; Y185-F246 AromaticContact CZ-CG 3.94Å; Y185-F246 WeakPolarHBondContact O-CA 3.48Å; Y185-F246 WeakPolarHBondContact O-CB 3.17Å; Y185-F246 WeakPolarHBondContact OH-CD1 3.27Å; Y185-V247 PolarHBondContact O-N 2.88Å
186	I	81.2	Confident	82	Confident	47 Å²	47	75.6 Å²	75.6	24%	0.241	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	136.4	174.1	-48.1	175.9	0	0	0	110	Y89 D91 V247 E249	Y89-I186 HydrophobicContact CD2-CD1 3.6Å; Y89-I186 HydrophobicContact CD2-CG1 3.69Å; Y89-I186 HydrophobicContact CE2-CD1 3.68Å; Y89-I186 HydrophobicContact CE2-CG1 4.16Å; D91-I186 HydrophobicContact CB-CD1 3.86Å; I186-V247 CarbonylContact C-O 3.55Å; I186-V247 VanDerWaalsContact CA-O 3.31Å; I186-V247 WeakPolarHBondContact CA-O 3.31Å; I186-E249 HydrophobicContact CG2-CB 4.08Å
187	V	85.6	Confident	82.4	Confident	48 Å²	48	71.8 Å²	71.8	29%	0.291	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	124.8	168.1	-179.7	0	0	0	0	109.5	Y185 F246 V247 V248 E249	Y185-V187 HydrophobicContact CD2-CG2 3.77Å; Y185-V187 HydrophobicContact CE2-CG2 3.41Å; Y185-V187 VanDerWaalsContact CE2-CG2 3.41Å; V187-F246 HydrophobicContact CB-CD2 3.84Å; V187-F246 HydrophobicContact CB-CE2 4.11Å; V187-F246 HydrophobicContact CG2-CB 4.25Å; V187-F246 HydrophobicContact CG2-CD2 3.42Å; V187-F246 VanDerWaalsContact CG2-CD2 3.42Å; V187-F246 HydrophobicContact CG2-CE2 3.88Å; V187-F246 HydrophobicContact CG2-CG 3.85Å; V187-V247 PolarHBondContact N-O 3.48Å; V187-V248 CarbonylContact O-C 3.59Å; V187-V248 VanDerWaalsContact O-CA 3.31Å; V187-V248 WeakPolarHBondContact O-CA 3.47Å; V187-E249 PolarHBondContact O-N 3.13Å
188	Q	86.8	Confident	82.5	Confident	72 Å²	72	74.7 Å²	74.7	34%	0.336	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	121	-179.1	-167.2	-160.4	-44.5	0	0	111.2	Y94 E249 I251	Y94-Q188 PolarHBondContact OH-OE1 2.84Å; Q188-E249 WeakPolarHBondContact CA-O 3.42Å; Q188-I251 HydrophobicContact CG-CD1 3.82Å; Q188-I251 HydrophobicContact CG-CG1 4.01Å
189	E	88.6	Confident	82.8	Confident	35 Å²	35	75.2 Å²	75.2	16%	0.164	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	117.7	170.6	-70.7	-152	167.2	0	0	111.2	N158 R221 E249 I251	N158-E189 PolarHBondContact ND2-OE1 2.91Å; E189-R221 VanDerWaalsContact CD-NE 3.25Å; E189-R221 IonicContact OE1-CZ 3.98Å; E189-R221 IonicContact OE1-NE 2.73Å; E189-R221 PolarHBondContact OE1-NE 3.33Å; E189-R221 VanDerWaalsContact OE1-NE 3.08Å; E189-R221 IonicContact OE1-NH2 3.23Å; E189-R221 PolarHBondContact OE1-NH2 3.48Å; E189-R221 IonicContact OE2-CZ 2.8Å; E189-R221 IonicContact OE2-NE 2.81Å; E189-R221 PolarHBondContact OE2-NE 2.88Å; E189-R221 IonicContact OE2-NH2 3.45Å; E189-R221 PolarHBondContact OE2-NH2 3.44Å; E189-E249 PolarHBondContact N-O 2.79Å; E189-I251 PolarHBondContact O-N 3.23Å
190	E	90.2	Very high	83.5	Confident	51 Å²	51	72.3 Å²	72.3	24%	0.238	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	118.2	170.8	-76	-176.2	-134.7	0	0	110.8	R222	E190-R222 HydrophobicContact CB-CB 3.9Å; E190-R222 WeakPolarHBondContact O-CB 3.21Å; E190-R222 PolarHBondContact O-N 2.94Å; E190-R222 WeakPolarHBondContact OE2-CD 3.41Å; E190-R222 IonicContact OE2-CZ 3.2Å; E190-R222 IonicContact OE2-NE 3.08Å; E190-R222 IonicContact OE2-NH1 2.77Å; E190-R222 PolarHBondContact OE2-NH1 3.41Å
191	M	91.6	Very high	84.2	Confident	0 Å²	0	78.2 Å²	78.2	0%	0	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	140.6	177.5	-74.3	-68	-155.5	0	0	111.2	T155 L219 R220 R221 T250 I251 I252 C253	T155-M191 HydrophobicContact CG2-CE 3.9Å; T155-M191 WeakPolarHBondContact OG1-CE 3.38Å; M191-L219 HydrophobicContact CB-CB 4.48Å; M191-L219 HydrophobicContact CB-CD1 4.05Å; M191-L219 HydrophobicContact CB-CD2 4.42Å; M191-L219 HydrophobicContact CG-CD1 4.05Å; M191-L219 HydrophobicContact SD-CB 4.05Å; M191-L219 HydrophobicContact SD-CD1 4.38Å; M191-R220 VanDerWaalsContact SD-C 3.54Å; M191-R221 HydrophobicContact CE-CG 3.86Å; M191-R221 HydrophobicContact SD-CB 4.33Å; M191-R221 HydrophobicContact SD-CG 3.76Å; M191-R221 PolarHBondContact SD-N 3.13Å; M191-R221 VanDerWaalsContact SD-N 3.41Å; M191-T250 HydrophobicContact CG-CG2 3.98Å; M191-I251 PolarHBondContact N-O 3.2Å; M191-I252 HydrophobicContact CB-CG1 4.25Å; M191-C253 PolarHBondContact O-N 3.25Å
192	V	92.5	Very high	85.3	Confident	33 Å²	33	77.8 Å²	77.8	20%	0.2	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	132.4	176.6	-176.6	0	0	0	0	110.1	T194 R220 R222 R255	V192-T194 PolarHBondContact O-N 3.07Å; V192-R220 PolarHBondContact N-O 3.39Å; V192-R220 PolarHBondContact O-N 2.9Å; V192-R222 HydrophobicContact CG2-CB 4.24Å; V192-R222 HydrophobicContact CG2-CG 4.28Å; V192-R255 HydrophobicContact CG1-CB 4.18Å; V192-R255 HydrophobicContact CG1-CG 4.48Å
193	V	93.8	Very high	86.4	Confident	11 Å²	11	76.6 Å²	76.6	7%	0.067	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	122.4	172.7	176.4	0	0	0	0	109.8	Y153 Y217 L219 I252 C253 R255	Y153-V193 HydrophobicContact CD1-CG2 4.33Å; Y153-V193 HydrophobicContact CE1-CG2 3.87Å; V193-Y217 HydrophobicContact CG1-CD1 3.78Å; V193-Y217 HydrophobicContact CG1-CG 4.25Å; V193-L219 HydrophobicContact CG2-CD2 4.03Å; V193-I252 HydrophobicContact CG2-CG2 4.08Å; V193-C253 PolarHBondContact N-O 3.18Å; V193-R255 VanDerWaalsContact O-CB 3.26Å; V193-R255 WeakPolarHBondContact O-CB 3.07Å; V193-R255 WeakPolarHBondContact O-CD 3.21Å
194	T	91.5	Very high	87.8	Confident	59 Å²	59	69.3 Å²	69.3	36%	0.362	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	-23.9	-178.9	62.3	0	0	0	0	113.9	V192 R218 R220	V192-T194 PolarHBondContact O-N 3.07Å; T194-R218 PolarHBondContact N-O 3.21Å; T194-R218 PolarHBondContact OG1-O 2.82Å; T194-R220 HydrophobicContact CG2-CB 3.46Å; T194-R220 VanDerWaalsContact CG2-CB 3.46Å
195	G	91.4	Very high	89	Confident	34 Å²	34	70.9 Å²	70.9	35%	0.351	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	162.3	167.1	178.8	0	0	0	0	0	112.6	Y217 R218	G195-Y217 WeakPolarHBondContact O-CA 3.48Å; G195-R218 PolarHBondContact O-N 3.16Å
196	R	93.8	Very high	89.8	Confident	136 Å²	136	66.2 Å²	66.2	51%	0.513	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	128.6	177.7	-170.4	-178.1	-177.6	149.3	4.9	111.2	E215 T216 Y217	R196-E215 IonicContact CZ-OE1 2.76Å; R196-E215 IonicContact NH1-OE1 3.58Å; R196-E215 PolarHBondContact NH1-OE1 2.78Å; R196-E215 IonicContact NH2-OE1 3.74Å; R196-E215 PolarHBondContact NH2-OE1 3.38Å; R196-T216 CarbonylContact C-O 3.52Å; R196-T216 VanDerWaalsContact CG-O 3.31Å; R196-T216 WeakPolarHBondContact CG-O 3.44Å; R196-Y217 HydrophobicContact CB-CD1 4.07Å; R196-Y217 HydrophobicContact CB-CE1 4.07Å; R196-Y217 HydrophobicContact CG-CD1 4.49Å; R196-Y217 HydrophobicContact CG-CE1 4.37Å
197	L	92.7	Very high	90.6	Very high	48 Å²	48	64 Å²	64	25%	0.251	31%	0.305	S	S	.	.			trans	-79.9	124.7	172.3	-71.8	170.7	0	0	0	109.8	I154 T216 R218	I154-L197 HydrophobicContact CB-CD1 3.82Å; I154-L197 HydrophobicContact CG1-CD1 3.68Å; I154-L197 HydrophobicContact CG2-CD1 4.46Å; L197-T216 HydrophobicContact CB-CG2 4.12Å; L197-T216 HydrophobicContact CD1-CG2 4.07Å; L197-T216 PolarHBondContact N-O 3.34Å; L197-R218 HydrophobicContact CD1-CB 4.03Å; L197-R218 HydrophobicContact CD2-CB 4.17Å; L197-R218 HydrophobicContact CG-CB 3.99Å
198	R	87.8	Confident	91.1	Very high	235 Å²	235	65.3 Å²	65.3	89%	0.887	31%	0.308	S	S	*	.			trans	-102.5	-17.5	177.4	-64.2	-173.8	-178.4	-172.1	0.4	114.1
199	N	86.8	Confident	91.5	Very high	68 Å²	68	70.6 Å²	70.6	36%	0.364	33%	0.325	S	S	.	.			trans	-118.4	87.3	-174.2	-174.8	31.5	0	0	0	111.2	R201	N199-R201 PolarHBondContact O-N 3.4Å; N199-R201 VanDerWaalsContact O-N 3.17Å; N199-R201 PolarHBondContact OD1-NE 2.86Å
200	M	87.4	Confident	91.8	Very high	38 Å²	38	70.3 Å²	70.3	19%	0.187	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-66.7	-13.8	-177.9	-56	-60.6	-84	0	0	113.8	Q202 L203 C211 T216	M200-Q202 PolarHBondContact O-N 2.95Å; M200-L203 HydrophobicContact CB-CD1 4.39Å; M200-L203 HydrophobicContact CE-CD1 3.57Å; M200-L203 WeakPolarHBondContact O-CB 3.21Å; M200-L203 WeakPolarHBondContact O-CG 3.22Å; M200-L203 PolarHBondContact O-N 3.38Å; M200-L203 HydrophobicContact SD-CD1 3.62Å; M200-C211 HydrophobicContact CE-CB 3.5Å; M200-C211 VanDerWaalsContact CE-CB 3.5Å; M200-T216 HydrophobicContact CE-CG2 3.85Å; M200-T216 WeakPolarHBondContact CE-OG1 3.48Å; M200-T216 HydrophobicContact SD-CG2 3.86Å
201	R	85	Confident	92.1	Very high	215 Å²	215	68 Å²	68	81%	0.811	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-59.7	-19.9	-174.4	-71	-176	-80.8	-167.1	-8.9	115.1	N199	N199-R201 PolarHBondContact O-N 3.4Å; N199-R201 VanDerWaalsContact O-N 3.17Å; N199-R201 PolarHBondContact OD1-NE 2.86Å
202	Q	86	Confident	92.3	Very high	139 Å²	139	75.1 Å²	75.1	65%	0.65	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-85.3	-16.4	178.7	-68.4	176.2	-13.9	0	0	113.2	R139 M200 G204	R139-Q202 PolarHBondContact NH1-O 2.85Å; M200-Q202 PolarHBondContact O-N 2.95Å; Q202-G204 PolarHBondContact O-N 3.29Å
203	L	90.8	Very high	92.3	Very high	12 Å²	12	77.3 Å²	77.3	6%	0.063	38%	0.375	C	S	.	.	S	Bend	trans	-80.7	-14.6	-168	-56.9	-178.5	0	0	0	115.2	R139 L141 I154 M200 I207 T216	R139-L203 WeakPolarHBondContact CD-O 3.37Å; L141-L203 HydrophobicContact CD1-CD2 4.05Å; I154-L203 HydrophobicContact CD1-CD1 4.23Å; I154-L203 HydrophobicContact CG1-CD1 4.12Å; I154-L203 HydrophobicContact CG1-CD2 4.24Å; I154-L203 HydrophobicContact CG2-CD2 3.86Å; M200-L203 HydrophobicContact CB-CD1 4.39Å; M200-L203 HydrophobicContact CE-CD1 3.57Å; M200-L203 WeakPolarHBondContact O-CB 3.21Å; M200-L203 WeakPolarHBondContact O-CG 3.22Å; M200-L203 PolarHBondContact O-N 3.38Å; M200-L203 HydrophobicContact SD-CD1 3.62Å; L203-I207 HydrophobicContact CB-CB 4.08Å; L203-I207 HydrophobicContact CB-CG2 3.75Å; L203-I207 HydrophobicContact CD1-CG2 3.91Å; L203-I207 HydrophobicContact CG-CG2 4.33Å; L203-T216 HydrophobicContact CD1-CG2 4.47Å
204	G	93.1	Very high	92.4	Very high	9 Å²	9	79.5 Å²	79.5	9%	0.093	38%	0.383	C	S	.	.			trans	85.8	168.2	-176.7	0	0	0	0	0	114.4	R139 Q202 H208	R139-G204 VanDerWaalsContact CZ-CA 3.44Å; Q202-G204 PolarHBondContact O-N 3.29Å; G204-H208 WeakPolarHBondContact O-CB 3.42Å; G204-H208 PolarHBondContact O-N 3.22Å
205	P	94.8	Very high	92.6	Very high	71 Å²	71	80 Å²	80	46%	0.461	38%	0.381	S	S	.	.	H	α-helix	trans	-69	-36.1	-170.3	27.8	-34.3	0	0	0	113	R209	P205-R209 WeakPolarHBondContact O-CB 3.07Å; P205-R209 PolarHBondContact O-N 3.35Å
206	F	95.2	Very high	92.8	Very high	29 Å²	29	78.5 Å²	78.5	13%	0.127	37%	0.366	C	S	.	.	H	α-helix	trans	-69.4	-54.4	-176.2	-43.3	-64.7	0	0	0	110.9	E113 Y115 V134 H208 R209 L210	E113-F206 HydrophobicContact CB-CE1 4.27Å; E113-F206 HydrophobicContact CB-CZ 3.75Å; E113-F206 HydrophobicContact CG-CE1 4.43Å; E113-F206 HydrophobicContact CG-CZ 4.18Å; Y115-F206 AromaticContact CD1-CD1 3.77Å; Y115-F206 HydrophobicContact CD1-CD1 3.77Å; Y115-F206 HydrophobicContact CD1-CD2 4.03Å; Y115-F206 AromaticContact CD1-CE1 3.67Å; Y115-F206 HydrophobicContact CD1-CE1 3.67Å; Y115-F206 AromaticContact CD1-CE2 3.93Å; Y115-F206 HydrophobicContact CD1-CE2 3.93Å; Y115-F206 AromaticContact CD1-CG 3.96Å; Y115-F206 HydrophobicContact CD1-CG 3.96Å; Y115-F206 AromaticContact CD1-CZ 3.77Å; Y115-F206 HydrophobicContact CD1-CZ 3.77Å; Y115-F206 HydrophobicContact CD2-CB 4.22Å; Y115-F206 HydrophobicContact CD2-CD1 4.23Å; Y115-F206 HydrophobicContact CD2-CG 4.09Å; Y115-F206 AromaticContact CE1-CD1 3.54Å; Y115-F206 HydrophobicContact CE1-CD1 3.54Å; Y115-F206 AromaticContact CE1-CE1 3.39Å; Y115-F206 HydrophobicContact CE1-CE1 3.39Å; Y115-F206 HydrophobicContact CE1-CE2 4.49Å; Y115-F206 HydrophobicContact CE1-CG 4.2Å; Y115-F206 AromaticContact CE1-CZ 3.92Å; Y115-F206 HydrophobicContact CE1-CZ 3.92Å; Y115-F206 HydrophobicContact CE2-CB 4.43Å; Y115-F206 AromaticContact CE2-CD1 4Å; Y115-F206 HydrophobicContact CE2-CD1 4Å; Y115-F206 HydrophobicContact CE2-CG 4.28Å; Y115-F206 HydrophobicContact CG-CB 4.47Å; Y115-F206 HydrophobicContact CG-CD1 4.12Å; Y115-F206 HydrophobicContact CG-CD2 4.05Å; Y115-F206 HydrophobicContact CG-CE1 4.45Å; Y115-F206 HydrophobicContact CG-CE2 4.36Å; Y115-F206 AromaticContact CG-CG 3.93Å; Y115-F206 HydrophobicContact CG-CG 3.93Å; Y115-F206 AromaticContact CZ-CD1 3.66Å; Y115-F206 AromaticContact CZ-CE1 3.94Å; V134-F206 HydrophobicContact CG1-CB 4.03Å; F206-H208 VanDerWaalsContact C-N 3.33Å; F206-H208 PolarHBondContact O-N 3Å; F206-R209 WeakPolarHBondContact O-CB 3.41Å; F206-R209 PolarHBondContact O-N 3.19Å; F206-R209 VanDerWaalsContact O-N 3.14Å; F206-L210 PolarHBondContact O-N 2.99Å
207	I	96.8	Very high	92.9	Very high	0 Å²	0	73.7 Å²	73.7	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-63.7	-37	175.6	-62.1	177.1	0	0	0	111.4	V134 D136 L141 A143 I154 L203 R209 L210 C211	V134-I207 HydrophobicContact CG1-CG1 4.06Å; D136-I207 HydrophobicContact CB-CD1 3.99Å; D136-I207 HydrophobicContact CB-CG1 4.44Å; L141-I207 HydrophobicContact CB-CD1 3.6Å; L141-I207 HydrophobicContact CD1-CD1 4.3Å; A143-I207 HydrophobicContact CB-CB 4.19Å; A143-I207 HydrophobicContact CB-CD1 3.99Å; A143-I207 HydrophobicContact CB-CG1 3.75Å; A143-I207 HydrophobicContact CB-CG2 3.59Å; I154-I207 HydrophobicContact CD1-CG2 3.63Å; L203-I207 HydrophobicContact CB-CB 4.08Å; L203-I207 HydrophobicContact CB-CG2 3.75Å; L203-I207 HydrophobicContact CD1-CG2 3.91Å; L203-I207 HydrophobicContact CG-CG2 4.33Å; I207-R209 VanDerWaalsContact C-N 3.34Å; I207-R209 PolarHBondContact O-N 2.96Å; I207-L210 PolarHBondContact O-N 3.45Å; I207-C211 WeakPolarHBondContact O-CB 3.22Å; I207-C211 PolarHBondContact O-N 2.9Å
208	H	95.6	Very high	93	Very high	76 Å²	76	76.9 Å²	76.9	35%	0.352	36%	0.356	S	S	.	.	H	α-helix	trans	-65.2	-35.6	174.7	-176.4	-72.1	0	0	0	112.5	G204 F206 F212	G204-H208 WeakPolarHBondContact O-CB 3.42Å; G204-H208 PolarHBondContact O-N 3.22Å; F206-H208 VanDerWaalsContact C-N 3.33Å; F206-H208 PolarHBondContact O-N 3Å; H208-F212 AromaticContact CE1-CD2 3.56Å; H208-F212 AromaticContact CE1-CE2 3.96Å; H208-F212 WeakPolarHBondContact O-CB 3.41Å; H208-F212 PolarHBondContact O-N 2.72Å
209	R	95.3	Very high	93.3	Very high	184 Å²	184	65.9 Å²	65.9	69%	0.694	32%	0.315	S	S	*	.	H	α-helix	trans	-65.9	-47.1	174.8	-174.1	-171.3	-65	167.2	-0.5	110.7	P205 F206 I207	P205-R209 WeakPolarHBondContact O-CB 3.07Å; P205-R209 PolarHBondContact O-N 3.35Å; F206-R209 WeakPolarHBondContact O-CB 3.41Å; F206-R209 PolarHBondContact O-N 3.19Å; F206-R209 VanDerWaalsContact O-N 3.14Å; I207-R209 VanDerWaalsContact C-N 3.34Å; I207-R209 PolarHBondContact O-N 2.96Å
210	L	96.6	Very high	93.6	Very high	29 Å²	29	70.7 Å²	70.7	15%	0.152	33%	0.328	C	S	.	.	H	α-helix	trans	-59.5	-51.2	178.1	-179	67.8	0	0	0	112	D132 V134 A143 Y145 F206 I207 F212	D132-L210 HydrophobicContact CB-CD1 3.66Å; V134-L210 HydrophobicContact CB-CD2 4.21Å; V134-L210 HydrophobicContact CG2-CD2 3.95Å; A143-L210 HydrophobicContact CB-CD2 4.06Å; Y145-L210 HydrophobicContact CD1-CD1 4.21Å; Y145-L210 HydrophobicContact CG-CD1 4.37Å; F206-L210 PolarHBondContact O-N 2.99Å; I207-L210 PolarHBondContact O-N 3.45Å; L210-F212 VanDerWaalsContact C-N 3.34Å; L210-F212 PolarHBondContact O-N 3.5Å
211	C	96.4	Very high	93.7	Very high	1 Å²	1	73 Å²	73	1%	0.007	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	17.5	-171.9	-60.7	0	0	0	0	114.4	C152 M200 I207 G213 K214	C152-C211 HydrophobicContact CB-CB 3.64Å; C152-C211 WeakPolarHBondContact CB-SG 3.23Å; C152-C211 WeakPolarHBondContact SG-CA 3.13Å; C152-C211 WeakPolarHBondContact SG-CB 3.35Å; C152-C211 CovalentContact SG-SG 2.03Å; C152-C211 PolarHBondContact SG-SG 3.2Å; M200-C211 HydrophobicContact CE-CB 3.5Å; M200-C211 VanDerWaalsContact CE-CB 3.5Å; I207-C211 WeakPolarHBondContact O-CB 3.22Å; I207-C211 PolarHBondContact O-N 2.9Å; C211-G213 PolarHBondContact O-N 3.44Å; C211-K214 PolarHBondContact O-N 3.11Å
212	F	94.4	Very high	93.6	Very high	151 Å²	151	66 Å²	66	66%	0.662	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	124.4	-176	-170.6	-108.4	0	0	0	111.7	H208 L210 K214	H208-F212 AromaticContact CE1-CD2 3.56Å; H208-F212 AromaticContact CE1-CE2 3.96Å; H208-F212 WeakPolarHBondContact O-CB 3.41Å; H208-F212 PolarHBondContact O-N 2.72Å; L210-F212 VanDerWaalsContact C-N 3.34Å; L210-F212 PolarHBondContact O-N 3.5Å; F212-K214 PolarHBondContact O-N 2.81Å
213	G	93.3	Very high	93	Very high	79 Å²	79	64.1 Å²	64.1	81%	0.814	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.4	-2.9	-177.4	0	0	0	0	0	115.6	C211	C211-G213 PolarHBondContact O-N 3.44Å
214	K	95.1	Very high	91.6	Very high	57 Å²	57	71.7 Å²	71.7	25%	0.248	34%	0.338	C	S	.	.	S	Bend	trans	-89.6	152.2	-174.8	-55.3	-60	174.9	170.5	0	113.2	Y145 D150 C152 C211 F212 T216	Y145-K214 HydrophobicContact CD2-CG 4.32Å; Y145-K214 HydrophobicContact CE2-CD 3.78Å; Y145-K214 HydrophobicContact CE2-CG 3.93Å; Y145-K214 WeakPolarHBondContact OH-CE 3.4Å; Y145-K214 PolarHBondContact OH-NZ 2.83Å; Y145-K214 VanDerWaalsContact OH-NZ 3.15Å; D150-K214 IonicContact OD1-NZ 2.58Å; D150-K214 PolarHBondContact OD1-NZ 2.92Å; D150-K214 WeakPolarHBondContact OD2-CD 3.31Å; D150-K214 IonicContact OD2-NZ 2.86Å; D150-K214 PolarHBondContact OD2-NZ 2.99Å; C152-K214 HydrophobicContact CB-CB 4.47Å; C211-K214 PolarHBondContact O-N 3.11Å; F212-K214 PolarHBondContact O-N 2.81Å; K214-T216 PolarHBondContact O-N 3.06Å; K214-T216 PolarHBondContact O-OG1 3.44Å
215	E	95.3	Very high	89.8	Confident	69 Å²	69	83.1 Å²	83.1	32%	0.322	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	106.1	171.4	-60.4	-143.7	119.2	0	0	109.7	K151 C152 R196 Y217	K151-E215 HydrophobicContact CG-CB 4.26Å; C152-E215 PolarHBondContact N-O 2.84Å; R196-E215 IonicContact CZ-OE1 2.76Å; R196-E215 IonicContact NH1-OE1 3.58Å; R196-E215 PolarHBondContact NH1-OE1 2.78Å; R196-E215 IonicContact NH2-OE1 3.74Å; R196-E215 PolarHBondContact NH2-OE1 3.38Å; E215-Y217 HydrophobicContact CB-CE2 3.77Å; E215-Y217 WeakPolarHBondContact O-CD2 3.33Å; E215-Y217 PolarHBondContact OE2-OH 3.04Å
216	T	96.1	Very high	87.9	Confident	3 Å²	3	85.8 Å²	85.8	2%	0.018	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	132.8	-173.9	-56.2	0	0	0	0	111.7	C152 I154 R196 L197 M200 L203 K214	C152-T216 HydrophobicContact CB-CG2 4.03Å; C152-T216 CarbonylContact O-C 3.5Å; C152-T216 VanDerWaalsContact O-CA 3.3Å; C152-T216 WeakPolarHBondContact O-CA 3.23Å; I154-T216 HydrophobicContact CD1-CG2 4.09Å; I154-T216 HydrophobicContact CG1-CG2 3.6Å; R196-T216 CarbonylContact C-O 3.52Å; R196-T216 VanDerWaalsContact CG-O 3.31Å; R196-T216 WeakPolarHBondContact CG-O 3.44Å; L197-T216 HydrophobicContact CB-CG2 4.12Å; L197-T216 HydrophobicContact CD1-CG2 4.07Å; L197-T216 PolarHBondContact N-O 3.34Å; M200-T216 HydrophobicContact CE-CG2 3.85Å; M200-T216 WeakPolarHBondContact CE-OG1 3.48Å; M200-T216 HydrophobicContact SD-CG2 3.86Å; L203-T216 HydrophobicContact CD1-CG2 4.47Å; K214-T216 PolarHBondContact O-N 3.06Å; K214-T216 PolarHBondContact O-OG1 3.44Å
217	Y	95.8	Very high	86	Confident	35 Å²	35	93 Å²	93	14%	0.137	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	154.8	-177.4	-62.5	-93.1	0	0	0	111.6	K151 C152 Y153 I154 V193 G195 R196 E215	K151-Y217 HydrophobicContact CD-CE2 3.81Å; K151-Y217 HydrophobicContact CG-CE2 4.16Å; K151-Y217 PolarHBondContact NZ-OH 3.17Å; C152-Y217 PolarHBondContact O-N 2.72Å; Y153-Y217 HydrophobicContact CD1-CD2 4.43Å; Y153-Y217 HydrophobicContact CE1-CD2 4.02Å; Y153-Y217 HydrophobicContact CE1-CG 4.26Å; I154-Y217 PolarHBondContact N-O 3.01Å; V193-Y217 HydrophobicContact CG1-CD1 3.78Å; V193-Y217 HydrophobicContact CG1-CG 4.25Å; G195-Y217 WeakPolarHBondContact O-CA 3.48Å; R196-Y217 HydrophobicContact CB-CD1 4.07Å; R196-Y217 HydrophobicContact CB-CE1 4.07Å; R196-Y217 HydrophobicContact CG-CD1 4.49Å; R196-Y217 HydrophobicContact CG-CE1 4.37Å; E215-Y217 HydrophobicContact CB-CE2 3.77Å; E215-Y217 WeakPolarHBondContact O-CD2 3.33Å; E215-Y217 PolarHBondContact OE2-OH 3.04Å
218	R	95.3	Very high	84	Confident	115 Å²	115	101 Å²	101	43%	0.434	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	124.6	171.1	-172.3	173.6	-172.7	154	-0.1	110.5	I154 E156 T194 G195 L197	I154-R218 WeakPolarHBondContact O-CA 3.01Å; E156-R218 IonicContact OE1-CZ 3.76Å; E156-R218 IonicContact OE1-NE 3.85Å; E156-R218 IonicContact OE1-NH2 3.94Å; E156-R218 PolarHBondContact OE1-NH2 2.8Å; T194-R218 PolarHBondContact N-O 3.21Å; T194-R218 PolarHBondContact OG1-O 2.82Å; G195-R218 PolarHBondContact O-N 3.16Å; L197-R218 HydrophobicContact CD1-CB 4.03Å; L197-R218 HydrophobicContact CD2-CB 4.17Å; L197-R218 HydrophobicContact CG-CB 3.99Å
219	L	94.6	Very high	82.1	Confident	3 Å²	3	102.5 Å²	102.5	2%	0.016	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	163.9	171.2	-60.2	-176.8	0	0	0	111.7	Y144 Y153 I154 M191 V193 I252	Y144-L219 HydrophobicContact CD2-CD1 4.47Å; Y153-L219 HydrophobicContact CD1-CD2 3.69Å; Y153-L219 HydrophobicContact CD1-CG 4.33Å; Y153-L219 HydrophobicContact CG-CD2 4.29Å; I154-L219 PolarHBondContact O-N 3.49Å; M191-L219 HydrophobicContact CB-CB 4.48Å; M191-L219 HydrophobicContact CB-CD1 4.05Å; M191-L219 HydrophobicContact CB-CD2 4.42Å; M191-L219 HydrophobicContact CG-CD1 4.05Å; M191-L219 HydrophobicContact SD-CB 4.05Å; M191-L219 HydrophobicContact SD-CD1 4.38Å; V193-L219 HydrophobicContact CG2-CD2 4.03Å; L219-I252 HydrophobicContact CD1-CD1 3.97Å; L219-I252 HydrophobicContact CD1-CG1 4.06Å; L219-I252 HydrophobicContact CD2-CG2 3.61Å
220	R	92.1	Very high	80.1	Confident	170 Å²	170	104.1 Å²	104.1	64%	0.642	47%	0.465	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-147.1	136	164.3	-178.4	177.5	179.8	158	4.1	109.4	M191 V192 T194	M191-R220 VanDerWaalsContact SD-C 3.54Å; V192-R220 PolarHBondContact N-O 3.39Å; V192-R220 PolarHBondContact O-N 2.9Å; T194-R220 HydrophobicContact CG2-CB 3.46Å; T194-R220 VanDerWaalsContact CG2-CB 3.46Å
221	R	89.5	Confident	78.1	Confident	85 Å²	85	115 Å²	115	32%	0.321	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.7	135.8	172.6	-75.4	-174.6	172.9	96	29	111.1	N158 E189 M191 N223	N158-R221 VanDerWaalsContact CG-NH1 3.35Å; N158-R221 PolarHBondContact ND2-NH2 2.85Å; N158-R221 PolarHBondContact OD1-NH1 3.34Å; E189-R221 VanDerWaalsContact CD-NE 3.25Å; E189-R221 IonicContact OE1-CZ 3.98Å; E189-R221 IonicContact OE1-NE 2.73Å; E189-R221 PolarHBondContact OE1-NE 3.33Å; E189-R221 VanDerWaalsContact OE1-NE 3.08Å; E189-R221 IonicContact OE1-NH2 3.23Å; E189-R221 PolarHBondContact OE1-NH2 3.48Å; E189-R221 IonicContact OE2-CZ 2.8Å; E189-R221 IonicContact OE2-NE 2.81Å; E189-R221 PolarHBondContact OE2-NE 2.88Å; E189-R221 IonicContact OE2-NH2 3.45Å; E189-R221 PolarHBondContact OE2-NH2 3.44Å; M191-R221 HydrophobicContact CE-CG 3.86Å; M191-R221 HydrophobicContact SD-CB 4.33Å; M191-R221 HydrophobicContact SD-CG 3.76Å; M191-R221 PolarHBondContact SD-N 3.13Å; M191-R221 VanDerWaalsContact SD-N 3.41Å; R221-N223 PolarHBondContact O-N 2.78Å
222	R	84.2	Confident	76	Confident	68 Å²	68	120.7 Å²	120.7	26%	0.257	53%	0.531	S	S	.	.			trans	-79.7	115.8	173.8	-160.8	-173.6	-168	-175.5	4.5	109.6	E190 V192 Q224 E229	E190-R222 HydrophobicContact CB-CB 3.9Å; E190-R222 WeakPolarHBondContact O-CB 3.21Å; E190-R222 PolarHBondContact O-N 2.94Å; E190-R222 WeakPolarHBondContact OE2-CD 3.41Å; E190-R222 IonicContact OE2-CZ 3.2Å; E190-R222 IonicContact OE2-NE 3.08Å; E190-R222 IonicContact OE2-NH1 2.77Å; E190-R222 PolarHBondContact OE2-NH1 3.41Å; V192-R222 HydrophobicContact CG2-CB 4.24Å; V192-R222 HydrophobicContact CG2-CG 4.28Å; R222-Q224 PolarHBondContact O-N 2.81Å; R222-E229 IonicContact CZ-OE2 2.81Å; R222-E229 IonicContact NH2-OE2 2.71Å; R222-E229 PolarHBondContact NH2-OE2 3.32Å
223	N	71.9	Confident	74.1	Confident	101 Å²	101	118.2 Å²	118.2	54%	0.54	54%	0.538	S	S	.	.			trans	-65.4	127.5	176.1	-79	-15.6	0	0	0	110.4	R221 R225 Q226	R221-N223 PolarHBondContact O-N 2.78Å; N223-R225 PolarHBondContact O-N 3.19Å; N223-Q226 PolarHBondContact O-N 3.27Å
224	Q	61.4	Low	73	Confident	171 Å²	171	117.4 Å²	117.4	80%	0.799	51%	0.512	S	S	*	.	G	3₁₀ helix	trans	-53.8	-26	-178.3	-66.6	-177.2	-3.4	0	0	114.1	R222 Q226 R227	R222-Q224 PolarHBondContact O-N 2.81Å; Q224-Q226 PolarHBondContact O-N 2.99Å; Q224-R227 PolarHBondContact O-N 3.38Å
225	R	56.1	Low	72.4	Confident	249 Å²	249	121 Å²	121	94%	0.94	53%	0.528	S	S	*	.	G	3₁₀ helix	trans	-64.5	-13.4	174.8	-63.7	-174.5	-178.4	-178.4	0.7	114.1	N223	N223-R225 PolarHBondContact O-N 3.19Å
226	Q	55.5	Low	72.2	Confident	127 Å²	127	120.3 Å²	120.3	59%	0.593	53%	0.53	S	S	*	.	G	3₁₀ helix	trans	-105.8	28	177	-68	-179.6	-45.3	0	0	112.8	N223 Q224 I228	N223-Q226 PolarHBondContact O-N 3.27Å; Q224-Q226 PolarHBondContact O-N 2.99Å; Q226-I228 PolarHBondContact O-N 2.85Å
227	R	55.1	Low	71.9	Confident	179 Å²	179	120.9 Å²	120.9	68%	0.675	53%	0.533	S	S	*	.			trans	-66.2	-14.1	175.9	-116.2	179.5	177.4	-178.8	-1.1	114.6	Q224 E229	Q224-R227 PolarHBondContact O-N 3.38Å; R227-E229 PolarHBondContact O-N 3.19Å
228	I	54.4	Low	71.7	Confident	168 Å²	168	122.2 Å²	122.2	86%	0.862	54%	0.537	S	S	*	.			trans	-96.6	73.2	-179.4	-46.5	179.6	0	0	0	110	Q226	Q226-I228 PolarHBondContact O-N 2.85Å
229	E	56.2	Low	71.6	Confident	109 Å²	109	116.8 Å²	116.8	51%	0.509	52%	0.517	S	S	.	.	S	Bend	trans	-116.5	155.6	156.9	-74.3	-178	142.4	0	0	108.5	R222 R227 K234	R222-E229 IonicContact CZ-OE2 2.81Å; R222-E229 IonicContact NH2-OE2 2.71Å; R222-E229 PolarHBondContact NH2-OE2 3.32Å; R227-E229 PolarHBondContact O-N 3.19Å; E229-K234 IonicContact OE1-NZ 3.06Å; E229-K234 IonicContact OE2-NZ 3.86Å; E229-K234 PolarHBondContact OE2-NZ 2.88Å
230	R	52.5	Low	71.4	Confident	218 Å²	218	117 Å²	117	82%	0.823	52%	0.518	S	S	*	.			trans	-58.7	145.1	174.5	-100.6	-179.4	170.3	176.9	-3	110.8	E232	R230-E232 PolarHBondContact O-N 3.48Å
231	R	54.2	Low	71.4	Confident	257 Å²	257	108.9 Å²	108.9	97%	0.97	49%	0.487	S	S	*	.			trans	-74.4	61.7	170.4	-65.1	-175.2	-176.8	176	0.3	111.3
232	E	54.3	Low	71.3	Confident	121 Å²	121	105.4 Å²	105.4	57%	0.565	47%	0.474	S	S	*	.			trans	-67.9	143.4	156	-74.3	165.6	-161.1	0	0	108.2	R230 K234	R230-E232 PolarHBondContact O-N 3.48Å; E232-K234 PolarHBondContact O-N 2.93Å
233	A	53.6	Low	71.3	Confident	99 Å²	99	102.8 Å²	102.8	82%	0.818	47%	0.465	S	S	*	.			trans	-75.6	70.4	-178.2	0	0	0	0	0	110.6	K235	A233-K235 PolarHBondContact O-N 2.84Å
234	K	70.2	Confident	71.8	Confident	61 Å²	61	98.6 Å²	98.6	27%	0.265	44%	0.442	S	S	.	.			trans	-54.3	129.3	171.2	-62.7	-173.2	-178.6	-173.3	0	108	E229 E232 C236 F256	E229-K234 IonicContact OE1-NZ 3.06Å; E229-K234 IonicContact OE2-NZ 3.86Å; E229-K234 PolarHBondContact OE2-NZ 2.88Å; E232-K234 PolarHBondContact O-N 2.93Å; K234-C236 PolarHBondContact O-N 2.9Å; K234-C236 PolarHBondContact O-SG 2.92Å; K234-F256 HydrophobicContact CB-CE2 4.33Å; K234-F256 HydrophobicContact CG-CD2 4.27Å; K234-F256 HydrophobicContact CG-CE2 3.94Å
235	K	83.3	Confident	72.8	Confident	132 Å²	132	91.9 Å²	91.9	57%	0.574	41%	0.413	S	S	*	.			trans	-68.9	107.2	175.8	-169.5	-175.8	179.3	-172.6	0	107.4	A233 D254	A233-K235 PolarHBondContact O-N 2.84Å; K235-D254 PolarHBondContact O-N 2.96Å
236	C	89.4	Confident	74.2	Confident	56 Å²	56	81.2 Å²	81.2	38%	0.378	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	136.8	179	-47.2	0	0	0	0	110.2	K234 I251 I252 C253	K234-C236 PolarHBondContact O-N 2.9Å; K234-C236 PolarHBondContact O-SG 2.92Å; C236-I251 HydrophobicContact CB-CG2 3.89Å; C236-I252 CarbonylContact C-O 3.52Å; C236-I252 WeakPolarHBondContact CA-O 3.49Å; C236-C253 HydrophobicContact CB-CB 4.07Å; C236-C253 WeakPolarHBondContact CB-SG 3.28Å; C236-C253 WeakPolarHBondContact SG-CB 3.41Å; C236-C253 CovalentContact SG-SG 2.04Å; C236-C253 PolarHBondContact SG-SG 2.62Å
237	H	90.5	Very high	75.7	Confident	14 Å²	14	75.1 Å²	75.1	7%	0.065	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	165.7	173.2	44.2	-70.6	0	0	0	108.7	D129 D146 L149 Y153 I251 I252	D129-H237 VanDerWaalsContact OD2-CB 3.32Å; D129-H237 WeakPolarHBondContact OD2-CB 3.27Å; D146-H237 IonicContact OD2-CD2 2.63Å; D146-H237 PolarHBondContact OD2-CD2 3.46Å; D146-H237 IonicContact OD2-CG 2.75Å; D146-H237 IonicContact OD2-NE2 2.98Å; L149-H237 HydrophobicContact CD1-CB 4.13Å; Y153-H237 AromaticContact CE2-NE2 3.28Å; Y153-H237 VanDerWaalsContact CE2-NE2 3.28Å; Y153-H237 WeakPolarHBondContact CE2-NE2 3.48Å; Y153-H237 AromaticContact CZ-CE1 3.64Å; Y153-H237 AromaticContact CZ-NE2 3.26Å; Y153-H237 VanDerWaalsContact CZ-NE2 3.26Å; Y153-H237 PolarHBondContact OH-CE1 2.9Å; Y153-H237 VanDerWaalsContact OH-CE1 3.28Å; Y153-H237 PolarHBondContact OH-NE2 3.43Å; H237-I251 WeakPolarHBondContact O-CA 3.41Å; H237-I252 VanDerWaalsContact CE1-CG2 3.41Å; H237-I252 WeakPolarHBondContact CE1-CG2 3.04Å; H237-I252 PolarHBondContact N-O 2.93Å; H237-I252 PolarHBondContact ND1-O 3.33Å; H237-I252 WeakPolarHBondContact NE2-CB 3.38Å; H237-I252 VanDerWaalsContact NE2-CG2 3.34Å; H237-I252 WeakPolarHBondContact NE2-CG2 3.29Å; H237-I252 PolarHBondContact O-N 3.36Å
238	R	91.6	Very high	77.3	Confident	64 Å²	64	66.9 Å²	66.9	24%	0.242	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	123.9	-173.4	-55	-165.1	-172.3	-164.2	2.7	110.8	S128 D129 E249 T250 I251	S128-R238 CarbonylContact C-O 3.56Å; S128-R238 VanDerWaalsContact CA-O 3.32Å; S128-R238 WeakPolarHBondContact CA-O 3.39Å; S128-R238 PolarHBondContact OG-O 2.9Å; S128-R238 VanDerWaalsContact OG-O 3.11Å; D129-R238 PolarHBondContact N-O 2.95Å; D129-R238 PolarHBondContact OD2-N 2.91Å; R238-E249 HydrophobicContact CB-CG 4.42Å; R238-E249 VanDerWaalsContact CD-OE1 3.24Å; R238-E249 WeakPolarHBondContact CD-OE1 3.37Å; R238-E249 IonicContact CZ-OE1 3.77Å; R238-E249 IonicContact CZ-OE2 3.93Å; R238-E249 IonicContact NE-OE1 2.92Å; R238-E249 IonicContact NH1-OE1 2.72Å; R238-E249 PolarHBondContact NH1-OE1 2.97Å; R238-E249 IonicContact NH1-OE2 3.77Å; R238-E249 PolarHBondContact NH1-OE2 3.25Å; R238-T250 WeakPolarHBondContact CA-O 3.29Å; R238-I251 HydrophobicContact CG-CD1 4.43Å; R238-I251 HydrophobicContact CG-CG1 4.1Å
239	I	93.6	Very high	79	Confident	0 Å²	0	59 Å²	59	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	128.4	171.3	-61.5	169.6	0	0	0	107.9	A131 I133 Y144 T250 I252	A131-I239 HydrophobicContact CB-CD1 3.79Å; A131-I239 HydrophobicContact CB-CG1 4.04Å; A131-I239 HydrophobicContact CB-CG2 3.72Å; I133-I239 HydrophobicContact CD1-CG2 4.05Å; Y144-I239 HydrophobicContact CD1-CD1 3.93Å; Y144-I239 HydrophobicContact CD1-CG2 4.22Å; Y144-I239 HydrophobicContact CG-CD1 4.25Å; I239-T250 PolarHBondContact N-O 2.76Å; I239-T250 PolarHBondContact O-N 3.19Å; I239-I252 HydrophobicContact CD1-CD1 4.15Å
240	R	90.8	Very high	80.8	Confident	8 Å²	8	53.8 Å²	53.8	3%	0.03	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	120.9	175.6	-66.3	-177.8	178.3	-169.1	-5.6	110.5	Y89 D91 Q101 V120 S128 V247 V248 E249	Y89-R240 PolarHBondContact OH-NH1 2.88Å; D91-R240 IonicContact OD2-CZ 2.8Å; D91-R240 IonicContact OD2-NH1 3.88Å; D91-R240 PolarHBondContact OD2-NH1 2.94Å; D91-R240 IonicContact OD2-NH2 3.66Å; D91-R240 PolarHBondContact OD2-NH2 3.32Å; Q101-R240 VanDerWaalsContact OE1-NH1 3.1Å; V120-R240 WeakPolarHBondContact CG1-O 3.38Å; S128-R240 PolarHBondContact OG-N 3.29Å; R240-V247 HydrophobicContact CB-CG1 4.45Å; R240-V248 VanDerWaalsContact CA-O 3.27Å; R240-V248 WeakPolarHBondContact CA-O 3.26Å; R240-E249 HydrophobicContact CG-CB 4.21Å; R240-E249 HydrophobicContact CG-CG 4.06Å; R240-E249 IonicContact CZ-OE1 3.74Å; R240-E249 VanDerWaalsContact CZ-OE1 3.23Å; R240-E249 IonicContact NE-OE1 3.1Å; R240-E249 PolarHBondContact NE-OE1 3.3Å; R240-E249 IonicContact NH2-OE1 2.66Å; R240-E249 PolarHBondContact NH2-OE1 2.99Å
241	H	90.9	Very high	82.7	Confident	0 Å²	0	44 Å²	44	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	167	177.2	71.2	-78.6	0	0	0	110.7	V120 I133 Y144 E243 V247 V248	V120-H241 HydrophobicContact CG2-CB 3.86Å; I133-H241 HydrophobicContact CD1-CB 3.63Å; I133-H241 VanDerWaalsContact CD1-CG 3.43Å; Y144-H241 AromaticContact CE1-CE1 3.86Å; H241-E243 IonicContact CD2-OE1 2.66Å; H241-E243 IonicContact CE1-OE1 3.43Å; H241-E243 IonicContact NE2-OE1 3.19Å; H241-E243 PolarHBondContact NE2-OE1 3.31Å; H241-V247 CarbonylContact O-C 3.51Å; H241-V247 WeakPolarHBondContact O-CA 3.38Å; H241-V248 PolarHBondContact N-O 3.48Å; H241-V248 PolarHBondContact O-N 2.94Å
242	F	88.8	Confident	84.6	Confident	12 Å²	12	31.8 Å²	31.8	5%	0.053	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	128.7	178.5	169.8	-96.2	0	0	0	111.1	V87 L103 E105 L172 P182 T184 N244 F246	V87-F242 HydrophobicContact CG1-CD2 4.31Å; V87-F242 HydrophobicContact CG2-CB 4.45Å; V87-F242 HydrophobicContact CG2-CD1 4.45Å; V87-F242 HydrophobicContact CG2-CD2 3.86Å; V87-F242 HydrophobicContact CG2-CE2 4.05Å; V87-F242 HydrophobicContact CG2-CG 4.05Å; V87-F242 HydrophobicContact CG2-CZ 4.41Å; L103-F242 HydrophobicContact CD2-CB 4.07Å; E105-F242 PolarHBondContact OE2-N 3.45Å; L172-F242 HydrophobicContact CD2-CE1 4.45Å; P182-F242 HydrophobicContact CB-CE2 4.28Å; P182-F242 HydrophobicContact CB-CZ 4.25Å; T184-F242 HydrophobicContact CG2-CE2 4.22Å; F242-N244 WeakPolarHBondContact CZ-O 3.25Å; F242-F246 WeakPolarHBondContact CD2-O 3.46Å
243	E	84.2	Confident	86.3	Confident	13 Å²	13	26.8 Å²	26.8	6%	0.061	15%	0.146	C	C	.	.			trans	-92.4	-31.6	-173.8	-82.1	-72.4	168.9	0	0	113.7	H135 V162 H241 F246 V248	H135-E243 IonicContact CE1-OE1 2.72Å; H135-E243 IonicContact CE1-OE2 2.62Å; V162-E243 VanDerWaalsContact CA-OE2 3.3Å; V162-E243 WeakPolarHBondContact CA-OE2 3.34Å; V162-E243 WeakPolarHBondContact CB-OE2 3.37Å; V162-E243 WeakPolarHBondContact CG1-OE2 3.42Å; V162-E243 VanDerWaalsContact CG2-OE2 3.29Å; V162-E243 WeakPolarHBondContact CG2-OE2 3.25Å; H241-E243 IonicContact CD2-OE1 2.66Å; H241-E243 IonicContact CE1-OE1 3.43Å; H241-E243 IonicContact NE2-OE1 3.19Å; H241-E243 PolarHBondContact NE2-OE1 3.31Å; E243-F246 HydrophobicContact CB-CE2 4.27Å; E243-F246 HydrophobicContact CB-CZ 4.45Å; E243-F246 HydrophobicContact CG-CE2 4.39Å; E243-F246 PolarHBondContact N-O 3.18Å; E243-V248 HydrophobicContact CB-CG2 4.4Å; E243-V248 HydrophobicContact CG-CB 4.3Å; E243-V248 HydrophobicContact CG-CG2 3.46Å; E243-V248 VanDerWaalsContact CG-CG2 3.46Å
244	N	81.9	Confident	87.9	Confident	12 Å²	12	24 Å²	24	6%	0.064	12%	0.117	C	C	.	.	S	Bend	trans	174.8	-38.2	177.9	40	67.5	0	0	0	112.7	A161 M163 L168 L171 F242	A161-N244 PolarHBondContact O-ND2 2.86Å; M163-N244 HydrophobicContact CB-CB 4.13Å; M163-N244 HydrophobicContact CE-CB 3.99Å; M163-N244 HydrophobicContact SD-CB 4.49Å; L168-N244 HydrophobicContact CD1-CB 4.26Å; L171-N244 HydrophobicContact CD2-CB 3.94Å; L171-N244 VanDerWaalsContact CD2-O 3.31Å; L171-N244 WeakPolarHBondContact CD2-O 3.44Å; F242-N244 WeakPolarHBondContact CZ-O 3.25Å
245	T	80.9	Confident	88.1	Confident	30 Å²	30	29.5 Å²	29.5	18%	0.184	14%	0.136	C	C	.	.	S	Bend	trans	-142.4	-30.9	-171.2	55.2	0	0	0	0	112.5	L171 Q183	L171-T245 HydrophobicContact CD2-CG2 4.48Å; Q183-T245 CarbonylContact C-O 3.49Å
246	F	86.1	Confident	86.9	Confident	25 Å²	25	32.2 Å²	32.2	11%	0.11	15%	0.148	C	C	.	.	S	Bend	trans	-118.4	159.6	173.6	53.1	-88.8	0	0	0	111.4	A161 Y185 V187 F242 E243 V248	A161-F246 HydrophobicContact CB-CZ 4.31Å; Y185-F246 HydrophobicContact CD1-CB 4.21Å; Y185-F246 HydrophobicContact CD2-CB 3.82Å; Y185-F246 HydrophobicContact CE1-CB 4Å; Y185-F246 HydrophobicContact CE1-CD1 4.5Å; Y185-F246 HydrophobicContact CE2-CB 3.59Å; Y185-F246 HydrophobicContact CE2-CD1 4.11Å; Y185-F246 AromaticContact CE2-CG 3.89Å; Y185-F246 HydrophobicContact CE2-CG 3.89Å; Y185-F246 HydrophobicContact CG-CB 4.11Å; Y185-F246 AromaticContact CZ-CD1 3.75Å; Y185-F246 AromaticContact CZ-CG 3.94Å; Y185-F246 WeakPolarHBondContact O-CA 3.48Å; Y185-F246 WeakPolarHBondContact O-CB 3.17Å; Y185-F246 WeakPolarHBondContact OH-CD1 3.27Å; V187-F246 HydrophobicContact CB-CD2 3.84Å; V187-F246 HydrophobicContact CB-CE2 4.11Å; V187-F246 HydrophobicContact CG2-CB 4.25Å; V187-F246 HydrophobicContact CG2-CD2 3.42Å; V187-F246 VanDerWaalsContact CG2-CD2 3.42Å; V187-F246 HydrophobicContact CG2-CE2 3.88Å; V187-F246 HydrophobicContact CG2-CG 3.85Å; F242-F246 WeakPolarHBondContact CD2-O 3.46Å; E243-F246 HydrophobicContact CB-CE2 4.27Å; E243-F246 HydrophobicContact CB-CZ 4.45Å; E243-F246 HydrophobicContact CG-CE2 4.39Å; E243-F246 PolarHBondContact N-O 3.18Å; F246-V248 HydrophobicContact CD2-CG2 3.8Å; F246-V248 HydrophobicContact CE2-CG2 3.52Å
247	V	87.3	Confident	86.8	Confident	0 Å²	0	31 Å²	31	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	132.3	169.1	177.4	0	0	0	0	108.2	V87 Y89 L103 Y185 I186 V187 R240 H241	V87-V247 HydrophobicContact CG1-CG2 3.73Å; Y89-V247 HydrophobicContact CD1-CG2 4.19Å; Y89-V247 HydrophobicContact CG-CG2 4.18Å; L103-V247 HydrophobicContact CD2-CG1 4.15Å; L103-V247 HydrophobicContact CD2-CG2 4.13Å; Y185-V247 PolarHBondContact O-N 2.88Å; I186-V247 CarbonylContact C-O 3.55Å; I186-V247 VanDerWaalsContact CA-O 3.31Å; I186-V247 WeakPolarHBondContact CA-O 3.31Å; V187-V247 PolarHBondContact N-O 3.48Å; R240-V247 HydrophobicContact CB-CG1 4.45Å; H241-V247 CarbonylContact O-C 3.51Å; H241-V247 WeakPolarHBondContact O-CA 3.38Å
248	V	89.6	Confident	86.6	Confident	6 Å²	6	31.9 Å²	31.9	4%	0.036	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	135.1	170	172.8	0	0	0	0	109.5	V187 R240 H241 E243 F246 T250	V187-V248 CarbonylContact O-C 3.59Å; V187-V248 VanDerWaalsContact O-CA 3.31Å; V187-V248 WeakPolarHBondContact O-CA 3.47Å; R240-V248 VanDerWaalsContact CA-O 3.27Å; R240-V248 WeakPolarHBondContact CA-O 3.26Å; H241-V248 PolarHBondContact N-O 3.48Å; H241-V248 PolarHBondContact O-N 2.94Å; E243-V248 HydrophobicContact CB-CG2 4.4Å; E243-V248 HydrophobicContact CG-CB 4.3Å; E243-V248 HydrophobicContact CG-CG2 3.46Å; E243-V248 VanDerWaalsContact CG-CG2 3.46Å; F246-V248 HydrophobicContact CD2-CG2 3.8Å; F246-V248 HydrophobicContact CE2-CG2 3.52Å; V248-T250 WeakPolarHBondContact CG1-OG1 3.34Å
249	E	90.1	Very high	86.3	Confident	2 Å²	2	30.1 Å²	30.1	1%	0.009	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	98	162.6	-175.1	178	-115.4	0	0	108.9	Y94 I186 V187 Q188 E189 R238 R240 I251	Y94-E249 WeakPolarHBondContact CE2-OE2 3.24Å; I186-E249 HydrophobicContact CG2-CB 4.08Å; V187-E249 PolarHBondContact O-N 3.13Å; Q188-E249 WeakPolarHBondContact CA-O 3.42Å; E189-E249 PolarHBondContact N-O 2.79Å; R238-E249 HydrophobicContact CB-CG 4.42Å; R238-E249 VanDerWaalsContact CD-OE1 3.24Å; R238-E249 WeakPolarHBondContact CD-OE1 3.37Å; R238-E249 IonicContact CZ-OE1 3.77Å; R238-E249 IonicContact CZ-OE2 3.93Å; R238-E249 IonicContact NE-OE1 2.92Å; R238-E249 IonicContact NH1-OE1 2.72Å; R238-E249 PolarHBondContact NH1-OE1 2.97Å; R238-E249 IonicContact NH1-OE2 3.77Å; R238-E249 PolarHBondContact NH1-OE2 3.25Å; R240-E249 HydrophobicContact CG-CB 4.21Å; R240-E249 HydrophobicContact CG-CG 4.06Å; R240-E249 IonicContact CZ-OE1 3.74Å; R240-E249 VanDerWaalsContact CZ-OE1 3.23Å; R240-E249 IonicContact NE-OE1 3.1Å; R240-E249 PolarHBondContact NE-OE1 3.3Å; R240-E249 IonicContact NH2-OE1 2.66Å; R240-E249 PolarHBondContact NH2-OE1 2.99Å; E249-I251 HydrophobicContact CG-CG1 4Å; E249-I251 PolarHBondContact O-N 3.18Å
250	T	92.8	Very high	85.9	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	102.9	175.2	-60.5	0	0	0	0	108.5	Y144 M191 R238 I239 V248 I252	Y144-T250 HydrophobicContact CE1-CG2 4.42Å; Y144-T250 HydrophobicContact CE2-CG2 4.41Å; Y144-T250 PolarHBondContact OH-OG1 3.32Å; M191-T250 HydrophobicContact CG-CG2 3.98Å; R238-T250 WeakPolarHBondContact CA-O 3.29Å; I239-T250 PolarHBondContact N-O 2.76Å; I239-T250 PolarHBondContact O-N 3.19Å; V248-T250 WeakPolarHBondContact CG1-OG1 3.34Å; T250-I252 HydrophobicContact CG2-CD1 4.41Å; T250-I252 HydrophobicContact CG2-CG1 3.93Å
251	I	92.8	Very high	85.6	Confident	13 Å²	13	33.4 Å²	33.4	7%	0.067	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	108.3	175.8	-54.6	-165.4	0	0	0	108.9	Q188 E189 M191 C236 H237 R238 E249	Q188-I251 HydrophobicContact CG-CD1 3.82Å; Q188-I251 HydrophobicContact CG-CG1 4.01Å; E189-I251 PolarHBondContact O-N 3.23Å; M191-I251 PolarHBondContact N-O 3.2Å; C236-I251 HydrophobicContact CB-CG2 3.89Å; H237-I251 WeakPolarHBondContact O-CA 3.41Å; R238-I251 HydrophobicContact CG-CD1 4.43Å; R238-I251 HydrophobicContact CG-CG1 4.1Å; E249-I251 HydrophobicContact CG-CG1 4Å; E249-I251 PolarHBondContact O-N 3.18Å
252	I	93.6	Very high	85.2	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	118	178.9	-57	173	0	0	0	108.8	Y153 M191 V193 L219 C236 H237 I239 T250	Y153-I252 HydrophobicContact CD1-CG2 4.13Å; Y153-I252 HydrophobicContact CD2-CD1 4.03Å; Y153-I252 HydrophobicContact CE1-CG2 4.05Å; Y153-I252 HydrophobicContact CG-CD1 4.03Å; M191-I252 HydrophobicContact CB-CG1 4.25Å; V193-I252 HydrophobicContact CG2-CG2 4.08Å; L219-I252 HydrophobicContact CD1-CD1 3.97Å; L219-I252 HydrophobicContact CD1-CG1 4.06Å; L219-I252 HydrophobicContact CD2-CG2 3.61Å; C236-I252 CarbonylContact C-O 3.52Å; C236-I252 WeakPolarHBondContact CA-O 3.49Å; H237-I252 VanDerWaalsContact CE1-CG2 3.41Å; H237-I252 WeakPolarHBondContact CE1-CG2 3.04Å; H237-I252 PolarHBondContact N-O 2.93Å; H237-I252 PolarHBondContact ND1-O 3.33Å; H237-I252 WeakPolarHBondContact NE2-CB 3.38Å; H237-I252 VanDerWaalsContact NE2-CG2 3.34Å; H237-I252 WeakPolarHBondContact NE2-CG2 3.29Å; H237-I252 PolarHBondContact O-N 3.36Å; I239-I252 HydrophobicContact CD1-CD1 4.15Å; T250-I252 HydrophobicContact CG2-CD1 4.41Å; T250-I252 HydrophobicContact CG2-CG1 3.93Å
253	C	91.5	Very high	85	Confident	15 Å²	15	37.3 Å²	37.3	10%	0.101	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	131.3	176.5	-66.4	0	0	0	0	111.9	M191 V193 C236	M191-C253 PolarHBondContact O-N 3.25Å; V193-C253 PolarHBondContact N-O 3.18Å; C236-C253 HydrophobicContact CB-CB 4.07Å; C236-C253 WeakPolarHBondContact CB-SG 3.28Å; C236-C253 WeakPolarHBondContact SG-CB 3.41Å; C236-C253 CovalentContact SG-SG 2.04Å; C236-C253 PolarHBondContact SG-SG 2.62Å
254	D	86.4	Confident	85	Confident	40 Å²	40	39.2 Å²	39.2	21%	0.214	18%	0.176	C	C	.	.			trans	-62.9	151.8	167.1	-78.4	-35	0	0	0	110.9	K235	K235-D254 PolarHBondContact O-N 2.96Å
255	R	74.4	Confident	85.3	Confident	177 Å²	177	41.4 Å²	41.4	67%	0.668	19%	0.185	S	C	*	.			trans	-109	111.8	177.6	-172.7	178.1	-170.5	-175	4.1	109.1	V192 V193	V192-R255 HydrophobicContact CG1-CB 4.18Å; V192-R255 HydrophobicContact CG1-CG 4.48Å; V193-R255 VanDerWaalsContact O-CB 3.26Å; V193-R255 WeakPolarHBondContact O-CB 3.07Å; V193-R255 WeakPolarHBondContact O-CD 3.21Å
256	F	58.4	Low	85.7	Confident	189 Å²	189	42.5 Å²	42.5	83%	0.829	19%	0.185	S	C	*	.			trans	-62.9	0	164.9	-56	-56.9	0	0	0	110.4	K234	K234-F256 HydrophobicContact CB-CE2 4.33Å; K234-F256 HydrophobicContact CG-CD2 4.27Å; K234-F256 HydrophobicContact CG-CE2 3.94Å

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