A0A077Z0I4_TRITR Loading...

Epididymal secretory protein E1

AlphaFold DB , UniProt , Accession A0A077Z0I4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 419 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.5	Very low	51	Low	239 Å²	239	138.6 Å²	138.6	100%	1.177	75%	0.749	S	S	*	*				0	85.8	0	-79.6	171	163	0	0	108.8
2	T	45.3	Very low	51.1	Low	146 Å²	146	137.9 Å²	137.9	90%	0.896	74%	0.743	S	S	*	*			trans	-169.3	67.7	176.6	18.2	0	0	0	0	109
3	R	48.3	Very low	51	Low	248 Å²	248	137.2 Å²	137.2	94%	0.936	74%	0.737	S	S	*	*			trans	-142	6	171.6	-102.7	-170	179.2	-169.2	-0.7	115.5
4	A	53.1	Low	51	Low	81 Å²	81	137.2 Å²	137.2	67%	0.669	74%	0.736	S	S	*	*	S	Bend	trans	-97.7	-11	-175.4	0	0	0	0	0	115.5
5	N	50.7	Low	50.9	Low	145 Å²	145	137.8 Å²	137.8	78%	0.775	74%	0.738	S	S	*	*	S	Bend	trans	-93.7	-9.2	-169.2	-68.6	-2.4	0	0	0	115.4
6	F	51.9	Low	50.8	Low	177 Å²	177	138.4 Å²	138.4	78%	0.776	74%	0.74	S	S	*	*	H	α-helix	trans	-85.3	-26.6	-176.3	-131	-95.6	0	0	0	113.6
7	V	55	Low	50.5	Low	107 Å²	107	136.4 Å²	136.4	65%	0.648	74%	0.738	S	S	*	*	H	α-helix	trans	-76.2	-29.1	-176.1	-174	0	0	0	0	111.9	L11	V7-L11 PolarHBondContact O-N 3.33Å
8	S	56	Low	50.2	Low	87 Å²	87	133.4 Å²	133.4	61%	0.608	74%	0.736	S	S	*	*	H	α-helix	trans	-72.6	-34.2	-179.1	-174.4	0	0	0	0	113.1	L12	S8-L12 PolarHBondContact O-N 3.48Å
9	S	55	Low	49.8	Very low	75 Å²	75	132.4 Å²	132.4	52%	0.524	73%	0.733	S	S	.	*	H	α-helix	trans	-70.8	-33.1	177.7	-99.1	0	0	0	0	113.5	L12 L13	S9-L12 PolarHBondContact O-N 3.32Å; S9-L13 WeakPolarHBondContact O-CD1 3.35Å; S9-L13 PolarHBondContact O-N 3.13Å
10	V	54.4	Low	49.5	Very low	87 Å²	87	131.2 Å²	131.2	53%	0.527	73%	0.73	S	S	.	*	H	α-helix	trans	-72.6	-34	179.7	-179.1	0	0	0	0	111.2	L12	V10-L12 VanDerWaalsContact C-N 3.35Å
11	L	52.9	Low	49.6	Very low	133 Å²	133	132.7 Å²	132.7	70%	0.696	74%	0.735	S	S	*	*	H	α-helix	trans	-71	-30.3	175.5	-127.4	82.7	0	0	0	112.7	V7	V7-L11 PolarHBondContact O-N 3.33Å
12	L	52	Low	50.3	Low	130 Å²	130	126.8 Å²	126.8	68%	0.681	71%	0.707	S	S	*	*	H	α-helix	trans	-77.8	-26.3	-178.6	-148	77	0	0	0	113	S8 S9 V10	S8-L12 PolarHBondContact O-N 3.48Å; S9-L12 PolarHBondContact O-N 3.32Å; V10-L12 VanDerWaalsContact C-N 3.35Å
13	L	50.4	Low	51	Low	128 Å²	128	122.5 Å²	122.5	67%	0.67	68%	0.682	S	S	*	*	H	α-helix	trans	-80.5	-15.2	177.5	-97.7	101	0	0	0	114.6	S9 L15 L16	S9-L13 WeakPolarHBondContact O-CD1 3.35Å; S9-L13 PolarHBondContact O-N 3.13Å; L13-L15 VanDerWaalsContact C-N 3.26Å; L13-L15 PolarHBondContact O-N 3.49Å; L13-L16 WeakPolarHBondContact O-CG 3.24Å
14	L	50.7	Low	52	Low	138 Å²	138	117 Å²	117	72%	0.723	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.4	-1.8	177.4	-83.7	158.5	0	0	0	113.9	L16	L14-L16 PolarHBondContact O-N 3.22Å; L14-L16 VanDerWaalsContact O-N 3.15Å
15	L	50	Low	53.5	Low	146 Å²	146	115 Å²	115	76%	0.764	65%	0.647	S	S	*	*			trans	-79	30	163.6	-86.4	151	0	0	0	112.3	L13 C17	L13-L15 VanDerWaalsContact C-N 3.26Å; L13-L15 PolarHBondContact O-N 3.49Å; L15-C17 PolarHBondContact O-N 3.37Å
16	L	49.2	Very low	55.1	Low	147 Å²	147	108.7 Å²	108.7	77%	0.77	61%	0.613	S	S	*	*			trans	-58.9	91.8	161.5	-83.2	157.3	0	0	0	107.2	L13 L14 A18	L13-L16 WeakPolarHBondContact O-CG 3.24Å; L14-L16 PolarHBondContact O-N 3.22Å; L14-L16 VanDerWaalsContact O-N 3.15Å; L16-A18 VanDerWaalsContact C-N 3.32Å; L16-A18 PolarHBondContact O-N 3.19Å
17	C	45.6	Very low	56.8	Low	104 Å²	104	106.4 Å²	106.4	70%	0.703	60%	0.604	S	S	*	*			trans	-42.5	98.8	171.4	-167.8	0	0	0	0	107.4	L15 T19	L15-C17 PolarHBondContact O-N 3.37Å; C17-T19 HydrophobicContact CB-CG2 4.49Å; C17-T19 PolarHBondContact O-N 3.37Å
18	A	45	Very low	58.6	Low	84 Å²	84	104.6 Å²	104.6	69%	0.694	59%	0.586	S	S	*	*			trans	-62.7	91.6	161.3	0	0	0	0	0	103.8	L16 T20	L16-A18 VanDerWaalsContact C-N 3.32Å; L16-A18 PolarHBondContact O-N 3.19Å; A18-T20 PolarHBondContact O-N 3.43Å
19	T	42.2	Very low	60.4	Low	113 Å²	113	105.1 Å²	105.1	69%	0.693	58%	0.582	S	S	*	*			trans	-66.7	79.5	170.2	52.4	0	0	0	0	105.5	C17 I21	C17-T19 HydrophobicContact CB-CG2 4.49Å; C17-T19 PolarHBondContact O-N 3.37Å; T19-I21 VanDerWaalsContact C-N 3.33Å; T19-I21 PolarHBondContact O-N 3.44Å
20	T	44	Very low	62.2	Low	109 Å²	109	104.8 Å²	104.8	67%	0.669	58%	0.575	S	S	*	*			trans	-57.3	110	157.5	52.6	0	0	0	0	103.7	A18 L22	A18-T20 PolarHBondContact O-N 3.43Å; T20-L22 VanDerWaalsContact C-N 3.29Å; T20-L22 PolarHBondContact O-N 3.15Å
21	I	51.1	Low	64	Low	162 Å²	162	102.1 Å²	102.1	83%	0.831	56%	0.56	S	S	*	*			trans	-54.3	103.8	172.3	-60.8	167.6	0	0	0	104.6	T19	T19-I21 VanDerWaalsContact C-N 3.33Å; T19-I21 PolarHBondContact O-N 3.44Å
22	L	53.5	Low	65.8	Low	115 Å²	115	104.9 Å²	104.9	60%	0.602	57%	0.566	S	S	*	*	P	Polyproline II helix	trans	-60.3	125.5	173.9	-126.7	78.3	0	0	0	105	T20 K24	T20-L22 VanDerWaalsContact C-N 3.29Å; T20-L22 PolarHBondContact O-N 3.15Å; L22-K24 PolarHBondContact O-N 2.86Å; L22-K24 VanDerWaalsContact O-N 3.15Å
23	P	59.2	Low	67.9	Low	56 Å²	56	99.6 Å²	99.6	36%	0.364	54%	0.54	S	S	.	.	P	Polyproline II helix	trans	-59.1	124.7	177	26.7	-33.5	0	0	0	107.3	S25 E39 A41	P23-S25 PolarHBondContact O-N 3.07Å; P23-E39 VanDerWaalsContact O-OE1 3.09Å; P23-A41 HydrophobicContact CB-CB 3.76Å; P23-A41 HydrophobicContact CG-CB 4.05Å
24	K	70.4	Confident	70	Confident	133 Å²	133	96.1 Å²	96.1	58%	0.578	52%	0.521	S	S	*	.	P	Polyproline II helix	trans	-66.2	134.6	-175.8	-73.8	179.7	178.2	175.6	0	109.8	L22 I26	L22-K24 PolarHBondContact O-N 2.86Å; L22-K24 VanDerWaalsContact O-N 3.15Å; K24-I26 PolarHBondContact O-N 3.41Å
25	S	83.5	Confident	72.1	Confident	40 Å²	40	89.7 Å²	89.7	28%	0.28	49%	0.487	S	S	.	.	P	Polyproline II helix	trans	-53.3	128.7	171.2	-164.5	0	0	0	0	111.5	P23 E39 V40	P23-S25 PolarHBondContact O-N 3.07Å; S25-E39 WeakPolarHBondContact CA-OE1 3.28Å; S25-E39 WeakPolarHBondContact CB-OE1 3.4Å; S25-E39 PolarHBondContact N-OE1 3.31Å; S25-V40 CarbonylContact C-O 3.51Å; S25-V40 VanDerWaalsContact CA-O 3.26Å; S25-V40 WeakPolarHBondContact CA-O 3.35Å; S25-V40 PolarHBondContact OG-N 2.56Å; S25-V40 PolarHBondContact OG-O 3.46Å
26	I	85.9	Confident	74.3	Confident	12 Å²	12	87.8 Å²	87.8	6%	0.062	48%	0.475	C	S	.	.	P	Polyproline II helix	trans	-87	170.9	169.5	62.7	160.5	0	0	0	110.4	K24 Y28 V40 V42 C45 V158	K24-I26 PolarHBondContact O-N 3.41Å; I26-Y28 WeakPolarHBondContact O-CD1 3.17Å; I26-V40 HydrophobicContact CD1-CG1 4.49Å; I26-V40 HydrophobicContact CG1-CG1 4.28Å; I26-V40 VanDerWaalsContact CG1-O 3.28Å; I26-V40 WeakPolarHBondContact CG1-O 2.93Å; I26-V40 PolarHBondContact N-O 3.05Å; I26-V42 HydrophobicContact CD1-CB 4.15Å; I26-V42 HydrophobicContact CD1-CG2 3.58Å; I26-C45 HydrophobicContact CG2-CB 4.22Å; I26-V158 HydrophobicContact CD1-CB 4.4Å; I26-V158 HydrophobicContact CD1-CG1 3.53Å; I26-V158 HydrophobicContact CD1-CG2 3.93Å
27	E	87.9	Confident	76.6	Confident	129 Å²	129	81.8 Å²	81.8	60%	0.603	44%	0.443	S	S	*	.	P	Polyproline II helix	trans	-75.5	134.9	170.1	-171.9	-178.2	171.5	0	0	110.7	G49	E27-G49 VanDerWaalsContact OE2-CA 3.28Å; E27-G49 WeakPolarHBondContact OE2-CA 3.32Å
28	Y	92.1	Very high	79	Confident	68 Å²	68	82.1 Å²	82.1	27%	0.267	43%	0.433	S	S	.	.			trans	-148.7	157.9	179.3	65.6	-84.2	0	0	0	111	I26 N30 I37 V40 V156 I157	I26-Y28 WeakPolarHBondContact O-CD1 3.17Å; Y28-N30 HydrophobicContact CE2-CB 4.29Å; Y28-I37 HydrophobicContact CE2-CB 4.44Å; Y28-I37 HydrophobicContact CE2-CD1 4.43Å; Y28-I37 HydrophobicContact CE2-CG2 3.9Å; Y28-I37 WeakPolarHBondContact OH-CG2 3.37Å; Y28-V40 HydrophobicContact CD1-CB 3.57Å; Y28-V40 HydrophobicContact CD1-CG2 3.55Å; Y28-V40 HydrophobicContact CD2-CG2 3.75Å; Y28-V40 HydrophobicContact CE1-CB 3.93Å; Y28-V40 HydrophobicContact CE1-CG2 3.66Å; Y28-V40 HydrophobicContact CE2-CG2 3.86Å; Y28-V40 HydrophobicContact CG-CB 3.93Å; Y28-V40 HydrophobicContact CG-CG2 3.6Å; Y28-V156 HydrophobicContact CD2-CB 4.34Å; Y28-V156 HydrophobicContact CD2-CG1 3.95Å; Y28-V156 HydrophobicContact CE2-CG1 4.31Å; Y28-I157 WeakPolarHBondContact CA-O 3.27Å
29	N	93.1	Very high	81.3	Confident	98 Å²	98	80 Å²	80	52%	0.524	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	122.9	169.7	178.4	-9.8	0	0	0	109.8	C31 V156 I157	N29-C31 PolarHBondContact O-N 3.33Å; N29-V156 CarbonylContact O-C 3.51Å; N29-V156 WeakPolarHBondContact O-CA 3.47Å; N29-I157 HydrophobicContact CB-CB 4.23Å; N29-I157 PolarHBondContact N-O 3.32Å; N29-I157 PolarHBondContact O-N 2.94Å
30	N	93.9	Very high	83.7	Confident	69 Å²	69	74.7 Å²	74.7	37%	0.369	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	105.7	171.8	-178.1	-7.1	0	0	0	110.1	Y28 K32 S33 C155	Y28-N30 HydrophobicContact CE2-CB 4.29Å; N30-K32 VanDerWaalsContact C-N 3.26Å; N30-K32 PolarHBondContact O-N 2.83Å; N30-K32 PolarHBondContact OD1-N 3.2Å; N30-S33 WeakPolarHBondContact OD1-CB 3.34Å; N30-S33 PolarHBondContact OD1-N 2Å; N30-S33 PolarHBondContact OD1-OG 3.33Å; N30-C155 PolarHBondContact OD1-O 2.83Å
31	C	92.5	Very high	86	Confident	31 Å²	31	69.6 Å²	69.6	21%	0.209	35%	0.345	C	S	.	.			trans	-86.6	54	-176	45.1	0	0	0	0	113.7	N29 C155 I157	N29-C31 PolarHBondContact O-N 3.33Å; C31-C155 HydrophobicContact CB-CB 4.09Å; C31-C155 WeakPolarHBondContact CB-SG 3.33Å; C31-C155 PolarHBondContact N-O 2.83Å; C31-C155 PolarHBondContact O-SG 2.84Å; C31-C155 VanDerWaalsContact SG-CA 3.59Å; C31-C155 WeakPolarHBondContact SG-CB 3.11Å; C31-C155 PolarHBondContact SG-O 3.41Å; C31-C155 CovalentContact SG-SG 2.03Å; C31-C155 PolarHBondContact SG-SG 2.79Å; C31-I157 HydrophobicContact CB-CD1 3.96Å; C31-I157 HydrophobicContact CB-CG1 4.27Å
32	K	90.4	Very high	87.9	Confident	190 Å²	190	62.4 Å²	62.4	83%	0.826	31%	0.309	S	S	*	.	S	Bend	trans	71.3	45.1	179.3	-50.4	178.5	178.6	-177.6	0	114.9	N30 I34	N30-K32 VanDerWaalsContact C-N 3.26Å; N30-K32 PolarHBondContact O-N 2.83Å; N30-K32 PolarHBondContact OD1-N 3.2Å; K32-I34 PolarHBondContact O-N 3.16Å
33	S	94.6	Very high	89.3	Confident	20 Å²	20	59.8 Å²	59.8	14%	0.14	30%	0.295	C	S	.	.			trans	-61.3	135.2	172.4	-54.2	0	0	0	0	111.9	N30 F35 I37 C155	N30-S33 WeakPolarHBondContact OD1-CB 3.34Å; N30-S33 PolarHBondContact OD1-N 2Å; N30-S33 PolarHBondContact OD1-OG 3.33Å; S33-F35 VanDerWaalsContact C-N 3.33Å; S33-F35 WeakPolarHBondContact CB-O 3.4Å; S33-I37 VanDerWaalsContact OG-CD1 3.28Å; S33-I37 WeakPolarHBondContact OG-CD1 3.48Å; S33-C155 PolarHBondContact OG-N 2.92Å; S33-C155 PolarHBondContact OG-O 3.27Å; S33-C155 VanDerWaalsContact OG-O 3.08Å
34	I	94.4	Very high	89.9	Confident	54 Å²	54	57.9 Å²	57.9	28%	0.277	28%	0.283	S	S	.	.	S	Bend	trans	-68.1	-37.8	169.6	-51.3	177.6	0	0	0	110.6	K32 T69 D151 S152 P153	K32-I34 PolarHBondContact O-N 3.16Å; I34-T69 WeakPolarHBondContact CG2-OG1 3.19Å; I34-T69 WeakPolarHBondContact O-CG2 3.26Å; I34-T69 PolarHBondContact O-OG1 3.31Å; I34-D151 HydrophobicContact CD1-CB 3.46Å; I34-D151 VanDerWaalsContact CD1-CB 3.46Å; I34-D151 WeakPolarHBondContact CD1-O 3.5Å; I34-D151 HydrophobicContact CG1-CB 3.73Å; I34-S152 PolarHBondContact N-O 3.11Å; I34-P153 PolarHBondContact N-O 2.81Å
35	F	96	Very high	90.4	Very high	3 Å²	3	52 Å²	52	1%	0.013	26%	0.258	C	S	.	.	S	Bend	trans	-84.1	152.4	-178	-63.3	-8.9	0	0	0	111	S33 I37 F66 P68 K70 V72 P153 V154	S33-F35 VanDerWaalsContact C-N 3.33Å; S33-F35 WeakPolarHBondContact CB-O 3.4Å; F35-I37 PolarHBondContact O-N 3.13Å; F35-F66 HydrophobicContact CB-CD2 4.19Å; F35-F66 AromaticContact CD2-CD2 3.63Å; F35-F66 HydrophobicContact CD2-CD2 3.63Å; F35-F66 AromaticContact CD2-CE2 3.67Å; F35-F66 HydrophobicContact CD2-CE2 3.67Å; F35-F66 HydrophobicContact CE2-CD2 4.47Å; F35-F66 HydrophobicContact CE2-CE2 4.1Å; F35-F66 HydrophobicContact CG-CD2 4.37Å; F35-P68 HydrophobicContact CD1-CB 4.33Å; F35-P68 HydrophobicContact CD2-CB 4.07Å; F35-P68 HydrophobicContact CD2-CG 4.21Å; F35-P68 HydrophobicContact CE1-CB 4.06Å; F35-P68 HydrophobicContact CE2-CB 3.75Å; F35-P68 HydrophobicContact CE2-CG 4.02Å; F35-P68 HydrophobicContact CG-CB 4.33Å; F35-P68 HydrophobicContact CZ-CB 3.75Å; F35-P68 HydrophobicContact CZ-CG 4.48Å; F35-K70 HydrophobicContact CE1-CG 3.89Å; F35-K70 HydrophobicContact CZ-CG 4.47Å; F35-V72 HydrophobicContact CZ-CB 4.3Å; F35-V72 HydrophobicContact CZ-CG2 3.83Å; F35-P153 WeakPolarHBondContact CB-O 3.35Å; F35-P153 HydrophobicContact CD1-CB 4.46Å; F35-P153 HydrophobicContact CD2-CB 3.81Å; F35-P153 HydrophobicContact CE1-CB 4.31Å; F35-P153 HydrophobicContact CE2-CB 3.66Å; F35-P153 HydrophobicContact CG-CB 4.24Å; F35-P153 WeakPolarHBondContact CG-O 3.5Å; F35-P153 HydrophobicContact CZ-CB 3.93Å; F35-P153 PolarHBondContact N-O 2.03Å; F35-V154 HydrophobicContact CB-CG2 4.35Å; F35-V154 HydrophobicContact CD2-CG2 4.21Å
36	Q	96.4	Very high	89.7	Confident	107 Å²	107	52.7 Å²	52.7	50%	0.5	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	109.9	177.5	-63.9	-177.1	8.6	0	0	109.5	F66 V67 T69	Q36-F66 CarbonylContact O-C 3.5Å; Q36-F66 WeakPolarHBondContact O-CA 3.45Å; Q36-F66 WeakPolarHBondContact O-CB 3.15Å; Q36-V67 HydrophobicContact CB-CB 4.36Å; Q36-V67 PolarHBondContact N-O 2.92Å; Q36-V67 PolarHBondContact O-N 3.37Å; Q36-T69 HydrophobicContact CG-CG2 4.32Å
37	I	97	Very high	88.6	Confident	21 Å²	21	54.9 Å²	54.9	11%	0.108	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	128.3	172.7	-54.6	-175.7	0	0	0	108.8	Y28 S33 F35 V40 I64 V154 V156	Y28-I37 HydrophobicContact CE2-CB 4.44Å; Y28-I37 HydrophobicContact CE2-CD1 4.43Å; Y28-I37 HydrophobicContact CE2-CG2 3.9Å; Y28-I37 WeakPolarHBondContact OH-CG2 3.37Å; S33-I37 VanDerWaalsContact OG-CD1 3.28Å; S33-I37 WeakPolarHBondContact OG-CD1 3.48Å; F35-I37 PolarHBondContact O-N 3.13Å; I37-V40 HydrophobicContact CG2-CG2 3.93Å; I37-I64 HydrophobicContact CG2-CG2 4.21Å; I37-V154 HydrophobicContact CD1-CG1 4.06Å; I37-V156 HydrophobicContact CD1-CG1 3.24Å
38	K	95.5	Very high	86.9	Confident	110 Å²	110	52.7 Å²	52.7	48%	0.478	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	-39.2	176.4	-61.4	-59.6	-178.4	-172.2	0	112.1	T65 V67	K38-T65 HydrophobicContact CB-CG2 4.02Å; K38-T65 PolarHBondContact N-O 2.91Å; K38-V67 HydrophobicContact CG-CG2 4.17Å
39	E	93.8	Very high	85.1	Confident	41 Å²	41	51.9 Å²	51.9	19%	0.192	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	147.2	-174.7	166.4	163.9	-127.7	0	0	110.5	P23 S25 T65	P23-E39 VanDerWaalsContact O-OE1 3.09Å; S25-E39 WeakPolarHBondContact CA-OE1 3.28Å; S25-E39 WeakPolarHBondContact CB-OE1 3.4Å; S25-E39 PolarHBondContact N-OE1 3.31Å; E39-T65 PolarHBondContact N-O 2.78Å; E39-T65 PolarHBondContact O-N 2.84Å
40	V	93.6	Very high	83.8	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	124.6	168.3	179.9	0	0	0	0	107.3	S25 I26 Y28 I37 I62 S63 I64 V156 V158	S25-V40 CarbonylContact C-O 3.51Å; S25-V40 VanDerWaalsContact CA-O 3.26Å; S25-V40 WeakPolarHBondContact CA-O 3.35Å; S25-V40 PolarHBondContact OG-N 2.56Å; S25-V40 PolarHBondContact OG-O 3.46Å; I26-V40 HydrophobicContact CD1-CG1 4.49Å; I26-V40 HydrophobicContact CG1-CG1 4.28Å; I26-V40 VanDerWaalsContact CG1-O 3.28Å; I26-V40 WeakPolarHBondContact CG1-O 2.93Å; I26-V40 PolarHBondContact N-O 3.05Å; Y28-V40 HydrophobicContact CD1-CB 3.57Å; Y28-V40 HydrophobicContact CD1-CG2 3.55Å; Y28-V40 HydrophobicContact CD2-CG2 3.75Å; Y28-V40 HydrophobicContact CE1-CB 3.93Å; Y28-V40 HydrophobicContact CE1-CG2 3.66Å; Y28-V40 HydrophobicContact CE2-CG2 3.86Å; Y28-V40 HydrophobicContact CG-CB 3.93Å; Y28-V40 HydrophobicContact CG-CG2 3.6Å; I37-V40 HydrophobicContact CG2-CG2 3.93Å; V40-I62 HydrophobicContact CG1-CD1 4.37Å; V40-I62 HydrophobicContact CG1-CG1 4.49Å; V40-S63 WeakPolarHBondContact CA-O 3.31Å; V40-I64 HydrophobicContact CG1-CG1 4.49Å; V40-I64 HydrophobicContact CG2-CG2 4.28Å; V40-V156 HydrophobicContact CG2-CB 4.41Å; V40-V156 HydrophobicContact CG2-CG1 3.82Å; V40-V158 HydrophobicContact CG1-CG2 4.19Å
41	A	91.6	Very high	83.1	Confident	2 Å²	2	51.2 Å²	51.2	2%	0.017	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	149.6	174.3	0	0	0	0	0	110.2	P23 I62 S63	P23-A41 HydrophobicContact CB-CB 3.76Å; P23-A41 HydrophobicContact CG-CB 4.05Å; A41-I62 CarbonylContact O-C 3.39Å; A41-I62 WeakPolarHBondContact O-CA 3.46Å; A41-S63 PolarHBondContact N-O 2.98Å; A41-S63 PolarHBondContact O-N 3.41Å
42	V	90	Very high	82.8	Confident	12 Å²	12	50 Å²	50	7%	0.073	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	110.1	176.2	178.5	0	0	0	0	107.2	I26 P44 C45 L54 T61 I62	I26-V42 HydrophobicContact CD1-CB 4.15Å; I26-V42 HydrophobicContact CD1-CG2 3.58Å; V42-P44 CarbonylContact O-C 3.49Å; V42-C45 HydrophobicContact CB-CB 4.28Å; V42-C45 CarbonylContact O-C 3.34Å; V42-C45 WeakPolarHBondContact O-CA 2.94Å; V42-C45 WeakPolarHBondContact O-CB 3.21Å; V42-C45 PolarHBondContact O-N 3.06Å; V42-L54 HydrophobicContact CG1-CD2 4.46Å; V42-T61 CarbonylContact C-O 3.48Å; V42-T61 WeakPolarHBondContact CA-O 3.3Å; V42-I62 HydrophobicContact CG2-CB 4.28Å; V42-I62 HydrophobicContact CG2-CD1 4.3Å; V42-I62 HydrophobicContact CG2-CG1 3.99Å
43	D	84.2	Confident	82.4	Confident	60 Å²	60	41.9 Å²	41.9	32%	0.321	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	127.9	171	-175.2	41.2	0	0	0	108.4	A60 T61 K246	D43-A60 CarbonylContact O-C 3.44Å; D43-A60 VanDerWaalsContact O-CA 3.29Å; D43-A60 WeakPolarHBondContact O-CA 3.38Å; D43-T61 PolarHBondContact N-O 2.98Å; D43-T61 PolarHBondContact O-N 3.09Å; D43-K246 IonicContact OD1-NZ 3.49Å
44	P	70.9	Confident	82	Confident	15 Å²	15	41.3 Å²	41.3	10%	0.097	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	cis	-97.5	10.7	13	14	4.4	0	0	0	117.5	V42 N46 I248	V42-P44 CarbonylContact O-C 3.49Å; P44-N46 PolarHBondContact O-N 3.13Å; P44-N46 PolarHBondContact O-ND2 2.78Å; P44-I248 HydrophobicContact CB-CD1 3.38Å; P44-I248 HydrophobicContact CB-CG1 4.09Å; P44-I248 HydrophobicContact CG-CD1 3.47Å; P44-I248 VanDerWaalsContact CG-CD1 3.47Å; P44-I248 HydrophobicContact CG-CG1 3.95Å; P44-I248 WeakPolarHBondContact O-CD1 3.47Å
45	C	80.6	Confident	81.3	Confident	9 Å²	9	39 Å²	39	6%	0.061	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-69.2	116.9	178	-55.9	0	0	0	0	112.8	I26 V42 C52	I26-C45 HydrophobicContact CG2-CB 4.22Å; V42-C45 HydrophobicContact CB-CB 4.28Å; V42-C45 CarbonylContact O-C 3.34Å; V42-C45 WeakPolarHBondContact O-CA 2.94Å; V42-C45 WeakPolarHBondContact O-CB 3.21Å; V42-C45 PolarHBondContact O-N 3.06Å; C45-C52 HydrophobicContact CB-CB 3.94Å; C45-C52 WeakPolarHBondContact CB-SG 3.4Å; C45-C52 WeakPolarHBondContact SG-CA 3.05Å; C45-C52 WeakPolarHBondContact SG-CB 3.44Å; C45-C52 CovalentContact SG-SG 2.03Å; C45-C52 PolarHBondContact SG-SG 2.84Å
46	N	68.7	Low	80.7	Confident	55 Å²	55	41.6 Å²	41.6	29%	0.294	23%	0.225	S	C	.	.			trans	-117.5	-3.3	-173.3	-62	-52	0	0	0	115.1	P44	P44-N46 PolarHBondContact O-N 3.13Å; P44-N46 PolarHBondContact O-ND2 2.78Å
47	D	63.4	Low	80	Confident	59 Å²	59	38.6 Å²	38.6	32%	0.316	22%	0.222	S	C	.	.			trans	-117.7	127.6	-170.3	-63	-43.3	0	0	0	112.8	F50 V250	D47-F50 HydrophobicContact CB-CD2 3.59Å; D47-F50 HydrophobicContact CB-CE2 3.98Å; D47-V250 WeakPolarHBondContact OD2-CG1 3.29Å
48	P	53.3	Low	79.2	Confident	82 Å²	82	40.5 Å²	40.5	53%	0.532	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	144	171.1	27	-30.5	0	0	0	111.2	F50	P48-F50 WeakPolarHBondContact O-CD2 3.07Å
49	G	54.1	Low	78.9	Confident	52 Å²	52	40.2 Å²	40.2	54%	0.536	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	96.1	-2.1	-179	0	0	0	0	0	115.8	E27	E27-G49 VanDerWaalsContact OE2-CA 3.28Å; E27-G49 WeakPolarHBondContact OE2-CA 3.32Å
50	F	64.5	Low	78.6	Confident	114 Å²	114	38.6 Å²	38.6	50%	0.5	23%	0.228	S	C	.	.	S	Bend	trans	-114.1	152.9	-171.7	-69.1	-85.9	0	0	0	114	D47 P48 C52 P251	D47-F50 HydrophobicContact CB-CD2 3.59Å; D47-F50 HydrophobicContact CB-CE2 3.98Å; P48-F50 WeakPolarHBondContact O-CD2 3.07Å; F50-C52 PolarHBondContact O-N 3.05Å; F50-P251 HydrophobicContact CE1-CG 4.18Å
51	T	80	Confident	78.5	Confident	38 Å²	38	39.1 Å²	39.1	23%	0.233	23%	0.231	C	C	.	.			trans	-74.6	116	165.3	-60.9	0	0	0	0	108.5	P53 V132 R159 K161	T51-P53 WeakPolarHBondContact O-CD 3.4Å; T51-P53 VanDerWaalsContact O-N 3.17Å; T51-V132 HydrophobicContact CG2-CG1 4.48Å; T51-R159 HydrophobicContact CG2-CG 4.07Å; T51-R159 PolarHBondContact OG1-NH1 2.87Å; T51-K161 HydrophobicContact CG2-CB 3.64Å
52	C	86.2	Confident	78.6	Confident	6 Å²	6	39.6 Å²	39.6	4%	0.041	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	113.2	-176.2	177.7	0	0	0	0	110.5	C45 F50 L54 V158 R159 A160 K161	C45-C52 HydrophobicContact CB-CB 3.94Å; C45-C52 WeakPolarHBondContact CB-SG 3.4Å; C45-C52 WeakPolarHBondContact SG-CA 3.05Å; C45-C52 WeakPolarHBondContact SG-CB 3.44Å; C45-C52 CovalentContact SG-SG 2.03Å; C45-C52 PolarHBondContact SG-SG 2.84Å; F50-C52 PolarHBondContact O-N 3.05Å; C52-L54 PolarHBondContact O-N 2.92Å; C52-V158 HydrophobicContact CB-CG1 4.36Å; C52-R159 PolarHBondContact N-O 3.25Å; C52-A160 HydrophobicContact CB-CB 4.38Å; C52-A160 CarbonylContact O-C 3.55Å; C52-A160 WeakPolarHBondContact O-CA 3.32Å; C52-A160 WeakPolarHBondContact O-CB 3.33Å; C52-K161 PolarHBondContact O-N 2.96Å
53	P	81.6	Confident	78.8	Confident	20 Å²	20	39.8 Å²	39.8	13%	0.13	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	119.4	177.5	28.6	-29.2	0	0	0	109.3	T51 K161 I163 I248	T51-P53 WeakPolarHBondContact O-CD 3.4Å; T51-P53 VanDerWaalsContact O-N 3.17Å; P53-K161 CarbonylContact C-O 3.53Å; P53-K161 WeakPolarHBondContact CA-O 3.29Å; P53-I163 HydrophobicContact CB-CD1 3.72Å; P53-I163 HydrophobicContact CB-CG1 4.25Å; P53-I248 HydrophobicContact CG-CB 4.27Å; P53-I248 HydrophobicContact CG-CD1 4.09Å; P53-I248 HydrophobicContact CG-CG1 4.14Å; P53-I248 HydrophobicContact CG-CG2 3.35Å
54	L	86.9	Confident	79.4	Confident	8 Å²	8	37 Å²	37	4%	0.042	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	114.8	176.5	-62.3	-177.5	0	0	0	108.4	V42 C52 A60 I124 I135 A160 K161 I162 I163	V42-L54 HydrophobicContact CG1-CD2 4.46Å; C52-L54 PolarHBondContact O-N 2.92Å; L54-A60 HydrophobicContact CD2-CB 3.62Å; L54-I124 HydrophobicContact CB-CD1 4.18Å; L54-I124 HydrophobicContact CB-CG1 4.14Å; L54-I124 HydrophobicContact CB-CG2 4.3Å; L54-I124 HydrophobicContact CD1-CD1 4.02Å; L54-I124 HydrophobicContact CG-CD1 4.5Å; L54-I135 HydrophobicContact CD1-CD1 3.49Å; L54-I135 VanDerWaalsContact CD1-CD1 3.49Å; L54-A160 HydrophobicContact CD1-CB 3.77Å; L54-A160 HydrophobicContact CG-CB 4.06Å; L54-K161 PolarHBondContact N-O 3.03Å; L54-I162 HydrophobicContact CB-CG1 4.38Å; L54-I162 WeakPolarHBondContact O-CA 3.47Å; L54-I163 PolarHBondContact O-N 2.91Å
55	V	78.8	Confident	80.6	Confident	5 Å²	5	36.8 Å²	36.8	3%	0.03	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	124.1	-173.2	-177.2	0	0	0	0	110.5	E58 I124 I163 P165	V55-E58 HydrophobicContact CB-CB 4.07Å; V55-E58 HydrophobicContact CB-CG 3.92Å; V55-E58 HydrophobicContact CG1-CB 4.4Å; V55-E58 HydrophobicContact CG1-CG 3.78Å; V55-E58 WeakPolarHBondContact CG1-OE1 3.45Å; V55-E58 PolarHBondContact O-N 3.11Å; V55-E58 VanDerWaalsContact O-N 3.16Å; V55-I124 VanDerWaalsContact O-CB 3.29Å; V55-I124 WeakPolarHBondContact O-CB 3.4Å; V55-I124 WeakPolarHBondContact O-CG2 3.41Å; V55-I163 HydrophobicContact CG2-CD1 4.16Å; V55-I163 HydrophobicContact CG2-CG1 4.17Å; V55-P165 HydrophobicContact CG1-CB 3.52Å; V55-P165 HydrophobicContact CG1-CG 4.28Å
56	R	82.8	Confident	81.4	Confident	58 Å²	58	36.4 Å²	36.4	22%	0.219	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	136.6	173.7	-75.8	168.2	75.2	180	15.3	110.8	E58 I124 P126 Y128 I162 I163 D164 P165	R56-E58 VanDerWaalsContact C-N 3.25Å; R56-E58 PolarHBondContact O-N 3.07Å; R56-I124 CarbonylContact C-O 3.55Å; R56-I124 HydrophobicContact CG-CG2 4.49Å; R56-P126 PolarHBondContact NE-O 3.21Å; R56-P126 PolarHBondContact NH2-O 3.01Å; R56-Y128 WeakPolarHBondContact CD-O 3.11Å; R56-Y128 PolarHBondContact NE-O 2.8Å; R56-I162 HydrophobicContact CG-CG2 3.59Å; R56-I163 WeakPolarHBondContact CG-O 3.46Å; R56-I163 PolarHBondContact N-O 3.26Å; R56-D164 VanDerWaalsContact CD-OD1 3.3Å; R56-D164 WeakPolarHBondContact CD-OD1 3.44Å; R56-D164 IonicContact CZ-OD1 3.55Å; R56-D164 IonicContact NE-OD1 2.73Å; R56-D164 IonicContact NH1-OD1 3.06Å; R56-D164 PolarHBondContact NH1-OD1 2.87Å; R56-P165 WeakPolarHBondContact O-CD 3.09Å; R56-P165 WeakPolarHBondContact O-CG 3.28Å
57	G	81.7	Confident	82.8	Confident	43 Å²	43	34.7 Å²	34.7	44%	0.443	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.4	-13.2	-175.5	0	0	0	0	0	114.6	I124	G57-I124 PolarHBondContact N-O 2.9Å
58	E	81.7	Confident	84.4	Confident	62 Å²	62	32 Å²	32	29%	0.29	19%	0.193	S	C	.	.	S	Bend	trans	-100.5	170.8	179	-63.5	-174.4	-164.3	0	0	112.8	V55 R56 I124	V55-E58 HydrophobicContact CB-CB 4.07Å; V55-E58 HydrophobicContact CB-CG 3.92Å; V55-E58 HydrophobicContact CG1-CB 4.4Å; V55-E58 HydrophobicContact CG1-CG 3.78Å; V55-E58 WeakPolarHBondContact CG1-OE1 3.45Å; V55-E58 PolarHBondContact O-N 3.11Å; V55-E58 VanDerWaalsContact O-N 3.16Å; R56-E58 VanDerWaalsContact C-N 3.25Å; R56-E58 PolarHBondContact O-N 3.07Å; E58-I124 WeakPolarHBondContact O-CB 3.17Å; E58-I124 PolarHBondContact O-N 3.38Å
59	N	87.4	Confident	86.4	Confident	103 Å²	103	30.4 Å²	30.4	55%	0.551	18%	0.182	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-103.1	129.5	174.2	-72.4	-34.2	0	0	0	110	T121 L122 P123	N59-T121 HydrophobicContact CB-CG2 3.75Å; N59-L122 WeakPolarHBondContact CA-O 3.48Å; N59-P123 WeakPolarHBondContact OD1-CA 3.33Å
60	A	89	Confident	88.3	Confident	8 Å²	8	31.5 Å²	31.5	7%	0.066	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	138.2	170.6	0	0	0	0	0	110	D43 L54 T121 L122 I124	D43-A60 CarbonylContact O-C 3.44Å; D43-A60 VanDerWaalsContact O-CA 3.29Å; D43-A60 WeakPolarHBondContact O-CA 3.38Å; L54-A60 HydrophobicContact CD2-CB 3.62Å; A60-T121 CarbonylContact O-C 3.51Å; A60-T121 WeakPolarHBondContact O-CA 3.43Å; A60-L122 PolarHBondContact N-O 2.84Å; A60-L122 PolarHBondContact O-N 3.1Å; A60-I124 HydrophobicContact CB-CD1 4.12Å; A60-I124 HydrophobicContact CB-CG1 4.15Å
61	T	91.1	Very high	89.7	Confident	10 Å²	10	30.8 Å²	30.8	6%	0.061	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	112.7	-178.2	-57.9	0	0	0	0	111.3	V42 D43 R119 Q120 T121	V42-T61 CarbonylContact C-O 3.48Å; V42-T61 WeakPolarHBondContact CA-O 3.3Å; D43-T61 PolarHBondContact N-O 2.98Å; D43-T61 PolarHBondContact O-N 3.09Å; T61-R119 HydrophobicContact CG2-CG 3.65Å; T61-Q120 CarbonylContact C-O 3.45Å; T61-Q120 WeakPolarHBondContact CA-O 3.37Å; T61-T121 WeakPolarHBondContact CG2-OG1 3.41Å; T61-T121 PolarHBondContact OG1-OG1 2.93Å
62	I	93.5	Very high	90.3	Very high	12 Å²	12	29 Å²	29	6%	0.062	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	138.8	172.8	-169.9	165	0	0	0	110.3	V40 A41 V42 I64 R119 Q120 W137	V40-I62 HydrophobicContact CG1-CD1 4.37Å; V40-I62 HydrophobicContact CG1-CG1 4.49Å; A41-I62 CarbonylContact O-C 3.39Å; A41-I62 WeakPolarHBondContact O-CA 3.46Å; V42-I62 HydrophobicContact CG2-CB 4.28Å; V42-I62 HydrophobicContact CG2-CD1 4.3Å; V42-I62 HydrophobicContact CG2-CG1 3.99Å; I62-I64 HydrophobicContact CD1-CD1 4.12Å; I62-I64 HydrophobicContact CD1-CG1 4.19Å; I62-I64 HydrophobicContact CG1-CD1 4.43Å; I62-I64 HydrophobicContact CG1-CG1 4.04Å; I62-R119 CarbonylContact O-C 3.58Å; I62-R119 WeakPolarHBondContact O-CA 3.25Å; I62-Q120 HydrophobicContact CG2-CB 4.19Å; I62-Q120 PolarHBondContact N-O 3.36Å; I62-Q120 PolarHBondContact O-N 3.45Å; I62-W137 HydrophobicContact CD1-CB 4.48Å; I62-W137 HydrophobicContact CD1-CD2 4.09Å; I62-W137 HydrophobicContact CD1-CE3 4.01Å; I62-W137 HydrophobicContact CD1-CG 4.3Å; I62-W137 HydrophobicContact CG2-CD2 4.07Å; I62-W137 HydrophobicContact CG2-CE3 3.91Å; I62-W137 HydrophobicContact CG2-CH2 3.48Å; I62-W137 VanDerWaalsContact CG2-CH2 3.48Å; I62-W137 HydrophobicContact CG2-CZ2 3.66Å; I62-W137 HydrophobicContact CG2-CZ3 3.62Å
63	S	94.7	Very high	90.6	Very high	17 Å²	17	37.7 Å²	37.7	12%	0.119	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	128.2	171	-58.2	0	0	0	0	109.4	V40 A41 Y118	V40-S63 WeakPolarHBondContact CA-O 3.31Å; A41-S63 PolarHBondContact N-O 2.98Å; A41-S63 PolarHBondContact O-N 3.41Å; S63-Y118 CarbonylContact C-O 3.47Å; S63-Y118 WeakPolarHBondContact CA-O 3.09Å
64	I	96.2	Very high	91.1	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	115.2	-179.9	-52.3	172.4	0	0	0	108.2	I37 V40 I62 F66 V117 Y118 W137 V154 V156	I37-I64 HydrophobicContact CG2-CG2 4.21Å; V40-I64 HydrophobicContact CG1-CG1 4.49Å; V40-I64 HydrophobicContact CG2-CG2 4.28Å; I62-I64 HydrophobicContact CD1-CD1 4.12Å; I62-I64 HydrophobicContact CD1-CG1 4.19Å; I62-I64 HydrophobicContact CG1-CD1 4.43Å; I62-I64 HydrophobicContact CG1-CG1 4.04Å; I64-F66 HydrophobicContact CG2-CD1 4.18Å; I64-F66 WeakPolarHBondContact O-CD1 3.43Å; I64-V117 WeakPolarHBondContact O-CA 3.33Å; I64-Y118 HydrophobicContact CD1-CD1 4.24Å; I64-Y118 HydrophobicContact CG1-CD1 4.44Å; I64-Y118 PolarHBondContact N-O 2.95Å; I64-Y118 PolarHBondContact O-N 2.81Å; I64-W137 HydrophobicContact CD1-CG 4.34Å; I64-V154 HydrophobicContact CD1-CG1 4.22Å; I64-V154 HydrophobicContact CG2-CG1 4.02Å; I64-V156 HydrophobicContact CD1-CG2 3.75Å
65	T	97.1	Very high	91.4	Very high	12 Å²	12	39.6 Å²	39.6	7%	0.074	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	123.7	175.8	-55	0	0	0	0	108.9	K38 E39 Q115 Y116 V117	K38-T65 HydrophobicContact CB-CG2 4.02Å; K38-T65 PolarHBondContact N-O 2.91Å; E39-T65 PolarHBondContact N-O 2.78Å; E39-T65 PolarHBondContact O-N 2.84Å; T65-Q115 HydrophobicContact CG2-CG 3.66Å; T65-Y116 WeakPolarHBondContact CA-O 3.3Å; T65-V117 HydrophobicContact CG2-CG2 4.15Å
66	F	97.5	Very high	92.1	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	163	-178.2	63.2	-88.5	0	0	0	112.9	F35 Q36 I64 P68 L106 L110 Y116 L139 V154	F35-F66 HydrophobicContact CB-CD2 4.19Å; F35-F66 AromaticContact CD2-CD2 3.63Å; F35-F66 HydrophobicContact CD2-CD2 3.63Å; F35-F66 AromaticContact CD2-CE2 3.67Å; F35-F66 HydrophobicContact CD2-CE2 3.67Å; F35-F66 HydrophobicContact CE2-CD2 4.47Å; F35-F66 HydrophobicContact CE2-CE2 4.1Å; F35-F66 HydrophobicContact CG-CD2 4.37Å; Q36-F66 CarbonylContact O-C 3.5Å; Q36-F66 WeakPolarHBondContact O-CA 3.45Å; Q36-F66 WeakPolarHBondContact O-CB 3.15Å; I64-F66 HydrophobicContact CG2-CD1 4.18Å; I64-F66 WeakPolarHBondContact O-CD1 3.43Å; F66-P68 HydrophobicContact CD2-CG 4.23Å; F66-P68 HydrophobicContact CE2-CG 4.05Å; F66-L106 HydrophobicContact CZ-CD1 4.12Å; F66-L106 HydrophobicContact CZ-CD2 4.24Å; F66-L110 HydrophobicContact CE2-CD1 3.97Å; F66-L110 HydrophobicContact CZ-CD1 4.11Å; F66-Y116 PolarHBondContact N-O 3.37Å; F66-Y116 PolarHBondContact O-N 2.74Å; F66-L139 HydrophobicContact CE1-CD1 4.01Å; F66-L139 HydrophobicContact CZ-CD1 4.11Å; F66-V154 HydrophobicContact CB-CG2 4.44Å; F66-V154 HydrophobicContact CD1-CG2 4.01Å; F66-V154 HydrophobicContact CD2-CG2 4.11Å; F66-V154 HydrophobicContact CE1-CG2 4.28Å; F66-V154 HydrophobicContact CE2-CG2 4.36Å; F66-V154 HydrophobicContact CG-CG2 3.92Å; F66-V154 HydrophobicContact CZ-CG2 4.44Å
67	V	97.8	Very high	92.7	Very high	20 Å²	20	38 Å²	38	12%	0.121	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	114.2	175.8	-178.3	0	0	0	0	109.1	Q36 K38 Q115	Q36-V67 HydrophobicContact CB-CB 4.36Å; Q36-V67 PolarHBondContact N-O 2.92Å; Q36-V67 PolarHBondContact O-N 3.37Å; K38-V67 HydrophobicContact CG-CG2 4.17Å; V67-Q115 HydrophobicContact CG2-CB 4.15Å; V67-Q115 HydrophobicContact CG2-CG 4.34Å
68	P	96.8	Very high	93.3	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.006	19%	0.192	C	C	.	.			trans	-61.9	137.7	176	-23.3	35.3	0	0	0	112.3	F35 F66 K70 L110 K112 G113 Q114 Y116	F35-P68 HydrophobicContact CD1-CB 4.33Å; F35-P68 HydrophobicContact CD2-CB 4.07Å; F35-P68 HydrophobicContact CD2-CG 4.21Å; F35-P68 HydrophobicContact CE1-CB 4.06Å; F35-P68 HydrophobicContact CE2-CB 3.75Å; F35-P68 HydrophobicContact CE2-CG 4.02Å; F35-P68 HydrophobicContact CG-CB 4.33Å; F35-P68 HydrophobicContact CZ-CB 3.75Å; F35-P68 HydrophobicContact CZ-CG 4.48Å; F66-P68 HydrophobicContact CD2-CG 4.23Å; F66-P68 HydrophobicContact CE2-CG 4.05Å; P68-K70 WeakPolarHBondContact CB-O 3.49Å; P68-L110 HydrophobicContact CG-CB 4.08Å; P68-L110 HydrophobicContact CG-CD1 4.33Å; P68-K112 WeakPolarHBondContact O-CA 3.27Å; P68-G113 PolarHBondContact O-N 2.86Å; P68-Q114 WeakPolarHBondContact CD-O 3.43Å; P68-Y116 HydrophobicContact CG-CD2 3.75Å; P68-Y116 HydrophobicContact CG-CE2 3.88Å
69	T	95.3	Very high	93.9	Very high	50 Å²	50	35.8 Å²	35.8	31%	0.307	18%	0.18	S	C	.	.	S	Bend	trans	-93.6	-10.5	175.2	52.4	0	0	0	0	113	I34 Q36 K112	I34-T69 WeakPolarHBondContact CG2-OG1 3.19Å; I34-T69 WeakPolarHBondContact O-CG2 3.26Å; I34-T69 PolarHBondContact O-OG1 3.31Å; Q36-T69 HydrophobicContact CG-CG2 4.32Å; T69-K112 WeakPolarHBondContact O-CD 3.39Å; T69-K112 WeakPolarHBondContact O-CE 3.34Å; T69-K112 WeakPolarHBondContact O-CG 3.13Å
70	K	93.9	Very high	94.2	Very high	75 Å²	75	32 Å²	32	33%	0.326	16%	0.159	S	C	.	.	S	Bend	trans	-146.1	162.5	173.8	58.1	172.2	-172.5	170.8	0	110.3	F35 P68 E141	F35-K70 HydrophobicContact CE1-CG 3.89Å; F35-K70 HydrophobicContact CZ-CG 4.47Å; P68-K70 WeakPolarHBondContact CB-O 3.49Å; K70-E141 VanDerWaalsContact CE-OE2 3.24Å; K70-E141 WeakPolarHBondContact CE-OE2 3.49Å; K70-E141 IonicContact NZ-OE2 3.23Å; K70-E141 PolarHBondContact NZ-OE2 2.83Å
71	E	93.6	Very high	94.3	Very high	99 Å²	99	32.4 Å²	32.4	46%	0.463	16%	0.163	S	C	.	.			trans	-68	141.3	172	-176.8	-179	129.3	0	0	110.3	R73 P109 L110	E71-R73 IonicContact OE1-CZ 3.62Å; E71-R73 IonicContact OE1-NE 2.83Å; E71-R73 PolarHBondContact OE1-NE 3Å; E71-R73 VanDerWaalsContact OE1-NE 3.13Å; E71-R73 IonicContact OE1-NH2 2.75Å; E71-R73 PolarHBondContact OE1-NH2 2.89Å; E71-P109 HydrophobicContact CG-CB 4.39Å; E71-L110 VanDerWaalsContact CA-O 3.28Å; E71-L110 WeakPolarHBondContact CA-O 3.31Å; E71-L110 WeakPolarHBondContact CG-O 3.36Å
72	V	92.3	Very high	94.2	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.006	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-136.9	134.2	178	140.3	0	0	0	0	109.3	F35 L75 P109 L110 E141	F35-V72 HydrophobicContact CZ-CB 4.3Å; F35-V72 HydrophobicContact CZ-CG2 3.83Å; V72-L75 HydrophobicContact CG1-CD1 3.77Å; V72-L75 HydrophobicContact CG1-CD2 3.66Å; V72-L75 HydrophobicContact CG1-CG 3.39Å; V72-P109 CarbonylContact O-C 3.48Å; V72-P109 VanDerWaalsContact O-CA 3.24Å; V72-P109 WeakPolarHBondContact O-CA 3.41Å; V72-L110 HydrophobicContact CG1-CD1 4.42Å; V72-L110 HydrophobicContact CG1-CG 4.47Å; V72-L110 PolarHBondContact N-O 2.8Å; V72-L110 PolarHBondContact O-N 2.8Å; V72-E141 HydrophobicContact CG2-CB 4.4Å; V72-E141 HydrophobicContact CG2-CG 4Å; V72-E141 VanDerWaalsContact CG2-OE1 3.32Å; V72-E141 WeakPolarHBondContact CG2-OE1 3.4Å
73	R	92.3	Very high	93.7	Very high	188 Å²	188	34.2 Å²	34.2	71%	0.709	17%	0.173	S	C	*	.	S	Bend	trans	-105.5	-23.1	-177.2	-58.3	-169.6	175.9	179.1	0.5	114	E71 C108 P109	E71-R73 IonicContact OE1-CZ 3.62Å; E71-R73 IonicContact OE1-NE 2.83Å; E71-R73 PolarHBondContact OE1-NE 3Å; E71-R73 VanDerWaalsContact OE1-NE 3.13Å; E71-R73 IonicContact OE1-NH2 2.75Å; E71-R73 PolarHBondContact OE1-NH2 2.89Å; R73-C108 WeakPolarHBondContact O-CB 3.47Å; R73-P109 HydrophobicContact CG-CB 4.15Å
74	N	92.1	Very high	92.6	Very high	68 Å²	68	43.3 Å²	43.3	36%	0.364	21%	0.21	S	C	.	.			trans	-142.6	132.8	-177.3	-164.8	-3.7	0	0	0	109.8
75	L	93.9	Very high	91.4	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	139.2	177.8	-72.9	174.5	0	0	0	110	V72 A100 L106 L110 L139 V140 E141 P153	V72-L75 HydrophobicContact CG1-CD1 3.77Å; V72-L75 HydrophobicContact CG1-CD2 3.66Å; V72-L75 HydrophobicContact CG1-CG 3.39Å; L75-A100 HydrophobicContact CB-CB 3.8Å; L75-A100 PolarHBondContact O-N 3.15Å; L75-L106 HydrophobicContact CD1-CD1 4.23Å; L75-L110 HydrophobicContact CD1-CD1 3.56Å; L75-L110 HydrophobicContact CD1-CG 4.49Å; L75-L139 HydrophobicContact CD2-CB 4.42Å; L75-V140 CarbonylContact C-O 3.49Å; L75-V140 WeakPolarHBondContact CA-O 3.13Å; L75-E141 HydrophobicContact CD2-CB 4.36Å; L75-P153 HydrophobicContact CD2-CB 4.17Å; L75-P153 HydrophobicContact CD2-CG 3.87Å
76	T	94.3	Very high	89.7	Confident	25 Å²	25	52 Å²	52	15%	0.153	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	144.1	168.4	57.9	0	0	0	0	111.2	P98 L139 V140 H142	T76-P98 CarbonylContact C-O 3.43Å; T76-P98 WeakPolarHBondContact CA-O 3.47Å; T76-L139 CarbonylContact O-C 3.58Å; T76-L139 VanDerWaalsContact O-CA 3.3Å; T76-L139 WeakPolarHBondContact O-CA 3.24Å; T76-V140 PolarHBondContact N-O 3.32Å; T76-V140 PolarHBondContact O-N 3.25Å; T76-H142 VanDerWaalsContact CG2-CD2 3.48Å; T76-H142 WeakPolarHBondContact CG2-CD2 3.4Å; T76-H142 WeakPolarHBondContact CG2-NE2 3.2Å; T76-H142 PolarHBondContact OG1-CD2 2.84Å; T76-H142 PolarHBondContact OG1-NE2 2.76Å
77	A	95	Very high	88.1	Confident	5 Å²	5	61.1 Å²	61.1	4%	0.041	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	128.2	175.7	0	0	0	0	0	110.4	L95 P98 A100 Y118 E138 L139	A77-L95 HydrophobicContact CB-CD1 3.52Å; A77-P98 PolarHBondContact N-O 2.85Å; A77-A100 HydrophobicContact CB-CB 4.47Å; A77-Y118 HydrophobicContact CB-CE2 4.46Å; A77-Y118 WeakPolarHBondContact CB-OH 3.2Å; A77-E138 CarbonylContact C-O 3.59Å; A77-E138 WeakPolarHBondContact CA-O 3.49Å; A77-L139 HydrophobicContact CB-CD2 3.85Å
78	V	94	Very high	86.3	Confident	52 Å²	52	64.5 Å²	64.5	32%	0.315	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	128	179	-176.6	0	0	0	0	109	H80 E138 V140	V78-H80 WeakPolarHBondContact CG1-CE1 2.95Å; V78-E138 HydrophobicContact CB-CB 4.39Å; V78-E138 PolarHBondContact N-O 2.82Å; V78-E138 PolarHBondContact O-N 3.06Å; V78-V140 HydrophobicContact CG2-CG2 4.03Å
79	V	94.5	Very high	85.4	Confident	5 Å²	5	66.2 Å²	66.2	3%	0.03	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	133.5	-173.8	-174.5	0	0	0	0	110.1	F93 L95 I135 K136 W137	V79-F93 HydrophobicContact CB-CB 4.08Å; V79-F93 HydrophobicContact CG1-CB 4.04Å; V79-F93 PolarHBondContact O-N 2.86Å; V79-L95 HydrophobicContact CG2-CD1 3.87Å; V79-L95 HydrophobicContact CG2-CD2 4.11Å; V79-L95 HydrophobicContact CG2-CG 4.07Å; V79-I135 HydrophobicContact CG1-CG2 3.97Å; V79-K136 WeakPolarHBondContact CA-O 3.35Å; V79-W137 HydrophobicContact CB-CE3 4.34Å; V79-W137 HydrophobicContact CB-CZ3 4.48Å; V79-W137 HydrophobicContact CG1-CE3 3.85Å; V79-W137 HydrophobicContact CG1-CZ3 4.02Å; V79-W137 HydrophobicContact CG2-CD2 3.58Å; V79-W137 HydrophobicContact CG2-CE3 3.51Å; V79-W137 HydrophobicContact CG2-CG 4.28Å; V79-W137 HydrophobicContact CG2-CH2 3.7Å; V79-W137 HydrophobicContact CG2-CZ2 3.74Å; V79-W137 HydrophobicContact CG2-CZ3 3.58Å
80	H	92.8	Very high	84.9	Confident	25 Å²	25	68.7 Å²	68.7	12%	0.116	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	134.3	175.1	-60.1	95.3	0	0	0	111.4	V78 K90 V91 I135 K136 E138	V78-H80 WeakPolarHBondContact CG1-CE1 2.95Å; H80-K90 HydrophobicContact CB-CG 4.06Å; H80-K90 WeakPolarHBondContact CD2-CE 3.42Å; H80-K90 WeakPolarHBondContact ND1-CE 3.4Å; H80-K90 WeakPolarHBondContact NE2-CE 3.21Å; H80-V91 CarbonylContact C-O 3.44Å; H80-V91 WeakPolarHBondContact CA-O 3.21Å; H80-I135 WeakPolarHBondContact O-CA 3.09Å; H80-K136 HydrophobicContact CB-CB 4.41Å; H80-K136 PolarHBondContact N-O 2.87Å; H80-K136 PolarHBondContact O-N 2.78Å; H80-E138 IonicContact ND1-OE2 3.71Å
81	G	90.9	Very high	84.6	Confident	15 Å²	15	68.2 Å²	68.2	16%	0.155	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	128.3	164.5	0	0	0	0	0	110.2	V91	G81-V91 PolarHBondContact N-O 3.29Å; G81-V91 PolarHBondContact O-N 2.86Å
82	I	90	Very high	84.3	Confident	51 Å²	51	67 Å²	67	26%	0.262	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	115.5	177.8	-54.5	168.4	0	0	0	107.8	G89 K90 L133 L134 K136	I82-G89 WeakPolarHBondContact CA-O 3.48Å; I82-K90 HydrophobicContact CG1-CB 4.45Å; I82-K90 HydrophobicContact CG1-CG 4.22Å; I82-L133 CarbonylContact O-C 3.58Å; I82-L133 WeakPolarHBondContact O-CA 3.16Å; I82-L134 HydrophobicContact CB-CB 4.29Å; I82-L134 PolarHBondContact N-O 3.29Å; I82-L134 PolarHBondContact O-N 2.92Å; I82-K136 HydrophobicContact CD1-CB 4.2Å
83	S	83.7	Confident	84.1	Confident	9 Å²	9	69 Å²	69	6%	0.063	36%	0.356	C	S	.	.			trans	-108.9	136.2	172.2	-173.1	0	0	0	0	109.7	E85 A86 G89 V132	S83-E85 PolarHBondContact OG-N 2.74Å; S83-A86 PolarHBondContact OG-N 2.77Å; S83-G89 PolarHBondContact N-O 3.04Å; S83-V132 PolarHBondContact OG-O 2.94Å
84	K	71.5	Confident	83.9	Confident	208 Å²	208	67.8 Å²	67.8	90%	0.904	36%	0.359	S	S	*	.	S	Bend	trans	-84	-21.1	169.6	-70.7	-171.5	177	-175.4	0	112.4
85	E	69.4	Low	83.7	Confident	165 Å²	165	65.4 Å²	65.4	77%	0.771	35%	0.345	S	S	*	.	S	Bend	trans	-102.1	-35.6	-163.5	-160.9	159.9	-136.3	0	0	111.5	S83	S83-E85 PolarHBondContact OG-N 2.74Å
86	A	62.9	Low	83.3	Confident	30 Å²	30	70.8 Å²	70.8	25%	0.248	38%	0.38	C	S	.	.	S	Bend	trans	-90.5	134.3	172.8	0	0	0	0	0	109.4	S83 I88	S83-A86 PolarHBondContact OG-N 2.77Å; A86-I88 HydrophobicContact CB-CD1 3.52Å; A86-I88 HydrophobicContact CB-CG1 3.25Å; A86-I88 PolarHBondContact O-N 2.8Å
87	L	62.6	Low	83.2	Confident	192 Å²	192	71.4 Å²	71.4	100%	1.005	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	9.4	178.4	-64.3	171.4	0	0	0	114.9
88	I	60.5	Low	83	Confident	90 Å²	90	74.3 Å²	74.3	46%	0.462	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-13.6	-178.3	23	173.9	0	0	0	113.5	A86 K90 V91 I131	A86-I88 HydrophobicContact CB-CD1 3.52Å; A86-I88 HydrophobicContact CB-CG1 3.25Å; A86-I88 PolarHBondContact O-N 2.8Å; I88-K90 PolarHBondContact O-N 2.7Å; I88-V91 HydrophobicContact CB-CG2 3.88Å; I88-V91 HydrophobicContact CG2-CG2 4.23Å; I88-I131 HydrophobicContact CD1-CD1 3.96Å
89	G	78.4	Confident	83	Confident	37 Å²	37	73.8 Å²	73.8	38%	0.381	40%	0.397	S	S	.	.			trans	58.6	-120.4	177	0	0	0	0	0	113.1	I82 S83	I82-G89 WeakPolarHBondContact CA-O 3.48Å; S83-G89 PolarHBondContact N-O 3.04Å
90	K	84.9	Confident	83	Confident	102 Å²	102	73.6 Å²	73.6	44%	0.443	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	111.5	179.5	179.9	177.7	174.8	179.2	0	110.3	H80 I82 I88	H80-K90 HydrophobicContact CB-CG 4.06Å; H80-K90 WeakPolarHBondContact CD2-CE 3.42Å; H80-K90 WeakPolarHBondContact ND1-CE 3.4Å; H80-K90 WeakPolarHBondContact NE2-CE 3.21Å; I82-K90 HydrophobicContact CG1-CB 4.45Å; I82-K90 HydrophobicContact CG1-CG 4.22Å; I88-K90 PolarHBondContact O-N 2.7Å
91	V	87.1	Confident	83.1	Confident	66 Å²	66	73.5 Å²	73.5	40%	0.4	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	123.1	-179.7	-177.2	0	0	0	0	110	H80 G81 I88	H80-V91 CarbonylContact C-O 3.44Å; H80-V91 WeakPolarHBondContact CA-O 3.21Å; G81-V91 PolarHBondContact N-O 3.29Å; G81-V91 PolarHBondContact O-N 2.86Å; I88-V91 HydrophobicContact CB-CG2 3.88Å; I88-V91 HydrophobicContact CG2-CG2 4.23Å
92	P	87.3	Confident	83.2	Confident	72 Å²	72	78.7 Å²	78.7	47%	0.468	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	139.8	173.5	30	-33.2	0	0	0	110.8
93	F	87.3	Confident	83.1	Confident	44 Å²	44	83 Å²	83	19%	0.193	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	119.6	170.2	-168.9	-70.8	0	0	0	109.5	V79 L95 L122 Y128	V79-F93 HydrophobicContact CB-CB 4.08Å; V79-F93 HydrophobicContact CG1-CB 4.04Å; V79-F93 PolarHBondContact O-N 2.86Å; F93-L95 HydrophobicContact CD1-CD2 4.2Å; F93-L95 HydrophobicContact CE1-CD2 4.39Å; F93-L95 PolarHBondContact O-N 3.47Å; F93-L122 HydrophobicContact CD1-CD1 3.51Å; F93-L122 HydrophobicContact CD2-CD1 4.39Å; F93-L122 HydrophobicContact CE1-CD1 3.03Å; F93-L122 HydrophobicContact CE1-CG 4.07Å; F93-L122 HydrophobicContact CE2-CD1 3.93Å; F93-L122 HydrophobicContact CE2-CD2 4.2Å; F93-L122 HydrophobicContact CE2-CG 4.17Å; F93-L122 HydrophobicContact CG-CD1 4.2Å; F93-L122 HydrophobicContact CZ-CD1 3.25Å; F93-L122 HydrophobicContact CZ-CD2 4.29Å; F93-L122 HydrophobicContact CZ-CG 3.78Å; F93-Y128 AromaticContact CE2-CE2 3.72Å; F93-Y128 HydrophobicContact CE2-CE2 3.72Å; F93-Y128 AromaticContact CE2-CZ 3.67Å; F93-Y128 WeakPolarHBondContact CE2-OH 3.19Å; F93-Y128 HydrophobicContact CZ-CE2 4.47Å; F93-Y128 WeakPolarHBondContact CZ-OH 3.46Å
94	H	88.1	Confident	83.4	Confident	163 Å²	163	82.7 Å²	82.7	76%	0.755	44%	0.437	S	S	*	.			trans	-82.9	114	177.4	-60.1	126.3	0	0	0	110.7
95	L	88.4	Confident	84.5	Confident	17 Å²	17	78.2 Å²	78.2	9%	0.089	42%	0.423	C	S	.	.			trans	-73.9	146.2	172.8	-64.7	175.6	0	0	0	110.4	A77 V79 F93 N97 Q120 L122 W137	A77-L95 HydrophobicContact CB-CD1 3.52Å; V79-L95 HydrophobicContact CG2-CD1 3.87Å; V79-L95 HydrophobicContact CG2-CD2 4.11Å; V79-L95 HydrophobicContact CG2-CG 4.07Å; F93-L95 HydrophobicContact CD1-CD2 4.2Å; F93-L95 HydrophobicContact CE1-CD2 4.39Å; F93-L95 PolarHBondContact O-N 3.47Å; L95-N97 VanDerWaalsContact C-N 3.25Å; L95-N97 PolarHBondContact O-N 3.18Å; L95-Q120 HydrophobicContact CD1-CG 4.42Å; L95-Q120 HydrophobicContact CD2-CG 4.17Å; L95-L122 HydrophobicContact CD2-CD1 3.78Å; L95-W137 HydrophobicContact CD1-CH2 4.48Å; L95-W137 HydrophobicContact CD1-CZ2 4.1Å; L95-W137 HydrophobicContact CD2-CH2 4Å; L95-W137 HydrophobicContact CD2-CZ2 4.42Å
96	P	86.3	Confident	85.6	Confident	113 Å²	113	70.7 Å²	70.7	73%	0.734	39%	0.388	S	S	*	.	S	Bend	trans	-56.9	-39.6	175.6	-24.8	33.8	0	0	0	113
97	N	90.9	Very high	87.1	Confident	39 Å²	39	75 Å²	75	21%	0.209	41%	0.411	C	S	.	.			trans	-130.5	110.8	171.4	-177.1	2.6	0	0	0	108.5	L95 N99 K102 D103	L95-N97 VanDerWaalsContact C-N 3.25Å; L95-N97 PolarHBondContact O-N 3.18Å; N97-N99 VanDerWaalsContact C-N 3.33Å; N97-N99 VanDerWaalsContact OD1-CB 3.3Å; N97-N99 WeakPolarHBondContact OD1-CB 3.37Å; N97-N99 PolarHBondContact OD1-N 3.1Å; N97-K102 WeakPolarHBondContact ND2-CB 3.1Å; N97-D103 PolarHBondContact ND2-OD2 2.89Å
98	P	92.5	Very high	88.6	Confident	65 Å²	65	67.2 Å²	67.2	42%	0.422	37%	0.372	S	S	.	.			trans	-80.3	-11.7	176.2	32.2	-34.8	0	0	0	112.7	T76 A77 A100	T76-P98 CarbonylContact C-O 3.43Å; T76-P98 WeakPolarHBondContact CA-O 3.47Å; A77-P98 PolarHBondContact N-O 2.85Å; P98-A100 PolarHBondContact O-N 2.95Å; P98-A100 VanDerWaalsContact O-N 3.11Å
99	N	93.9	Very high	90.3	Very high	42 Å²	42	66.2 Å²	66.2	23%	0.225	37%	0.371	C	S	.	.	B	Isolated β-bridge	trans	-73.4	104.3	178.7	-176	-25.9	0	0	0	109.9	N97 C101 K102	N97-N99 VanDerWaalsContact C-N 3.33Å; N97-N99 VanDerWaalsContact OD1-CB 3.3Å; N97-N99 WeakPolarHBondContact OD1-CB 3.37Å; N97-N99 PolarHBondContact OD1-N 3.1Å; N99-C101 PolarHBondContact O-N 2.92Å; N99-C101 WeakPolarHBondContact OD1-CA 3.43Å; N99-C101 VanDerWaalsContact OD1-CB 3.28Å; N99-C101 WeakPolarHBondContact OD1-CB 3.44Å; N99-C101 PolarHBondContact OD1-N 3.44Å; N99-K102 HydrophobicContact CB-CB 4.36Å; N99-K102 PolarHBondContact O-N 2.93Å
100	A	94.5	Very high	91.1	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-16.1	-176.8	0	0	0	0	0	113	L75 A77 P98 S104 L106 Y118 L139	L75-A100 HydrophobicContact CB-CB 3.8Å; L75-A100 PolarHBondContact O-N 3.15Å; A77-A100 HydrophobicContact CB-CB 4.47Å; P98-A100 PolarHBondContact O-N 2.95Å; P98-A100 VanDerWaalsContact O-N 3.11Å; A100-S104 WeakPolarHBondContact O-CB 3.36Å; A100-L106 HydrophobicContact CB-CD1 4.5Å; A100-L106 WeakPolarHBondContact O-CB 3.17Å; A100-Y118 HydrophobicContact CB-CD2 4.18Å; A100-Y118 HydrophobicContact CB-CE2 3.7Å; A100-L139 HydrophobicContact CB-CD2 3.99Å
101	C	94.3	Very high	91.6	Very high	23 Å²	23	65.8 Å²	65.8	16%	0.155	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84	4.2	173.1	-54	0	0	0	0	113	N99 L106 C108	N99-C101 PolarHBondContact O-N 2.92Å; N99-C101 WeakPolarHBondContact OD1-CA 3.43Å; N99-C101 VanDerWaalsContact OD1-CB 3.28Å; N99-C101 WeakPolarHBondContact OD1-CB 3.44Å; N99-C101 PolarHBondContact OD1-N 3.44Å; C101-L106 CarbonylContact C-O 3.51Å; C101-C108 HydrophobicContact CB-CB 3.7Å; C101-C108 WeakPolarHBondContact CB-SG 3.24Å; C101-C108 WeakPolarHBondContact SG-CB 3.49Å; C101-C108 CovalentContact SG-SG 2.03Å; C101-C108 PolarHBondContact SG-SG 2.9Å
102	K	92	Very high	92	Very high	125 Å²	125	70.1 Å²	70.1	54%	0.543	37%	0.373	S	S	.	.	S	Bend	trans	-130.6	138.1	176.6	-68.4	-174	179.2	-175.7	0	109.7	N97 N99 S104	N97-K102 WeakPolarHBondContact ND2-CB 3.1Å; N99-K102 HydrophobicContact CB-CB 4.36Å; N99-K102 PolarHBondContact O-N 2.93Å; K102-S104 PolarHBondContact O-N 2.65Å; K102-S104 PolarHBondContact O-OG 2.85Å
103	D	88.4	Confident	92.5	Very high	142 Å²	142	69.4 Å²	69.4	76%	0.759	38%	0.378	S	S	*	.	S	Bend	trans	55.1	11.2	175.1	-46.2	-47.3	0	0	0	116.2	N97	N97-D103 PolarHBondContact ND2-OD2 2.89Å
104	S	91.1	Very high	92.9	Very high	1 Å²	1	71.8 Å²	71.8	1%	0.007	39%	0.39	C	S	.	.	S	Bend	trans	-121.1	22.5	-172.8	-46.6	0	0	0	0	113.6	A100 K102 L106 R119	A100-S104 WeakPolarHBondContact O-CB 3.36Å; K102-S104 PolarHBondContact O-N 2.65Å; K102-S104 PolarHBondContact O-OG 2.85Å; S104-L106 PolarHBondContact O-N 2.9Å; S104-L106 VanDerWaalsContact O-N 3.16Å; S104-R119 CarbonylContact C-O 3.57Å; S104-R119 WeakPolarHBondContact CA-O 3.48Å; S104-R119 WeakPolarHBondContact CB-O 3.4Å; S104-R119 PolarHBondContact O-N 3.32Å
105	N	93.3	Very high	93.4	Very high	115 Å²	115	69.4 Å²	69.4	62%	0.615	38%	0.379	S	S	*	.	S	Bend	trans	61.6	14.9	-176.1	-165.2	57.9	0	0	0	115.5	V117 R119	N105-V117 WeakPolarHBondContact CB-O 3.22Å; N105-V117 PolarHBondContact ND2-O 2.87Å; N105-R119 HydrophobicContact CB-CB 4.11Å
106	L	94.1	Very high	93.8	Very high	6 Å²	6	70 Å²	70	3%	0.031	38%	0.381	C	S	.	.			trans	-111.2	138.3	170.6	-57.1	-179.4	0	0	0	110.5	F66 L75 A100 C101 S104 L110 Y116 Y118	F66-L106 HydrophobicContact CZ-CD1 4.12Å; F66-L106 HydrophobicContact CZ-CD2 4.24Å; L75-L106 HydrophobicContact CD1-CD1 4.23Å; A100-L106 HydrophobicContact CB-CD1 4.5Å; A100-L106 WeakPolarHBondContact O-CB 3.17Å; C101-L106 CarbonylContact C-O 3.51Å; S104-L106 PolarHBondContact O-N 2.9Å; S104-L106 VanDerWaalsContact O-N 3.16Å; L106-L110 HydrophobicContact CB-CD2 4.49Å; L106-Y116 HydrophobicContact CD2-CD1 4.35Å; L106-Y116 HydrophobicContact CD2-CG 4.36Å; L106-Y118 HydrophobicContact CD1-CD2 3.75Å; L106-Y118 HydrophobicContact CD1-CG 4.39Å; L106-Y118 HydrophobicContact CG-CD2 4.15Å
107	V	94.2	Very high	94.3	Very high	120 Å²	120	67 Å²	67	73%	0.727	36%	0.36	S	S	*	.			trans	-119	114.8	168.7	-178.9	0	0	0	0	107.3
108	C	93.6	Very high	94.6	Very high	29 Å²	29	65.2 Å²	65.2	20%	0.196	35%	0.35	C	S	.	.	S	Bend	trans	-86.5	147	179.2	-62	0	0	0	0	110.5	R73 C101	R73-C108 WeakPolarHBondContact O-CB 3.47Å; C101-C108 HydrophobicContact CB-CB 3.7Å; C101-C108 WeakPolarHBondContact CB-SG 3.24Å; C101-C108 WeakPolarHBondContact SG-CB 3.49Å; C101-C108 CovalentContact SG-SG 2.03Å; C101-C108 PolarHBondContact SG-SG 2.9Å
109	P	94.9	Very high	94.7	Very high	69 Å²	69	68.4 Å²	68.4	45%	0.448	35%	0.354	S	S	.	.	S	Bend	cis	-78.9	145.2	9.4	32.8	-36.5	0	0	0	114.4	E71 V72 R73	E71-P109 HydrophobicContact CG-CB 4.39Å; V72-P109 CarbonylContact O-C 3.48Å; V72-P109 VanDerWaalsContact O-CA 3.24Å; V72-P109 WeakPolarHBondContact O-CA 3.41Å; R73-P109 HydrophobicContact CG-CB 4.15Å
110	L	95.3	Very high	94.7	Very high	0 Å²	0	67.3 Å²	67.3	0%	0	35%	0.348	C	S	.	.	B	Isolated β-bridge	trans	-85.1	130.5	172.7	-53.9	-172.4	0	0	0	110	F66 P68 E71 V72 L75 L106 Y116	F66-L110 HydrophobicContact CE2-CD1 3.97Å; F66-L110 HydrophobicContact CZ-CD1 4.11Å; P68-L110 HydrophobicContact CG-CB 4.08Å; P68-L110 HydrophobicContact CG-CD1 4.33Å; E71-L110 VanDerWaalsContact CA-O 3.28Å; E71-L110 WeakPolarHBondContact CA-O 3.31Å; E71-L110 WeakPolarHBondContact CG-O 3.36Å; V72-L110 HydrophobicContact CG1-CD1 4.42Å; V72-L110 HydrophobicContact CG1-CG 4.47Å; V72-L110 PolarHBondContact N-O 2.8Å; V72-L110 PolarHBondContact O-N 2.8Å; L75-L110 HydrophobicContact CD1-CD1 3.56Å; L75-L110 HydrophobicContact CD1-CG 4.49Å; L106-L110 HydrophobicContact CB-CD2 4.49Å; L110-Y116 HydrophobicContact CB-CD2 4.47Å; L110-Y116 HydrophobicContact CB-CE2 3.95Å; L110-Y116 HydrophobicContact CD2-CD1 3.75Å; L110-Y116 HydrophobicContact CD2-CD2 4.28Å; L110-Y116 HydrophobicContact CD2-CE1 3.62Å; L110-Y116 HydrophobicContact CD2-CE2 4.16Å; L110-Y116 HydrophobicContact CD2-CG 4.07Å
111	K	96	Very high	94.5	Very high	131 Å²	131	70 Å²	70	57%	0.57	36%	0.364	S	S	*	.	P	Polyproline II helix	trans	-89.8	142.3	179.9	-64.8	-179.6	-178.3	178	0	111.2	G113 Q114 Y116	K111-G113 PolarHBondContact O-N 2.89Å; K111-Q114 HydrophobicContact CB-CB 4.4Å; K111-Q114 PolarHBondContact O-N 3.3Å; K111-Y116 PolarHBondContact N-OH 3.01Å
112	K	96.7	Very high	94.2	Very high	156 Å²	156	69.6 Å²	69.6	68%	0.678	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	135.3	172.4	177.6	178.7	-178.9	-179.9	0	110.6	P68 T69 Q114	P68-K112 WeakPolarHBondContact O-CA 3.27Å; T69-K112 WeakPolarHBondContact O-CD 3.39Å; T69-K112 WeakPolarHBondContact O-CE 3.34Å; T69-K112 WeakPolarHBondContact O-CG 3.13Å; K112-Q114 PolarHBondContact O-N 2.79Å
113	G	96.1	Very high	94	Very high	57 Å²	57	66 Å²	66	59%	0.588	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.1	-8	173.7	0	0	0	0	0	115.4	P68 K111	P68-G113 PolarHBondContact O-N 2.86Å; K111-G113 PolarHBondContact O-N 2.89Å
114	Q	97.3	Very high	94	Very high	94 Å²	94	59.4 Å²	59.4	44%	0.439	32%	0.315	S	S	.	.			trans	-86.9	139.5	175.8	-179.1	172.1	-4.4	0	0	110.8	P68 K111 K112 Y116	P68-Q114 WeakPolarHBondContact CD-O 3.43Å; K111-Q114 HydrophobicContact CB-CB 4.4Å; K111-Q114 PolarHBondContact O-N 3.3Å; K112-Q114 PolarHBondContact O-N 2.79Å; Q114-Y116 HydrophobicContact CB-CE2 3.72Å; Q114-Y116 HydrophobicContact CG-CD2 4.49Å; Q114-Y116 HydrophobicContact CG-CE1 4.47Å; Q114-Y116 HydrophobicContact CG-CE2 3.83Å; Q114-Y116 VanDerWaalsContact O-CD2 3.24Å; Q114-Y116 WeakPolarHBondContact O-CD2 3.38Å; Q114-Y116 WeakPolarHBondContact O-CE2 3.13Å; Q114-Y116 PolarHBondContact OE1-OH 2.77Å; Q114-Y116 VanDerWaalsContact OE1-OH 3.07Å
115	Q	97.6	Very high	93.8	Very high	114 Å²	114	64.6 Å²	64.6	53%	0.533	34%	0.337	S	S	.	.			trans	-81.5	136	176.4	-172.7	169.3	-68.1	0	0	111.1	T65 V67	T65-Q115 HydrophobicContact CG2-CG 3.66Å; V67-Q115 HydrophobicContact CG2-CB 4.15Å; V67-Q115 HydrophobicContact CG2-CG 4.34Å
116	Y	97.4	Very high	93.1	Very high	29 Å²	29	63.3 Å²	63.3	11%	0.114	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	155.5	175.5	-64	-87.6	0	0	0	110.6	T65 F66 P68 L106 L110 K111 Q114	T65-Y116 WeakPolarHBondContact CA-O 3.3Å; F66-Y116 PolarHBondContact N-O 3.37Å; F66-Y116 PolarHBondContact O-N 2.74Å; P68-Y116 HydrophobicContact CG-CD2 3.75Å; P68-Y116 HydrophobicContact CG-CE2 3.88Å; L106-Y116 HydrophobicContact CD2-CD1 4.35Å; L106-Y116 HydrophobicContact CD2-CG 4.36Å; L110-Y116 HydrophobicContact CB-CD2 4.47Å; L110-Y116 HydrophobicContact CB-CE2 3.95Å; L110-Y116 HydrophobicContact CD2-CD1 3.75Å; L110-Y116 HydrophobicContact CD2-CD2 4.28Å; L110-Y116 HydrophobicContact CD2-CE1 3.62Å; L110-Y116 HydrophobicContact CD2-CE2 4.16Å; L110-Y116 HydrophobicContact CD2-CG 4.07Å; K111-Y116 PolarHBondContact N-OH 3.01Å; Q114-Y116 HydrophobicContact CB-CE2 3.72Å; Q114-Y116 HydrophobicContact CG-CD2 4.49Å; Q114-Y116 HydrophobicContact CG-CE1 4.47Å; Q114-Y116 HydrophobicContact CG-CE2 3.83Å; Q114-Y116 VanDerWaalsContact O-CD2 3.24Å; Q114-Y116 WeakPolarHBondContact O-CD2 3.38Å; Q114-Y116 WeakPolarHBondContact O-CE2 3.13Å; Q114-Y116 PolarHBondContact OE1-OH 2.77Å; Q114-Y116 VanDerWaalsContact OE1-OH 3.07Å
117	V	96.5	Very high	92.6	Very high	51 Å²	51	69.7 Å²	69.7	31%	0.309	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	108	174.3	-176.8	0	0	0	0	107.8	I64 T65 N105	I64-V117 WeakPolarHBondContact O-CA 3.33Å; T65-V117 HydrophobicContact CG2-CG2 4.15Å; N105-V117 WeakPolarHBondContact CB-O 3.22Å; N105-V117 PolarHBondContact ND2-O 2.87Å
118	Y	96.6	Very high	92.2	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	137.1	168.1	171.7	-97.8	0	0	0	109.3	S63 I64 A77 A100 L106 Q120 W137 L139	S63-Y118 CarbonylContact C-O 3.47Å; S63-Y118 WeakPolarHBondContact CA-O 3.09Å; I64-Y118 HydrophobicContact CD1-CD1 4.24Å; I64-Y118 HydrophobicContact CG1-CD1 4.44Å; I64-Y118 PolarHBondContact N-O 2.95Å; I64-Y118 PolarHBondContact O-N 2.81Å; A77-Y118 HydrophobicContact CB-CE2 4.46Å; A77-Y118 WeakPolarHBondContact CB-OH 3.2Å; A100-Y118 HydrophobicContact CB-CD2 4.18Å; A100-Y118 HydrophobicContact CB-CE2 3.7Å; L106-Y118 HydrophobicContact CD1-CD2 3.75Å; L106-Y118 HydrophobicContact CD1-CG 4.39Å; L106-Y118 HydrophobicContact CG-CD2 4.15Å; Y118-Q120 HydrophobicContact CE1-CB 3.79Å; Y118-Q120 WeakPolarHBondContact OH-CB 3.47Å; Y118-W137 AromaticContact CE1-CE2 3.75Å; Y118-W137 AromaticContact CE1-CZ2 3.81Å; Y118-W137 HydrophobicContact CE1-CZ2 3.81Å; Y118-W137 AromaticContact CE1-NE1 3.31Å; Y118-W137 VanDerWaalsContact CE1-NE1 3.31Å; Y118-W137 AromaticContact CZ-NE1 3.79Å; Y118-W137 WeakPolarHBondContact OH-CZ2 3.12Å; Y118-L139 HydrophobicContact CD1-CD2 4.45Å; Y118-L139 HydrophobicContact CD2-CD1 4.26Å; Y118-L139 HydrophobicContact CD2-CD2 4.12Å; Y118-L139 HydrophobicContact CE1-CD2 4.24Å; Y118-L139 HydrophobicContact CE2-CD2 3.85Å; Y118-L139 HydrophobicContact CG-CD1 4.16Å; Y118-L139 HydrophobicContact CG-CD2 4.38Å
119	R	95.3	Very high	91.8	Very high	132 Å²	132	68.2 Å²	68.2	50%	0.498	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	132.2	178.4	-173.5	174	-179.2	163.3	4.3	110.4	T61 I62 S104 N105	T61-R119 HydrophobicContact CG2-CG 3.65Å; I62-R119 CarbonylContact O-C 3.58Å; I62-R119 WeakPolarHBondContact O-CA 3.25Å; S104-R119 CarbonylContact C-O 3.57Å; S104-R119 WeakPolarHBondContact CA-O 3.48Å; S104-R119 WeakPolarHBondContact CB-O 3.4Å; S104-R119 PolarHBondContact O-N 3.32Å; N105-R119 HydrophobicContact CB-CB 4.11Å
120	Q	93.7	Very high	91.2	Very high	19 Å²	19	70.8 Å²	70.8	9%	0.089	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	136	175.4	-174.8	68	-24.6	0	0	112.1	T61 I62 L95 Y118 W137	T61-Q120 CarbonylContact C-O 3.45Å; T61-Q120 WeakPolarHBondContact CA-O 3.37Å; I62-Q120 HydrophobicContact CG2-CB 4.19Å; I62-Q120 PolarHBondContact N-O 3.36Å; I62-Q120 PolarHBondContact O-N 3.45Å; L95-Q120 HydrophobicContact CD1-CG 4.42Å; L95-Q120 HydrophobicContact CD2-CG 4.17Å; Y118-Q120 HydrophobicContact CE1-CB 3.79Å; Y118-Q120 WeakPolarHBondContact OH-CB 3.47Å; Q120-W137 HydrophobicContact CB-CH2 3.96Å; Q120-W137 HydrophobicContact CB-CZ2 3.67Å; Q120-W137 HydrophobicContact CG-CH2 3.82Å; Q120-W137 HydrophobicContact CG-CZ2 3.75Å
121	T	91	Very high	90.7	Very high	57 Å²	57	72.3 Å²	72.3	35%	0.35	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	132.8	177.7	-59.3	0	0	0	0	110.9	N59 A60 T61	N59-T121 HydrophobicContact CB-CG2 3.75Å; A60-T121 CarbonylContact O-C 3.51Å; A60-T121 WeakPolarHBondContact O-CA 3.43Å; T61-T121 WeakPolarHBondContact CG2-OG1 3.41Å; T61-T121 PolarHBondContact OG1-OG1 2.93Å
122	L	88.1	Confident	90.3	Very high	14 Å²	14	67.8 Å²	67.8	7%	0.073	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	117.9	-177.4	-164.6	72.9	0	0	0	109.9	N59 A60 F93 L95 I124	N59-L122 WeakPolarHBondContact CA-O 3.48Å; A60-L122 PolarHBondContact N-O 2.84Å; A60-L122 PolarHBondContact O-N 3.1Å; F93-L122 HydrophobicContact CD1-CD1 3.51Å; F93-L122 HydrophobicContact CD2-CD1 4.39Å; F93-L122 HydrophobicContact CE1-CD1 3.03Å; F93-L122 HydrophobicContact CE1-CG 4.07Å; F93-L122 HydrophobicContact CE2-CD1 3.93Å; F93-L122 HydrophobicContact CE2-CD2 4.2Å; F93-L122 HydrophobicContact CE2-CG 4.17Å; F93-L122 HydrophobicContact CG-CD1 4.2Å; F93-L122 HydrophobicContact CZ-CD1 3.25Å; F93-L122 HydrophobicContact CZ-CD2 4.29Å; F93-L122 HydrophobicContact CZ-CG 3.78Å; L95-L122 HydrophobicContact CD2-CD1 3.78Å; L122-I124 HydrophobicContact CB-CD1 4.48Å; L122-I124 HydrophobicContact CD2-CD1 3.88Å; L122-I124 HydrophobicContact CG-CD1 4.23Å; L122-I124 PolarHBondContact O-N 2.83Å
123	P	87.8	Confident	89.9	Confident	49 Å²	49	61.3 Å²	61.3	32%	0.318	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	119	170.8	29.3	-32	0	0	0	109.8	N59 K125	N59-P123 WeakPolarHBondContact OD1-CA 3.33Å; P123-K125 PolarHBondContact O-N 2.74Å
124	I	88.7	Confident	89.7	Confident	5 Å²	5	61.3 Å²	61.3	3%	0.026	31%	0.308	C	S	.	.			trans	-84.6	91.9	176.3	-49.5	-55.9	0	0	0	107.2	L54 V55 R56 G57 E58 A60 L122 Y128 I162	L54-I124 HydrophobicContact CB-CD1 4.18Å; L54-I124 HydrophobicContact CB-CG1 4.14Å; L54-I124 HydrophobicContact CB-CG2 4.3Å; L54-I124 HydrophobicContact CD1-CD1 4.02Å; L54-I124 HydrophobicContact CG-CD1 4.5Å; V55-I124 VanDerWaalsContact O-CB 3.29Å; V55-I124 WeakPolarHBondContact O-CB 3.4Å; V55-I124 WeakPolarHBondContact O-CG2 3.41Å; R56-I124 CarbonylContact C-O 3.55Å; R56-I124 HydrophobicContact CG-CG2 4.49Å; G57-I124 PolarHBondContact N-O 2.9Å; E58-I124 WeakPolarHBondContact O-CB 3.17Å; E58-I124 PolarHBondContact O-N 3.38Å; A60-I124 HydrophobicContact CB-CD1 4.12Å; A60-I124 HydrophobicContact CB-CG1 4.15Å; L122-I124 HydrophobicContact CB-CD1 4.48Å; L122-I124 HydrophobicContact CD2-CD1 3.88Å; L122-I124 HydrophobicContact CG-CD1 4.23Å; L122-I124 PolarHBondContact O-N 2.83Å; I124-Y128 HydrophobicContact CG2-CD2 4.18Å; I124-I162 HydrophobicContact CG2-CG2 4.35Å
125	K	85.3	Confident	89.6	Confident	109 Å²	109	57.9 Å²	57.9	47%	0.474	29%	0.293	S	S	.	.			trans	-61.1	142.2	-170.4	-63.7	-173.6	-179.2	-175.5	0	111.9	P123 I127 Y128	P123-K125 PolarHBondContact O-N 2.74Å; K125-I127 HydrophobicContact CB-CG2 4.02Å; K125-I127 PolarHBondContact O-N 2.02Å; K125-Y128 HydrophobicContact CB-CD1 4.07Å; K125-Y128 HydrophobicContact CB-CD2 4.08Å; K125-Y128 HydrophobicContact CB-CE1 3.83Å; K125-Y128 HydrophobicContact CB-CE2 3.81Å; K125-Y128 HydrophobicContact CB-CG 4.2Å; K125-Y128 HydrophobicContact CD-CE1 4.07Å; K125-Y128 HydrophobicContact CG-CE1 4.14Å; K125-Y128 HydrophobicContact CG-CE2 3.99Å; K125-Y128 WeakPolarHBondContact O-CB 3.18Å; K125-Y128 PolarHBondContact O-N 3.33Å
126	P	79.7	Confident	89.4	Confident	88 Å²	88	54.4 Å²	54.4	57%	0.571	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-15.1	172.1	-27.2	34.7	0	0	0	115	R56	R56-P126 PolarHBondContact NE-O 3.21Å; R56-P126 PolarHBondContact NH2-O 3.01Å
127	I	83.7	Confident	89.4	Confident	141 Å²	141	53.4 Å²	53.4	72%	0.723	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-10	176.5	-165.7	161.4	0	0	0	113.6	K125	K125-I127 HydrophobicContact CB-CG2 4.02Å; K125-I127 PolarHBondContact O-N 2.02Å
128	Y	85.6	Confident	89.3	Confident	51 Å²	51	51.4 Å²	51.4	20%	0.2	26%	0.259	C	S	.	.	S	Bend	trans	-69.8	137.8	-177.3	-63.2	-19.5	0	0	0	111.8	R56 F93 I124 K125	R56-Y128 WeakPolarHBondContact CD-O 3.11Å; R56-Y128 PolarHBondContact NE-O 2.8Å; F93-Y128 AromaticContact CE2-CE2 3.72Å; F93-Y128 HydrophobicContact CE2-CE2 3.72Å; F93-Y128 AromaticContact CE2-CZ 3.67Å; F93-Y128 WeakPolarHBondContact CE2-OH 3.19Å; F93-Y128 HydrophobicContact CZ-CE2 4.47Å; F93-Y128 WeakPolarHBondContact CZ-OH 3.46Å; I124-Y128 HydrophobicContact CG2-CD2 4.18Å; K125-Y128 HydrophobicContact CB-CD1 4.07Å; K125-Y128 HydrophobicContact CB-CD2 4.08Å; K125-Y128 HydrophobicContact CB-CE1 3.83Å; K125-Y128 HydrophobicContact CB-CE2 3.81Å; K125-Y128 HydrophobicContact CB-CG 4.2Å; K125-Y128 HydrophobicContact CD-CE1 4.07Å; K125-Y128 HydrophobicContact CG-CE1 4.14Å; K125-Y128 HydrophobicContact CG-CE2 3.99Å; K125-Y128 WeakPolarHBondContact O-CB 3.18Å; K125-Y128 PolarHBondContact O-N 3.33Å
129	P	84.5	Confident	89.2	Confident	67 Å²	67	51.4 Å²	51.4	44%	0.435	26%	0.259	S	S	.	.			trans	-71.2	150.8	-176.6	30.5	-36.1	0	0	0	111.3	I131 I162	P129-I131 HydrophobicContact CB-CG2 4.15Å; P129-I131 HydrophobicContact CG-CD1 3.99Å; P129-I131 HydrophobicContact CG-CG1 4.22Å; P129-I131 HydrophobicContact CG-CG2 4.31Å; P129-I131 PolarHBondContact O-N 3.14Å; P129-I131 VanDerWaalsContact O-N 3.07Å; P129-I162 WeakPolarHBondContact O-CB 3.38Å; P129-I162 WeakPolarHBondContact O-CG2 3.37Å
130	K	82.3	Confident	89.2	Confident	122 Å²	122	45.5 Å²	45.5	53%	0.53	24%	0.238	S	C	.	.	S	Bend	trans	-71.9	95.6	171.3	-71	-174.2	-81.8	-159.1	0	110.4	I162 D164	K130-I162 VanDerWaalsContact CA-O 3.31Å; K130-I162 WeakPolarHBondContact CA-O 3.28Å; K130-D164 WeakPolarHBondContact CD-OD2 3.5Å; K130-D164 WeakPolarHBondContact CE-OD2 3.35Å; K130-D164 IonicContact NZ-OD2 3.67Å; K130-D164 PolarHBondContact NZ-OD2 2.95Å
131	I	85.6	Confident	89	Confident	33 Å²	33	45.8 Å²	45.8	17%	0.169	24%	0.239	C	C	.	.			trans	-143	153.6	-176.9	59.7	173	0	0	0	111.6	I88 P129 L133 K161 I162	I88-I131 HydrophobicContact CD1-CD1 3.96Å; P129-I131 HydrophobicContact CB-CG2 4.15Å; P129-I131 HydrophobicContact CG-CD1 3.99Å; P129-I131 HydrophobicContact CG-CG1 4.22Å; P129-I131 HydrophobicContact CG-CG2 4.31Å; P129-I131 PolarHBondContact O-N 3.14Å; P129-I131 VanDerWaalsContact O-N 3.07Å; I131-L133 HydrophobicContact CG1-CD2 4.23Å; I131-K161 WeakPolarHBondContact O-CA 3.12Å; I131-I162 PolarHBondContact N-O 3.41Å; I131-I162 PolarHBondContact O-N 3.49Å
132	V	86.5	Confident	88.7	Confident	36 Å²	36	45.6 Å²	45.6	22%	0.218	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	130.9	163.5	-178.7	0	0	0	0	108.6	T51 S83 R159 A160 K161	T51-V132 HydrophobicContact CG2-CG1 4.48Å; S83-V132 PolarHBondContact OG-O 2.94Å; V132-R159 HydrophobicContact CG1-CG 4.49Å; V132-A160 WeakPolarHBondContact CA-O 3.34Å; V132-K161 HydrophobicContact CG2-CB 4.15Å; V132-K161 HydrophobicContact CG2-CD 4.06Å; V132-K161 HydrophobicContact CG2-CG 3.88Å
133	L	89.7	Confident	88.1	Confident	20 Å²	20	49 Å²	49	11%	0.105	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	155.7	-179.7	68.5	159.2	0	0	0	111.5	I82 I131 I135 A160 I162	I82-L133 CarbonylContact O-C 3.58Å; I82-L133 WeakPolarHBondContact O-CA 3.16Å; I131-L133 HydrophobicContact CG1-CD2 4.23Å; L133-I135 HydrophobicContact CD1-CG1 4.02Å; L133-I135 HydrophobicContact CG-CG1 4.19Å; L133-A160 HydrophobicContact CD2-CB 4.48Å; L133-A160 PolarHBondContact N-O 3.15Å; L133-A160 PolarHBondContact O-N 3.25Å; L133-I162 HydrophobicContact CD2-CD1 3.88Å; L133-I162 HydrophobicContact CD2-CG1 3.74Å
134	L	91.9	Very high	87.4	Confident	57 Å²	57	49.9 Å²	49.9	30%	0.298	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	119.4	167.4	-60.9	178.7	0	0	0	108.1	I82 I157 R159	I82-L134 HydrophobicContact CB-CB 4.29Å; I82-L134 PolarHBondContact N-O 3.29Å; I82-L134 PolarHBondContact O-N 2.92Å; L134-I157 HydrophobicContact CB-CG2 3.8Å; L134-I157 HydrophobicContact CD1-CG2 4.44Å; L134-I157 HydrophobicContact CD2-CG2 4.24Å; L134-I157 HydrophobicContact CG-CG2 4.38Å; L134-R159 HydrophobicContact CD2-CB 3.94Å; L134-R159 HydrophobicContact CD2-CG 3.91Å
135	I	93.4	Very high	86.4	Confident	22 Å²	22	57.9 Å²	57.9	11%	0.113	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	106.2	177.1	-59	176	0	0	0	107.4	L54 V79 H80 L133 W137 I157 V158 A160	L54-I135 HydrophobicContact CD1-CD1 3.49Å; L54-I135 VanDerWaalsContact CD1-CD1 3.49Å; V79-I135 HydrophobicContact CG1-CG2 3.97Å; H80-I135 WeakPolarHBondContact O-CA 3.09Å; L133-I135 HydrophobicContact CD1-CG1 4.02Å; L133-I135 HydrophobicContact CG-CG1 4.19Å; I135-W137 HydrophobicContact CG2-CE3 4.35Å; I135-I157 VanDerWaalsContact O-CA 3.31Å; I135-I157 WeakPolarHBondContact O-CA 3.12Å; I135-V158 PolarHBondContact N-O 3.36Å; I135-V158 PolarHBondContact O-N 3.18Å; I135-A160 HydrophobicContact CD1-CB 3.58Å; I135-A160 HydrophobicContact CG1-CB 4.14Å
136	K	94.6	Very high	85.5	Confident	41 Å²	41	60.2 Å²	60.2	18%	0.178	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	117.3	172.4	-171.3	-175.3	-173.7	-149.1	0	108.9	V79 H80 I82 E138 C155 V156 I157	V79-K136 WeakPolarHBondContact CA-O 3.35Å; H80-K136 HydrophobicContact CB-CB 4.41Å; H80-K136 PolarHBondContact N-O 2.87Å; H80-K136 PolarHBondContact O-N 2.78Å; I82-K136 HydrophobicContact CD1-CB 4.2Å; K136-E138 HydrophobicContact CD-CG 4.35Å; K136-E138 WeakPolarHBondContact CD-OE2 3.47Å; K136-E138 WeakPolarHBondContact CE-OE1 3.48Å; K136-E138 VanDerWaalsContact CE-OE2 3.24Å; K136-E138 WeakPolarHBondContact CE-OE2 3.18Å; K136-E138 HydrophobicContact CG-CG 4.17Å; K136-E138 IonicContact NZ-OE1 3.03Å; K136-E138 PolarHBondContact NZ-OE1 3.23Å; K136-E138 IonicContact NZ-OE2 2.68Å; K136-E138 PolarHBondContact NZ-OE2 2.91Å; K136-C155 WeakPolarHBondContact CE-SG 3.39Å; K136-V156 WeakPolarHBondContact CA-O 3.34Å; K136-I157 HydrophobicContact CB-CG1 4.16Å; K136-I157 HydrophobicContact CG-CG1 3.98Å
137	W	95.9	Very high	84.8	Confident	7 Å²	7	58.6 Å²	58.6	3%	0.027	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	122.4	179	-159.6	-68.6	0	0	0	110.1	I62 I64 V79 L95 Y118 Q120 I135 C155 V156	I62-W137 HydrophobicContact CD1-CB 4.48Å; I62-W137 HydrophobicContact CD1-CD2 4.09Å; I62-W137 HydrophobicContact CD1-CE3 4.01Å; I62-W137 HydrophobicContact CD1-CG 4.3Å; I62-W137 HydrophobicContact CG2-CD2 4.07Å; I62-W137 HydrophobicContact CG2-CE3 3.91Å; I62-W137 HydrophobicContact CG2-CH2 3.48Å; I62-W137 VanDerWaalsContact CG2-CH2 3.48Å; I62-W137 HydrophobicContact CG2-CZ2 3.66Å; I62-W137 HydrophobicContact CG2-CZ3 3.62Å; I64-W137 HydrophobicContact CD1-CG 4.34Å; V79-W137 HydrophobicContact CB-CE3 4.34Å; V79-W137 HydrophobicContact CB-CZ3 4.48Å; V79-W137 HydrophobicContact CG1-CE3 3.85Å; V79-W137 HydrophobicContact CG1-CZ3 4.02Å; V79-W137 HydrophobicContact CG2-CD2 3.58Å; V79-W137 HydrophobicContact CG2-CE3 3.51Å; V79-W137 HydrophobicContact CG2-CG 4.28Å; V79-W137 HydrophobicContact CG2-CH2 3.7Å; V79-W137 HydrophobicContact CG2-CZ2 3.74Å; V79-W137 HydrophobicContact CG2-CZ3 3.58Å; L95-W137 HydrophobicContact CD1-CH2 4.48Å; L95-W137 HydrophobicContact CD1-CZ2 4.1Å; L95-W137 HydrophobicContact CD2-CH2 4Å; L95-W137 HydrophobicContact CD2-CZ2 4.42Å; Y118-W137 AromaticContact CE1-CE2 3.75Å; Y118-W137 AromaticContact CE1-CZ2 3.81Å; Y118-W137 HydrophobicContact CE1-CZ2 3.81Å; Y118-W137 AromaticContact CE1-NE1 3.31Å; Y118-W137 VanDerWaalsContact CE1-NE1 3.31Å; Y118-W137 AromaticContact CZ-NE1 3.79Å; Y118-W137 WeakPolarHBondContact OH-CZ2 3.12Å; Q120-W137 HydrophobicContact CB-CH2 3.96Å; Q120-W137 HydrophobicContact CB-CZ2 3.67Å; Q120-W137 HydrophobicContact CG-CH2 3.82Å; Q120-W137 HydrophobicContact CG-CZ2 3.75Å; I135-W137 HydrophobicContact CG2-CE3 4.35Å; W137-C155 WeakPolarHBondContact O-CA 3.46Å; W137-V156 HydrophobicContact CB-CG2 3.75Å; W137-V156 PolarHBondContact N-O 2.84Å; W137-V156 PolarHBondContact O-N 2.74Å
138	E	95.3	Very high	83.8	Confident	9 Å²	9	57.8 Å²	57.8	4%	0.042	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	133.7	-175.6	-61.4	175.9	94.7	0	0	109.6	A77 V78 H80 K136 V140 V154	A77-E138 CarbonylContact C-O 3.59Å; A77-E138 WeakPolarHBondContact CA-O 3.49Å; V78-E138 HydrophobicContact CB-CB 4.39Å; V78-E138 PolarHBondContact N-O 2.82Å; V78-E138 PolarHBondContact O-N 3.06Å; H80-E138 IonicContact ND1-OE2 3.71Å; K136-E138 HydrophobicContact CD-CG 4.35Å; K136-E138 WeakPolarHBondContact CD-OE2 3.47Å; K136-E138 WeakPolarHBondContact CE-OE1 3.48Å; K136-E138 VanDerWaalsContact CE-OE2 3.24Å; K136-E138 WeakPolarHBondContact CE-OE2 3.18Å; K136-E138 HydrophobicContact CG-CG 4.17Å; K136-E138 IonicContact NZ-OE1 3.03Å; K136-E138 PolarHBondContact NZ-OE1 3.23Å; K136-E138 IonicContact NZ-OE2 2.68Å; K136-E138 PolarHBondContact NZ-OE2 2.91Å; E138-V140 HydrophobicContact CB-CG2 4.23Å; E138-V154 CarbonylContact C-O 3.41Å; E138-V154 VanDerWaalsContact CA-O 3.28Å; E138-V154 WeakPolarHBondContact CA-O 3.22Å
139	L	95.7	Very high	82.6	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	119.2	160.6	-56.9	-177.1	0	0	0	107.6	F66 L75 T76 A77 A100 Y118 P153 V154	F66-L139 HydrophobicContact CE1-CD1 4.01Å; F66-L139 HydrophobicContact CZ-CD1 4.11Å; L75-L139 HydrophobicContact CD2-CB 4.42Å; T76-L139 CarbonylContact O-C 3.58Å; T76-L139 VanDerWaalsContact O-CA 3.3Å; T76-L139 WeakPolarHBondContact O-CA 3.24Å; A77-L139 HydrophobicContact CB-CD2 3.85Å; A100-L139 HydrophobicContact CB-CD2 3.99Å; Y118-L139 HydrophobicContact CD1-CD2 4.45Å; Y118-L139 HydrophobicContact CD2-CD1 4.26Å; Y118-L139 HydrophobicContact CD2-CD2 4.12Å; Y118-L139 HydrophobicContact CE1-CD2 4.24Å; Y118-L139 HydrophobicContact CE2-CD2 3.85Å; Y118-L139 HydrophobicContact CG-CD1 4.16Å; Y118-L139 HydrophobicContact CG-CD2 4.38Å; L139-P153 WeakPolarHBondContact O-CD 3.12Å; L139-V154 HydrophobicContact CB-CB 3.93Å; L139-V154 HydrophobicContact CB-CG2 4.46Å; L139-V154 HydrophobicContact CD1-CB 3.99Å; L139-V154 HydrophobicContact CD1-CG1 4.5Å; L139-V154 HydrophobicContact CD1-CG2 3.96Å; L139-V154 HydrophobicContact CG-CB 3.92Å; L139-V154 HydrophobicContact CG-CG1 4.42Å; L139-V154 HydrophobicContact CG-CG2 4.42Å; L139-V154 PolarHBondContact N-O 2.9Å; L139-V154 PolarHBondContact O-N 2.82Å
140	V	93.5	Very high	81.6	Confident	9 Å²	9	68.2 Å²	68.2	6%	0.055	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	133.4	-173.7	-177.2	0	0	0	0	109.5	L75 T76 V78 E138 A147	L75-V140 CarbonylContact C-O 3.49Å; L75-V140 WeakPolarHBondContact CA-O 3.13Å; T76-V140 PolarHBondContact N-O 3.32Å; T76-V140 PolarHBondContact O-N 3.25Å; V78-V140 HydrophobicContact CG2-CG2 4.03Å; E138-V140 HydrophobicContact CB-CG2 4.23Å; V140-A147 HydrophobicContact CG1-CB 4.09Å
141	E	91.4	Very high	81.4	Confident	25 Å²	25	67.7 Å²	67.7	12%	0.117	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	133.1	172.3	-179.6	-179.3	-160	0	0	109.9	K70 V72 L75 K148 P153	K70-E141 VanDerWaalsContact CE-OE2 3.24Å; K70-E141 WeakPolarHBondContact CE-OE2 3.49Å; K70-E141 IonicContact NZ-OE2 3.23Å; K70-E141 PolarHBondContact NZ-OE2 2.83Å; V72-E141 HydrophobicContact CG2-CB 4.4Å; V72-E141 HydrophobicContact CG2-CG 4Å; V72-E141 VanDerWaalsContact CG2-OE1 3.32Å; V72-E141 WeakPolarHBondContact CG2-OE1 3.4Å; L75-E141 HydrophobicContact CD2-CB 4.36Å; E141-K148 PolarHBondContact O-N 3.23Å; E141-P153 HydrophobicContact CB-CG 3.81Å
142	H	83.7	Confident	81.7	Confident	52 Å²	52	66.4 Å²	66.4	24%	0.241	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	132.4	172.4	-67.9	-87.2	0	0	0	110.2	T76	T76-H142 VanDerWaalsContact CG2-CD2 3.48Å; T76-H142 WeakPolarHBondContact CG2-CD2 3.4Å; T76-H142 WeakPolarHBondContact CG2-NE2 3.2Å; T76-H142 PolarHBondContact OG1-CD2 2.84Å; T76-H142 PolarHBondContact OG1-NE2 2.76Å
143	I	74.7	Confident	82	Confident	86 Å²	86	64.7 Å²	64.7	44%	0.441	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	106.9	169.8	-56	-171.4	0	0	0	106.9	E146 K148	I143-E146 PolarHBondContact N-O 3.14Å; I143-E146 PolarHBondContact O-N 3.44Å; I143-K148 HydrophobicContact CD1-CD 3.65Å; I143-K148 HydrophobicContact CD1-CG 4.4Å; I143-K148 HydrophobicContact CG1-CD 4.32Å
144	G	73.2	Confident	82.4	Confident	67 Å²	67	63.8 Å²	63.8	69%	0.691	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.3	-139	-166	0	0	0	0	0	110.9	E146	G144-E146 VanDerWaalsContact C-N 3.32Å
145	D	69.3	Low	82.6	Confident	173 Å²	173	61.2 Å²	61.2	93%	0.925	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-6.5	176.1	-64.4	-37.7	0	0	0	113.1
146	E	66.5	Low	82.7	Confident	159 Å²	159	60.2 Å²	60.2	74%	0.743	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.2	129.5	-176.4	-65.7	-172.6	177.9	0	0	112.2	I143 G144	I143-E146 PolarHBondContact N-O 3.14Å; I143-E146 PolarHBondContact O-N 3.44Å; G144-E146 VanDerWaalsContact C-N 3.32Å
147	A	64	Low	82.7	Confident	53 Å²	53	59.8 Å²	59.8	44%	0.438	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	120.8	171.1	0	0	0	0	0	110	V140 K149	V140-A147 HydrophobicContact CG1-CB 4.09Å; A147-K149 PolarHBondContact O-N 3.37Å
148	K	62.3	Low	82.5	Confident	124 Å²	124	59.8 Å²	59.8	54%	0.539	32%	0.316	S	S	.	.			trans	-77	90.7	166.5	-80.9	-168.1	172.2	177.3	0	109.1	E141 I143	E141-K148 PolarHBondContact O-N 3.23Å; I143-K148 HydrophobicContact CD1-CD 3.65Å; I143-K148 HydrophobicContact CD1-CG 4.4Å; I143-K148 HydrophobicContact CG1-CD 4.32Å
149	K	60.7	Low	82.3	Confident	145 Å²	145	66 Å²	66	63%	0.63	34%	0.339	S	S	*	.			trans	-82.1	-27.8	-172.1	-164	173.9	-176.6	176	0	114.4	A147 D151	A147-K149 PolarHBondContact O-N 3.37Å; K149-D151 VanDerWaalsContact C-N 3.32Å; K149-D151 PolarHBondContact O-N 2.53Å
150	E	63.9	Low	82	Confident	193 Å²	193	66 Å²	66	90%	0.902	34%	0.339	S	S	*	.	S	Bend	trans	-68	-30.6	-173.3	-83.2	-174.4	150.3	0	0	113.6
151	D	78.5	Confident	81.6	Confident	110 Å²	110	70.5 Å²	70.5	59%	0.588	36%	0.358	S	S	*	.	S	Bend	trans	-123.5	90.9	176.2	-58.3	-43.6	0	0	0	109.7	I34 K149 P153	I34-D151 HydrophobicContact CD1-CB 3.46Å; I34-D151 VanDerWaalsContact CD1-CB 3.46Å; I34-D151 WeakPolarHBondContact CD1-O 3.5Å; I34-D151 HydrophobicContact CG1-CB 3.73Å; K149-D151 VanDerWaalsContact C-N 3.32Å; K149-D151 PolarHBondContact O-N 2.53Å; D151-P153 WeakPolarHBondContact O-CD 3.33Å
152	S	90.2	Very high	81.4	Confident	7 Å²	7	69.9 Å²	69.9	5%	0.049	36%	0.356	C	S	.	.			trans	-73.4	126.6	174.8	-68.7	0	0	0	0	110	I34 V154	I34-S152 PolarHBondContact N-O 3.11Å; S152-V154 PolarHBondContact O-N 2.89Å; S152-V154 VanDerWaalsContact O-N 3.14Å
153	P	94.6	Very high	81	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	35%	0.35	C	S	.	.	S	Bend	trans	-42.9	-45.2	170.8	-33	31.4	0	0	0	114	I34 F35 L75 L139 E141 D151	I34-P153 PolarHBondContact N-O 2.81Å; F35-P153 WeakPolarHBondContact CB-O 3.35Å; F35-P153 HydrophobicContact CD1-CB 4.46Å; F35-P153 HydrophobicContact CD2-CB 3.81Å; F35-P153 HydrophobicContact CE1-CB 4.31Å; F35-P153 HydrophobicContact CE2-CB 3.66Å; F35-P153 HydrophobicContact CG-CB 4.24Å; F35-P153 WeakPolarHBondContact CG-O 3.5Å; F35-P153 HydrophobicContact CZ-CB 3.93Å; F35-P153 PolarHBondContact N-O 2.03Å; L75-P153 HydrophobicContact CD2-CB 4.17Å; L75-P153 HydrophobicContact CD2-CG 3.87Å; L139-P153 WeakPolarHBondContact O-CD 3.12Å; E141-P153 HydrophobicContact CB-CG 3.81Å; D151-P153 WeakPolarHBondContact O-CD 3.33Å
154	V	96.6	Very high	80.7	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	133.9	174.7	175.5	0	0	0	0	109	F35 I37 I64 F66 E138 L139 S152 V156	F35-V154 HydrophobicContact CB-CG2 4.35Å; F35-V154 HydrophobicContact CD2-CG2 4.21Å; I37-V154 HydrophobicContact CD1-CG1 4.06Å; I64-V154 HydrophobicContact CD1-CG1 4.22Å; I64-V154 HydrophobicContact CG2-CG1 4.02Å; F66-V154 HydrophobicContact CB-CG2 4.44Å; F66-V154 HydrophobicContact CD1-CG2 4.01Å; F66-V154 HydrophobicContact CD2-CG2 4.11Å; F66-V154 HydrophobicContact CE1-CG2 4.28Å; F66-V154 HydrophobicContact CE2-CG2 4.36Å; F66-V154 HydrophobicContact CG-CG2 3.92Å; F66-V154 HydrophobicContact CZ-CG2 4.44Å; E138-V154 CarbonylContact C-O 3.41Å; E138-V154 VanDerWaalsContact CA-O 3.28Å; E138-V154 WeakPolarHBondContact CA-O 3.22Å; L139-V154 HydrophobicContact CB-CB 3.93Å; L139-V154 HydrophobicContact CB-CG2 4.46Å; L139-V154 HydrophobicContact CD1-CB 3.99Å; L139-V154 HydrophobicContact CD1-CG1 4.5Å; L139-V154 HydrophobicContact CD1-CG2 3.96Å; L139-V154 HydrophobicContact CG-CB 3.92Å; L139-V154 HydrophobicContact CG-CG1 4.42Å; L139-V154 HydrophobicContact CG-CG2 4.42Å; L139-V154 PolarHBondContact N-O 2.9Å; L139-V154 PolarHBondContact O-N 2.82Å; S152-V154 PolarHBondContact O-N 2.89Å; S152-V154 VanDerWaalsContact O-N 3.14Å; V154-V156 HydrophobicContact CG1-CG1 4.46Å
155	C	96.6	Very high	80.2	Confident	4 Å²	4	66.4 Å²	66.4	3%	0.027	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	112	175.9	-168.6	0	0	0	0	109.1	N30 C31 S33 K136 W137	N30-C155 PolarHBondContact OD1-O 2.83Å; C31-C155 HydrophobicContact CB-CB 4.09Å; C31-C155 WeakPolarHBondContact CB-SG 3.33Å; C31-C155 PolarHBondContact N-O 2.83Å; C31-C155 PolarHBondContact O-SG 2.84Å; C31-C155 VanDerWaalsContact SG-CA 3.59Å; C31-C155 WeakPolarHBondContact SG-CB 3.11Å; C31-C155 PolarHBondContact SG-O 3.41Å; C31-C155 CovalentContact SG-SG 2.03Å; C31-C155 PolarHBondContact SG-SG 2.79Å; S33-C155 PolarHBondContact OG-N 2.92Å; S33-C155 PolarHBondContact OG-O 3.27Å; S33-C155 VanDerWaalsContact OG-O 3.08Å; K136-C155 WeakPolarHBondContact CE-SG 3.39Å; W137-C155 WeakPolarHBondContact O-CA 3.46Å
156	V	96	Very high	79.4	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	145.3	176	-61	0	0	0	0	111.2	Y28 N29 I37 V40 I64 K136 W137 V154	Y28-V156 HydrophobicContact CD2-CB 4.34Å; Y28-V156 HydrophobicContact CD2-CG1 3.95Å; Y28-V156 HydrophobicContact CE2-CG1 4.31Å; N29-V156 CarbonylContact O-C 3.51Å; N29-V156 WeakPolarHBondContact O-CA 3.47Å; I37-V156 HydrophobicContact CD1-CG1 3.24Å; V40-V156 HydrophobicContact CG2-CB 4.41Å; V40-V156 HydrophobicContact CG2-CG1 3.82Å; I64-V156 HydrophobicContact CD1-CG2 3.75Å; K136-V156 WeakPolarHBondContact CA-O 3.34Å; W137-V156 HydrophobicContact CB-CG2 3.75Å; W137-V156 PolarHBondContact N-O 2.84Å; W137-V156 PolarHBondContact O-N 2.74Å; V154-V156 HydrophobicContact CG1-CG1 4.46Å
157	I	94.2	Very high	78.4	Confident	33 Å²	33	55.5 Å²	55.5	17%	0.169	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	121.2	171.9	-60.7	170.3	0	0	0	108.4	Y28 N29 C31 L134 I135 K136	Y28-I157 WeakPolarHBondContact CA-O 3.27Å; N29-I157 HydrophobicContact CB-CB 4.23Å; N29-I157 PolarHBondContact N-O 3.32Å; N29-I157 PolarHBondContact O-N 2.94Å; C31-I157 HydrophobicContact CB-CD1 3.96Å; C31-I157 HydrophobicContact CB-CG1 4.27Å; L134-I157 HydrophobicContact CB-CG2 3.8Å; L134-I157 HydrophobicContact CD1-CG2 4.44Å; L134-I157 HydrophobicContact CD2-CG2 4.24Å; L134-I157 HydrophobicContact CG-CG2 4.38Å; I135-I157 VanDerWaalsContact O-CA 3.31Å; I135-I157 WeakPolarHBondContact O-CA 3.12Å; K136-I157 HydrophobicContact CB-CG1 4.16Å; K136-I157 HydrophobicContact CG-CG1 3.98Å
158	V	92.6	Very high	77.6	Confident	6 Å²	6	56.3 Å²	56.3	4%	0.036	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	133.1	176.6	175.8	0	0	0	0	109.1	I26 V40 C52 I135	I26-V158 HydrophobicContact CD1-CB 4.4Å; I26-V158 HydrophobicContact CD1-CG1 3.53Å; I26-V158 HydrophobicContact CD1-CG2 3.93Å; V40-V158 HydrophobicContact CG1-CG2 4.19Å; C52-V158 HydrophobicContact CB-CG1 4.36Å; I135-V158 PolarHBondContact N-O 3.36Å; I135-V158 PolarHBondContact O-N 3.18Å
159	R	89.6	Confident	76.6	Confident	139 Å²	139	52.2 Å²	52.2	53%	0.525	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	122.6	172.1	-167.5	176.7	-170	-119.7	6.6	109.2	T51 C52 V132 L134	T51-R159 HydrophobicContact CG2-CG 4.07Å; T51-R159 PolarHBondContact OG1-NH1 2.87Å; C52-R159 PolarHBondContact N-O 3.25Å; V132-R159 HydrophobicContact CG1-CG 4.49Å; L134-R159 HydrophobicContact CD2-CB 3.94Å; L134-R159 HydrophobicContact CD2-CG 3.91Å
160	A	90	Very high	75.8	Confident	1 Å²	1	48.2 Å²	48.2	1%	0.008	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	157.4	-179	0	0	0	0	0	111.9	C52 L54 V132 L133 I135	C52-A160 HydrophobicContact CB-CB 4.38Å; C52-A160 CarbonylContact O-C 3.55Å; C52-A160 WeakPolarHBondContact O-CA 3.32Å; C52-A160 WeakPolarHBondContact O-CB 3.33Å; L54-A160 HydrophobicContact CD1-CB 3.77Å; L54-A160 HydrophobicContact CG-CB 4.06Å; V132-A160 WeakPolarHBondContact CA-O 3.34Å; L133-A160 HydrophobicContact CD2-CB 4.48Å; L133-A160 PolarHBondContact N-O 3.15Å; L133-A160 PolarHBondContact O-N 3.25Å; I135-A160 HydrophobicContact CD1-CB 3.58Å; I135-A160 HydrophobicContact CG1-CB 4.14Å
161	K	85.4	Confident	74.8	Confident	103 Å²	103	39.3 Å²	39.3	45%	0.448	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	120.3	171.3	-176.2	178.1	-178.3	-179.7	0	107.9	T51 C52 P53 L54 I131 V132 I163	T51-K161 HydrophobicContact CG2-CB 3.64Å; C52-K161 PolarHBondContact O-N 2.96Å; P53-K161 CarbonylContact C-O 3.53Å; P53-K161 WeakPolarHBondContact CA-O 3.29Å; L54-K161 PolarHBondContact N-O 3.03Å; I131-K161 WeakPolarHBondContact O-CA 3.12Å; V132-K161 HydrophobicContact CG2-CB 4.15Å; V132-K161 HydrophobicContact CG2-CD 4.06Å; V132-K161 HydrophobicContact CG2-CG 3.88Å; K161-I163 HydrophobicContact CD-CG2 3.99Å; K161-I163 HydrophobicContact CG-CG2 3.85Å; K161-I163 PolarHBondContact O-N 2.85Å
162	I	86.4	Confident	72.9	Confident	13 Å²	13	34.6 Å²	34.6	7%	0.067	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	124.7	170.7	-63.5	172	0	0	0	107.3	L54 R56 I124 P129 K130 I131 L133	L54-I162 HydrophobicContact CB-CG1 4.38Å; L54-I162 WeakPolarHBondContact O-CA 3.47Å; R56-I162 HydrophobicContact CG-CG2 3.59Å; I124-I162 HydrophobicContact CG2-CG2 4.35Å; P129-I162 WeakPolarHBondContact O-CB 3.38Å; P129-I162 WeakPolarHBondContact O-CG2 3.37Å; K130-I162 VanDerWaalsContact CA-O 3.31Å; K130-I162 WeakPolarHBondContact CA-O 3.28Å; I131-I162 PolarHBondContact N-O 3.41Å; I131-I162 PolarHBondContact O-N 3.49Å; L133-I162 HydrophobicContact CD2-CD1 3.88Å; L133-I162 HydrophobicContact CD2-CG1 3.74Å
163	I	76.2	Confident	70.2	Confident	24 Å²	24	38 Å²	38	12%	0.123	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	156.2	178.6	60.9	169.9	0	0	0	109.4	P53 L54 V55 R56 K161 P249	P53-I163 HydrophobicContact CB-CD1 3.72Å; P53-I163 HydrophobicContact CB-CG1 4.25Å; L54-I163 PolarHBondContact O-N 2.91Å; V55-I163 HydrophobicContact CG2-CD1 4.16Å; V55-I163 HydrophobicContact CG2-CG1 4.17Å; R56-I163 WeakPolarHBondContact CG-O 3.46Å; R56-I163 PolarHBondContact N-O 3.26Å; K161-I163 HydrophobicContact CD-CG2 3.99Å; K161-I163 HydrophobicContact CG-CG2 3.85Å; K161-I163 PolarHBondContact O-N 2.85Å; I163-P249 HydrophobicContact CD1-CG 3.79Å
164	D	69	Low	67.1	Low	56 Å²	56	44 Å²	44	30%	0.299	22%	0.223	S	C	.	.			trans	-63.6	149.4	163.4	-68.5	-31.4	0	0	0	108.3	R56 K130 I166	R56-D164 VanDerWaalsContact CD-OD1 3.3Å; R56-D164 WeakPolarHBondContact CD-OD1 3.44Å; R56-D164 IonicContact CZ-OD1 3.55Å; R56-D164 IonicContact NE-OD1 2.73Å; R56-D164 IonicContact NH1-OD1 3.06Å; R56-D164 PolarHBondContact NH1-OD1 2.87Å; K130-D164 WeakPolarHBondContact CD-OD2 3.5Å; K130-D164 WeakPolarHBondContact CE-OD2 3.35Å; K130-D164 IonicContact NZ-OD2 3.67Å; K130-D164 PolarHBondContact NZ-OD2 2.95Å; D164-I166 PolarHBondContact O-N 2.85Å
165	P	61.7	Low	63.7	Low	51 Å²	51	54.1 Å²	54.1	33%	0.331	27%	0.267	S	S	.	.			trans	-51.3	134.5	158.2	21.4	-24.9	0	0	0	106	V55 R56 D167	V55-P165 HydrophobicContact CG1-CB 3.52Å; V55-P165 HydrophobicContact CG1-CG 4.28Å; R56-P165 WeakPolarHBondContact O-CD 3.09Å; R56-P165 WeakPolarHBondContact O-CG 3.28Å; P165-D167 VanDerWaalsContact C-N 3.28Å; P165-D167 PolarHBondContact O-N 3.45Å
166	I	52.3	Low	60.3	Low	49 Å²	49	58 Å²	58	25%	0.251	29%	0.291	S	S	.	.			trans	-57.2	105.7	176.3	-67.3	173.2	0	0	0	105.4	D164 Y168 I244 P249	D164-I166 PolarHBondContact O-N 2.85Å; I166-Y168 VanDerWaalsContact C-N 3.34Å; I166-Y168 PolarHBondContact O-N 2.8Å; I166-I244 HydrophobicContact CD1-CD1 3.31Å; I166-I244 HydrophobicContact CD1-CG1 3.91Å; I166-I244 HydrophobicContact CD1-CG2 4.07Å; I166-P249 HydrophobicContact CD1-CB 3.91Å; I166-P249 HydrophobicContact CD1-CG 3.98Å
167	D	46.8	Very low	57	Low	55 Å²	55	62.5 Å²	62.5	29%	0.294	32%	0.322	S	S	.	.			trans	-74.6	100.8	-179.3	-160.8	-2.6	0	0	0	105.5	P165 K169 D170	P165-D167 VanDerWaalsContact C-N 3.28Å; P165-D167 PolarHBondContact O-N 3.45Å; D167-K169 HydrophobicContact CB-CB 4.48Å; D167-K169 VanDerWaalsContact CG-CB 3.5Å; D167-K169 PolarHBondContact O-N 2.8Å; D167-K169 VanDerWaalsContact OD1-CB 3.27Å; D167-K169 WeakPolarHBondContact OD1-CB 3.35Å; D167-K169 WeakPolarHBondContact OD1-CG 3.46Å; D167-K169 PolarHBondContact OD1-N 3.08Å; D167-K169 VanDerWaalsContact OD1-N 3.14Å; D167-K169 IonicContact OD1-NZ 3.16Å; D167-K169 PolarHBondContact OD1-NZ 3.32Å; D167-K169 WeakPolarHBondContact OD2-CD 3.37Å; D167-K169 IonicContact OD2-NZ 2.65Å; D167-K169 PolarHBondContact OD2-NZ 2.7Å; D167-D170 PolarHBondContact O-N 2.93Å
168	Y	47.1	Very low	53.7	Low	69 Å²	69	69.7 Å²	69.7	27%	0.271	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-8.9	169.7	-175.7	-92.2	0	0	0	111.2	I166 D170 C171 L186 D190	I166-Y168 VanDerWaalsContact C-N 3.34Å; I166-Y168 PolarHBondContact O-N 2.8Å; Y168-D170 CarbonylContact O-C 3.49Å; Y168-D170 PolarHBondContact O-N 2.98Å; Y168-C171 WeakPolarHBondContact CD1-O 3.4Å; Y168-C171 HydrophobicContact CD2-CB 3.93Å; Y168-C171 VanDerWaalsContact CE1-O 3.29Å; Y168-C171 WeakPolarHBondContact CE1-O 3.41Å; Y168-C171 HydrophobicContact CE2-CB 4.3Å; Y168-C171 HydrophobicContact CG-CB 4.36Å; Y168-C171 CarbonylContact O-C 3.49Å; Y168-C171 VanDerWaalsContact O-CA 3.26Å; Y168-C171 WeakPolarHBondContact O-CA 3.46Å; Y168-C171 PolarHBondContact O-N 3.38Å; Y168-L186 WeakPolarHBondContact OH-CD2 3.28Å; Y168-D190 HydrophobicContact CE2-CB 3.72Å; Y168-D190 WeakPolarHBondContact CE2-OD2 3.5Å; Y168-D190 PolarHBondContact OH-OD1 2.67Å; Y168-D190 PolarHBondContact OH-OD2 3.16Å
169	K	40.8	Very low	50.4	Low	38 Å²	38	74.5 Å²	74.5	17%	0.165	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-23.8	163.8	-69.7	-176.9	-150.5	80.7	0	114.6	D167 M366 G368 Q369	D167-K169 HydrophobicContact CB-CB 4.48Å; D167-K169 VanDerWaalsContact CG-CB 3.5Å; D167-K169 PolarHBondContact O-N 2.8Å; D167-K169 VanDerWaalsContact OD1-CB 3.27Å; D167-K169 WeakPolarHBondContact OD1-CB 3.35Å; D167-K169 WeakPolarHBondContact OD1-CG 3.46Å; D167-K169 PolarHBondContact OD1-N 3.08Å; D167-K169 VanDerWaalsContact OD1-N 3.14Å; D167-K169 IonicContact OD1-NZ 3.16Å; D167-K169 PolarHBondContact OD1-NZ 3.32Å; D167-K169 WeakPolarHBondContact OD2-CD 3.37Å; D167-K169 IonicContact OD2-NZ 2.65Å; D167-K169 PolarHBondContact OD2-NZ 2.7Å; K169-M366 HydrophobicContact CG-SD 4.29Å; K169-G368 WeakPolarHBondContact CE-O 3.42Å; K169-Q369 HydrophobicContact CD-CB 3.65Å; K169-Q369 VanDerWaalsContact CE-O 3.29Å; K169-Q369 WeakPolarHBondContact CE-O 3.48Å; K169-Q369 VanDerWaalsContact NZ-C 3.32Å; K169-Q369 PolarHBondContact NZ-O 3.5Å
170	D	43.9	Very low	47.3	Very low	62 Å²	62	71.8 Å²	71.8	33%	0.332	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-63.5	162.8	-80.9	-21.3	0	0	0	106.3	D167 Y168 G172 Y191 C192 S193 G194	D167-D170 PolarHBondContact O-N 2.93Å; Y168-D170 CarbonylContact O-C 3.49Å; Y168-D170 PolarHBondContact O-N 2.98Å; D170-G172 PolarHBondContact O-N 2.66Å; D170-Y191 VanDerWaalsContact O-O 3.05Å; D170-C192 HydrophobicContact CB-CB 3.99Å; D170-C192 CarbonylContact O-C 3.55Å; D170-C192 WeakPolarHBondContact O-CA 3.34Å; D170-S193 VanDerWaalsContact C-N 3.26Å; D170-S193 WeakPolarHBondContact O-CB 3.41Å; D170-S193 PolarHBondContact O-N 3.44Å; D170-S193 PolarHBondContact O-OG 2.81Å; D170-S193 VanDerWaalsContact O-OG 3.05Å; D170-G194 PolarHBondContact OD1-N 2.86Å
171	C	43.3	Very low	44.3	Very low	5 Å²	5	75.6 Å²	75.6	3%	0.034	41%	0.405	C	S	.	.	B	Isolated β-bridge	trans	-68.8	71.7	-179.7	-44.3	0	0	0	0	113	Y168 D190 Y191 C192	Y168-C171 WeakPolarHBondContact CD1-O 3.4Å; Y168-C171 HydrophobicContact CD2-CB 3.93Å; Y168-C171 VanDerWaalsContact CE1-O 3.29Å; Y168-C171 WeakPolarHBondContact CE1-O 3.41Å; Y168-C171 HydrophobicContact CE2-CB 4.3Å; Y168-C171 HydrophobicContact CG-CB 4.36Å; Y168-C171 CarbonylContact O-C 3.49Å; Y168-C171 VanDerWaalsContact O-CA 3.26Å; Y168-C171 WeakPolarHBondContact O-CA 3.46Å; Y168-C171 PolarHBondContact O-N 3.38Å; C171-D190 HydrophobicContact CB-CB 3.6Å; C171-D190 WeakPolarHBondContact O-CB 3.2Å; C171-Y191 CarbonylContact C-O 3.5Å; C171-Y191 WeakPolarHBondContact CA-O 3.42Å; C171-C192 HydrophobicContact CB-CB 4.03Å; C171-C192 WeakPolarHBondContact CB-SG 3.28Å; C171-C192 WeakPolarHBondContact SG-CB 3.29Å; C171-C192 CovalentContact SG-SG 2.04Å; C171-C192 PolarHBondContact SG-SG 2.86Å
172	G	37.3	Very low	41.6	Very low	12 Å²	12	76.7 Å²	76.7	12%	0.124	41%	0.406	C	S	.	.	S	Bend	trans	118.5	98.5	-176	0	0	0	0	0	113	D170 Y191	D170-G172 PolarHBondContact O-N 2.66Å; G172-Y191 PolarHBondContact N-O 2.8Å
173	N	33.5	Very low	39	Very low	78 Å²	78	80.1 Å²	80.1	42%	0.417	42%	0.421	S	S	.	.				177.1	115.9	113.8	-89.4	-63.7	0	0	0	108.1	K175	N173-K175 PolarHBondContact O-N 2.86Å; N173-K175 VanDerWaalsContact O-N 3.09Å
174	V	30.2	Very low	36.8	Very low	127 Å²	127	83.7 Å²	83.7	77%	0.77	44%	0.437	S	S	*	.			trans	-47.7	122.3	162.7	176.8	0	0	0	0	107.4	T176	V174-T176 HydrophobicContact CG1-CG2 4.29Å; V174-T176 PolarHBondContact O-N 2.9Å
175	K	26	Very low	35	Very low	212 Å²	212	85.2 Å²	85.2	92%	0.922	44%	0.444	S	S	*	.			trans	-57.5	78.5	172.8	-75.4	-179.3	178.4	175.4	0	109.9	N173	N173-K175 PolarHBondContact O-N 2.86Å; N173-K175 VanDerWaalsContact O-N 3.09Å
176	T	24.9	Very low	33.6	Very low	84 Å²	84	88.8 Å²	88.8	52%	0.515	46%	0.46	S	S	.	.			trans	-96.9	105.9	158.7	46.1	0	0	0	0	105.4	V174 R182	V174-T176 HydrophobicContact CG1-CG2 4.29Å; V174-T176 PolarHBondContact O-N 2.9Å; T176-R182 PolarHBondContact OG1-NH2 2.03Å
177	S	26.7	Very low	32.9	Very low	95 Å²	95	90.5 Å²	90.5	66%	0.664	47%	0.473	S	S	*	.			trans	-47.9	144.3	166.5	-174.6	0	0	0	0	109.2
178	F	23.4	Very low	32.8	Very low	184 Å²	184	92.9 Å²	92.9	81%	0.807	48%	0.482	S	S	*	.	S	Bend	trans	97.6	117.8	175.9	-55.6	-76.3	0	0	0	117.6
179	S	25	Very low	32.7	Very low	108 Å²	108	90 Å²	90	76%	0.755	47%	0.472	S	S	*	.			trans	-13.9	128.5	168.2	-56.7	0	0	0	0	118.2
180	I	24	Very low	33.2	Very low	81 Å²	81	88.8 Å²	88.8	42%	0.415	47%	0.467	S	S	.	.				164.8	135.3	119.7	-68.5	137.3	0	0	0	106.7	R182 E335	I180-R182 PolarHBondContact O-N 3.27Å; I180-E335 HydrophobicContact CB-CG 3.99Å; I180-E335 HydrophobicContact CD1-CG 3.72Å; I180-E335 WeakPolarHBondContact CD1-OE1 3.43Å; I180-E335 HydrophobicContact CG1-CG 4.15Å; I180-E335 HydrophobicContact CG2-CB 4.23Å; I180-E335 HydrophobicContact CG2-CG 3.44Å; I180-E335 VanDerWaalsContact CG2-CG 3.44Å
181	V	26	Very low	33.6	Very low	81 Å²	81	89.4 Å²	89.4	49%	0.491	47%	0.465	S	S	.	.			trans	-59.8	113.5	-175.6	-178.6	0	0	0	0	110.5
182	R	28.8	Very low	34.1	Very low	127 Å²	127	89.2 Å²	89.2	48%	0.479	46%	0.464	S	S	.	.			trans	-91.6	118.5	179.1	-65.5	179.9	-178.5	157.5	2.9	110.4	T176 I180	T176-R182 PolarHBondContact OG1-NH2 2.03Å; I180-R182 PolarHBondContact O-N 3.27Å
183	F	32	Very low	34.5	Very low	85 Å²	85	91.8 Å²	91.8	37%	0.373	48%	0.48	S	S	.	.			trans	-84.6	100.3	161.3	-91.2	-91.8	0	0	0	108.1	N334	F183-N334 PolarHBondContact O-OD1 3.23Å
184	Q	31	Very low	35.1	Very low	99 Å²	99	88.9 Å²	88.9	46%	0.463	47%	0.469	S	S	.	.			trans	-84.9	128.4	169.4	-68.7	-174.8	-62.4	0	0	109	L186	Q184-L186 PolarHBondContact O-N 2.91Å
185	L	30.4	Very low	36	Very low	87 Å²	87	83.8 Å²	83.8	46%	0.455	44%	0.439	S	S	.	.			trans	-54.2	128.1	160.9	-161.1	73.5	0	0	0	106.5	T187 V322 V325	L185-T187 HydrophobicContact CB-CG2 4.46Å; L185-T187 HydrophobicContact CD2-CG2 3.75Å; L185-T187 HydrophobicContact CG-CG2 3.9Å; L185-T187 PolarHBondContact O-N 2.88Å; L185-V322 HydrophobicContact CD1-CG1 3.91Å; L185-V325 HydrophobicContact CD1-CG2 3.92Å
186	L	33	Very low	37.4	Very low	126 Å²	126	76.3 Å²	76.3	66%	0.66	42%	0.417	S	S	*	.	S	Bend	trans	-67.6	46.8	-174.8	-70.2	167.5	0	0	0	113.2	Y168 Q184	Y168-L186 WeakPolarHBondContact OH-CD2 3.28Å; Q184-L186 PolarHBondContact O-N 2.91Å
187	T	36.8	Very low	39.4	Very low	85 Å²	85	72.6 Å²	72.6	52%	0.521	39%	0.394	S	S	.	.			trans	-102.4	15.3	-175	57.1	0	0	0	0	113.5	L185 A212	L185-T187 HydrophobicContact CB-CG2 4.46Å; L185-T187 HydrophobicContact CD2-CG2 3.75Å; L185-T187 HydrophobicContact CG-CG2 3.9Å; L185-T187 PolarHBondContact O-N 2.88Å; T187-A212 VanDerWaalsContact CA-CB 3.46Å
188	Q	44.2	Very low	41.5	Very low	106 Å²	106	68.3 Å²	68.3	50%	0.495	37%	0.365	S	S	.	.	S	Bend	trans	-125.9	144.6	-173.9	-155.6	173.5	-22.8	0	0	111.4	D190	Q188-D190 PolarHBondContact O-N 2.89Å
189	V	45.5	Very low	43.9	Very low	8 Å²	8	62 Å²	62	5%	0.048	34%	0.343	C	S	.	.			trans	-59.1	126	158.2	176.4	0	0	0	0	107.1	Y191 V203 P211 V311 Y313	V189-Y191 HydrophobicContact CB-CE2 4.48Å; V189-Y191 HydrophobicContact CG1-CD1 4.36Å; V189-Y191 HydrophobicContact CG1-CE1 3.91Å; V189-Y191 WeakPolarHBondContact O-CE2 3.37Å; V189-V203 HydrophobicContact CG1-CB 3.95Å; V189-V203 HydrophobicContact CG1-CG2 3.97Å; V189-V203 HydrophobicContact CG2-CB 4.42Å; V189-P211 HydrophobicContact CG2-CB 3.27Å; V189-P211 HydrophobicContact CG2-CG 3.68Å; V189-V311 HydrophobicContact CG1-CG1 3.55Å; V189-Y313 HydrophobicContact CG2-CD2 4.23Å
190	D	51.3	Low	46.3	Very low	13 Å²	13	58.1 Å²	58.1	7%	0.07	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	113	-176	-65.2	-55.1	0	0	0	110.9	Y168 C171 Q188 G312	Y168-D190 HydrophobicContact CE2-CB 3.72Å; Y168-D190 WeakPolarHBondContact CE2-OD2 3.5Å; Y168-D190 PolarHBondContact OH-OD1 2.67Å; Y168-D190 PolarHBondContact OH-OD2 3.16Å; C171-D190 HydrophobicContact CB-CB 3.6Å; C171-D190 WeakPolarHBondContact O-CB 3.2Å; Q188-D190 PolarHBondContact O-N 2.89Å; D190-G312 PolarHBondContact N-O 2.99Å; D190-G312 PolarHBondContact O-N 3.21Å
191	Y	53.6	Low	48.8	Very low	75 Å²	75	58.4 Å²	58.4	29%	0.294	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	118.3	-177	-58.9	-74.1	0	0	0	110.1	D170 C171 G172 V189 S193 I200 V203	D170-Y191 VanDerWaalsContact O-O 3.05Å; C171-Y191 CarbonylContact C-O 3.5Å; C171-Y191 WeakPolarHBondContact CA-O 3.42Å; G172-Y191 PolarHBondContact N-O 2.8Å; V189-Y191 HydrophobicContact CB-CE2 4.48Å; V189-Y191 HydrophobicContact CG1-CD1 4.36Å; V189-Y191 HydrophobicContact CG1-CE1 3.91Å; V189-Y191 WeakPolarHBondContact O-CE2 3.37Å; Y191-S193 PolarHBondContact O-N 3.47Å; Y191-I200 HydrophobicContact CD1-CB 3.67Å; Y191-I200 HydrophobicContact CD1-CD1 4.15Å; Y191-I200 HydrophobicContact CD1-CG1 4.48Å; Y191-I200 HydrophobicContact CD1-CG2 3.54Å; Y191-I200 HydrophobicContact CE1-CB 4.06Å; Y191-I200 HydrophobicContact CE1-CG2 3.45Å; Y191-I200 VanDerWaalsContact CE1-CG2 3.45Å; Y191-V203 HydrophobicContact CE1-CG2 3.97Å
192	C	53.7	Low	51.2	Low	1 Å²	1	57.9 Å²	57.9	1%	0.007	31%	0.308	C	S	.	.	B	Isolated β-bridge	trans	-83.6	111	-170.5	-42.7	0	0	0	0	112.9	D170 C171 G194 S195 A310	D170-C192 HydrophobicContact CB-CB 3.99Å; D170-C192 CarbonylContact O-C 3.55Å; D170-C192 WeakPolarHBondContact O-CA 3.34Å; C171-C192 HydrophobicContact CB-CB 4.03Å; C171-C192 WeakPolarHBondContact CB-SG 3.28Å; C171-C192 WeakPolarHBondContact SG-CB 3.29Å; C171-C192 CovalentContact SG-SG 2.04Å; C171-C192 PolarHBondContact SG-SG 2.86Å; C192-G194 PolarHBondContact O-N 2.85Å; C192-S195 WeakPolarHBondContact O-CB 3.47Å; C192-S195 PolarHBondContact O-N 2.81Å; C192-S195 PolarHBondContact O-OG 3.19Å; C192-A310 HydrophobicContact CB-CB 3.54Å; C192-A310 WeakPolarHBondContact CB-O 3.16Å; C192-A310 PolarHBondContact N-O 2.92Å; C192-A310 VanDerWaalsContact SG-C 3.58Å; C192-A310 PolarHBondContact SG-O 2.85Å
193	S	45.2	Very low	53.6	Low	65 Å²	65	52.4 Å²	52.4	46%	0.455	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-6.2	177.4	-51.5	0	0	0	0	114.7	D170 Y191 S195	D170-S193 VanDerWaalsContact C-N 3.26Å; D170-S193 WeakPolarHBondContact O-CB 3.41Å; D170-S193 PolarHBondContact O-N 3.44Å; D170-S193 PolarHBondContact O-OG 2.81Å; D170-S193 VanDerWaalsContact O-OG 3.05Å; Y191-S193 PolarHBondContact O-N 3.47Å; S193-S195 PolarHBondContact O-N 2.73Å
194	G	44.9	Very low	56	Low	18 Å²	18	51.4 Å²	51.4	19%	0.186	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-1.5	160.2	0	0	0	0	0	113.3	D170 C192 A196 S307	D170-G194 PolarHBondContact OD1-N 2.86Å; C192-G194 PolarHBondContact O-N 2.85Å; G194-A196 PolarHBondContact O-N 3.2Å; G194-S307 PolarHBondContact O-N 2.96Å
195	S	49.8	Very low	58.6	Low	20 Å²	20	47 Å²	47	14%	0.14	27%	0.27	C	S	.	.			trans	-74.6	50	169.1	76.5	0	0	0	0	112.3	C192 S193 A197 G198 S307	C192-S195 WeakPolarHBondContact O-CB 3.47Å; C192-S195 PolarHBondContact O-N 2.81Å; C192-S195 PolarHBondContact O-OG 3.19Å; S193-S195 PolarHBondContact O-N 2.73Å; S195-A197 PolarHBondContact O-N 2.97Å; S195-G198 PolarHBondContact O-N 2.96Å; S195-G198 VanDerWaalsContact O-N 3.13Å; S195-G198 PolarHBondContact OG-O 2.88Å; S195-G198 VanDerWaalsContact OG-O 3.04Å; S195-S307 CarbonylContact C-O 3.44Å; S195-S307 WeakPolarHBondContact CA-O 3.16Å
196	A	56.3	Low	61.3	Low	55 Å²	55	47.4 Å²	47.4	46%	0.455	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-25.6	-177.5	0	0	0	0	0	112.4	G194 N231 E306	G194-A196 PolarHBondContact O-N 3.2Å; A196-N231 PolarHBondContact O-ND2 3.21Å; A196-E306 HydrophobicContact CB-CB 4.41Å; A196-E306 HydrophobicContact CB-CG 3.91Å
197	A	66.2	Low	63.8	Low	5 Å²	5	46.5 Å²	46.5	4%	0.041	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-3	-177.5	0	0	0	0	0	114.3	S195 N231 L308	S195-A197 PolarHBondContact O-N 2.97Å; A197-N231 VanDerWaalsContact O-CB 3.31Å; A197-N231 WeakPolarHBondContact O-CB 3.4Å; A197-N231 PolarHBondContact O-N 3.08Å; A197-L308 HydrophobicContact CB-CD2 3.5Å; A197-L308 VanDerWaalsContact CB-CD2 3.5Å; A197-L308 HydrophobicContact CB-CG 4.15Å; A197-L308 WeakPolarHBondContact O-CD2 3.13Å
198	G	70.7	Confident	65.8	Low	5 Å²	5	43.7 Å²	43.7	5%	0.052	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.8	177.3	178.3	0	0	0	0	0	114.9	S195 T229 N231 L308	S195-G198 PolarHBondContact O-N 2.96Å; S195-G198 VanDerWaalsContact O-N 3.13Å; S195-G198 PolarHBondContact OG-O 2.88Å; S195-G198 VanDerWaalsContact OG-O 3.04Å; G198-T229 CarbonylContact C-O 3.48Å; G198-T229 VanDerWaalsContact CA-O 3.24Å; G198-T229 WeakPolarHBondContact CA-O 3.44Å; G198-N231 PolarHBondContact N-ND2 2.81Å; G198-L308 CarbonylContact C-O 3.56Å; G198-L308 WeakPolarHBondContact CA-O 3.09Å; G198-L308 PolarHBondContact N-O 3.04Å
199	S	74.7	Confident	67.1	Low	51 Å²	51	44.7 Å²	44.7	36%	0.357	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	138.1	176.2	59.9	0	0	0	0	110.6	Q201 F228 T229	S199-Q201 PolarHBondContact O-NE2 3.43Å; S199-Q201 PolarHBondContact OG-NE2 3.32Å; S199-Q201 VanDerWaalsContact OG-NE2 3.17Å; S199-F228 CarbonylContact O-C 3.29Å; S199-F228 WeakPolarHBondContact O-CA 3.15Å; S199-F228 VanDerWaalsContact O-CB 3.31Å; S199-F228 WeakPolarHBondContact O-CB 3.23Å; S199-T229 PolarHBondContact N-O 2.64Å; S199-T229 PolarHBondContact O-N 3.27Å
200	I	73.6	Confident	67.8	Low	27 Å²	27	48 Å²	48	14%	0.138	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	132.1	176.7	-53.6	-177.8	0	0	0	109	Y191 V203 I226 A227 F228 A309 A310 V311	Y191-I200 HydrophobicContact CD1-CB 3.67Å; Y191-I200 HydrophobicContact CD1-CD1 4.15Å; Y191-I200 HydrophobicContact CD1-CG1 4.48Å; Y191-I200 HydrophobicContact CD1-CG2 3.54Å; Y191-I200 HydrophobicContact CE1-CB 4.06Å; Y191-I200 HydrophobicContact CE1-CG2 3.45Å; Y191-I200 VanDerWaalsContact CE1-CG2 3.45Å; I200-V203 HydrophobicContact CG2-CG2 4.01Å; I200-I226 HydrophobicContact CG2-CG2 4.12Å; I200-A227 WeakPolarHBondContact CG2-O 3.41Å; I200-F228 HydrophobicContact CG1-CB 4.41Å; I200-A309 HydrophobicContact CD1-CB 3.67Å; I200-A309 HydrophobicContact CG1-CB 3.64Å; I200-A310 WeakPolarHBondContact CD1-O 3.37Å; I200-V311 HydrophobicContact CD1-CG2 3.5Å
201	Q	77.3	Confident	68	Low	87 Å²	87	49.3 Å²	49.3	41%	0.407	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	-46.6	177.1	-72.2	74.6	76.3	0	0	111.5	S199 A227 F228 T229	S199-Q201 PolarHBondContact O-NE2 3.43Å; S199-Q201 PolarHBondContact OG-NE2 3.32Å; S199-Q201 VanDerWaalsContact OG-NE2 3.17Å; Q201-A227 HydrophobicContact CB-CB 4.12Å; Q201-A227 PolarHBondContact N-O 2.74Å; Q201-F228 PolarHBondContact OE1-O 2.88Å; Q201-T229 PolarHBondContact NE2-OG1 2.81Å; Q201-T229 VanDerWaalsContact OE1-N 3.14Å; Q201-T229 PolarHBondContact OE1-OG1 2.85Å
202	N	76.3	Confident	67.8	Low	70 Å²	70	46.4 Å²	46.4	37%	0.374	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	160.2	178.3	88.3	20	0	0	0	111.9	A227	N202-A227 HydrophobicContact CB-CB 4.37Å; N202-A227 PolarHBondContact N-O 2.65Å; N202-A227 PolarHBondContact O-N 2.97Å; N202-A227 WeakPolarHBondContact OD1-CB 3.24Å; N202-A227 PolarHBondContact OD1-N 2.8Å
203	V	79.3	Confident	68.1	Low	13 Å²	13	48.8 Å²	48.8	8%	0.079	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	134.4	165.2	-179.2	0	0	0	0	108.8	V189 Y191 I200 I224 R225 I226 V311	V189-V203 HydrophobicContact CG1-CB 3.95Å; V189-V203 HydrophobicContact CG1-CG2 3.97Å; V189-V203 HydrophobicContact CG2-CB 4.42Å; Y191-V203 HydrophobicContact CE1-CG2 3.97Å; I200-V203 HydrophobicContact CG2-CG2 4.01Å; V203-I224 HydrophobicContact CG1-CD1 4.19Å; V203-I224 HydrophobicContact CG1-CG1 4.22Å; V203-R225 CarbonylContact C-O 3.5Å; V203-R225 VanDerWaalsContact CA-O 3.29Å; V203-R225 WeakPolarHBondContact CA-O 3.37Å; V203-I226 HydrophobicContact CG1-CG1 4.4Å; V203-I226 HydrophobicContact CG2-CG1 4.35Å; V203-I226 HydrophobicContact CG2-CG2 4.28Å; V203-V311 HydrophobicContact CB-CG1 4.29Å; V203-V311 HydrophobicContact CG1-CG1 4.06Å; V203-V311 HydrophobicContact CG2-CB 4.23Å; V203-V311 HydrophobicContact CG2-CG1 3.7Å; V203-V311 HydrophobicContact CG2-CG2 3.45Å; V203-V311 VanDerWaalsContact CG2-CG2 3.45Å
204	T	83	Confident	69.3	Low	64 Å²	64	45.7 Å²	45.7	39%	0.393	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	148.9	171.5	58	0	0	0	0	110.2	I224 R225	T204-I224 CarbonylContact O-C 3.5Å; T204-I224 WeakPolarHBondContact O-CA 3.39Å; T204-R225 PolarHBondContact N-O 3.39Å; T204-R225 PolarHBondContact O-N 3.31Å
205	V	84.4	Confident	70.8	Confident	6 Å²	6	49.4 Å²	49.4	4%	0.036	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	116.3	174.7	179.1	0	0	0	0	107.4	C208 L216 P222 T223 I224 F281 Y313	V205-C208 HydrophobicContact CB-CB 4.44Å; V205-C208 CarbonylContact O-C 3.5Å; V205-C208 VanDerWaalsContact O-CA 3.29Å; V205-C208 WeakPolarHBondContact O-CA 3.29Å; V205-C208 VanDerWaalsContact O-CB 3.28Å; V205-C208 WeakPolarHBondContact O-CB 3.46Å; V205-C208 PolarHBondContact O-N 3.48Å; V205-L216 HydrophobicContact CG1-CD2 4.13Å; V205-P222 HydrophobicContact CG1-CB 4.28Å; V205-T223 CarbonylContact C-O 3.57Å; V205-T223 WeakPolarHBondContact CA-O 3.31Å; V205-I224 HydrophobicContact CG2-CB 4.39Å; V205-I224 HydrophobicContact CG2-CD1 4.33Å; V205-I224 HydrophobicContact CG2-CG1 4.06Å; V205-F281 HydrophobicContact CG1-CE1 4.46Å; V205-F281 HydrophobicContact CG1-CZ 4.32Å; V205-Y313 HydrophobicContact CB-CE2 4.31Å; V205-Y313 HydrophobicContact CG2-CD2 4.21Å; V205-Y313 HydrophobicContact CG2-CE1 4.13Å; V205-Y313 HydrophobicContact CG2-CE2 3.69Å
206	E	87.3	Confident	72.4	Confident	95 Å²	95	50 Å²	50	44%	0.444	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	136	173.6	-74.6	178.4	168.1	0	0	110.5	P222 T223 R225	E206-P222 VanDerWaalsContact O-CA 3.23Å; E206-P222 WeakPolarHBondContact O-CA 3.34Å; E206-P222 VanDerWaalsContact O-CB 3.24Å; E206-P222 WeakPolarHBondContact O-CB 3.49Å; E206-T223 PolarHBondContact N-O 3.27Å; E206-T223 PolarHBondContact O-N 2.96Å; E206-R225 IonicContact OE1-CZ 2.81Å; E206-R225 IonicContact OE1-NH1 3.89Å; E206-R225 PolarHBondContact OE1-NH1 2.94Å; E206-R225 IonicContact OE1-NH2 3.2Å; E206-R225 IonicContact OE2-CZ 3.77Å; E206-R225 IonicContact OE2-NH1 3.44Å; E206-R225 PolarHBondContact OE2-NH1 2.83Å; E206-R225 VanDerWaalsContact OE2-NH1 3.16Å; E206-R225 IonicContact OE2-NH2 2.89Å; E206-R225 PolarHBondContact OE2-NH2 3.38Å
207	P	85.1	Confident	73.8	Confident	108 Å²	108	54.4 Å²	54.4	70%	0.701	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	cis	-94.9	19.7	7.7	37.9	-36.7	0	0	0	114.5	S209	P207-S209 PolarHBondContact O-N 3.03Å
208	C	80.2	Confident	74.9	Confident	25 Å²	25	58.1 Å²	58.1	17%	0.169	32%	0.32	C	S	.	.	B	Isolated β-bridge	trans	-74	113.4	-175.8	-66.8	0	0	0	0	112.1	V205 C214 Y313	V205-C208 HydrophobicContact CB-CB 4.44Å; V205-C208 CarbonylContact O-C 3.5Å; V205-C208 VanDerWaalsContact O-CA 3.29Å; V205-C208 WeakPolarHBondContact O-CA 3.29Å; V205-C208 VanDerWaalsContact O-CB 3.28Å; V205-C208 WeakPolarHBondContact O-CB 3.46Å; V205-C208 PolarHBondContact O-N 3.48Å; C208-C214 HydrophobicContact CB-CB 3.69Å; C208-C214 WeakPolarHBondContact CB-SG 3.22Å; C208-C214 WeakPolarHBondContact SG-CA 3.04Å; C208-C214 WeakPolarHBondContact SG-CB 3.24Å; C208-C214 CovalentContact SG-SG 2.03Å; C208-C214 PolarHBondContact SG-SG 2.03Å; C208-Y313 WeakPolarHBondContact CB-OH 3.07Å
209	S	70.5	Confident	75.8	Confident	128 Å²	128	60.2 Å²	60.2	90%	0.895	34%	0.342	S	S	*	.	S	Bend	trans	-76.2	-26.3	174.6	-45.3	0	0	0	0	113	P207	P207-S209 PolarHBondContact O-N 3.03Å
210	N	60.1	Low	76.7	Confident	78 Å²	78	60.2 Å²	60.2	42%	0.417	34%	0.34	S	S	.	.			trans	-118.3	119	176.3	-176.6	-1.3	0	0	0	109.8	A212 D213	N210-A212 PolarHBondContact O-N 3.31Å; N210-A212 WeakPolarHBondContact OD1-CB 3.33Å; N210-A212 PolarHBondContact OD1-N 3.32Å; N210-D213 CarbonylContact O-C 3.58Å; N210-D213 PolarHBondContact O-N 3.02Å
211	P	55.2	Low	77.6	Confident	39 Å²	39	62.8 Å²	62.8	25%	0.253	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-21.4	177.4	26.4	-34.9	0	0	0	115	V189 Y313	V189-P211 HydrophobicContact CG2-CB 3.27Å; V189-P211 HydrophobicContact CG2-CG 3.68Å; P211-Y313 WeakPolarHBondContact CA-OH 3.28Å; P211-Y313 HydrophobicContact CB-CD2 3.97Å; P211-Y313 HydrophobicContact CB-CE2 3.32Å; P211-Y313 WeakPolarHBondContact O-CE2 3.5Å
212	A	50.8	Low	78.3	Confident	14 Å²	14	58.8 Å²	58.8	12%	0.116	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-15.7	-178.6	0	0	0	0	0	114.4	T187 N210	T187-A212 VanDerWaalsContact CA-CB 3.46Å; N210-A212 PolarHBondContact O-N 3.31Å; N210-A212 WeakPolarHBondContact OD1-CB 3.33Å; N210-A212 PolarHBondContact OD1-N 3.32Å
213	D	58.2	Low	79	Confident	51 Å²	51	56.7 Å²	56.7	27%	0.273	33%	0.332	S	S	.	.	S	Bend	trans	-138.7	65.1	179.8	-169.8	14.4	0	0	0	108.6	N210 P318 K353	N210-D213 CarbonylContact O-C 3.58Å; N210-D213 PolarHBondContact O-N 3.02Å; D213-P318 WeakPolarHBondContact OD1-CD 3.47Å; D213-K353 IonicContact OD1-NZ 3.58Å; D213-K353 PolarHBondContact OD1-NZ 2.92Å; D213-K353 IonicContact OD2-NZ 2.86Å; D213-K353 PolarHBondContact OD2-NZ 2.8Å
214	C	70.4	Confident	79.5	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	33%	0.329	C	S	.	.	B	Isolated β-bridge	trans	-95.8	105.9	-176.5	179.1	0	0	0	0	112.3	C208 L216 Y313 G316	C208-C214 HydrophobicContact CB-CB 3.69Å; C208-C214 WeakPolarHBondContact CB-SG 3.22Å; C208-C214 WeakPolarHBondContact SG-CA 3.04Å; C208-C214 WeakPolarHBondContact SG-CB 3.24Å; C208-C214 CovalentContact SG-SG 2.03Å; C208-C214 PolarHBondContact SG-SG 2.03Å; C214-L216 PolarHBondContact O-N 3.37Å; C214-L216 WeakPolarHBondContact SG-CD2 3.38Å; C214-Y313 HydrophobicContact CB-CE1 3.3Å; C214-Y313 VanDerWaalsContact CB-CZ 3.42Å; C214-Y313 WeakPolarHBondContact CB-OH 3.35Å; C214-Y313 VanDerWaalsContact SG-CE1 3.51Å; C214-Y313 PolarHBondContact SG-OH 2.95Å; C214-G316 PolarHBondContact O-N 2.91Å
215	E	77.7	Confident	79.8	Confident	96 Å²	96	55.7 Å²	55.7	45%	0.449	32%	0.319	S	S	.	.			trans	-85.3	90.4	176.9	-55.3	-162.7	160.5	0	0	110.7	K217 S317 K353	E215-K217 PolarHBondContact O-N 2.69Å; E215-S317 VanDerWaalsContact CG-OG 3.31Å; E215-S317 WeakPolarHBondContact CG-OG 3.28Å; E215-S317 WeakPolarHBondContact OE1-CB 3.45Å; E215-S317 PolarHBondContact OE1-OG 2.79Å; E215-K353 IonicContact OE1-NZ 3.7Å; E215-K353 PolarHBondContact OE1-NZ 3.2Å
216	L	83.8	Confident	79.9	Confident	34 Å²	34	55.4 Å²	55.4	18%	0.178	32%	0.318	C	S	.	.			trans	-76.5	112	172.9	-62	-171.6	0	0	0	110.5	V205 C214 P222 F281 V283 I294 A315	V205-L216 HydrophobicContact CG1-CD2 4.13Å; C214-L216 PolarHBondContact O-N 3.37Å; C214-L216 WeakPolarHBondContact SG-CD2 3.38Å; L216-P222 HydrophobicContact CD2-CB 3.94Å; L216-P222 HydrophobicContact CD2-CG 3.65Å; L216-F281 HydrophobicContact CD1-CE2 3.78Å; L216-F281 HydrophobicContact CD1-CZ 3.93Å; L216-V283 HydrophobicContact CB-CG2 4.11Å; L216-V283 HydrophobicContact CD1-CG2 4.33Å; L216-I294 HydrophobicContact CD1-CD1 4.01Å; L216-A315 HydrophobicContact CD1-CB 3.84Å; L216-A315 HydrophobicContact CG-CB 4.31Å
217	K	85.4	Confident	79.9	Confident	147 Å²	147	51.7 Å²	51.7	64%	0.639	30%	0.303	S	S	*	.			trans	-77	137.1	-179.2	-68	-176.7	-178.4	178.4	0	111	E215 T220	E215-K217 PolarHBondContact O-N 2.69Å; K217-T220 HydrophobicContact CB-CG2 3.69Å; K217-T220 WeakPolarHBondContact O-CB 3.42Å; K217-T220 PolarHBondContact O-N 2.8Å; K217-T220 PolarHBondContact O-OG1 2.83Å
218	K	88.1	Confident	80	Confident	83 Å²	83	46.6 Å²	46.6	36%	0.361	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	145.9	173	-60.2	-174.5	-168.2	176.7	0	110.8	T220 V283 Y287 S289	K218-T220 VanDerWaalsContact C-N 3.27Å; K218-V283 CarbonylContact C-O 3.39Å; K218-V283 WeakPolarHBondContact CA-O 3.29Å; K218-V283 HydrophobicContact CG-CG1 4.46Å; K218-Y287 WeakPolarHBondContact CD-O 3.47Å; K218-Y287 WeakPolarHBondContact CE-O 3.23Å; K218-Y287 PolarHBondContact NZ-O 2.03Å; K218-S289 WeakPolarHBondContact CE-OG 3.41Å; K218-S289 PolarHBondContact NZ-OG 2.99Å
219	G	90.7	Very high	80.2	Confident	49 Å²	49	46.4 Å²	46.4	51%	0.505	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.4	10.6	-174.4	0	0	0	0	0	114.4	V283	G219-V283 PolarHBondContact N-O 2.82Å
220	T	93.1	Very high	81	Confident	51 Å²	51	40.3 Å²	40.3	31%	0.313	23%	0.226	S	C	.	.	B	Isolated β-bridge	trans	-111.6	163.9	178.7	71.4	0	0	0	0	111.9	K217 K218 P222 V283	K217-T220 HydrophobicContact CB-CG2 3.69Å; K217-T220 WeakPolarHBondContact O-CB 3.42Å; K217-T220 PolarHBondContact O-N 2.8Å; K217-T220 PolarHBondContact O-OG1 2.83Å; K218-T220 VanDerWaalsContact C-N 3.27Å; T220-P222 VanDerWaalsContact C-CD 3.49Å; T220-P222 WeakPolarHBondContact O-CD 3.1Å; T220-V283 PolarHBondContact O-N 2.83Å
221	S	93.5	Very high	82.2	Confident	80 Å²	80	40.5 Å²	40.5	56%	0.559	23%	0.227	S	C	*	.			trans	-118.8	81.2	174.2	-58.2	0	0	0	0	110.7	F281	S221-F281 WeakPolarHBondContact CA-O 3.5Å
222	P	91.1	Very high	83.6	Confident	4 Å²	4	40.9 Å²	40.9	3%	0.026	23%	0.23	C	C	.	.			trans	-57.3	154.6	170.7	-21.3	31.9	0	0	0	112.1	V205 E206 L216 T220 A280 F281 V283	V205-P222 HydrophobicContact CG1-CB 4.28Å; E206-P222 VanDerWaalsContact O-CA 3.23Å; E206-P222 WeakPolarHBondContact O-CA 3.34Å; E206-P222 VanDerWaalsContact O-CB 3.24Å; E206-P222 WeakPolarHBondContact O-CB 3.49Å; L216-P222 HydrophobicContact CD2-CB 3.94Å; L216-P222 HydrophobicContact CD2-CG 3.65Å; T220-P222 VanDerWaalsContact C-CD 3.49Å; T220-P222 WeakPolarHBondContact O-CD 3.1Å; P222-A280 WeakPolarHBondContact O-CA 3.04Å; P222-F281 HydrophobicContact CB-CE1 3.87Å; P222-F281 HydrophobicContact CB-CE2 4.21Å; P222-F281 HydrophobicContact CB-CZ 3.68Å; P222-F281 VanDerWaalsContact CD-O 3.24Å; P222-F281 WeakPolarHBondContact CD-O 3.47Å; P222-F281 HydrophobicContact CG-CE2 4.23Å; P222-F281 HydrophobicContact CG-CZ 4.17Å; P222-F281 WeakPolarHBondContact O-CD1 3.41Å; P222-F281 PolarHBondContact O-N 3.36Å; P222-V283 HydrophobicContact CG-CG2 3.79Å
223	T	91.7	Very high	85.5	Confident	26 Å²	26	46.4 Å²	46.4	16%	0.16	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	122.9	177.6	-59.3	0	0	0	0	109.6	V205 E206 E278	V205-T223 CarbonylContact C-O 3.57Å; V205-T223 WeakPolarHBondContact CA-O 3.31Å; E206-T223 PolarHBondContact N-O 3.27Å; E206-T223 PolarHBondContact O-N 2.96Å; T223-E278 HydrophobicContact CG2-CG 3.71Å
224	I	89.2	Confident	86.9	Confident	4 Å²	4	44 Å²	44	2%	0.021	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	141	170.3	-170.6	166.4	0	0	0	109.8	V203 T204 V205 I226 Y277 E278 Q279 F281 W296	V203-I224 HydrophobicContact CG1-CD1 4.19Å; V203-I224 HydrophobicContact CG1-CG1 4.22Å; T204-I224 CarbonylContact O-C 3.5Å; T204-I224 WeakPolarHBondContact O-CA 3.39Å; V205-I224 HydrophobicContact CG2-CB 4.39Å; V205-I224 HydrophobicContact CG2-CD1 4.33Å; V205-I224 HydrophobicContact CG2-CG1 4.06Å; I224-I226 HydrophobicContact CD1-CD1 4.09Å; I224-I226 HydrophobicContact CD1-CG1 4.12Å; I224-I226 HydrophobicContact CG1-CD1 4.48Å; I224-I226 HydrophobicContact CG1-CG1 4.05Å; I224-Y277 HydrophobicContact CG2-CE1 4.3Å; I224-E278 WeakPolarHBondContact O-CA 3.39Å; I224-Q279 WeakPolarHBondContact CG2-O 3.38Å; I224-Q279 PolarHBondContact N-O 2.7Å; I224-Q279 PolarHBondContact O-N 3.46Å; I224-F281 HydrophobicContact CB-CE1 4.1Å; I224-F281 HydrophobicContact CG2-CD1 4.34Å; I224-F281 HydrophobicContact CG2-CE1 4.41Å; I224-W296 HydrophobicContact CB-CZ3 4.4Å; I224-W296 HydrophobicContact CD1-CB 4.38Å; I224-W296 HydrophobicContact CD1-CD2 3.83Å; I224-W296 HydrophobicContact CD1-CE3 3.66Å; I224-W296 HydrophobicContact CD1-CG 4.15Å; I224-W296 HydrophobicContact CD1-CZ3 4.24Å; I224-W296 HydrophobicContact CG2-CD2 4.22Å; I224-W296 HydrophobicContact CG2-CE3 4.05Å; I224-W296 HydrophobicContact CG2-CH2 3.39Å; I224-W296 HydrophobicContact CG2-CZ2 3.59Å; I224-W296 HydrophobicContact CG2-CZ3 3.65Å
225	R	89.1	Confident	87.9	Confident	51 Å²	51	47.2 Å²	47.2	19%	0.192	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	131.7	167.3	-57.3	-173.4	-179.2	90.3	14.1	110.3	V203 T204 E206 L276 Y277 E278	V203-R225 CarbonylContact C-O 3.5Å; V203-R225 VanDerWaalsContact CA-O 3.29Å; V203-R225 WeakPolarHBondContact CA-O 3.37Å; T204-R225 PolarHBondContact N-O 3.39Å; T204-R225 PolarHBondContact O-N 3.31Å; E206-R225 IonicContact OE1-CZ 2.81Å; E206-R225 IonicContact OE1-NH1 3.89Å; E206-R225 PolarHBondContact OE1-NH1 2.94Å; E206-R225 IonicContact OE1-NH2 3.2Å; E206-R225 IonicContact OE2-CZ 3.77Å; E206-R225 IonicContact OE2-NH1 3.44Å; E206-R225 PolarHBondContact OE2-NH1 2.83Å; E206-R225 VanDerWaalsContact OE2-NH1 3.16Å; E206-R225 IonicContact OE2-NH2 2.89Å; E206-R225 PolarHBondContact OE2-NH2 3.38Å; R225-L276 HydrophobicContact CB-CD1 4.18Å; R225-Y277 CarbonylContact C-O 3.38Å; R225-Y277 WeakPolarHBondContact CA-O 3.26Å; R225-E278 WeakPolarHBondContact CD-OE2 3.43Å; R225-E278 HydrophobicContact CG-CB 4.18Å; R225-E278 HydrophobicContact CG-CG 3.96Å; R225-E278 IonicContact CZ-OE1 3.27Å; R225-E278 IonicContact CZ-OE2 2.81Å; R225-E278 IonicContact NE-OE1 2.74Å; R225-E278 PolarHBondContact NE-OE1 2.67Å; R225-E278 IonicContact NE-OE2 3.44Å; R225-E278 PolarHBondContact NE-OE2 2.9Å; R225-E278 IonicContact NH2-OE1 2.85Å; R225-E278 PolarHBondContact NH2-OE1 2.92Å; R225-E278 IonicContact NH2-OE2 2.8Å
226	I	87.6	Confident	88.5	Confident	1 Å²	1	48.9 Å²	48.9	1%	0.005	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	110.3	179.2	-53.6	175.9	0	0	0	107.8	I200 V203 I224 F228 Y277 W296 V311	I200-I226 HydrophobicContact CG2-CG2 4.12Å; V203-I226 HydrophobicContact CG1-CG1 4.4Å; V203-I226 HydrophobicContact CG2-CG1 4.35Å; V203-I226 HydrophobicContact CG2-CG2 4.28Å; I224-I226 HydrophobicContact CD1-CD1 4.09Å; I224-I226 HydrophobicContact CD1-CG1 4.12Å; I224-I226 HydrophobicContact CG1-CD1 4.48Å; I224-I226 HydrophobicContact CG1-CG1 4.05Å; I226-F228 HydrophobicContact CG2-CD1 4.42Å; I226-Y277 HydrophobicContact CB-CD1 4.23Å; I226-Y277 HydrophobicContact CD1-CD1 3.95Å; I226-Y277 HydrophobicContact CD1-CE1 4.3Å; I226-Y277 HydrophobicContact CG1-CD1 4.1Å; I226-Y277 PolarHBondContact N-O 2.83Å; I226-Y277 PolarHBondContact O-N 3.14Å; I226-W296 HydrophobicContact CD1-CB 4.33Å; I226-W296 VanDerWaalsContact CD1-CD1 3.49Å; I226-W296 HydrophobicContact CD1-CG 3.88Å; I226-V311 HydrophobicContact CD1-CG2 4.13Å; I226-V311 HydrophobicContact CG2-CG2 4.29Å
227	A	86.1	Confident	88.9	Confident	17 Å²	17	47.5 Å²	47.5	14%	0.14	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	122.2	169.3	0	0	0	0	0	109	I200 Q201 N202 L276	I200-A227 WeakPolarHBondContact CG2-O 3.41Å; Q201-A227 HydrophobicContact CB-CB 4.12Å; Q201-A227 PolarHBondContact N-O 2.74Å; N202-A227 HydrophobicContact CB-CB 4.37Å; N202-A227 PolarHBondContact N-O 2.65Å; N202-A227 PolarHBondContact O-N 2.97Å; N202-A227 WeakPolarHBondContact OD1-CB 3.24Å; N202-A227 PolarHBondContact OD1-N 2.8Å; A227-L276 HydrophobicContact CB-CD1 4.13Å
228	F	86.7	Confident	89.2	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	162.1	-179.8	74.4	-79.5	0	0	0	112	S199 I200 Q201 I226 P230 L237 I265 L269 P274 A275 L298 L308 A309	S199-F228 CarbonylContact O-C 3.29Å; S199-F228 WeakPolarHBondContact O-CA 3.15Å; S199-F228 VanDerWaalsContact O-CB 3.31Å; S199-F228 WeakPolarHBondContact O-CB 3.23Å; I200-F228 HydrophobicContact CG1-CB 4.41Å; Q201-F228 PolarHBondContact OE1-O 2.88Å; I226-F228 HydrophobicContact CG2-CD1 4.42Å; F228-P230 HydrophobicContact CE2-CB 4.46Å; F228-L237 HydrophobicContact CZ-CD2 4Å; F228-I265 HydrophobicContact CE1-CD1 3.63Å; F228-I265 HydrophobicContact CZ-CD1 3.86Å; F228-L269 HydrophobicContact CE2-CD1 4.25Å; F228-L269 HydrophobicContact CZ-CD1 3.92Å; F228-P274 CarbonylContact O-C 3.41Å; F228-P274 WeakPolarHBondContact O-CA 2.99Å; F228-A275 HydrophobicContact CE1-CB 4.08Å; F228-A275 HydrophobicContact CZ-CB 4.07Å; F228-A275 PolarHBondContact N-O 2.93Å; F228-A275 PolarHBondContact O-N 3.19Å; F228-A275 VanDerWaalsContact O-O 3.11Å; F228-L298 HydrophobicContact CD1-CD1 3.8Å; F228-L298 HydrophobicContact CE1-CD1 3.43Å; F228-L298 VanDerWaalsContact CE1-CD1 3.43Å; F228-L298 HydrophobicContact CZ-CD1 3.88Å; F228-L308 HydrophobicContact CE2-CB 4.48Å; F228-A309 HydrophobicContact CB-CB 4.1Å; F228-A309 HydrophobicContact CD2-CB 4.41Å; F228-A309 HydrophobicContact CG-CB 4.16Å
229	T	85.1	Confident	89.3	Confident	21 Å²	21	42.4 Å²	42.4	13%	0.129	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	112.5	176.8	-60.4	0	0	0	0	108.4	G198 S199 Q201	G198-T229 CarbonylContact C-O 3.48Å; G198-T229 VanDerWaalsContact CA-O 3.24Å; G198-T229 WeakPolarHBondContact CA-O 3.44Å; S199-T229 PolarHBondContact N-O 2.64Å; S199-T229 PolarHBondContact O-N 3.27Å; Q201-T229 PolarHBondContact NE2-OG1 2.81Å; Q201-T229 VanDerWaalsContact OE1-N 3.14Å; Q201-T229 PolarHBondContact OE1-OG1 2.85Å
230	P	87.7	Confident	89.2	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	145.6	174.8	30.4	-34.4	0	0	0	110.3	F228 L269 K272 V273 L308	F228-P230 HydrophobicContact CE2-CB 4.46Å; P230-L269 HydrophobicContact CG-CB 4.33Å; P230-K272 WeakPolarHBondContact O-CA 3.46Å; P230-K272 PolarHBondContact O-N 3.07Å; P230-V273 VanDerWaalsContact CD-O 3.28Å; P230-V273 WeakPolarHBondContact CD-O 3.42Å; P230-L308 HydrophobicContact CB-CD2 3.94Å
231	N	84.6	Confident	89	Confident	83 Å²	83	39.5 Å²	39.5	44%	0.444	21%	0.212	S	C	.	.	S	Bend	trans	-79.4	-28.5	179.6	-69.2	-24.8	0	0	0	112.2	A196 A197 G198	A196-N231 PolarHBondContact O-ND2 3.21Å; A197-N231 VanDerWaalsContact O-CB 3.31Å; A197-N231 WeakPolarHBondContact O-CB 3.4Å; A197-N231 PolarHBondContact O-N 3.08Å; G198-N231 PolarHBondContact N-ND2 2.81Å
232	S	85.6	Confident	88.4	Confident	47 Å²	47	37.5 Å²	37.5	33%	0.329	19%	0.194	S	C	.	.	S	Bend	trans	-133.6	166.3	-178.1	56.8	0	0	0	0	111.1	T234 G271	S232-T234 PolarHBondContact O-N 2.74Å; S232-T234 PolarHBondContact O-OG1 2.83Å; S232-G271 VanDerWaalsContact C-CA 3.41Å; S232-G271 WeakPolarHBondContact O-CA 3.46Å
233	Q	89.6	Confident	87.8	Confident	129 Å²	129	37.9 Å²	37.9	60%	0.603	20%	0.198	S	C	*	.			trans	-58.6	134.4	173.1	-176.8	175.4	59.6	0	0	109.9	L269	Q233-L269 WeakPolarHBondContact CA-O 3.39Å
234	T	88.4	Confident	86.6	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.195	C	C	.	.	B	Isolated β-bridge	trans	-124.1	119.2	-178.5	-65.6	0	0	0	0	108.5	S232 Q236 L237 P268 L269 N300 L308	S232-T234 PolarHBondContact O-N 2.74Å; S232-T234 PolarHBondContact O-OG1 2.83Å; T234-Q236 WeakPolarHBondContact CG2-O 3.5Å; T234-L237 HydrophobicContact CG2-CD1 4.35Å; T234-P268 CarbonylContact O-C 3.54Å; T234-P268 VanDerWaalsContact O-CA 3.28Å; T234-P268 WeakPolarHBondContact O-CA 3.4Å; T234-L269 PolarHBondContact N-O 2.92Å; T234-L269 PolarHBondContact O-N 3.25Å; T234-N300 HydrophobicContact CG2-CB 3.77Å; T234-L308 HydrophobicContact CG2-CD1 3.62Å
235	T	91.6	Very high	85.6	Confident	69 Å²	69	39 Å²	39	42%	0.423	20%	0.204	S	C	.	.	S	Bend	trans	-92.3	-25.9	-178.8	58.2	0	0	0	0	112.9	C267 P268 E301	T235-C267 WeakPolarHBondContact O-CB 3.29Å; T235-P268 HydrophobicContact CG2-CB 4.39Å; T235-E301 PolarHBondContact N-OE1 2.04Å; T235-E301 PolarHBondContact N-OE2 2.68Å; T235-E301 PolarHBondContact OG1-OE1 3.43Å
236	Q	90.7	Very high	84.2	Confident	131 Å²	131	43.4 Å²	43.4	61%	0.612	23%	0.225	S	C	*	.			trans	-132.7	141	177.9	-66.9	178	65.6	0	0	109.7	T234 N300 E301	T234-Q236 WeakPolarHBondContact CG2-O 3.5Å; Q236-N300 VanDerWaalsContact O-CA 3.3Å; Q236-N300 WeakPolarHBondContact O-CA 3.44Å; Q236-E301 PolarHBondContact N-OE2 3.03Å; Q236-E301 VanDerWaalsContact N-OE2 3.12Å
237	L	91.1	Very high	83	Confident	4 Å²	4	44.7 Å²	44.7	2%	0.021	24%	0.238	C	C	.	.			trans	-133.3	125	178.8	-167.1	66.7	0	0	0	108.9	F228 T234 A259 C260 I265 L269 L298 K299 L308	F228-L237 HydrophobicContact CZ-CD2 4Å; T234-L237 HydrophobicContact CG2-CD1 4.35Å; L237-A259 HydrophobicContact CB-CB 4.01Å; L237-A259 HydrophobicContact CD2-CB 3.75Å; L237-A259 HydrophobicContact CG-CB 3.65Å; L237-A259 WeakPolarHBondContact O-CB 3.39Å; L237-A259 PolarHBondContact O-N 2.9Å; L237-C260 PolarHBondContact N-SG 3.46Å; L237-I265 HydrophobicContact CD2-CD1 3.63Å; L237-I265 HydrophobicContact CD2-CG2 4.06Å; L237-L269 HydrophobicContact CD2-CD1 4.12Å; L237-L298 HydrophobicContact CD1-CB 3.96Å; L237-L298 HydrophobicContact CG-CB 4.46Å; L237-K299 CarbonylContact C-O 3.59Å; L237-K299 WeakPolarHBondContact CA-O 3.26Å; L237-L308 HydrophobicContact CD1-CD1 3.17Å; L237-L308 HydrophobicContact CD1-CG 4.41Å
238	K	91.6	Very high	81.9	Confident	119 Å²	119	44.3 Å²	44.3	52%	0.517	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	126.2	-179.7	-175.8	179.7	-179.7	179.5	0	110.9	V240 P257 L298 K299	K238-V240 HydrophobicContact CD-CG2 4.35Å; K238-V240 HydrophobicContact CG-CG2 4.24Å; K238-P257 CarbonylContact C-O 3.56Å; K238-P257 VanDerWaalsContact CA-O 3.28Å; K238-P257 WeakPolarHBondContact CA-O 3.43Å; K238-P257 HydrophobicContact CG-CB 4.5Å; K238-L298 CarbonylContact O-C 3.57Å; K238-L298 WeakPolarHBondContact O-CA 3.45Å; K238-K299 PolarHBondContact N-O 2.58Å; K238-K299 PolarHBondContact O-N 2.7Å
239	A	91.5	Very high	81	Confident	4 Å²	4	45.7 Å²	45.7	3%	0.033	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	130.8	171.2	0	0	0	0	0	111.2	L254 P257 A259 Y277 E297 L298	A239-L254 HydrophobicContact CB-CD1 3.44Å; A239-L254 VanDerWaalsContact CB-CD1 3.44Å; A239-P257 PolarHBondContact N-O 3.36Å; A239-A259 HydrophobicContact CB-CB 4.3Å; A239-Y277 HydrophobicContact CB-CE2 4.32Å; A239-Y277 WeakPolarHBondContact CB-OH 3.11Å; A239-E297 CarbonylContact C-O 3.54Å; A239-E297 WeakPolarHBondContact CA-O 3.31Å; A239-L298 HydrophobicContact CB-CD2 3.99Å
240	V	88.2	Confident	80.5	Confident	31 Å²	31	46.4 Å²	46.4	19%	0.188	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	124.9	177.4	-178.5	0	0	0	0	108.4	K238 H242 E297 K299	K238-V240 HydrophobicContact CD-CG2 4.35Å; K238-V240 HydrophobicContact CG-CG2 4.24Å; V240-H242 VanDerWaalsContact CG1-CE1 3.44Å; V240-H242 WeakPolarHBondContact CG1-CE1 3.15Å; V240-E297 HydrophobicContact CB-CB 4.32Å; V240-E297 PolarHBondContact N-O 2.95Å; V240-E297 PolarHBondContact O-N 2.81Å; V240-K299 HydrophobicContact CG2-CD 4.15Å; V240-K299 HydrophobicContact CG2-CG 4.49Å
241	V	87.8	Confident	80.2	Confident	8 Å²	8	49.4 Å²	49.4	5%	0.048	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	136.7	-175	-173.8	0	0	0	0	109.9	F252 L254 I294 R295 W296	V241-F252 HydrophobicContact CB-CB 4.03Å; V241-F252 HydrophobicContact CB-CD1 4.48Å; V241-F252 HydrophobicContact CG1-CB 3.82Å; V241-F252 HydrophobicContact CG1-CD1 4.3Å; V241-F252 HydrophobicContact CG1-CG 4.32Å; V241-F252 PolarHBondContact O-N 3.3Å; V241-L254 HydrophobicContact CG2-CD1 3.64Å; V241-L254 HydrophobicContact CG2-CD2 3.92Å; V241-L254 HydrophobicContact CG2-CG 3.88Å; V241-I294 HydrophobicContact CG1-CG2 3.86Å; V241-R295 CarbonylContact C-O 3.52Å; V241-R295 WeakPolarHBondContact CA-O 3.39Å; V241-W296 HydrophobicContact CB-CE3 4.34Å; V241-W296 HydrophobicContact CG1-CD2 4.4Å; V241-W296 HydrophobicContact CG1-CE3 3.82Å; V241-W296 HydrophobicContact CG1-CZ3 4.14Å; V241-W296 HydrophobicContact CG2-CD2 3.35Å; V241-W296 VanDerWaalsContact CG2-CE2 3.49Å; V241-W296 HydrophobicContact CG2-CE3 3.48Å; V241-W296 VanDerWaalsContact CG2-CE3 3.48Å; V241-W296 HydrophobicContact CG2-CG 3.91Å; V241-W296 HydrophobicContact CG2-CH2 3.9Å; V241-W296 HydrophobicContact CG2-CZ2 3.76Å; V241-W296 HydrophobicContact CG2-CZ3 3.76Å
242	H	81.4	Confident	80.3	Confident	39 Å²	39	47.8 Å²	47.8	18%	0.181	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	135.3	172.3	-60.8	89.2	0	0	0	110.2	V240 I244 P249 V250 I294 R295	V240-H242 VanDerWaalsContact CG1-CE1 3.44Å; V240-H242 WeakPolarHBondContact CG1-CE1 3.15Å; H242-I244 HydrophobicContact CB-CD1 3.92Å; H242-P249 HydrophobicContact CB-CB 4.01Å; H242-V250 CarbonylContact C-O 3.55Å; H242-V250 WeakPolarHBondContact CA-O 3.37Å; H242-I294 CarbonylContact O-C 3.53Å; H242-I294 WeakPolarHBondContact O-CA 3.45Å; H242-R295 HydrophobicContact CB-CB 4.44Å; H242-R295 PolarHBondContact N-O 3.01Å; H242-R295 PolarHBondContact O-N 3.17Å
243	G	78.4	Confident	80.3	Confident	11 Å²	11	50 Å²	50	11%	0.113	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	122.8	160.4	0	0	0	0	0	109.4	V250 L293	G243-V250 PolarHBondContact N-O 2.68Å; G243-V250 WeakPolarHBondContact O-CB 3.09Å; G243-V250 PolarHBondContact O-N 2.82Å; G243-L293 CarbonylContact C-O 3.56Å
244	I	67.7	Low	80.2	Confident	17 Å²	17	44.9 Å²	44.9	9%	0.087	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	105.7	179.2	-44	-48.4	0	0	0	108.4	I166 H242 I248 P249 L292 L293 R295	I166-I244 HydrophobicContact CD1-CD1 3.31Å; I166-I244 HydrophobicContact CD1-CG1 3.91Å; I166-I244 HydrophobicContact CD1-CG2 4.07Å; H242-I244 HydrophobicContact CB-CD1 3.92Å; I244-I248 CarbonylContact C-O 3.49Å; I244-I248 VanDerWaalsContact CA-O 3.23Å; I244-I248 WeakPolarHBondContact CA-O 3.4Å; I244-P249 HydrophobicContact CD1-CB 3.66Å; I244-L292 WeakPolarHBondContact O-CB 3.39Å; I244-L293 HydrophobicContact CB-CB 4.02Å; I244-L293 WeakPolarHBondContact CB-O 3.37Å; I244-L293 HydrophobicContact CG1-CB 4.14Å; I244-L293 WeakPolarHBondContact CG1-O 3.15Å; I244-L293 PolarHBondContact N-O 3.4Å; I244-L293 PolarHBondContact O-N 2.8Å; I244-R295 HydrophobicContact CD1-CB 4.25Å; I244-R295 HydrophobicContact CG1-CB 4.47Å
245	V	66.2	Low	80.2	Confident	37 Å²	37	49.9 Å²	49.9	22%	0.224	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	115.2	180	-177.6	0	0	0	0	107.9	G247 I248 V250 I290 L292	V245-G247 VanDerWaalsContact C-N 3.3Å; V245-G247 PolarHBondContact O-N 2.96Å; V245-I248 PolarHBondContact N-O 2.84Å; V245-I248 WeakPolarHBondContact O-CB 3.31Å; V245-I248 PolarHBondContact O-N 3.42Å; V245-V250 HydrophobicContact CG2-CG2 4.41Å; V245-I290 HydrophobicContact CG1-CD1 4.1Å; V245-I290 HydrophobicContact CG2-CD1 3.89Å; V245-L292 HydrophobicContact CG2-CB 4.32Å
246	K	60.8	Low	80.1	Confident	144 Å²	144	48.2 Å²	48.2	63%	0.626	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.5	46.7	-176.5	-57.2	175.4	175	-178.6	0	112.8	D43 I248	D43-K246 IonicContact OD1-NZ 3.49Å; K246-I248 PolarHBondContact O-N 3.31Å
247	G	61.8	Low	80.2	Confident	27 Å²	27	44.9 Å²	44.9	28%	0.278	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.6	-13.4	-178.4	0	0	0	0	0	115.6	V245	V245-G247 VanDerWaalsContact C-N 3.3Å; V245-G247 PolarHBondContact O-N 2.96Å
248	I	63.8	Low	80.4	Confident	9 Å²	9	46.9 Å²	46.9	5%	0.046	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	125.1	178.4	-71.8	-173.6	0	0	0	111.8	P44 P53 I244 V245 K246 V250	P44-I248 HydrophobicContact CB-CD1 3.38Å; P44-I248 HydrophobicContact CB-CG1 4.09Å; P44-I248 HydrophobicContact CG-CD1 3.47Å; P44-I248 VanDerWaalsContact CG-CD1 3.47Å; P44-I248 HydrophobicContact CG-CG1 3.95Å; P44-I248 WeakPolarHBondContact O-CD1 3.47Å; P53-I248 HydrophobicContact CG-CB 4.27Å; P53-I248 HydrophobicContact CG-CD1 4.09Å; P53-I248 HydrophobicContact CG-CG1 4.14Å; P53-I248 HydrophobicContact CG-CG2 3.35Å; I244-I248 CarbonylContact C-O 3.49Å; I244-I248 VanDerWaalsContact CA-O 3.23Å; I244-I248 WeakPolarHBondContact CA-O 3.4Å; V245-I248 PolarHBondContact N-O 2.84Å; V245-I248 WeakPolarHBondContact O-CB 3.31Å; V245-I248 PolarHBondContact O-N 3.42Å; K246-I248 PolarHBondContact O-N 3.31Å; I248-V250 HydrophobicContact CG2-CG2 4.05Å; I248-V250 PolarHBondContact O-N 2.67Å
249	P	68.2	Low	80.4	Confident	29 Å²	29	41.2 Å²	41.2	19%	0.188	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	112.4	166.2	27.2	-28.9	0	0	0	111.8	I163 I166 H242 I244	I163-P249 HydrophobicContact CD1-CG 3.79Å; I166-P249 HydrophobicContact CD1-CB 3.91Å; I166-P249 HydrophobicContact CD1-CG 3.98Å; H242-P249 HydrophobicContact CB-CB 4.01Å; I244-P249 HydrophobicContact CD1-CB 3.66Å
250	V	73.5	Confident	80.5	Confident	36 Å²	36	42.4 Å²	42.4	22%	0.218	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	119.5	170	-176.8	0	0	0	0	108.7	D47 H242 G243 V245 I248 F252	D47-V250 WeakPolarHBondContact OD2-CG1 3.29Å; H242-V250 CarbonylContact C-O 3.55Å; H242-V250 WeakPolarHBondContact CA-O 3.37Å; G243-V250 PolarHBondContact N-O 2.68Å; G243-V250 WeakPolarHBondContact O-CB 3.09Å; G243-V250 PolarHBondContact O-N 2.82Å; V245-V250 HydrophobicContact CG2-CG2 4.41Å; I248-V250 HydrophobicContact CG2-CG2 4.05Å; I248-V250 PolarHBondContact O-N 2.67Å; V250-F252 PolarHBondContact O-N 2.78Å
251	P	82.4	Confident	80.8	Confident	63 Å²	63	46.6 Å²	46.6	41%	0.409	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	133.8	177.8	-24.4	34.2	0	0	0	112.1	F50	F50-P251 HydrophobicContact CE1-CG 4.18Å
252	F	85.4	Confident	80.9	Confident	49 Å²	49	53.3 Å²	53.3	22%	0.215	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	114.6	173	-174.3	-85.7	0	0	0	109.2	V241 V250 L254 F281 E282 Y287	V241-F252 HydrophobicContact CB-CB 4.03Å; V241-F252 HydrophobicContact CB-CD1 4.48Å; V241-F252 HydrophobicContact CG1-CB 3.82Å; V241-F252 HydrophobicContact CG1-CD1 4.3Å; V241-F252 HydrophobicContact CG1-CG 4.32Å; V241-F252 PolarHBondContact O-N 3.3Å; V250-F252 PolarHBondContact O-N 2.78Å; F252-L254 HydrophobicContact CD1-CD2 4.18Å; F252-L254 HydrophobicContact CE1-CD2 4.3Å; F252-L254 PolarHBondContact O-N 2.9Å; F252-F281 HydrophobicContact CE1-CB 3.96Å; F252-F281 HydrophobicContact CE1-CD2 4.37Å; F252-F281 HydrophobicContact CZ-CB 4.41Å; F252-F281 HydrophobicContact CZ-CD2 4.24Å; F252-E282 WeakPolarHBondContact CZ-O 3.39Å; F252-Y287 AromaticContact CE2-CE2 3.8Å; F252-Y287 HydrophobicContact CE2-CE2 3.8Å; F252-Y287 HydrophobicContact CZ-CE2 4.48Å
253	P	85.7	Confident	81.4	Confident	94 Å²	94	51.5 Å²	51.5	61%	0.61	29%	0.293	S	S	*	.			trans	-72	123.8	-178.7	28.7	-32.7	0	0	0	110.6
254	L	89	Confident	82	Confident	22 Å²	22	54.5 Å²	54.5	12%	0.115	32%	0.324	C	S	.	.			trans	-86.3	149.7	172	-67.1	176.5	0	0	0	111.1	A239 V241 F252 N256 F281 W296	A239-L254 HydrophobicContact CB-CD1 3.44Å; A239-L254 VanDerWaalsContact CB-CD1 3.44Å; V241-L254 HydrophobicContact CG2-CD1 3.64Å; V241-L254 HydrophobicContact CG2-CD2 3.92Å; V241-L254 HydrophobicContact CG2-CG 3.88Å; F252-L254 HydrophobicContact CD1-CD2 4.18Å; F252-L254 HydrophobicContact CE1-CD2 4.3Å; F252-L254 PolarHBondContact O-N 2.9Å; L254-N256 PolarHBondContact O-N 3.4Å; L254-F281 HydrophobicContact CD2-CB 4.3Å; L254-W296 HydrophobicContact CD1-CH2 4.37Å; L254-W296 HydrophobicContact CD1-CZ2 3.84Å; L254-W296 HydrophobicContact CD2-CH2 3.47Å; L254-W296 VanDerWaalsContact CD2-CH2 3.47Å; L254-W296 HydrophobicContact CD2-CZ2 3.81Å; L254-W296 HydrophobicContact CD2-CZ3 4.26Å; L254-W296 HydrophobicContact CG-CZ2 4.48Å
255	P	87.2	Confident	83.2	Confident	104 Å²	104	54.1 Å²	54.1	68%	0.675	32%	0.322	S	S	*	.	S	Bend	trans	-55	-39.3	173.7	-24.8	33.5	0	0	0	112.8
256	N	90.6	Very high	84.4	Confident	35 Å²	35	58 Å²	58	19%	0.187	35%	0.346	C	S	.	.			trans	-140.8	112.9	172.8	-175	2.5	0	0	0	109.3	L254 D258 K261 D262 Q279	L254-N256 PolarHBondContact O-N 3.4Å; N256-D258 VanDerWaalsContact C-N 3.33Å; N256-D258 WeakPolarHBondContact OD1-CB 3.36Å; N256-D258 PolarHBondContact OD1-N 2.88Å; N256-K261 WeakPolarHBondContact ND2-CB 3.34Å; N256-D262 PolarHBondContact ND2-OD2 3.39Å; N256-Q279 PolarHBondContact O-NE2 3.11Å; N256-Q279 PolarHBondContact O-OE1 3.32Å
257	P	92.6	Very high	86	Confident	60 Å²	60	52.6 Å²	52.6	39%	0.39	33%	0.326	S	S	.	.			trans	-80.3	-11.5	175.9	32.3	-35	0	0	0	113.3	K238 A239 A259	K238-P257 CarbonylContact C-O 3.56Å; K238-P257 VanDerWaalsContact CA-O 3.28Å; K238-P257 WeakPolarHBondContact CA-O 3.43Å; K238-P257 HydrophobicContact CG-CB 4.5Å; A239-P257 PolarHBondContact N-O 3.36Å; P257-A259 PolarHBondContact O-N 2.87Å
258	D	93.7	Very high	87.5	Confident	47 Å²	47	55.2 Å²	55.2	25%	0.251	34%	0.338	S	S	.	.	B	Isolated β-bridge	trans	-76.7	100	173.4	-176.9	-5.9	0	0	0	108.9	N256 C260 K261	N256-D258 VanDerWaalsContact C-N 3.33Å; N256-D258 WeakPolarHBondContact OD1-CB 3.36Å; N256-D258 PolarHBondContact OD1-N 2.88Å; D258-C260 PolarHBondContact O-N 2.89Å; D258-C260 VanDerWaalsContact OD1-CB 3.26Å; D258-C260 WeakPolarHBondContact OD1-CB 3.49Å; D258-C260 PolarHBondContact OD1-N 2.48Å; D258-K261 PolarHBondContact O-N 2.8Å; D258-K261 VanDerWaalsContact O-N 3.08Å; D258-K261 VanDerWaalsContact O-O 3.04Å; D258-K261 WeakPolarHBondContact OD2-CD 3.3Å; D258-K261 WeakPolarHBondContact OD2-CE 3.17Å; D258-K261 IonicContact OD2-NZ 2.65Å; D258-K261 PolarHBondContact OD2-NZ 2.89Å
259	A	92.9	Very high	88.8	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	3	-178.5	0	0	0	0	0	112.7	L237 A239 P257 K261 S263 I265 Y277 L298	L237-A259 HydrophobicContact CB-CB 4.01Å; L237-A259 HydrophobicContact CD2-CB 3.75Å; L237-A259 HydrophobicContact CG-CB 3.65Å; L237-A259 WeakPolarHBondContact O-CB 3.39Å; L237-A259 PolarHBondContact O-N 2.9Å; A239-A259 HydrophobicContact CB-CB 4.3Å; P257-A259 PolarHBondContact O-N 2.87Å; A259-K261 VanDerWaalsContact C-N 3.31Å; A259-S263 WeakPolarHBondContact O-CB 2.95Å; A259-S263 PolarHBondContact O-OG 2.75Å; A259-I265 WeakPolarHBondContact O-CB 3.34Å; A259-Y277 HydrophobicContact CB-CD2 3.98Å; A259-Y277 HydrophobicContact CB-CE2 3.62Å; A259-L298 HydrophobicContact CB-CD2 4.21Å
260	C	94.1	Very high	89.9	Confident	28 Å²	28	57.7 Å²	57.7	19%	0.189	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88	1.2	165.1	-55.5	0	0	0	0	112.6	L237 D258 I265 C267	L237-C260 PolarHBondContact N-SG 3.46Å; D258-C260 PolarHBondContact O-N 2.89Å; D258-C260 VanDerWaalsContact OD1-CB 3.26Å; D258-C260 WeakPolarHBondContact OD1-CB 3.49Å; D258-C260 PolarHBondContact OD1-N 2.48Å; C260-I265 CarbonylContact C-O 3.5Å; C260-I265 VanDerWaalsContact C-O 3.29Å; C260-I265 VanDerWaalsContact O-O 3.1Å; C260-C267 HydrophobicContact CB-CB 3.66Å; C260-C267 WeakPolarHBondContact CB-SG 3.27Å; C260-C267 WeakPolarHBondContact SG-CB 3.11Å; C260-C267 CovalentContact SG-SG 2.03Å; C260-C267 PolarHBondContact SG-SG 3.49Å
261	K	93	Very high	90.7	Very high	120 Å²	120	57.3 Å²	57.3	52%	0.522	36%	0.358	S	S	.	.	S	Bend	trans	-131.9	138.1	-178.7	-68	-179.1	-174	126.7	0	110.2	N256 D258 A259 S263	N256-K261 WeakPolarHBondContact ND2-CB 3.34Å; D258-K261 PolarHBondContact O-N 2.8Å; D258-K261 VanDerWaalsContact O-N 3.08Å; D258-K261 VanDerWaalsContact O-O 3.04Å; D258-K261 WeakPolarHBondContact OD2-CD 3.3Å; D258-K261 WeakPolarHBondContact OD2-CE 3.17Å; D258-K261 IonicContact OD2-NZ 2.65Å; D258-K261 PolarHBondContact OD2-NZ 2.89Å; A259-K261 VanDerWaalsContact C-N 3.31Å; K261-S263 PolarHBondContact O-N 3.22Å
262	D	90	Very high	90.9	Very high	148 Å²	148	62.5 Å²	62.5	79%	0.791	37%	0.374	S	S	*	.	S	Bend	trans	54.6	22.8	174	-46.8	-49	0	0	0	115.2	N256	N256-D262 PolarHBondContact ND2-OD2 3.39Å
263	S	92.1	Very high	91.2	Very high	2 Å²	2	64 Å²	64	1%	0.014	39%	0.387	C	S	.	.	S	Bend	trans	-121.1	2.2	-171.4	65.6	0	0	0	0	114.4	A259 K261 I265 E278	A259-S263 WeakPolarHBondContact O-CB 2.95Å; A259-S263 PolarHBondContact O-OG 2.75Å; K261-S263 PolarHBondContact O-N 3.22Å; S263-I265 PolarHBondContact O-N 2.97Å; S263-I265 PolarHBondContact OG-N 2.9Å; S263-E278 CarbonylContact C-O 3.39Å; S263-E278 WeakPolarHBondContact CA-O 2.92Å; S263-E278 PolarHBondContact O-N 2.73Å
264	G	90.4	Very high	91.5	Very high	74 Å²	74	64.1 Å²	64.1	76%	0.763	39%	0.388	S	S	*	.	S	Bend	trans	77.1	-4.9	-167.4	0	0	0	0	0	114.9
265	I	92.9	Very high	91.6	Very high	9 Å²	9	63.7 Å²	63.7	5%	0.046	39%	0.388	C	S	.	.			trans	-104.8	131.3	178.8	-69.7	177.1	0	0	0	111	F228 L237 A259 C260 S263 L269 A275 L276 Y277	F228-I265 HydrophobicContact CE1-CD1 3.63Å; F228-I265 HydrophobicContact CZ-CD1 3.86Å; L237-I265 HydrophobicContact CD2-CD1 3.63Å; L237-I265 HydrophobicContact CD2-CG2 4.06Å; A259-I265 WeakPolarHBondContact O-CB 3.34Å; C260-I265 CarbonylContact C-O 3.5Å; C260-I265 VanDerWaalsContact C-O 3.29Å; C260-I265 VanDerWaalsContact O-O 3.1Å; S263-I265 PolarHBondContact O-N 2.97Å; S263-I265 PolarHBondContact OG-N 2.9Å; I265-L269 HydrophobicContact CG2-CD1 4Å; I265-L269 HydrophobicContact CG2-CD2 3.85Å; I265-L269 HydrophobicContact CG2-CG 4.01Å; I265-A275 HydrophobicContact CD1-CB 4.35Å; I265-L276 WeakPolarHBondContact CG1-O 3.44Å; I265-Y277 HydrophobicContact CD1-CD2 4.22Å; I265-Y277 HydrophobicContact CD1-CG 4.45Å
266	T	93.2	Very high	91.9	Very high	119 Å²	119	62.8 Å²	62.8	73%	0.73	38%	0.377	S	S	*	.			trans	-110.7	120.4	170.1	-56.2	0	0	0	0	109.1
267	C	93.4	Very high	92.1	Very high	30 Å²	30	61.1 Å²	61.1	20%	0.203	37%	0.368	C	S	.	.	S	Bend	trans	-86.6	148.9	175.7	-62.2	0	0	0	0	111.3	T235 C260	T235-C267 WeakPolarHBondContact O-CB 3.29Å; C260-C267 HydrophobicContact CB-CB 3.66Å; C260-C267 WeakPolarHBondContact CB-SG 3.27Å; C260-C267 WeakPolarHBondContact SG-CB 3.11Å; C260-C267 CovalentContact SG-SG 2.03Å; C260-C267 PolarHBondContact SG-SG 3.49Å
268	P	93.7	Very high	92.1	Very high	81 Å²	81	61.6 Å²	61.6	53%	0.526	37%	0.365	S	S	.	.	S	Bend	cis	-78.8	142.1	5.8	32.2	-35.3	0	0	0	113.5	T234 T235	T234-P268 CarbonylContact O-C 3.54Å; T234-P268 VanDerWaalsContact O-CA 3.28Å; T234-P268 WeakPolarHBondContact O-CA 3.4Å; T235-P268 HydrophobicContact CG2-CB 4.39Å
269	L	91.2	Very high	92.1	Very high	21 Å²	21	60.2 Å²	60.2	11%	0.11	36%	0.357	C	S	.	.	B	Isolated β-bridge	trans	-82.5	132.7	170.2	-69.3	175	0	0	0	110.2	F228 P230 Q233 T234 L237 I265 A275	F228-L269 HydrophobicContact CE2-CD1 4.25Å; F228-L269 HydrophobicContact CZ-CD1 3.92Å; P230-L269 HydrophobicContact CG-CB 4.33Å; Q233-L269 WeakPolarHBondContact CA-O 3.39Å; T234-L269 PolarHBondContact N-O 2.92Å; T234-L269 PolarHBondContact O-N 3.25Å; L237-L269 HydrophobicContact CD2-CD1 4.12Å; I265-L269 HydrophobicContact CG2-CD1 4Å; I265-L269 HydrophobicContact CG2-CD2 3.85Å; I265-L269 HydrophobicContact CG2-CG 4.01Å; L269-A275 HydrophobicContact CD1-CB 4.38Å; L269-A275 HydrophobicContact CD2-CB 3.96Å
270	S	91.5	Very high	92.1	Very high	70 Å²	70	62.5 Å²	62.5	49%	0.49	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-73.9	133.9	171	-63.4	0	0	0	0	110.8	V273	S270-V273 PolarHBondContact O-N 3.01Å
271	G	89.2	Confident	91.9	Very high	27 Å²	27	61.6 Å²	61.6	28%	0.278	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	144.6	171.5	0	0	0	0	0	111.4	S232 V273	S232-G271 VanDerWaalsContact C-CA 3.41Å; S232-G271 WeakPolarHBondContact O-CA 3.46Å; G271-V273 PolarHBondContact O-N 2.75Å
272	K	87.5	Confident	91.8	Very high	172 Å²	172	60.6 Å²	60.6	75%	0.748	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.5	12.6	-179	-51.5	-179.8	-179.8	-178.4	0	115.3	P230	P230-K272 WeakPolarHBondContact O-CA 3.46Å; P230-K272 PolarHBondContact O-N 3.07Å
273	V	91.7	Very high	91.8	Very high	80 Å²	80	54.4 Å²	54.4	49%	0.485	33%	0.333	S	S	.	.			trans	-106.1	123.2	175	-180	0	0	0	0	109.4	P230 S270 G271	P230-V273 VanDerWaalsContact CD-O 3.28Å; P230-V273 WeakPolarHBondContact CD-O 3.42Å; S270-V273 PolarHBondContact O-N 3.01Å; G271-V273 PolarHBondContact O-N 2.75Å
274	P	91.8	Very high	91.6	Very high	97 Å²	97	58.2 Å²	58.2	63%	0.63	35%	0.349	S	S	*	.			trans	-58.9	140.9	177.7	-23.9	33.3	0	0	0	112.8	F228	F228-P274 CarbonylContact O-C 3.41Å; F228-P274 WeakPolarHBondContact O-CA 2.99Å
275	A	91.7	Very high	91.5	Very high	14 Å²	14	59.1 Å²	59.1	12%	0.116	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	152	176.2	0	0	0	0	0	110.1	F228 I265 L269	F228-A275 HydrophobicContact CE1-CB 4.08Å; F228-A275 HydrophobicContact CZ-CB 4.07Å; F228-A275 PolarHBondContact N-O 2.93Å; F228-A275 PolarHBondContact O-N 3.19Å; F228-A275 VanDerWaalsContact O-O 3.11Å; I265-A275 HydrophobicContact CD1-CB 4.35Å; L269-A275 HydrophobicContact CD1-CB 4.38Å; L269-A275 HydrophobicContact CD2-CB 3.96Å
276	L	93.3	Very high	91.1	Very high	84 Å²	84	63.5 Å²	63.5	44%	0.44	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	113.4	176.4	-178.3	64.7	0	0	0	108.9	R225 A227 I265	R225-L276 HydrophobicContact CB-CD1 4.18Å; A227-L276 HydrophobicContact CB-CD1 4.13Å; I265-L276 WeakPolarHBondContact CG1-O 3.44Å
277	Y	93.4	Very high	90.6	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	131.5	170.9	171.5	-100.3	0	0	0	109.6	I224 R225 I226 A239 A259 I265 Q279 W296 L298	I224-Y277 HydrophobicContact CG2-CE1 4.3Å; R225-Y277 CarbonylContact C-O 3.38Å; R225-Y277 WeakPolarHBondContact CA-O 3.26Å; I226-Y277 HydrophobicContact CB-CD1 4.23Å; I226-Y277 HydrophobicContact CD1-CD1 3.95Å; I226-Y277 HydrophobicContact CD1-CE1 4.3Å; I226-Y277 HydrophobicContact CG1-CD1 4.1Å; I226-Y277 PolarHBondContact N-O 2.83Å; I226-Y277 PolarHBondContact O-N 3.14Å; A239-Y277 HydrophobicContact CB-CE2 4.32Å; A239-Y277 WeakPolarHBondContact CB-OH 3.11Å; A259-Y277 HydrophobicContact CB-CD2 3.98Å; A259-Y277 HydrophobicContact CB-CE2 3.62Å; I265-Y277 HydrophobicContact CD1-CD2 4.22Å; I265-Y277 HydrophobicContact CD1-CG 4.45Å; Y277-Q279 HydrophobicContact CE1-CB 4.15Å; Y277-Q279 HydrophobicContact CE2-CB 4.44Å; Y277-Q279 PolarHBondContact OH-OE1 2.62Å; Y277-W296 AromaticContact CE1-CE2 3.65Å; Y277-W296 AromaticContact CE1-CZ2 3.74Å; Y277-W296 HydrophobicContact CE1-CZ2 3.74Å; Y277-W296 AromaticContact CE1-NE1 3.25Å; Y277-W296 AromaticContact CZ-CZ2 3.94Å; Y277-W296 AromaticContact CZ-NE1 3.67Å; Y277-W296 WeakPolarHBondContact OH-CZ2 3.36Å; Y277-W296 PolarHBondContact OH-NE1 3.29Å; Y277-L298 HydrophobicContact CD1-CD1 4.38Å; Y277-L298 HydrophobicContact CD1-CD2 4.15Å; Y277-L298 HydrophobicContact CD2-CD1 4.48Å; Y277-L298 HydrophobicContact CD2-CD2 3.95Å; Y277-L298 HydrophobicContact CE1-CD2 4.09Å; Y277-L298 HydrophobicContact CE2-CD2 3.91Å; Y277-L298 HydrophobicContact CG-CD1 4.02Å; Y277-L298 HydrophobicContact CG-CD2 4.03Å
278	E	93.9	Very high	89.8	Confident	71 Å²	71	64 Å²	64	33%	0.332	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	127.3	177.7	177.9	162.3	173.8	0	0	110.5	T223 I224 R225 S263	T223-E278 HydrophobicContact CG2-CG 3.71Å; I224-E278 WeakPolarHBondContact O-CA 3.39Å; R225-E278 WeakPolarHBondContact CD-OE2 3.43Å; R225-E278 HydrophobicContact CG-CB 4.18Å; R225-E278 HydrophobicContact CG-CG 3.96Å; R225-E278 IonicContact CZ-OE1 3.27Å; R225-E278 IonicContact CZ-OE2 2.81Å; R225-E278 IonicContact NE-OE1 2.74Å; R225-E278 PolarHBondContact NE-OE1 2.67Å; R225-E278 IonicContact NE-OE2 3.44Å; R225-E278 PolarHBondContact NE-OE2 2.9Å; R225-E278 IonicContact NH2-OE1 2.85Å; R225-E278 PolarHBondContact NH2-OE1 2.92Å; R225-E278 IonicContact NH2-OE2 2.8Å; S263-E278 CarbonylContact C-O 3.39Å; S263-E278 WeakPolarHBondContact CA-O 2.92Å; S263-E278 PolarHBondContact O-N 2.73Å
279	Q	92.8	Very high	89	Confident	17 Å²	17	65 Å²	65	8%	0.079	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	137	174.5	-173.7	162.8	20.9	0	0	112	I224 N256 Y277 W296	I224-Q279 WeakPolarHBondContact CG2-O 3.38Å; I224-Q279 PolarHBondContact N-O 2.7Å; I224-Q279 PolarHBondContact O-N 3.46Å; N256-Q279 PolarHBondContact O-NE2 3.11Å; N256-Q279 PolarHBondContact O-OE1 3.32Å; Y277-Q279 HydrophobicContact CE1-CB 4.15Å; Y277-Q279 HydrophobicContact CE2-CB 4.44Å; Y277-Q279 PolarHBondContact OH-OE1 2.62Å; Q279-W296 HydrophobicContact CB-CZ2 4.42Å
280	A	92.7	Very high	88.1	Confident	48 Å²	48	67.6 Å²	67.6	40%	0.397	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	140.4	167.7	0	0	0	0	0	110.9	P222	P222-A280 WeakPolarHBondContact O-CA 3.04Å
281	F	90.1	Very high	87.1	Confident	10 Å²	10	66.1 Å²	66.1	4%	0.044	39%	0.391	C	S	.	.			trans	-133	143.3	177.8	62.9	-84.9	0	0	0	111.1	V205 L216 S221 P222 I224 F252 L254 V283 W296	V205-F281 HydrophobicContact CG1-CE1 4.46Å; V205-F281 HydrophobicContact CG1-CZ 4.32Å; L216-F281 HydrophobicContact CD1-CE2 3.78Å; L216-F281 HydrophobicContact CD1-CZ 3.93Å; S221-F281 WeakPolarHBondContact CA-O 3.5Å; P222-F281 HydrophobicContact CB-CE1 3.87Å; P222-F281 HydrophobicContact CB-CE2 4.21Å; P222-F281 HydrophobicContact CB-CZ 3.68Å; P222-F281 VanDerWaalsContact CD-O 3.24Å; P222-F281 WeakPolarHBondContact CD-O 3.47Å; P222-F281 HydrophobicContact CG-CE2 4.23Å; P222-F281 HydrophobicContact CG-CZ 4.17Å; P222-F281 WeakPolarHBondContact O-CD1 3.41Å; P222-F281 PolarHBondContact O-N 3.36Å; I224-F281 HydrophobicContact CB-CE1 4.1Å; I224-F281 HydrophobicContact CG2-CD1 4.34Å; I224-F281 HydrophobicContact CG2-CE1 4.41Å; F252-F281 HydrophobicContact CE1-CB 3.96Å; F252-F281 HydrophobicContact CE1-CD2 4.37Å; F252-F281 HydrophobicContact CZ-CB 4.41Å; F252-F281 HydrophobicContact CZ-CD2 4.24Å; L254-F281 HydrophobicContact CD2-CB 4.3Å; F281-V283 HydrophobicContact CD2-CG2 4.42Å; F281-V283 HydrophobicContact CE2-CG2 4.17Å; F281-W296 HydrophobicContact CB-CH2 4.36Å; F281-W296 HydrophobicContact CD1-CH2 4.03Å; F281-W296 AromaticContact CD1-CZ3 3.89Å; F281-W296 HydrophobicContact CD1-CZ3 3.89Å; F281-W296 HydrophobicContact CE1-CZ3 4.26Å; F281-W296 HydrophobicContact CG-CH2 4.39Å; F281-W296 HydrophobicContact CG-CZ3 4.24Å
282	E	90.7	Very high	86.1	Confident	98 Å²	98	66.7 Å²	66.7	46%	0.458	39%	0.387	S	S	.	.			trans	-92	121.8	-171.3	-170.9	-169.9	-176	0	0	112.2	F252 K284	F252-E282 WeakPolarHBondContact CZ-O 3.39Å; E282-K284 HydrophobicContact CG-CG 4.08Å; E282-K284 PolarHBondContact O-N 3.34Å; E282-K284 VanDerWaalsContact OE2-CE 3.23Å; E282-K284 WeakPolarHBondContact OE2-CE 3.4Å
283	V	89.7	Confident	85.2	Confident	18 Å²	18	61.4 Å²	61.4	11%	0.109	37%	0.367	C	S	.	.	B	Isolated β-bridge	trans	-91.8	88	171.7	-173.7	0	0	0	0	108.2	L216 K218 G219 T220 P222 F281 Y287	L216-V283 HydrophobicContact CB-CG2 4.11Å; L216-V283 HydrophobicContact CD1-CG2 4.33Å; K218-V283 CarbonylContact C-O 3.39Å; K218-V283 WeakPolarHBondContact CA-O 3.29Å; K218-V283 HydrophobicContact CG-CG1 4.46Å; G219-V283 PolarHBondContact N-O 2.82Å; T220-V283 PolarHBondContact O-N 2.83Å; P222-V283 HydrophobicContact CG-CG2 3.79Å; F281-V283 HydrophobicContact CD2-CG2 4.42Å; F281-V283 HydrophobicContact CE2-CG2 4.17Å; V283-Y287 HydrophobicContact CG1-CD2 4.36Å
284	K	87.9	Confident	84.5	Confident	82 Å²	82	58.6 Å²	58.6	36%	0.357	35%	0.349	S	S	.	.			trans	-60.1	143.7	-172.8	-62.3	-175.4	-179.8	-177.3	0	113.1	E282 S286 Y287	E282-K284 HydrophobicContact CG-CG 4.08Å; E282-K284 PolarHBondContact O-N 3.34Å; E282-K284 VanDerWaalsContact OE2-CE 3.23Å; E282-K284 WeakPolarHBondContact OE2-CE 3.4Å; K284-S286 PolarHBondContact O-N 3.28Å; K284-S286 VanDerWaalsContact O-N 3.11Å; K284-Y287 HydrophobicContact CB-CD1 4.06Å; K284-Y287 HydrophobicContact CB-CD2 3.94Å; K284-Y287 HydrophobicContact CB-CE1 3.93Å; K284-Y287 HydrophobicContact CB-CE2 3.76Å; K284-Y287 HydrophobicContact CB-CG 4.08Å; K284-Y287 HydrophobicContact CD-CE1 4.08Å; K284-Y287 HydrophobicContact CG-CE1 4.23Å; K284-Y287 HydrophobicContact CG-CE2 3.91Å; K284-Y287 WeakPolarHBondContact O-CB 3.28Å; K284-Y287 PolarHBondContact O-N 2.79Å
285	S	88.8	Confident	83.7	Confident	93 Å²	93	56.3 Å²	56.3	65%	0.65	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-25.3	174.2	-59.3	0	0	0	0	114	Y287	S285-Y287 VanDerWaalsContact C-N 3.33Å
286	S	85.2	Confident	83.4	Confident	102 Å²	102	55.8 Å²	55.8	71%	0.713	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-10.3	177.4	55.7	0	0	0	0	114.6	K284	K284-S286 PolarHBondContact O-N 3.28Å; K284-S286 VanDerWaalsContact O-N 3.11Å
287	Y	83.5	Confident	83	Confident	68 Å²	68	52.1 Å²	52.1	27%	0.267	30%	0.303	S	S	.	.	S	Bend	trans	-71.6	149.4	-179.8	-65.6	-20.8	0	0	0	112.1	K218 F252 V283 K284 S285	K218-Y287 WeakPolarHBondContact CD-O 3.47Å; K218-Y287 WeakPolarHBondContact CE-O 3.23Å; K218-Y287 PolarHBondContact NZ-O 2.03Å; F252-Y287 AromaticContact CE2-CE2 3.8Å; F252-Y287 HydrophobicContact CE2-CE2 3.8Å; F252-Y287 HydrophobicContact CZ-CE2 4.48Å; V283-Y287 HydrophobicContact CG1-CD2 4.36Å; K284-Y287 HydrophobicContact CB-CD1 4.06Å; K284-Y287 HydrophobicContact CB-CD2 3.94Å; K284-Y287 HydrophobicContact CB-CE1 3.93Å; K284-Y287 HydrophobicContact CB-CE2 3.76Å; K284-Y287 HydrophobicContact CB-CG 4.08Å; K284-Y287 HydrophobicContact CD-CE1 4.08Å; K284-Y287 HydrophobicContact CG-CE1 4.23Å; K284-Y287 HydrophobicContact CG-CE2 3.91Å; K284-Y287 WeakPolarHBondContact O-CB 3.28Å; K284-Y287 PolarHBondContact O-N 2.79Å; S285-Y287 VanDerWaalsContact C-N 3.33Å
288	P	75.8	Confident	82.7	Confident	90 Å²	90	52.1 Å²	52.1	58%	0.584	30%	0.303	S	S	*	.			trans	-69	155.2	175.5	30.3	-35.2	0	0	0	111.4	I290	P288-I290 HydrophobicContact CB-CG2 4.27Å; P288-I290 HydrophobicContact CG-CD1 4.07Å; P288-I290 HydrophobicContact CG-CG1 4.24Å; P288-I290 PolarHBondContact O-N 2.78Å
289	S	77.2	Confident	82.3	Confident	104 Å²	104	50.5 Å²	50.5	73%	0.727	30%	0.295	S	S	*	.			trans	-87.2	100	171	-60	0	0	0	0	108.7	K218	K218-S289 WeakPolarHBondContact CE-OG 3.41Å; K218-S289 PolarHBondContact NZ-OG 2.99Å
290	I	72	Confident	81.9	Confident	74 Å²	74	50.2 Å²	50.2	38%	0.379	29%	0.294	S	S	.	.			trans	-143.4	154.5	-178.3	57.3	172.1	0	0	0	110.4	V245 P288 L292	V245-I290 HydrophobicContact CG1-CD1 4.1Å; V245-I290 HydrophobicContact CG2-CD1 3.89Å; P288-I290 HydrophobicContact CB-CG2 4.27Å; P288-I290 HydrophobicContact CG-CD1 4.07Å; P288-I290 HydrophobicContact CG-CG1 4.24Å; P288-I290 PolarHBondContact O-N 2.78Å; I290-L292 HydrophobicContact CD1-CD2 4.12Å; I290-L292 HydrophobicContact CG1-CD2 3.96Å
291	G	69.3	Low	81.3	Confident	40 Å²	40	51.4 Å²	51.4	41%	0.412	29%	0.291	S	S	.	.			trans	-82.8	135.9	161.5	0	0	0	0	0	110.1	A315	G291-A315 WeakPolarHBondContact CA-O 3.2Å
292	L	68.5	Low	80.2	Confident	39 Å²	39	56.1 Å²	56.1	20%	0.204	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	155.9	-179.7	66.1	106.8	0	0	0	110.5	I244 V245 I290 I294 A315	I244-L292 WeakPolarHBondContact O-CB 3.39Å; V245-L292 HydrophobicContact CG2-CB 4.32Å; I290-L292 HydrophobicContact CD1-CD2 4.12Å; I290-L292 HydrophobicContact CG1-CD2 3.96Å; L292-I294 HydrophobicContact CD1-CG1 3.6Å; L292-A315 PolarHBondContact N-O 2.8Å; L292-A315 PolarHBondContact O-N 2.96Å
293	L	69.9	Low	78.6	Confident	60 Å²	60	57.7 Å²	57.7	31%	0.314	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	127.8	168.4	-64.3	161.5	0	0	0	108.6	G243 I244 Y313 F314	G243-L293 CarbonylContact C-O 3.56Å; I244-L293 HydrophobicContact CB-CB 4.02Å; I244-L293 WeakPolarHBondContact CB-O 3.37Å; I244-L293 HydrophobicContact CG1-CB 4.14Å; I244-L293 WeakPolarHBondContact CG1-O 3.15Å; I244-L293 PolarHBondContact N-O 3.4Å; I244-L293 PolarHBondContact O-N 2.8Å; L293-Y313 CarbonylContact C-O 3.58Å; L293-Y313 VanDerWaalsContact CA-O 3.28Å; L293-Y313 WeakPolarHBondContact CA-O 3.27Å; L293-F314 HydrophobicContact CD2-CB 4.09Å; L293-F314 HydrophobicContact CD2-CD2 3.69Å; L293-F314 HydrophobicContact CD2-CG 4.39Å; L293-F314 HydrophobicContact CG-CD2 4.19Å
294	I	76.8	Confident	76.7	Confident	21 Å²	21	65.3 Å²	65.3	11%	0.108	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	121.7	168.1	-60.3	177.8	0	0	0	107.6	L216 V241 H242 L292 W296 G312 Y313 A315	L216-I294 HydrophobicContact CD1-CD1 4.01Å; V241-I294 HydrophobicContact CG1-CG2 3.86Å; H242-I294 CarbonylContact O-C 3.53Å; H242-I294 WeakPolarHBondContact O-CA 3.45Å; L292-I294 HydrophobicContact CD1-CG1 3.6Å; I294-W296 HydrophobicContact CG2-CE3 4.35Å; I294-G312 CarbonylContact O-C 3.54Å; I294-G312 WeakPolarHBondContact O-CA 3.06Å; I294-Y313 PolarHBondContact N-O 2.91Å; I294-Y313 PolarHBondContact O-N 2.83Å; I294-A315 HydrophobicContact CD1-CB 3.33Å; I294-A315 HydrophobicContact CG1-CB 3.69Å
295	R	75.5	Confident	75	Confident	49 Å²	49	68.1 Å²	68.1	19%	0.185	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	116.2	166.1	-179.5	177.6	175.3	156.4	0.8	108.4	V241 H242 I244 E297 V311	V241-R295 CarbonylContact C-O 3.52Å; V241-R295 WeakPolarHBondContact CA-O 3.39Å; H242-R295 HydrophobicContact CB-CB 4.44Å; H242-R295 PolarHBondContact N-O 3.01Å; H242-R295 PolarHBondContact O-N 3.17Å; I244-R295 HydrophobicContact CD1-CB 4.25Å; I244-R295 HydrophobicContact CG1-CB 4.47Å; R295-E297 HydrophobicContact CG-CG 4.01Å; R295-E297 IonicContact CZ-OE1 3.91Å; R295-E297 VanDerWaalsContact CZ-OE1 3.23Å; R295-E297 VanDerWaalsContact NE-CD 3.26Å; R295-E297 IonicContact NE-OE1 2.67Å; R295-E297 PolarHBondContact NE-OE1 2.82Å; R295-E297 IonicContact NE-OE2 3.73Å; R295-E297 IonicContact NH2-OE1 2.89Å; R295-E297 PolarHBondContact NH2-OE1 2.8Å; R295-V311 CarbonylContact C-O 3.56Å; R295-V311 VanDerWaalsContact CA-O 3.28Å; R295-V311 WeakPolarHBondContact CA-O 3.29Å
296	W	84.9	Confident	73.4	Confident	4 Å²	4	67.8 Å²	67.8	2%	0.015	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	124.9	175	-158.1	-67.2	0	0	0	110	I224 I226 V241 L254 Y277 Q279 F281 I294 A310 V311	I224-W296 HydrophobicContact CB-CZ3 4.4Å; I224-W296 HydrophobicContact CD1-CB 4.38Å; I224-W296 HydrophobicContact CD1-CD2 3.83Å; I224-W296 HydrophobicContact CD1-CE3 3.66Å; I224-W296 HydrophobicContact CD1-CG 4.15Å; I224-W296 HydrophobicContact CD1-CZ3 4.24Å; I224-W296 HydrophobicContact CG2-CD2 4.22Å; I224-W296 HydrophobicContact CG2-CE3 4.05Å; I224-W296 HydrophobicContact CG2-CH2 3.39Å; I224-W296 HydrophobicContact CG2-CZ2 3.59Å; I224-W296 HydrophobicContact CG2-CZ3 3.65Å; I226-W296 HydrophobicContact CD1-CB 4.33Å; I226-W296 VanDerWaalsContact CD1-CD1 3.49Å; I226-W296 HydrophobicContact CD1-CG 3.88Å; V241-W296 HydrophobicContact CB-CE3 4.34Å; V241-W296 HydrophobicContact CG1-CD2 4.4Å; V241-W296 HydrophobicContact CG1-CE3 3.82Å; V241-W296 HydrophobicContact CG1-CZ3 4.14Å; V241-W296 HydrophobicContact CG2-CD2 3.35Å; V241-W296 VanDerWaalsContact CG2-CE2 3.49Å; V241-W296 HydrophobicContact CG2-CE3 3.48Å; V241-W296 VanDerWaalsContact CG2-CE3 3.48Å; V241-W296 HydrophobicContact CG2-CG 3.91Å; V241-W296 HydrophobicContact CG2-CH2 3.9Å; V241-W296 HydrophobicContact CG2-CZ2 3.76Å; V241-W296 HydrophobicContact CG2-CZ3 3.76Å; L254-W296 HydrophobicContact CD1-CH2 4.37Å; L254-W296 HydrophobicContact CD1-CZ2 3.84Å; L254-W296 HydrophobicContact CD2-CH2 3.47Å; L254-W296 VanDerWaalsContact CD2-CH2 3.47Å; L254-W296 HydrophobicContact CD2-CZ2 3.81Å; L254-W296 HydrophobicContact CD2-CZ3 4.26Å; L254-W296 HydrophobicContact CG-CZ2 4.48Å; Y277-W296 AromaticContact CE1-CE2 3.65Å; Y277-W296 AromaticContact CE1-CZ2 3.74Å; Y277-W296 HydrophobicContact CE1-CZ2 3.74Å; Y277-W296 AromaticContact CE1-NE1 3.25Å; Y277-W296 AromaticContact CZ-CZ2 3.94Å; Y277-W296 AromaticContact CZ-NE1 3.67Å; Y277-W296 WeakPolarHBondContact OH-CZ2 3.36Å; Y277-W296 PolarHBondContact OH-NE1 3.29Å; Q279-W296 HydrophobicContact CB-CZ2 4.42Å; F281-W296 HydrophobicContact CB-CH2 4.36Å; F281-W296 HydrophobicContact CD1-CH2 4.03Å; F281-W296 AromaticContact CD1-CZ3 3.89Å; F281-W296 HydrophobicContact CD1-CZ3 3.89Å; F281-W296 HydrophobicContact CE1-CZ3 4.26Å; F281-W296 HydrophobicContact CG-CH2 4.39Å; F281-W296 HydrophobicContact CG-CZ3 4.24Å; I294-W296 HydrophobicContact CG2-CE3 4.35Å; W296-A310 CarbonylContact O-C 3.39Å; W296-A310 VanDerWaalsContact O-CA 3.27Å; W296-A310 WeakPolarHBondContact O-CA 3Å; W296-V311 HydrophobicContact CB-CB 4.36Å; W296-V311 PolarHBondContact N-O 2.84Å; W296-V311 PolarHBondContact O-N 2.86Å
297	E	84.3	Confident	72.2	Confident	6 Å²	6	63 Å²	63	3%	0.028	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	135.8	-177.8	-56.2	-177.2	109.9	0	0	110.4	A239 V240 R295 K299 S307 A309 A310	A239-E297 CarbonylContact C-O 3.54Å; A239-E297 WeakPolarHBondContact CA-O 3.31Å; V240-E297 HydrophobicContact CB-CB 4.32Å; V240-E297 PolarHBondContact N-O 2.95Å; V240-E297 PolarHBondContact O-N 2.81Å; R295-E297 HydrophobicContact CG-CG 4.01Å; R295-E297 IonicContact CZ-OE1 3.91Å; R295-E297 VanDerWaalsContact CZ-OE1 3.23Å; R295-E297 VanDerWaalsContact NE-CD 3.26Å; R295-E297 IonicContact NE-OE1 2.67Å; R295-E297 PolarHBondContact NE-OE1 2.82Å; R295-E297 IonicContact NE-OE2 3.73Å; R295-E297 IonicContact NH2-OE1 2.89Å; R295-E297 PolarHBondContact NH2-OE1 2.8Å; E297-K299 HydrophobicContact CB-CG 4.45Å; E297-K299 IonicContact OE2-NZ 3.72Å; E297-S307 PolarHBondContact OE1-OG 3.28Å; E297-A309 CarbonylContact C-O 3.5Å; E297-A309 WeakPolarHBondContact CA-O 3.11Å; E297-A310 HydrophobicContact CG-CB 4Å
298	L	87.8	Confident	70.6	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	114.7	165.5	-59.9	179.4	0	0	0	107.3	F228 L237 K238 A239 A259 Y277 S307 L308 A309	F228-L298 HydrophobicContact CD1-CD1 3.8Å; F228-L298 HydrophobicContact CE1-CD1 3.43Å; F228-L298 VanDerWaalsContact CE1-CD1 3.43Å; F228-L298 HydrophobicContact CZ-CD1 3.88Å; L237-L298 HydrophobicContact CD1-CB 3.96Å; L237-L298 HydrophobicContact CG-CB 4.46Å; K238-L298 CarbonylContact O-C 3.57Å; K238-L298 WeakPolarHBondContact O-CA 3.45Å; A239-L298 HydrophobicContact CB-CD2 3.99Å; A259-L298 HydrophobicContact CB-CD2 4.21Å; Y277-L298 HydrophobicContact CD1-CD1 4.38Å; Y277-L298 HydrophobicContact CD1-CD2 4.15Å; Y277-L298 HydrophobicContact CD2-CD1 4.48Å; Y277-L298 HydrophobicContact CD2-CD2 3.95Å; Y277-L298 HydrophobicContact CE1-CD2 4.09Å; Y277-L298 HydrophobicContact CE2-CD2 3.91Å; Y277-L298 HydrophobicContact CG-CD1 4.02Å; Y277-L298 HydrophobicContact CG-CD2 4.03Å; L298-S307 CarbonylContact O-C 3.54Å; L298-S307 WeakPolarHBondContact O-CA 3.41Å; L298-S307 WeakPolarHBondContact O-CB 3.48Å; L298-L308 WeakPolarHBondContact O-CB 3.41Å; L298-L308 PolarHBondContact O-N 2.82Å; L298-A309 HydrophobicContact CB-CB 4.26Å; L298-A309 HydrophobicContact CD1-CB 4.17Å; L298-A309 HydrophobicContact CG-CB 4.4Å; L298-A309 PolarHBondContact N-O 3.38Å; L298-A309 PolarHBondContact O-N 3.09Å
299	K	85.6	Confident	69.7	Low	37 Å²	37	55.5 Å²	55.5	16%	0.161	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	141.7	-178.1	-59.7	-169.4	179.2	-167	0	110.6	L237 K238 V240 E297	L237-K299 CarbonylContact C-O 3.59Å; L237-K299 WeakPolarHBondContact CA-O 3.26Å; K238-K299 PolarHBondContact N-O 2.58Å; K238-K299 PolarHBondContact O-N 2.7Å; V240-K299 HydrophobicContact CG2-CD 4.15Å; V240-K299 HydrophobicContact CG2-CG 4.49Å; E297-K299 HydrophobicContact CB-CG 4.45Å; E297-K299 IonicContact OE2-NZ 3.72Å
300	N	83.2	Confident	68.8	Low	11 Å²	11	50.6 Å²	50.6	6%	0.059	26%	0.256	C	S	.	.			trans	-96.2	-172	173.5	62.7	10.8	0	0	0	111.8	T234 Q236 Q302 L308	T234-N300 HydrophobicContact CG2-CB 3.77Å; Q236-N300 VanDerWaalsContact O-CA 3.3Å; Q236-N300 WeakPolarHBondContact O-CA 3.44Å; N300-Q302 PolarHBondContact O-N 2.71Å; N300-Q302 WeakPolarHBondContact OD1-CA 3.21Å; N300-Q302 WeakPolarHBondContact OD1-CB 3.21Å; N300-Q302 PolarHBondContact OD1-N 2.79Å; N300-L308 HydrophobicContact CB-CD1 3.62Å; N300-L308 HydrophobicContact CB-CD2 4.41Å; N300-L308 HydrophobicContact CB-CG 3.87Å
301	E	80.5	Confident	68.1	Low	73 Å²	73	47.1 Å²	47.1	34%	0.341	24%	0.238	S	C	.	.	S	Bend	trans	-62.9	-16.9	173.2	59.9	-94.6	-142	0	0	115	T235 Q236 D303	T235-E301 PolarHBondContact N-OE1 2.04Å; T235-E301 PolarHBondContact N-OE2 2.68Å; T235-E301 PolarHBondContact OG1-OE1 3.43Å; Q236-E301 PolarHBondContact N-OE2 3.03Å; Q236-E301 VanDerWaalsContact N-OE2 3.12Å; E301-D303 PolarHBondContact O-N 3.03Å
302	Q	66.9	Low	67.5	Low	109 Å²	109	45.5 Å²	45.5	51%	0.509	22%	0.222	S	C	.	.			trans	-84.4	67.9	176.2	-60.6	-176.7	-11.7	0	0	108.9	N300 K304	N300-Q302 PolarHBondContact O-N 2.71Å; N300-Q302 WeakPolarHBondContact OD1-CA 3.21Å; N300-Q302 WeakPolarHBondContact OD1-CB 3.21Å; N300-Q302 PolarHBondContact OD1-N 2.79Å; Q302-K304 PolarHBondContact O-N 3.42Å
303	D	56.8	Low	67	Low	132 Å²	132	44 Å²	44	71%	0.706	21%	0.213	S	C	*	.			trans	-65.2	28.6	-169.4	-154	17	0	0	0	115.8	E301 D305	E301-D303 PolarHBondContact O-N 3.03Å; D303-D305 PolarHBondContact O-N 3.05Å
304	K	51	Low	66	Low	178 Å²	178	44.1 Å²	44.1	77%	0.774	21%	0.211	S	C	*	.	S	Bend	trans	-93.9	67.9	177.1	-71.8	-169.3	178.4	-179.3	0	111	Q302 E306	Q302-K304 PolarHBondContact O-N 3.42Å; K304-E306 PolarHBondContact O-N 2.64Å
305	D	51.4	Low	64.8	Low	140 Å²	140	43.3 Å²	43.3	75%	0.749	21%	0.208	S	C	*	.	S	Bend	trans	54.7	-3.3	174.7	-73.5	-29.2	0	0	0	116.8	D303	D303-D305 PolarHBondContact O-N 3.05Å
306	E	55.3	Low	63.6	Low	86 Å²	86	41.5 Å²	41.5	40%	0.402	21%	0.205	S	C	.	.			trans	-88.4	121.2	179.7	-72.2	179.3	-167.8	0	0	109	A196 K304	A196-E306 HydrophobicContact CB-CB 4.41Å; A196-E306 HydrophobicContact CB-CG 3.91Å; K304-E306 PolarHBondContact O-N 2.64Å
307	S	60.5	Low	61.9	Low	1 Å²	1	43.8 Å²	43.8	1%	0.007	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	152.6	170.7	-60.9	0	0	0	0	109	G194 S195 E297 L298 A309	G194-S307 PolarHBondContact O-N 2.96Å; S195-S307 CarbonylContact C-O 3.44Å; S195-S307 WeakPolarHBondContact CA-O 3.16Å; E297-S307 PolarHBondContact OE1-OG 3.28Å; L298-S307 CarbonylContact O-C 3.54Å; L298-S307 WeakPolarHBondContact O-CA 3.41Å; L298-S307 WeakPolarHBondContact O-CB 3.48Å; S307-A309 VanDerWaalsContact C-N 3.32Å
308	L	49.9	Very low	60.8	Low	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	-35.7	162.4	-77.3	169.7	0	0	0	111.6	A197 G198 F228 P230 T234 L237 L298 N300	A197-L308 HydrophobicContact CB-CD2 3.5Å; A197-L308 VanDerWaalsContact CB-CD2 3.5Å; A197-L308 HydrophobicContact CB-CG 4.15Å; A197-L308 WeakPolarHBondContact O-CD2 3.13Å; G198-L308 CarbonylContact C-O 3.56Å; G198-L308 WeakPolarHBondContact CA-O 3.09Å; G198-L308 PolarHBondContact N-O 3.04Å; F228-L308 HydrophobicContact CE2-CB 4.48Å; P230-L308 HydrophobicContact CB-CD2 3.94Å; T234-L308 HydrophobicContact CG2-CD1 3.62Å; L237-L308 HydrophobicContact CD1-CD1 3.17Å; L237-L308 HydrophobicContact CD1-CG 4.41Å; L298-L308 WeakPolarHBondContact O-CB 3.41Å; L298-L308 PolarHBondContact O-N 2.82Å; N300-L308 HydrophobicContact CB-CD1 3.62Å; N300-L308 HydrophobicContact CB-CD2 4.41Å; N300-L308 HydrophobicContact CB-CG 3.87Å
309	A	57.2	Low	59.6	Low	1 Å²	1	48.8 Å²	48.8	1%	0.008	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	127.2	177.4	0	0	0	0	0	107.6	I200 F228 E297 L298 S307	I200-A309 HydrophobicContact CD1-CB 3.67Å; I200-A309 HydrophobicContact CG1-CB 3.64Å; F228-A309 HydrophobicContact CB-CB 4.1Å; F228-A309 HydrophobicContact CD2-CB 4.41Å; F228-A309 HydrophobicContact CG-CB 4.16Å; E297-A309 CarbonylContact C-O 3.5Å; E297-A309 WeakPolarHBondContact CA-O 3.11Å; L298-A309 HydrophobicContact CB-CB 4.26Å; L298-A309 HydrophobicContact CD1-CB 4.17Å; L298-A309 HydrophobicContact CG-CB 4.4Å; L298-A309 PolarHBondContact N-O 3.38Å; L298-A309 PolarHBondContact O-N 3.09Å; S307-A309 VanDerWaalsContact C-N 3.32Å
310	A	56.7	Low	58.8	Low	1 Å²	1	48 Å²	48	1%	0.008	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	133.1	169.8	0	0	0	0	0	109.8	C192 I200 W296 E297	C192-A310 HydrophobicContact CB-CB 3.54Å; C192-A310 WeakPolarHBondContact CB-O 3.16Å; C192-A310 PolarHBondContact N-O 2.92Å; C192-A310 VanDerWaalsContact SG-C 3.58Å; C192-A310 PolarHBondContact SG-O 2.85Å; I200-A310 WeakPolarHBondContact CD1-O 3.37Å; W296-A310 CarbonylContact O-C 3.39Å; W296-A310 VanDerWaalsContact O-CA 3.27Å; W296-A310 WeakPolarHBondContact O-CA 3Å; E297-A310 HydrophobicContact CG-CB 4Å
311	V	59	Low	58.2	Low	1 Å²	1	50.4 Å²	50.4	1%	0.006	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	127.6	-174	179.3	0	0	0	0	108.8	V189 I200 V203 I226 R295 W296	V189-V311 HydrophobicContact CG1-CG1 3.55Å; I200-V311 HydrophobicContact CD1-CG2 3.5Å; V203-V311 HydrophobicContact CB-CG1 4.29Å; V203-V311 HydrophobicContact CG1-CG1 4.06Å; V203-V311 HydrophobicContact CG2-CB 4.23Å; V203-V311 HydrophobicContact CG2-CG1 3.7Å; V203-V311 HydrophobicContact CG2-CG2 3.45Å; V203-V311 VanDerWaalsContact CG2-CG2 3.45Å; I226-V311 HydrophobicContact CD1-CG2 4.13Å; I226-V311 HydrophobicContact CG2-CG2 4.29Å; R295-V311 CarbonylContact C-O 3.56Å; R295-V311 VanDerWaalsContact CA-O 3.28Å; R295-V311 WeakPolarHBondContact CA-O 3.29Å; W296-V311 HydrophobicContact CB-CB 4.36Å; W296-V311 PolarHBondContact N-O 2.84Å; W296-V311 PolarHBondContact O-N 2.86Å
312	G	55.3	Low	57.9	Low	7 Å²	7	50.1 Å²	50.1	7%	0.072	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	129.4	162.7	0	0	0	0	0	110.3	D190 I294	D190-G312 PolarHBondContact N-O 2.99Å; D190-G312 PolarHBondContact O-N 3.21Å; I294-G312 CarbonylContact O-C 3.54Å; I294-G312 WeakPolarHBondContact O-CA 3.06Å
313	Y	57.8	Low	58.5	Low	7 Å²	7	47.8 Å²	47.8	3%	0.027	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	136.4	-178.3	-173.9	-93.3	0	0	0	110	V189 V205 C208 P211 C214 L293 I294 A315	V189-Y313 HydrophobicContact CG2-CD2 4.23Å; V205-Y313 HydrophobicContact CB-CE2 4.31Å; V205-Y313 HydrophobicContact CG2-CD2 4.21Å; V205-Y313 HydrophobicContact CG2-CE1 4.13Å; V205-Y313 HydrophobicContact CG2-CE2 3.69Å; C208-Y313 WeakPolarHBondContact CB-OH 3.07Å; P211-Y313 WeakPolarHBondContact CA-OH 3.28Å; P211-Y313 HydrophobicContact CB-CD2 3.97Å; P211-Y313 HydrophobicContact CB-CE2 3.32Å; P211-Y313 WeakPolarHBondContact O-CE2 3.5Å; C214-Y313 HydrophobicContact CB-CE1 3.3Å; C214-Y313 VanDerWaalsContact CB-CZ 3.42Å; C214-Y313 WeakPolarHBondContact CB-OH 3.35Å; C214-Y313 VanDerWaalsContact SG-CE1 3.51Å; C214-Y313 PolarHBondContact SG-OH 2.95Å; L293-Y313 CarbonylContact C-O 3.58Å; L293-Y313 VanDerWaalsContact CA-O 3.28Å; L293-Y313 WeakPolarHBondContact CA-O 3.27Å; I294-Y313 PolarHBondContact N-O 2.91Å; I294-Y313 PolarHBondContact O-N 2.83Å; Y313-A315 HydrophobicContact CD1-CB 4.24Å; Y313-A315 HydrophobicContact CE1-CB 4.42Å
314	F	50.5	Low	59.7	Low	62 Å²	62	47.8 Å²	47.8	27%	0.272	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	116.5	174.5	-168.1	-94.8	0	0	0	110.1	L293 G316 P318	L293-F314 HydrophobicContact CD2-CB 4.09Å; L293-F314 HydrophobicContact CD2-CD2 3.69Å; L293-F314 HydrophobicContact CD2-CG 4.39Å; L293-F314 HydrophobicContact CG-CD2 4.19Å; F314-G316 VanDerWaalsContact CE1-O 3.23Å; F314-G316 WeakPolarHBondContact CE1-O 3.38Å; F314-P318 HydrophobicContact CE1-CB 4.11Å; F314-P318 HydrophobicContact CE1-CG 4.44Å; F314-P318 HydrophobicContact CZ-CB 4.45Å
315	A	51.1	Low	61.1	Low	4 Å²	4	41.2 Å²	41.2	3%	0.033	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	132	176.5	0	0	0	0	0	111.3	L216 G291 L292 I294 Y313	L216-A315 HydrophobicContact CD1-CB 3.84Å; L216-A315 HydrophobicContact CG-CB 4.31Å; G291-A315 WeakPolarHBondContact CA-O 3.2Å; L292-A315 PolarHBondContact N-O 2.8Å; L292-A315 PolarHBondContact O-N 2.96Å; I294-A315 HydrophobicContact CD1-CB 3.33Å; I294-A315 HydrophobicContact CG1-CB 3.69Å; Y313-A315 HydrophobicContact CD1-CB 4.24Å; Y313-A315 HydrophobicContact CE1-CB 4.42Å
316	G	50.6	Low	62.5	Low	12 Å²	12	37 Å²	37	12%	0.124	22%	0.22	C	C	.	.	S	Bend	trans	108	155.1	-174.5	0	0	0	0	0	111.5	C214 F314 P318	C214-G316 PolarHBondContact O-N 2.91Å; F314-G316 VanDerWaalsContact CE1-O 3.23Å; F314-G316 WeakPolarHBondContact CE1-O 3.38Å; G316-P318 WeakPolarHBondContact O-CD 3.46Å
317	S	49.7	Very low	63.8	Low	52 Å²	52	33.1 Å²	33.1	36%	0.364	20%	0.202	S	C	.	.			trans	-70.2	121.2	175.2	-43	0	0	0	0	108.3	E215 A319	E215-S317 VanDerWaalsContact CG-OG 3.31Å; E215-S317 WeakPolarHBondContact CG-OG 3.28Å; E215-S317 WeakPolarHBondContact OE1-CB 3.45Å; E215-S317 PolarHBondContact OE1-OG 2.79Å; S317-A319 PolarHBondContact O-N 2.86Å
318	P	59.8	Low	64.8	Low	35 Å²	35	37.6 Å²	37.6	23%	0.227	23%	0.226	C	C	.	.			trans	-57.1	142.9	164.8	27	-30.9	0	0	0	107.6	D213 F314 G316 A320 K353	D213-P318 WeakPolarHBondContact OD1-CD 3.47Å; F314-P318 HydrophobicContact CE1-CB 4.11Å; F314-P318 HydrophobicContact CE1-CG 4.44Å; F314-P318 HydrophobicContact CZ-CB 4.45Å; G316-P318 WeakPolarHBondContact O-CD 3.46Å; P318-A320 WeakPolarHBondContact CB-O 3.2Å; P318-A320 WeakPolarHBondContact CG-O 3.43Å; P318-A320 PolarHBondContact O-N 2.77Å; P318-K353 WeakPolarHBondContact O-CD 3.2Å
319	A	63.5	Low	66.2	Low	76 Å²	76	41.5 Å²	41.5	63%	0.628	25%	0.252	S	S	*	.	S	Bend	trans	-60.1	-15.4	-178.3	0	0	0	0	0	112.7	S317 K353	S317-A319 PolarHBondContact O-N 2.86Å; A319-K353 PolarHBondContact O-N 2.83Å
320	A	68	Low	67	Low	20 Å²	20	42.4 Å²	42.4	17%	0.165	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	154.7	173.5	0	0	0	0	0	111.6	P318 F350 I351	P318-A320 WeakPolarHBondContact CB-O 3.2Å; P318-A320 WeakPolarHBondContact CG-O 3.43Å; P318-A320 PolarHBondContact O-N 2.77Å; A320-F350 HydrophobicContact CB-CB 4.05Å; A320-F350 HydrophobicContact CB-CD2 3.41Å; A320-F350 VanDerWaalsContact CB-CD2 3.41Å; A320-F350 HydrophobicContact CB-CE2 4.18Å; A320-F350 HydrophobicContact CB-CG 4.05Å; A320-I351 CarbonylContact C-O 3.57Å; A320-I351 WeakPolarHBondContact CA-O 3.27Å; A320-I351 WeakPolarHBondContact CB-O 3.49Å
321	T	71.8	Confident	67.9	Low	61 Å²	61	50.7 Å²	50.7	37%	0.374	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	118.1	167.1	-58.5	0	0	0	0	108.9	T323 F350 I351	T321-T323 PolarHBondContact O-N 3.28Å; T321-F350 CarbonylContact O-C 3.59Å; T321-F350 WeakPolarHBondContact O-CA 3.29Å; T321-F350 WeakPolarHBondContact O-CB 3.33Å; T321-I351 PolarHBondContact N-O 3.45Å; T321-I351 PolarHBondContact O-N 3.34Å
322	V	74.2	Confident	68	Low	68 Å²	68	53.9 Å²	53.9	41%	0.412	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	124.5	173	179.6	0	0	0	0	108.9	L185 V325 I348 F350	L185-V322 HydrophobicContact CD1-CG1 3.91Å; V322-V325 HydrophobicContact CG1-CG2 3.88Å; V322-I348 HydrophobicContact CG1-CG2 3.98Å; V322-I348 HydrophobicContact CG2-CG2 4.4Å; V322-F350 HydrophobicContact CG2-CB 4.44Å
323	T	78.6	Confident	68.2	Low	60 Å²	60	55 Å²	55	37%	0.368	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	-31.5	-178.3	54.2	0	0	0	0	112.2	T321 A349 I351 E396	T321-T323 PolarHBondContact O-N 3.28Å; T323-A349 PolarHBondContact N-O 3.47Å; T323-A349 VanDerWaalsContact OG1-C 3.24Å; T323-A349 WeakPolarHBondContact OG1-CB 3.28Å; T323-A349 PolarHBondContact OG1-O 3.04Å; T323-A349 VanDerWaalsContact OG1-O 3.11Å; T323-I351 HydrophobicContact CG2-CD1 3.74Å; T323-I351 HydrophobicContact CG2-CG1 3.86Å; T323-E396 WeakPolarHBondContact CB-OE1 3.49Å; T323-E396 WeakPolarHBondContact CG2-OE1 3.48Å; T323-E396 PolarHBondContact OG1-OE1 2.97Å
324	K	81.2	Confident	67.9	Low	132 Å²	132	58.4 Å²	58.4	57%	0.574	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-156.2	142.6	-179.6	-162.4	-179.3	-177.4	-175.4	0	112	T326 I348 A349	K324-T326 HydrophobicContact CD-CG2 4.05Å; K324-T326 VanDerWaalsContact CE-CG2 3.49Å; K324-T326 HydrophobicContact CG-CG2 4.12Å; K324-I348 CarbonylContact O-C 3.51Å; K324-I348 WeakPolarHBondContact O-CA 3.35Å; K324-A349 HydrophobicContact CB-CB 3.95Å; K324-A349 PolarHBondContact N-O 3.28Å; K324-A349 PolarHBondContact O-N 2.55Å
325	V	81	Confident	68.1	Low	39 Å²	39	60.1 Å²	60.1	24%	0.236	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	130.9	167.3	-177.8	0	0	0	0	108.5	L185 V322 L346 S347 I348	L185-V325 HydrophobicContact CD1-CG2 3.92Å; V322-V325 HydrophobicContact CG1-CG2 3.88Å; V325-L346 HydrophobicContact CG1-CD1 3.9Å; V325-S347 CarbonylContact C-O 3.59Å; V325-S347 WeakPolarHBondContact CA-O 3.42Å; V325-I348 HydrophobicContact CG1-CG1 4.45Å; V325-I348 HydrophobicContact CG2-CG1 4.45Å; V325-I348 HydrophobicContact CG2-CG2 4.38Å
326	T	80.2	Confident	68.6	Low	51 Å²	51	61 Å²	61	31%	0.313	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	146.4	176	58.7	0	0	0	0	110.7	K324 S347	K324-T326 HydrophobicContact CD-CG2 4.05Å; K324-T326 VanDerWaalsContact CE-CG2 3.49Å; K324-T326 HydrophobicContact CG-CG2 4.12Å; T326-S347 PolarHBondContact N-O 3.37Å; T326-S347 PolarHBondContact O-N 3.29Å; T326-S347 WeakPolarHBondContact OG1-CB 3.34Å
327	V	83.1	Confident	69.4	Low	5 Å²	5	70.5 Å²	70.5	3%	0.03	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	109.1	175.8	-178.8	0	0	0	0	107.6	C330 P333 Y338 I345 L346	V327-C330 HydrophobicContact CB-CB 4.44Å; V327-C330 CarbonylContact O-C 3.58Å; V327-C330 WeakPolarHBondContact O-CA 3.44Å; V327-C330 WeakPolarHBondContact O-CB 3.49Å; V327-C330 PolarHBondContact O-N 3.13Å; V327-P333 HydrophobicContact CG2-CB 4.08Å; V327-Y338 HydrophobicContact CG1-CE1 3.89Å; V327-I345 CarbonylContact C-O 3.52Å; V327-I345 WeakPolarHBondContact CA-O 3.41Å; V327-L346 HydrophobicContact CG2-CD1 3.8Å
328	D	82.3	Confident	70.5	Confident	95 Å²	95	72.2 Å²	72.2	51%	0.508	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	135.9	171.7	-173.3	55.6	0	0	0	109	A344 I345	D328-A344 CarbonylContact O-C 2.91Å; D328-A344 VanDerWaalsContact O-CA 3.31Å; D328-A344 WeakPolarHBondContact O-CA 3.23Å; D328-I345 HydrophobicContact CB-CB 3.95Å; D328-I345 HydrophobicContact CB-CG1 4.4Å; D328-I345 PolarHBondContact N-O 2.89Å; D328-I345 PolarHBondContact O-N 2.96Å
329	P	78.3	Confident	71.1	Confident	82 Å²	82	79.3 Å²	79.3	53%	0.532	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	cis	-93.8	31.6	10.2	39.2	-38	0	0	0	115.3
330	C	75.3	Confident	71.6	Confident	21 Å²	21	82.1 Å²	82.1	14%	0.142	41%	0.413	C	S	.	.	B	Isolated β-bridge	trans	-100.3	119.4	-172.5	-63.2	0	0	0	0	112.1	V327 N332 C336	V327-C330 HydrophobicContact CB-CB 4.44Å; V327-C330 CarbonylContact O-C 3.58Å; V327-C330 WeakPolarHBondContact O-CA 3.44Å; V327-C330 WeakPolarHBondContact O-CB 3.49Å; V327-C330 PolarHBondContact O-N 3.13Å; C330-N332 PolarHBondContact O-N 3.06Å; C330-C336 HydrophobicContact CB-CB 3.77Å; C330-C336 WeakPolarHBondContact CB-SG 3.47Å; C330-C336 WeakPolarHBondContact SG-CA 3.17Å; C330-C336 WeakPolarHBondContact SG-CB 3.34Å; C330-C336 CovalentContact SG-SG 2.02Å; C330-C336 PolarHBondContact SG-SG 2.67Å
331	D	73.9	Confident	72	Confident	174 Å²	174	83.3 Å²	83.3	93%	0.93	43%	0.428	S	S	*	.	S	Bend	trans	-64.5	-30.2	172.8	-63	-42.2	0	0	0	111.8
332	N	62.7	Low	72.5	Confident	69 Å²	69	85.4 Å²	85.4	37%	0.369	43%	0.433	S	S	.	.	S	Bend	trans	-113.4	112.9	174	-175.6	-1.8	0	0	0	110.2	C330 N334 E335	C330-N332 PolarHBondContact O-N 3.06Å; N332-N334 PolarHBondContact O-N 3.32Å; N332-N334 VanDerWaalsContact OD1-CB 3.29Å; N332-N334 WeakPolarHBondContact OD1-CB 3.17Å; N332-N334 PolarHBondContact OD1-N 2.95Å; N332-E335 CarbonylContact O-C 3.58Å; N332-E335 PolarHBondContact O-N 2.85Å
333	P	57.7	Low	72.8	Confident	30 Å²	30	86.4 Å²	86.4	20%	0.195	44%	0.436	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-19	178.3	27.6	-34.3	0	0	0	113	V327	V327-P333 HydrophobicContact CG2-CB 4.08Å
334	N	52.7	Low	73	Confident	78 Å²	78	83.5 Å²	83.5	42%	0.417	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-15.4	-178.8	-54.3	-20.6	0	0	0	112.8	F183 N332	F183-N334 PolarHBondContact O-OD1 3.23Å; N332-N334 PolarHBondContact O-N 3.32Å; N332-N334 VanDerWaalsContact OD1-CB 3.29Å; N332-N334 WeakPolarHBondContact OD1-CB 3.17Å; N332-N334 PolarHBondContact OD1-N 2.95Å
335	E	53.5	Low	73.2	Confident	98 Å²	98	79.4 Å²	79.4	46%	0.458	40%	0.403	S	S	.	.	S	Bend	trans	-141.4	91.9	-177.8	-160.1	-169.3	153.8	0	0	109.1	I180 N332	I180-E335 HydrophobicContact CB-CG 3.99Å; I180-E335 HydrophobicContact CD1-CG 3.72Å; I180-E335 WeakPolarHBondContact CD1-OE1 3.43Å; I180-E335 HydrophobicContact CG1-CG 4.15Å; I180-E335 HydrophobicContact CG2-CB 4.23Å; I180-E335 HydrophobicContact CG2-CG 3.44Å; I180-E335 VanDerWaalsContact CG2-CG 3.44Å; N332-E335 CarbonylContact O-C 3.58Å; N332-E335 PolarHBondContact O-N 2.85Å
336	C	62.8	Low	73.3	Confident	23 Å²	23	78.1 Å²	78.1	16%	0.155	39%	0.394	C	S	.	.			trans	-119.1	127.7	-171	-167.2	0	0	0	0	112	C330 Y338	C330-C336 HydrophobicContact CB-CB 3.77Å; C330-C336 WeakPolarHBondContact CB-SG 3.47Å; C330-C336 WeakPolarHBondContact SG-CA 3.17Å; C330-C336 WeakPolarHBondContact SG-CB 3.34Å; C330-C336 CovalentContact SG-SG 2.02Å; C330-C336 PolarHBondContact SG-SG 2.67Å; C336-Y338 HydrophobicContact CB-CE1 4.31Å; C336-Y338 HydrophobicContact CB-CE2 4.15Å; C336-Y338 WeakPolarHBondContact SG-CE1 3.24Å
337	R	67.8	Low	73.5	Confident	212 Å²	212	76.8 Å²	76.8	80%	0.8	39%	0.387	S	S	*	.			trans	-105.3	104.2	173.5	-71.6	-172.3	179.5	-144.9	1.3	109.4
338	Y	72.8	Confident	73.5	Confident	87 Å²	87	78.8 Å²	78.8	34%	0.341	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-81.8	138	176.8	-57	-69.2	0	0	0	111.4	V327 C336 A344 I405	V327-Y338 HydrophobicContact CG1-CE1 3.89Å; C336-Y338 HydrophobicContact CB-CE1 4.31Å; C336-Y338 HydrophobicContact CB-CE2 4.15Å; C336-Y338 WeakPolarHBondContact SG-CE1 3.24Å; Y338-A344 HydrophobicContact CD1-CB 3.6Å; Y338-A344 HydrophobicContact CE1-CB 3.4Å; Y338-I405 HydrophobicContact CD1-CD1 3.96Å; Y338-I405 HydrophobicContact CD1-CG1 4.29Å; Y338-I405 HydrophobicContact CD2-CD1 4.42Å; Y338-I405 HydrophobicContact CG-CD1 3.88Å; Y338-I405 HydrophobicContact CG-CG1 4.27Å
339	R	71.3	Confident	73.7	Confident	185 Å²	185	74.7 Å²	74.7	70%	0.698	38%	0.376	S	S	*	.	P	Polyproline II helix	trans	-83.5	126.4	165.3	-71.1	-174.4	-179.6	177.5	1.5	108.8	H342	R339-H342 HydrophobicContact CB-CB 4.12Å; R339-H342 WeakPolarHBondContact CB-ND1 3.33Å; R339-H342 WeakPolarHBondContact O-CB 3.38Å; R339-H342 PolarHBondContact O-N 3.35Å
340	M	74	Confident	73.9	Confident	134 Å²	134	72 Å²	72	66%	0.66	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	139.5	173.1	-65	178.8	178.8	0	0	110.1	H342	M340-H342 PolarHBondContact O-N 3.16Å; M340-H342 PolarHBondContact O-ND1 2.73Å
341	G	76.7	Confident	74.1	Confident	46 Å²	46	73.5 Å²	73.5	47%	0.474	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.8	4.5	-177.3	0	0	0	0	0	115.5	I405	G341-I405 WeakPolarHBondContact CA-O 3.34Å; G341-I405 PolarHBondContact N-O 3.27Å
342	H	82.4	Confident	74.4	Confident	104 Å²	104	65.3 Å²	65.3	48%	0.481	32%	0.319	S	S	.	.	S	Bend	trans	-107.5	164.2	171.9	-63.8	61.7	0	0	0	109.9	R339 M340 I405	R339-H342 HydrophobicContact CB-CB 4.12Å; R339-H342 WeakPolarHBondContact CB-ND1 3.33Å; R339-H342 WeakPolarHBondContact O-CB 3.38Å; R339-H342 PolarHBondContact O-N 3.35Å; M340-H342 PolarHBondContact O-N 3.16Å; M340-H342 PolarHBondContact O-ND1 2.73Å; H342-I405 WeakPolarHBondContact O-CB 3.37Å; H342-I405 VanDerWaalsContact O-CG1 3.26Å; H342-I405 WeakPolarHBondContact O-CG1 3.23Å; H342-I405 PolarHBondContact O-N 3.06Å
343	D	81.3	Confident	75	Confident	89 Å²	89	64.2 Å²	64.2	48%	0.476	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	143	173.4	-66.7	-18.5	0	0	0	110.2	P404	D343-P404 WeakPolarHBondContact OD1-CA 3.24Å
344	A	82	Confident	75.9	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	144.4	163.9	0	0	0	0	0	109.9	D328 Y338 M403 I405	D328-A344 CarbonylContact O-C 2.91Å; D328-A344 VanDerWaalsContact O-CA 3.31Å; D328-A344 WeakPolarHBondContact O-CA 3.23Å; Y338-A344 HydrophobicContact CD1-CB 3.6Å; Y338-A344 HydrophobicContact CE1-CB 3.4Å; A344-M403 HydrophobicContact CB-CB 4.44Å; A344-M403 HydrophobicContact CB-CE 3.92Å; A344-M403 PolarHBondContact N-O 2.82Å; A344-M403 PolarHBondContact O-N 2.89Å; A344-I405 HydrophobicContact CB-CD1 4.22Å; A344-I405 HydrophobicContact CB-CG1 4.41Å
345	I	84.7	Confident	77.2	Confident	46 Å²	46	72.2 Å²	72.2	24%	0.236	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	107.4	178.5	-47.3	-179.1	0	0	0	109.5	V327 D328 T400 I401 R402	V327-I345 CarbonylContact C-O 3.52Å; V327-I345 WeakPolarHBondContact CA-O 3.41Å; D328-I345 HydrophobicContact CB-CB 3.95Å; D328-I345 HydrophobicContact CB-CG1 4.4Å; D328-I345 PolarHBondContact N-O 2.89Å; D328-I345 PolarHBondContact O-N 2.96Å; I345-T400 HydrophobicContact CG2-CG2 3.37Å; I345-I401 WeakPolarHBondContact CA-O 3.26Å; I345-R402 HydrophobicContact CG1-CG 4.36Å
346	L	83.8	Confident	78.2	Confident	11 Å²	11	69 Å²	69	6%	0.058	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	126.1	171.4	173.5	66.3	0	0	0	109	V325 V327 I348 I363 T400 I401 M403	V325-L346 HydrophobicContact CG1-CD1 3.9Å; V327-L346 HydrophobicContact CG2-CD1 3.8Å; L346-I348 HydrophobicContact CD1-CG1 4.38Å; L346-I348 HydrophobicContact CD2-CD1 4.42Å; L346-I348 HydrophobicContact CG-CG1 4.36Å; L346-I363 HydrophobicContact CD2-CD1 3.94Å; L346-I363 HydrophobicContact CD2-CG1 4.43Å; L346-T400 CarbonylContact O-C 3.59Å; L346-T400 WeakPolarHBondContact O-CA 3.46Å; L346-I401 HydrophobicContact CB-CG2 3.94Å; L346-I401 HydrophobicContact CD2-CG2 4.3Å; L346-I401 HydrophobicContact CG-CG2 4.44Å; L346-I401 PolarHBondContact N-O 2.03Å; L346-I401 PolarHBondContact O-N 3.28Å; L346-M403 HydrophobicContact CB-CE 3.79Å; L346-M403 HydrophobicContact CB-SD 4.27Å
347	S	84.8	Confident	78.9	Confident	23 Å²	23	71.7 Å²	71.7	16%	0.161	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	133	172.8	-46.2	0	0	0	0	111.1	V325 T326 Y399	V325-S347 CarbonylContact C-O 3.59Å; V325-S347 WeakPolarHBondContact CA-O 3.42Å; T326-S347 PolarHBondContact N-O 3.37Å; T326-S347 PolarHBondContact O-N 3.29Å; T326-S347 WeakPolarHBondContact OG1-CB 3.34Å; S347-Y399 CarbonylContact C-O 3.49Å; S347-Y399 VanDerWaalsContact CA-O 3.22Å; S347-Y399 WeakPolarHBondContact CA-O 3.28Å
348	I	83.7	Confident	79	Confident	48 Å²	48	71.5 Å²	71.5	25%	0.246	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	111.5	179.1	-55.4	174.9	0	0	0	107.6	V322 K324 V325 L346 F350 T398 Y399	V322-I348 HydrophobicContact CG1-CG2 3.98Å; V322-I348 HydrophobicContact CG2-CG2 4.4Å; K324-I348 CarbonylContact O-C 3.51Å; K324-I348 WeakPolarHBondContact O-CA 3.35Å; V325-I348 HydrophobicContact CG1-CG1 4.45Å; V325-I348 HydrophobicContact CG2-CG1 4.45Å; V325-I348 HydrophobicContact CG2-CG2 4.38Å; L346-I348 HydrophobicContact CD1-CG1 4.38Å; L346-I348 HydrophobicContact CD2-CD1 4.42Å; L346-I348 HydrophobicContact CG-CG1 4.36Å; I348-F350 HydrophobicContact CG2-CD1 4.29Å; I348-T398 WeakPolarHBondContact O-CA 3.3Å; I348-Y399 PolarHBondContact N-O 2.81Å; I348-Y399 PolarHBondContact O-N 3.02Å
349	A	85	Confident	79.1	Confident	9 Å²	9	68.7 Å²	68.7	7%	0.074	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	134.7	170.2	0	0	0	0	0	110	T323 K324 E396 V397	T323-A349 PolarHBondContact N-O 3.47Å; T323-A349 VanDerWaalsContact OG1-C 3.24Å; T323-A349 WeakPolarHBondContact OG1-CB 3.28Å; T323-A349 PolarHBondContact OG1-O 3.04Å; T323-A349 VanDerWaalsContact OG1-O 3.11Å; K324-A349 HydrophobicContact CB-CB 3.95Å; K324-A349 PolarHBondContact N-O 3.28Å; K324-A349 PolarHBondContact O-N 2.55Å; A349-E396 HydrophobicContact CB-CG 4.4Å; A349-V397 CarbonylContact C-O 3.36Å; A349-V397 VanDerWaalsContact CA-O 3.31Å; A349-V397 WeakPolarHBondContact CA-O 3.05Å
350	F	82.3	Confident	78.9	Confident	24 Å²	24	65.6 Å²	65.6	11%	0.105	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	156.2	-179.9	63	-92.7	0	0	0	112.4	A320 T321 V322 I348 L387 L391 E396 V397	A320-F350 HydrophobicContact CB-CB 4.05Å; A320-F350 HydrophobicContact CB-CD2 3.41Å; A320-F350 VanDerWaalsContact CB-CD2 3.41Å; A320-F350 HydrophobicContact CB-CE2 4.18Å; A320-F350 HydrophobicContact CB-CG 4.05Å; T321-F350 CarbonylContact O-C 3.59Å; T321-F350 WeakPolarHBondContact O-CA 3.29Å; T321-F350 WeakPolarHBondContact O-CB 3.33Å; V322-F350 HydrophobicContact CG2-CB 4.44Å; I348-F350 HydrophobicContact CG2-CD1 4.29Å; F350-L387 HydrophobicContact CE1-CD1 4.36Å; F350-L387 HydrophobicContact CE1-CD2 4.43Å; F350-L387 HydrophobicContact CZ-CD1 4.06Å; F350-L387 HydrophobicContact CZ-CD2 4.26Å; F350-L391 HydrophobicContact CE2-CD1 3.84Å; F350-L391 HydrophobicContact CZ-CD1 4.05Å; F350-E396 WeakPolarHBondContact O-CA 3.39Å; F350-V397 HydrophobicContact CD1-CG2 4.44Å; F350-V397 HydrophobicContact CD2-CG2 3.78Å; F350-V397 HydrophobicContact CE1-CG2 4.08Å; F350-V397 HydrophobicContact CE2-CG2 3.38Å; F350-V397 HydrophobicContact CG-CG2 4.32Å; F350-V397 HydrophobicContact CZ-CG2 3.55Å; F350-V397 PolarHBondContact N-O 2.74Å; F350-V397 PolarHBondContact O-N 3.28Å
351	I	80.9	Confident	78.7	Confident	54 Å²	54	60 Å²	60	28%	0.277	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	113.3	175.2	-62.3	169.4	0	0	0	108.5	A320 T321 T323 G394 E396	A320-I351 CarbonylContact C-O 3.57Å; A320-I351 WeakPolarHBondContact CA-O 3.27Å; A320-I351 WeakPolarHBondContact CB-O 3.49Å; T321-I351 PolarHBondContact N-O 3.45Å; T321-I351 PolarHBondContact O-N 3.34Å; T323-I351 HydrophobicContact CG2-CD1 3.74Å; T323-I351 HydrophobicContact CG2-CG1 3.86Å; I351-G394 VanDerWaalsContact CG2-C 3.47Å; I351-G394 VanDerWaalsContact CG2-CA 3.45Å; I351-E396 HydrophobicContact CG1-CB 3.88Å; I351-E396 HydrophobicContact CG1-CG 4.28Å
352	P	79.8	Confident	78.1	Confident	1 Å²	1	61.1 Å²	61.1	1%	0.006	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	133.7	177.6	31.6	-34.7	0	0	0	110.6	N354 L391 I392 E393 G394 K395	P352-N354 VanDerWaalsContact C-N 3.31Å; P352-L391 HydrophobicContact CB-CB 4.45Å; P352-L391 HydrophobicContact CG-CB 4.06Å; P352-I392 WeakPolarHBondContact CG-O 3.5Å; P352-E393 WeakPolarHBondContact O-CA 3.28Å; P352-G394 PolarHBondContact O-N 2.71Å; P352-K395 WeakPolarHBondContact CD-O 3.4Å
353	K	75.5	Confident	77.2	Confident	47 Å²	47	57.2 Å²	57.2	20%	0.204	30%	0.304	C	S	.	.	S	Bend	trans	-79.8	-12.4	177	-67.5	-168.4	179.3	-175.1	0	112.9	D213 E215 P318 A319 E393	D213-K353 IonicContact OD1-NZ 3.58Å; D213-K353 PolarHBondContact OD1-NZ 2.92Å; D213-K353 IonicContact OD2-NZ 2.86Å; D213-K353 PolarHBondContact OD2-NZ 2.8Å; E215-K353 IonicContact OE1-NZ 3.7Å; E215-K353 PolarHBondContact OE1-NZ 3.2Å; P318-K353 WeakPolarHBondContact O-CD 3.2Å; A319-K353 PolarHBondContact O-N 2.83Å; K353-E393 WeakPolarHBondContact O-CG 3.35Å
354	N	76.2	Confident	75.9	Confident	106 Å²	106	59.6 Å²	59.6	57%	0.567	31%	0.312	S	S	*	.	S	Bend	trans	-146.2	156.5	176.9	-72.9	-68.4	0	0	0	110.2	P352 T356	P352-N354 VanDerWaalsContact C-N 3.31Å; N354-T356 PolarHBondContact O-N 2.96Å; N354-T356 VanDerWaalsContact O-N 3.15Å; N354-T356 PolarHBondContact O-OG1 3.29Å
355	R	81	Confident	74.4	Confident	169 Å²	169	61 Å²	61	64%	0.638	33%	0.326	S	S	*	.			trans	-55.7	120.8	172.4	-173.2	178.2	179.9	-129	-2.9	110.5	D390 L391	R355-D390 IonicContact NH2-OD1 3.33Å; R355-D390 IonicContact NH2-OD2 3.13Å; R355-D390 PolarHBondContact NH2-OD2 2.79Å; R355-L391 WeakPolarHBondContact CA-O 3.15Å
356	T	74.6	Confident	72.5	Confident	32 Å²	32	62.8 Å²	62.8	20%	0.196	34%	0.335	C	S	.	.	B	Isolated β-bridge	trans	-123.4	118.3	-171.9	-60.8	0	0	0	0	111.1	N354 R358 V359 D390 L391	N354-T356 PolarHBondContact O-N 2.96Å; N354-T356 VanDerWaalsContact O-N 3.15Å; N354-T356 PolarHBondContact O-OG1 3.29Å; T356-R358 WeakPolarHBondContact CG2-O 3.5Å; T356-V359 HydrophobicContact CG2-CG2 4Å; T356-D390 PolarHBondContact O-N 2.79Å; T356-L391 HydrophobicContact CG2-CD1 4.35Å; T356-L391 PolarHBondContact N-O 2.77Å; T356-L391 VanDerWaalsContact N-O 3.1Å; T356-L391 PolarHBondContact O-N 2.8Å
357	T	75.9	Confident	70.5	Confident	78 Å²	78	68.3 Å²	68.3	48%	0.479	36%	0.364	S	S	.	.	S	Bend	trans	-98.1	-13.9	-177.9	60.8	0	0	0	0	113.6	D390	T357-D390 WeakPolarHBondContact CG2-OD1 3.31Å
358	R	71.2	Confident	68.5	Low	209 Å²	209	70.4 Å²	70.4	79%	0.789	39%	0.389	S	S	*	.			trans	-139	135.2	178.9	-68.9	-171.3	-67.2	-136	-1.4	110.4	T356	T356-R358 WeakPolarHBondContact CG2-O 3.5Å
359	V	73.4	Confident	66.4	Low	28 Å²	28	76 Å²	76	17%	0.17	41%	0.414	C	S	.	.			trans	-127.7	132.8	174.1	177.4	0	0	0	0	107.3	T356 G381 C382 L387 L391	T356-V359 HydrophobicContact CG2-CG2 4Å; V359-G381 WeakPolarHBondContact O-CA 3.1Å; V359-G381 PolarHBondContact O-N 3.02Å; V359-C382 PolarHBondContact N-SG 3.34Å; V359-L387 HydrophobicContact CB-CD1 4.47Å; V359-L387 HydrophobicContact CG1-CD1 4.24Å; V359-L387 HydrophobicContact CG2-CD1 4.41Å; V359-L391 HydrophobicContact CG2-CD1 3.71Å
360	T	67.9	Low	64.2	Low	119 Å²	119	80.6 Å²	80.6	73%	0.73	44%	0.437	S	S	*	.	B	Isolated β-bridge	trans	-109.9	130.4	171.2	-53.6	0	0	0	0	108	P379	T360-P379 CarbonylContact C-O 3.54Å; T360-P379 VanDerWaalsContact CA-O 3.27Å; T360-P379 WeakPolarHBondContact CA-O 3.22Å; T360-P379 HydrophobicContact CG2-CB 4.16Å; T360-P379 WeakPolarHBondContact CG2-O 3.37Å
361	A	69.3	Low	62.3	Low	17 Å²	17	82.3 Å²	82.3	14%	0.14	45%	0.449	C	S	.	.			trans	-104	144.2	176.1	0	0	0	0	0	110.7	L376 P379 Y399	A361-L376 HydrophobicContact CB-CD1 3.76Å; A361-L376 WeakPolarHBondContact O-CD1 3.32Å; A361-P379 PolarHBondContact N-O 2.75Å; A361-Y399 HydrophobicContact CB-CE1 4.15Å; A361-Y399 HydrophobicContact CB-CE2 3.83Å; A361-Y399 VanDerWaalsContact CB-CZ 3.44Å; A361-Y399 WeakPolarHBondContact CB-OH 3.42Å
362	G	64	Low	60.6	Low	69 Å²	69	84.7 Å²	84.7	71%	0.711	46%	0.458	S	S	*	.			trans	-144.2	145.6	171.1	0	0	0	0	0	108.9
363	I	64	Low	59.2	Low	22 Å²	22	87.9 Å²	87.9	11%	0.113	48%	0.478	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	128.7	172.2	-60.5	-179.5	0	0	0	107.1	L346 Y374 L376 I401 M403	L346-I363 HydrophobicContact CD2-CD1 3.94Å; L346-I363 HydrophobicContact CD2-CG1 4.43Å; I363-Y374 PolarHBondContact O-N 2.77Å; I363-L376 HydrophobicContact CB-CD2 4.09Å; I363-L376 HydrophobicContact CD1-CD2 3.46Å; I363-L376 VanDerWaalsContact CD1-CD2 3.46Å; I363-L376 HydrophobicContact CG1-CD1 4.31Å; I363-L376 HydrophobicContact CG1-CD2 3.65Å; I363-L376 HydrophobicContact CG1-CG 4.42Å; I363-I401 HydrophobicContact CD1-CG2 3.98Å; I363-M403 HydrophobicContact CD1-CG 4.08Å; I363-M403 HydrophobicContact CD1-SD 3.63Å
364	E	53.4	Low	58.4	Low	139 Å²	139	89.3 Å²	89.3	65%	0.65	48%	0.483	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.1	127.3	170.5	-65.6	-177.9	177.2	0	0	107.8	T371	E364-T371 HydrophobicContact CB-CG2 4.13Å
365	G	52	Low	57.7	Low	29 Å²	29	92 Å²	92	30%	0.299	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	150.8	174.8	0	0	0	0	0	110.6	T371 F372	G365-T371 CarbonylContact O-C 3.56Å; G365-T371 WeakPolarHBondContact O-CA 3.12Å; G365-F372 PolarHBondContact N-O 3.48Å; G365-F372 PolarHBondContact O-N 3.38Å
366	M	43.2	Very low	56.8	Low	85 Å²	85	85 Å²	85	42%	0.419	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	127.2	171.2	-68.6	-173.4	-78	0	0	110.2	K169 L370 T371	K169-M366 HydrophobicContact CG-SD 4.29Å; M366-L370 WeakPolarHBondContact CA-O 3.47Å; M366-T371 HydrophobicContact CG-CG2 4.48Å
367	L	42.1	Very low	56.4	Low	126 Å²	126	89.2 Å²	89.2	66%	0.66	50%	0.495	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.8	101.7	168.8	-169.1	85.4	0	0	0	108.6	Q369 L370 F372	L367-Q369 PolarHBondContact O-N 2.69Å; L367-Q369 VanDerWaalsContact O-N 3.08Å; L367-L370 PolarHBondContact N-O 3.17Å; L367-L370 PolarHBondContact O-N 2.9Å; L367-F372 HydrophobicContact CB-CD2 4.34Å; L367-F372 HydrophobicContact CB-CE2 3.96Å
368	G	44.1	Very low	56	Low	67 Å²	67	87.8 Å²	87.8	69%	0.691	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.3	-116.6	-174.3	0	0	0	0	0	111.3	K169	K169-G368 WeakPolarHBondContact CE-O 3.42Å
369	Q	38.3	Very low	55.8	Low	167 Å²	167	81.5 Å²	81.5	78%	0.78	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-28.1	173.9	54.6	129	-81.3	0	0	117.5	K169 L367	K169-Q369 HydrophobicContact CD-CB 3.65Å; K169-Q369 VanDerWaalsContact CE-O 3.29Å; K169-Q369 WeakPolarHBondContact CE-O 3.48Å; K169-Q369 VanDerWaalsContact NZ-C 3.32Å; K169-Q369 PolarHBondContact NZ-O 3.5Å; L367-Q369 PolarHBondContact O-N 2.69Å; L367-Q369 VanDerWaalsContact O-N 3.08Å
370	L	38.6	Very low	55.9	Low	105 Å²	105	82.3 Å²	82.3	55%	0.55	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	127.6	-158	-66.2	169.8	0	0	0	110.8	M366 L367 F372	M366-L370 WeakPolarHBondContact CA-O 3.47Å; L367-L370 PolarHBondContact N-O 3.17Å; L367-L370 PolarHBondContact O-N 2.9Å; L370-F372 HydrophobicContact CB-CD2 4.18Å; L370-F372 HydrophobicContact CB-CE2 3.38Å; L370-F372 HydrophobicContact CB-CZ 3.63Å; L370-F372 HydrophobicContact CD1-CE2 4.22Å; L370-F372 HydrophobicContact CD1-CZ 3.74Å; L370-F372 HydrophobicContact CG-CE2 4.44Å; L370-F372 HydrophobicContact CG-CZ 4.29Å
371	T	42.1	Very low	56.2	Low	59 Å²	59	76.7 Å²	76.7	36%	0.362	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	127.7	169.1	-50.7	0	0	0	0	108.5	E364 G365 M366	E364-T371 HydrophobicContact CB-CG2 4.13Å; G365-T371 CarbonylContact O-C 3.56Å; G365-T371 WeakPolarHBondContact O-CA 3.12Å; M366-T371 HydrophobicContact CG-CG2 4.48Å
372	F	45.5	Very low	56.6	Low	104 Å²	104	77.2 Å²	77.2	46%	0.456	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	124.8	176.5	-62.6	-85	0	0	0	109	G365 L367 L370 Y374	G365-F372 PolarHBondContact N-O 3.48Å; G365-F372 PolarHBondContact O-N 3.38Å; L367-F372 HydrophobicContact CB-CD2 4.34Å; L367-F372 HydrophobicContact CB-CE2 3.96Å; L370-F372 HydrophobicContact CB-CD2 4.18Å; L370-F372 HydrophobicContact CB-CE2 3.38Å; L370-F372 HydrophobicContact CB-CZ 3.63Å; L370-F372 HydrophobicContact CD1-CE2 4.22Å; L370-F372 HydrophobicContact CD1-CZ 3.74Å; L370-F372 HydrophobicContact CG-CE2 4.44Å; L370-F372 HydrophobicContact CG-CZ 4.29Å; F372-Y374 PolarHBondContact O-N 2.83Å
373	P	50.8	Low	57.3	Low	68 Å²	68	79.9 Å²	79.9	44%	0.442	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	123.8	166.9	27.6	-31.8	0	0	0	108.3	H375	P373-H375 PolarHBondContact O-N 2.82Å
374	Y	58.8	Low	57.8	Low	77 Å²	77	86.2 Å²	86.2	30%	0.302	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	108.6	167.2	-174.7	-87.9	0	0	0	107.4	I363 F372 L376 P404	I363-Y374 PolarHBondContact O-N 2.77Å; F372-Y374 PolarHBondContact O-N 2.83Å; Y374-L376 HydrophobicContact CD1-CD2 3.63Å; Y374-L376 HydrophobicContact CE1-CD2 4.02Å; Y374-L376 PolarHBondContact O-N 3.35Å; Y374-P404 WeakPolarHBondContact OH-CD 3.28Å; Y374-P404 WeakPolarHBondContact OH-CG 3.47Å; Y374-P404 PolarHBondContact OH-O 2.75Å
375	H	60.9	Low	59	Low	162 Å²	162	79.8 Å²	79.8	75%	0.75	44%	0.438	S	S	*	.			trans	-67.1	101.7	179.6	-69	-67.8	0	0	0	110	P373	P373-H375 PolarHBondContact O-N 2.82Å
376	L	63.8	Low	60.3	Low	24 Å²	24	81.8 Å²	81.8	13%	0.126	46%	0.46	C	S	.	.			trans	-65	143	172.7	-54.7	178.8	0	0	0	109.7	A361 I363 Y374 N378 I401	A361-L376 HydrophobicContact CB-CD1 3.76Å; A361-L376 WeakPolarHBondContact O-CD1 3.32Å; I363-L376 HydrophobicContact CB-CD2 4.09Å; I363-L376 HydrophobicContact CD1-CD2 3.46Å; I363-L376 VanDerWaalsContact CD1-CD2 3.46Å; I363-L376 HydrophobicContact CG1-CD1 4.31Å; I363-L376 HydrophobicContact CG1-CD2 3.65Å; I363-L376 HydrophobicContact CG1-CG 4.42Å; Y374-L376 HydrophobicContact CD1-CD2 3.63Å; Y374-L376 HydrophobicContact CE1-CD2 4.02Å; Y374-L376 PolarHBondContact O-N 3.35Å; L376-N378 PolarHBondContact O-N 3.29Å; L376-N378 VanDerWaalsContact O-N 3.09Å; L376-I401 HydrophobicContact CB-CD1 4.4Å; L376-I401 HydrophobicContact CD1-CD1 4.03Å; L376-I401 HydrophobicContact CD2-CD1 3.57Å; L376-I401 HydrophobicContact CG-CD1 4.19Å
377	P	65.6	Low	62.1	Low	119 Å²	119	78.2 Å²	78.2	77%	0.773	44%	0.442	S	S	*	.	S	Bend	trans	-55.7	-28.9	175.7	-24.3	32.6	0	0	0	113
378	N	66.5	Low	64	Low	48 Å²	48	78.2 Å²	78.2	26%	0.257	45%	0.447	S	S	.	.			trans	-147.9	124.2	174.2	-176.1	6.2	0	0	0	109.4	L376 D380 K383	L376-N378 PolarHBondContact O-N 3.29Å; L376-N378 VanDerWaalsContact O-N 3.09Å; N378-D380 VanDerWaalsContact C-N 3.27Å; N378-D380 VanDerWaalsContact OD1-CB 3.29Å; N378-D380 WeakPolarHBondContact OD1-CB 3.19Å; N378-D380 PolarHBondContact OD1-N 2.73Å; N378-K383 VanDerWaalsContact ND2-CB 3.35Å; N378-K383 WeakPolarHBondContact ND2-CB 3.41Å
379	P	68.4	Low	65.6	Low	77 Å²	77	76.3 Å²	76.3	50%	0.5	42%	0.423	S	S	.	.			trans	-75.9	-13.7	175	31.6	-36.1	0	0	0	113	T360 A361 G381	T360-P379 CarbonylContact C-O 3.54Å; T360-P379 VanDerWaalsContact CA-O 3.27Å; T360-P379 WeakPolarHBondContact CA-O 3.22Å; T360-P379 HydrophobicContact CG2-CB 4.16Å; T360-P379 WeakPolarHBondContact CG2-O 3.37Å; A361-P379 PolarHBondContact N-O 2.75Å; P379-G381 PolarHBondContact O-N 2.92Å
380	D	73.9	Confident	67.7	Low	46 Å²	46	72.5 Å²	72.5	25%	0.246	41%	0.408	C	S	.	.	B	Isolated β-bridge	trans	-70.5	100.3	174.5	-176.5	-2.3	0	0	0	109.9	N378 C382 K383	N378-D380 VanDerWaalsContact C-N 3.27Å; N378-D380 VanDerWaalsContact OD1-CB 3.29Å; N378-D380 WeakPolarHBondContact OD1-CB 3.19Å; N378-D380 PolarHBondContact OD1-N 2.73Å; D380-C382 PolarHBondContact O-N 3.2Å; D380-C382 VanDerWaalsContact O-N 3.13Å; D380-C382 WeakPolarHBondContact OD1-CB 3.32Å; D380-C382 PolarHBondContact OD1-N 2.83Å; D380-K383 HydrophobicContact CB-CD 4.34Å; D380-K383 PolarHBondContact O-N 2.57Å; D380-K383 VanDerWaalsContact OD2-CD 3.27Å; D380-K383 WeakPolarHBondContact OD2-CD 3.15Å; D380-K383 WeakPolarHBondContact OD2-CE 3.31Å; D380-K383 IonicContact OD2-NZ 3.7Å; D380-K383 PolarHBondContact OD2-NZ 3.19Å
381	G	74.7	Confident	69.8	Low	1 Å²	1	67.7 Å²	67.7	1%	0.01	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-9	-178.8	0	0	0	0	0	113.6	V359 P379 K383 S385	V359-G381 WeakPolarHBondContact O-CA 3.1Å; V359-G381 PolarHBondContact O-N 3.02Å; P379-G381 PolarHBondContact O-N 2.92Å; G381-K383 VanDerWaalsContact C-N 3.3Å; G381-S385 WeakPolarHBondContact O-CB 3.36Å; G381-S385 PolarHBondContact O-OG 3.08Å
382	C	78	Confident	71.9	Confident	28 Å²	28	69.9 Å²	69.9	19%	0.189	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-5.1	172.3	-56.4	0	0	0	0	113.5	V359 D380 C389	V359-C382 PolarHBondContact N-SG 3.34Å; D380-C382 PolarHBondContact O-N 3.2Å; D380-C382 VanDerWaalsContact O-N 3.13Å; D380-C382 WeakPolarHBondContact OD1-CB 3.32Å; D380-C382 PolarHBondContact OD1-N 2.83Å; C382-C389 WeakPolarHBondContact CA-SG 3.19Å; C382-C389 HydrophobicContact CB-CB 3.56Å; C382-C389 WeakPolarHBondContact CB-SG 3.17Å; C382-C389 WeakPolarHBondContact SG-CB 3.24Å; C382-C389 CovalentContact SG-SG 2Å; C382-C389 PolarHBondContact SG-SG 3.18Å
383	K	79.1	Confident	73.8	Confident	124 Å²	124	70.7 Å²	70.7	54%	0.539	40%	0.396	S	S	.	.	S	Bend	trans	-120.1	139.7	-177.7	-69.8	179.3	-176.8	166.3	0	110.1	N378 D380 G381 S385	N378-K383 VanDerWaalsContact ND2-CB 3.35Å; N378-K383 WeakPolarHBondContact ND2-CB 3.41Å; D380-K383 HydrophobicContact CB-CD 4.34Å; D380-K383 PolarHBondContact O-N 2.57Å; D380-K383 VanDerWaalsContact OD2-CD 3.27Å; D380-K383 WeakPolarHBondContact OD2-CD 3.15Å; D380-K383 WeakPolarHBondContact OD2-CE 3.31Å; D380-K383 IonicContact OD2-NZ 3.7Å; D380-K383 PolarHBondContact OD2-NZ 3.19Å; G381-K383 VanDerWaalsContact C-N 3.3Å; K383-S385 PolarHBondContact O-N 3Å; K383-S385 VanDerWaalsContact O-N 3.1Å
384	N	74.4	Confident	75.4	Confident	155 Å²	155	70 Å²	70	83%	0.829	40%	0.402	S	S	*	.	S	Bend	trans	56.2	23.8	175.6	-56.9	-25.2	0	0	0	115
385	S	78.5	Confident	77	Confident	4 Å²	4	72.3 Å²	72.3	3%	0.028	41%	0.413	C	S	.	.	S	Bend	trans	-120.9	-5.5	-173.2	65.3	0	0	0	0	115.6	G381 K383 L387 Y399 T400	G381-S385 WeakPolarHBondContact O-CB 3.36Å; G381-S385 PolarHBondContact O-OG 3.08Å; K383-S385 PolarHBondContact O-N 3Å; K383-S385 VanDerWaalsContact O-N 3.1Å; S385-L387 PolarHBondContact O-N 3.21Å; S385-L387 WeakPolarHBondContact OG-CB 3.43Å; S385-L387 PolarHBondContact OG-N 2.96Å; S385-L387 VanDerWaalsContact OG-N 3.13Å; S385-Y399 VanDerWaalsContact CB-CD2 3.41Å; S385-T400 CarbonylContact C-O 3.4Å; S385-T400 WeakPolarHBondContact CA-O 3.01Å; S385-T400 WeakPolarHBondContact O-CA 3.32Å; S385-T400 WeakPolarHBondContact O-CB 3.38Å; S385-T400 PolarHBondContact O-N 2.97Å; S385-T400 VanDerWaalsContact O-O 3.06Å
386	G	79.1	Confident	78.4	Confident	72 Å²	72	69.6 Å²	69.6	74%	0.742	40%	0.401	S	S	*	.	S	Bend	trans	77.6	-10	-167.5	0	0	0	0	0	114.6
387	L	81.9	Confident	79.6	Confident	9 Å²	9	69.7 Å²	69.7	5%	0.047	40%	0.402	C	S	.	.			trans	-75.5	126.3	170.9	-70.5	-178	0	0	0	110.8	F350 V359 S385 L391 V397 T398 Y399	F350-L387 HydrophobicContact CE1-CD1 4.36Å; F350-L387 HydrophobicContact CE1-CD2 4.43Å; F350-L387 HydrophobicContact CZ-CD1 4.06Å; F350-L387 HydrophobicContact CZ-CD2 4.26Å; V359-L387 HydrophobicContact CB-CD1 4.47Å; V359-L387 HydrophobicContact CG1-CD1 4.24Å; V359-L387 HydrophobicContact CG2-CD1 4.41Å; S385-L387 PolarHBondContact O-N 3.21Å; S385-L387 WeakPolarHBondContact OG-CB 3.43Å; S385-L387 PolarHBondContact OG-N 2.96Å; S385-L387 VanDerWaalsContact OG-N 3.13Å; L387-L391 HydrophobicContact CD2-CD2 4.34Å; L387-V397 HydrophobicContact CD2-CB 3.86Å; L387-V397 HydrophobicContact CD2-CG2 3.93Å; L387-T398 WeakPolarHBondContact CD2-O 3.43Å; L387-Y399 HydrophobicContact CD1-CD2 3.69Å; L387-Y399 HydrophobicContact CD1-CG 4.27Å; L387-Y399 HydrophobicContact CG-CD2 4.12Å
388	V	81.1	Confident	80.8	Confident	127 Å²	127	67.1 Å²	67.1	77%	0.77	38%	0.384	S	S	*	.			trans	-95.2	105.2	162.9	-177.6	0	0	0	0	107.5	L391	V388-L391 WeakPolarHBondContact O-CD2 3.48Å
389	C	78	Confident	81.7	Confident	27 Å²	27	65.6 Å²	65.6	18%	0.182	38%	0.375	C	S	.	.	S	Bend	trans	-73.1	155.3	178.3	-74	0	0	0	0	112.6	C382	C382-C389 WeakPolarHBondContact CA-SG 3.19Å; C382-C389 HydrophobicContact CB-CB 3.56Å; C382-C389 WeakPolarHBondContact CB-SG 3.17Å; C382-C389 WeakPolarHBondContact SG-CB 3.24Å; C382-C389 CovalentContact SG-SG 2Å; C382-C389 PolarHBondContact SG-SG 3.18Å
390	D	82.2	Confident	82.6	Confident	86 Å²	86	64.1 Å²	64.1	46%	0.46	37%	0.365	S	S	.	.	S	Bend	trans	87.8	45.5	-135.6	-79.4	10.9	0	0	0	113	R355 T356 T357 I392	R355-D390 IonicContact NH2-OD1 3.33Å; R355-D390 IonicContact NH2-OD2 3.13Å; R355-D390 PolarHBondContact NH2-OD2 2.79Å; T356-D390 PolarHBondContact O-N 2.79Å; T357-D390 WeakPolarHBondContact CG2-OD1 3.31Å; D390-I392 PolarHBondContact O-N 2.82Å
391	L	83	Confident	83.1	Confident	5 Å²	5	62.9 Å²	62.9	3%	0.026	36%	0.358	C	S	.	.	B	Isolated β-bridge	trans	-64.8	126.6	176.9	-48.5	-178.1	0	0	0	110	F350 P352 R355 T356 V359 L387 V388 V397	F350-L391 HydrophobicContact CE2-CD1 3.84Å; F350-L391 HydrophobicContact CZ-CD1 4.05Å; P352-L391 HydrophobicContact CB-CB 4.45Å; P352-L391 HydrophobicContact CG-CB 4.06Å; R355-L391 WeakPolarHBondContact CA-O 3.15Å; T356-L391 HydrophobicContact CG2-CD1 4.35Å; T356-L391 PolarHBondContact N-O 2.77Å; T356-L391 VanDerWaalsContact N-O 3.1Å; T356-L391 PolarHBondContact O-N 2.8Å; V359-L391 HydrophobicContact CG2-CD1 3.71Å; L387-L391 HydrophobicContact CD2-CD2 4.34Å; V388-L391 WeakPolarHBondContact O-CD2 3.48Å; L391-V397 HydrophobicContact CD1-CG2 4.2Å; L391-V397 HydrophobicContact CD2-CB 4.42Å; L391-V397 HydrophobicContact CD2-CG1 4.1Å; L391-V397 HydrophobicContact CD2-CG2 4.18Å
392	I	85.4	Confident	83.5	Confident	104 Å²	104	71.2 Å²	71.2	53%	0.533	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-83.5	129.5	179.6	-57.2	171.7	0	0	0	108.3	P352 D390 G394 K395	P352-I392 WeakPolarHBondContact CG-O 3.5Å; D390-I392 PolarHBondContact O-N 2.82Å; I392-G394 PolarHBondContact O-N 3.38Å; I392-K395 HydrophobicContact CB-CB 4.1Å; I392-K395 HydrophobicContact CB-CD 4.42Å; I392-K395 HydrophobicContact CD1-CD 4.24Å; I392-K395 HydrophobicContact CG2-CB 4.48Å; I392-K395 WeakPolarHBondContact O-CB 3.35Å; I392-K395 PolarHBondContact O-N 3.28Å
393	E	85.2	Confident	83.5	Confident	121 Å²	121	70.9 Å²	70.9	57%	0.565	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.3	135.9	173.6	-179	-179.8	161.9	0	0	111.8	P352 K353 K395	P352-E393 WeakPolarHBondContact O-CA 3.28Å; K353-E393 WeakPolarHBondContact O-CG 3.35Å; E393-K395 PolarHBondContact O-N 3.48Å; E393-K395 VanDerWaalsContact O-N 3.14Å
394	G	85.8	Confident	83.3	Confident	54 Å²	54	68.1 Å²	68.1	56%	0.557	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.5	-7.5	177.8	0	0	0	0	0	115.3	I351 P352 I392	I351-G394 VanDerWaalsContact CG2-C 3.47Å; I351-G394 VanDerWaalsContact CG2-CA 3.45Å; P352-G394 PolarHBondContact O-N 2.71Å; I392-G394 PolarHBondContact O-N 3.38Å
395	K	90.8	Very high	83.2	Confident	125 Å²	125	62.5 Å²	62.5	54%	0.543	35%	0.349	S	S	.	.			trans	-94	120.7	177.7	-173.2	-179.8	178.2	-177.5	0	111	P352 I392 E393 V397	P352-K395 WeakPolarHBondContact CD-O 3.4Å; I392-K395 HydrophobicContact CB-CB 4.1Å; I392-K395 HydrophobicContact CB-CD 4.42Å; I392-K395 HydrophobicContact CD1-CD 4.24Å; I392-K395 HydrophobicContact CG2-CB 4.48Å; I392-K395 WeakPolarHBondContact O-CB 3.35Å; I392-K395 PolarHBondContact O-N 3.28Å; E393-K395 PolarHBondContact O-N 3.48Å; E393-K395 VanDerWaalsContact O-N 3.14Å; K395-V397 PolarHBondContact O-N 3.19Å
396	E	91.1	Very high	82.5	Confident	106 Å²	106	66.9 Å²	66.9	50%	0.495	38%	0.378	S	S	.	.			trans	-60.9	134.3	174.7	-171	173.2	-110.6	0	0	111.4	T323 A349 F350 I351	T323-E396 WeakPolarHBondContact CB-OE1 3.49Å; T323-E396 WeakPolarHBondContact CG2-OE1 3.48Å; T323-E396 PolarHBondContact OG1-OE1 2.97Å; A349-E396 HydrophobicContact CB-CG 4.4Å; F350-E396 WeakPolarHBondContact O-CA 3.39Å; I351-E396 HydrophobicContact CG1-CB 3.88Å; I351-E396 HydrophobicContact CG1-CG 4.28Å
397	V	89.8	Confident	81.7	Confident	26 Å²	26	68 Å²	68	16%	0.158	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	157	176.1	-65.5	0	0	0	0	109.5	A349 F350 L387 L391 K395	A349-V397 CarbonylContact C-O 3.36Å; A349-V397 VanDerWaalsContact CA-O 3.31Å; A349-V397 WeakPolarHBondContact CA-O 3.05Å; F350-V397 HydrophobicContact CD1-CG2 4.44Å; F350-V397 HydrophobicContact CD2-CG2 3.78Å; F350-V397 HydrophobicContact CE1-CG2 4.08Å; F350-V397 HydrophobicContact CE2-CG2 3.38Å; F350-V397 HydrophobicContact CG-CG2 4.32Å; F350-V397 HydrophobicContact CZ-CG2 3.55Å; F350-V397 PolarHBondContact N-O 2.74Å; F350-V397 PolarHBondContact O-N 3.28Å; L387-V397 HydrophobicContact CD2-CB 3.86Å; L387-V397 HydrophobicContact CD2-CG2 3.93Å; L391-V397 HydrophobicContact CD1-CG2 4.2Å; L391-V397 HydrophobicContact CD2-CB 4.42Å; L391-V397 HydrophobicContact CD2-CG1 4.1Å; L391-V397 HydrophobicContact CD2-CG2 4.18Å; K395-V397 PolarHBondContact O-N 3.19Å
398	T	89.9	Confident	80.5	Confident	64 Å²	64	76.5 Å²	76.5	39%	0.393	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	118.1	-178.6	-51.7	0	0	0	0	110.6	I348 L387	I348-T398 WeakPolarHBondContact O-CA 3.3Å; L387-T398 WeakPolarHBondContact CD2-O 3.43Å
399	Y	85.3	Confident	78.3	Confident	17 Å²	17	75.2 Å²	75.2	7%	0.067	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	128.6	166.8	176	-99.9	0	0	0	109.6	S347 I348 A361 S385 L387 I401	S347-Y399 CarbonylContact C-O 3.49Å; S347-Y399 VanDerWaalsContact CA-O 3.22Å; S347-Y399 WeakPolarHBondContact CA-O 3.28Å; I348-Y399 PolarHBondContact N-O 2.81Å; I348-Y399 PolarHBondContact O-N 3.02Å; A361-Y399 HydrophobicContact CB-CE1 4.15Å; A361-Y399 HydrophobicContact CB-CE2 3.83Å; A361-Y399 VanDerWaalsContact CB-CZ 3.44Å; A361-Y399 WeakPolarHBondContact CB-OH 3.42Å; S385-Y399 VanDerWaalsContact CB-CD2 3.41Å; L387-Y399 HydrophobicContact CD1-CD2 3.69Å; L387-Y399 HydrophobicContact CD1-CG 4.27Å; L387-Y399 HydrophobicContact CG-CD2 4.12Å; Y399-I401 HydrophobicContact CE1-CB 3.95Å; Y399-I401 HydrophobicContact CE1-CG2 3.77Å; Y399-I401 WeakPolarHBondContact OH-CD1 3.37Å
400	T	88.1	Confident	76.3	Confident	46 Å²	46	78.6 Å²	78.6	28%	0.282	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	133.7	-179.6	-53.7	0	0	0	0	109.9	I345 L346 S385	I345-T400 HydrophobicContact CG2-CG2 3.37Å; L346-T400 CarbonylContact O-C 3.59Å; L346-T400 WeakPolarHBondContact O-CA 3.46Å; S385-T400 CarbonylContact C-O 3.4Å; S385-T400 WeakPolarHBondContact CA-O 3.01Å; S385-T400 WeakPolarHBondContact O-CA 3.32Å; S385-T400 WeakPolarHBondContact O-CB 3.38Å; S385-T400 PolarHBondContact O-N 2.97Å; S385-T400 VanDerWaalsContact O-O 3.06Å
401	I	84.1	Confident	73.8	Confident	19 Å²	19	81.7 Å²	81.7	10%	0.097	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	140.8	175.5	-173.6	151.6	0	0	0	111.7	I345 L346 I363 L376 Y399	I345-I401 WeakPolarHBondContact CA-O 3.26Å; L346-I401 HydrophobicContact CB-CG2 3.94Å; L346-I401 HydrophobicContact CD2-CG2 4.3Å; L346-I401 HydrophobicContact CG-CG2 4.44Å; L346-I401 PolarHBondContact N-O 2.03Å; L346-I401 PolarHBondContact O-N 3.28Å; I363-I401 HydrophobicContact CD1-CG2 3.98Å; L376-I401 HydrophobicContact CB-CD1 4.4Å; L376-I401 HydrophobicContact CD1-CD1 4.03Å; L376-I401 HydrophobicContact CD2-CD1 3.57Å; L376-I401 HydrophobicContact CG-CD1 4.19Å; Y399-I401 HydrophobicContact CE1-CB 3.95Å; Y399-I401 HydrophobicContact CE1-CG2 3.77Å; Y399-I401 WeakPolarHBondContact OH-CD1 3.37Å
402	R	83.3	Confident	71.4	Confident	176 Å²	176	87.2 Å²	87.2	66%	0.664	47%	0.465	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.8	123	170.7	-67.1	-174.3	-176.3	153.8	1.5	109.7	I345 P404	I345-R402 HydrophobicContact CG1-CG 4.36Å; R402-P404 WeakPolarHBondContact O-CD 3.33Å
403	M	77.2	Confident	68.6	Low	21 Å²	21	87.4 Å²	87.4	10%	0.103	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	102.6	175.5	-61	-178	-61.7	0	0	108.6	A344 L346 I363 I405	A344-M403 HydrophobicContact CB-CB 4.44Å; A344-M403 HydrophobicContact CB-CE 3.92Å; A344-M403 PolarHBondContact N-O 2.82Å; A344-M403 PolarHBondContact O-N 2.89Å; L346-M403 HydrophobicContact CB-CE 3.79Å; L346-M403 HydrophobicContact CB-SD 4.27Å; I363-M403 HydrophobicContact CD1-CG 4.08Å; I363-M403 HydrophobicContact CD1-SD 3.63Å; M403-I405 PolarHBondContact O-N 3.12Å
404	P	74.6	Confident	66	Low	66 Å²	66	86.6 Å²	86.6	43%	0.429	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	127.6	171.5	23.7	-34	0	0	0	110.7	D343 Y374 R402 P406	D343-P404 WeakPolarHBondContact OD1-CA 3.24Å; Y374-P404 WeakPolarHBondContact OH-CD 3.28Å; Y374-P404 WeakPolarHBondContact OH-CG 3.47Å; Y374-P404 PolarHBondContact OH-O 2.75Å; R402-P404 WeakPolarHBondContact O-CD 3.33Å; P404-P406 WeakPolarHBondContact O-CD 3.06Å
405	I	72.2	Confident	64.1	Low	38 Å²	38	89.2 Å²	89.2	20%	0.195	49%	0.49	C	S	.	.			trans	-92.3	111.3	175.8	-51.2	-65.6	0	0	0	108.1	Y338 G341 H342 A344 M403	Y338-I405 HydrophobicContact CD1-CD1 3.96Å; Y338-I405 HydrophobicContact CD1-CG1 4.29Å; Y338-I405 HydrophobicContact CD2-CD1 4.42Å; Y338-I405 HydrophobicContact CG-CD1 3.88Å; Y338-I405 HydrophobicContact CG-CG1 4.27Å; G341-I405 WeakPolarHBondContact CA-O 3.34Å; G341-I405 PolarHBondContact N-O 3.27Å; H342-I405 WeakPolarHBondContact O-CB 3.37Å; H342-I405 VanDerWaalsContact O-CG1 3.26Å; H342-I405 WeakPolarHBondContact O-CG1 3.23Å; H342-I405 PolarHBondContact O-N 3.06Å; A344-I405 HydrophobicContact CB-CD1 4.22Å; A344-I405 HydrophobicContact CB-CG1 4.41Å; M403-I405 PolarHBondContact O-N 3.12Å
406	P	63.9	Low	61.3	Low	96 Å²	96	93.1 Å²	93.1	62%	0.623	51%	0.508	S	S	*	.			trans	-63.5	142.6	-173.4	25.1	-33.2	0	0	0	111.9	P404 Y408	P404-P406 WeakPolarHBondContact O-CD 3.06Å; P406-Y408 PolarHBondContact O-N 3.38Å
407	V	63.5	Low	58.4	Low	95 Å²	95	96.8 Å²	96.8	58%	0.576	53%	0.525	S	S	*	.			trans	-81.7	91.9	164.1	-173.1	0	0	0	0	106.9	V409	V407-V409 HydrophobicContact CG1-CG2 3.99Å; V407-V409 PolarHBondContact O-N 2.96Å
408	Y	56.6	Low	55.2	Low	187 Å²	187	103.4 Å²	103.4	73%	0.733	56%	0.558	S	S	*	*			trans	-78.4	112.1	167	-152.5	-93.6	0	0	0	107.7	P406 P410	P406-Y408 PolarHBondContact O-N 3.38Å; Y408-P410 WeakPolarHBondContact O-CD 3.4Å
409	V	34.2	Very low	52.5	Low	100 Å²	100	112 Å²	112	61%	0.606	60%	0.601	S	S	*	*			trans	-90.9	102.5	168.4	-163.5	0	0	0	0	106.2	V407 I411	V407-V409 HydrophobicContact CG1-CG2 3.99Å; V407-V409 PolarHBondContact O-N 2.96Å; V409-I411 HydrophobicContact CB-CG1 4.49Å; V409-I411 HydrophobicContact CG1-CG1 4.03Å; V409-I411 PolarHBondContact O-N 3.41Å
410	P	36.6	Very low	50.9	Low	99 Å²	99	116.8 Å²	116.8	64%	0.643	63%	0.628	S	S	*	*			trans	-69.3	91.5	164.2	28.2	-29.4	0	0	0	107.3	Y408 V412	Y408-P410 WeakPolarHBondContact O-CD 3.4Å; P410-V412 PolarHBondContact O-N 2.76Å
411	I	28.7	Very low	48.9	Very low	150 Å²	150	120.5 Å²	120.5	77%	0.769	65%	0.646	S	S	*	*			trans	-72.8	86.1	157	-54.5	173.8	0	0	0	105.5	V409	V409-I411 HydrophobicContact CB-CG1 4.49Å; V409-I411 HydrophobicContact CG1-CG1 4.03Å; V409-I411 PolarHBondContact O-N 3.41Å
412	V	32.4	Very low	47	Very low	122 Å²	122	126.2 Å²	126.2	74%	0.739	68%	0.676	S	S	*	*			trans	-138	97	153.3	-164.4	0	0	0	0	107.4	P410 S414	P410-V412 PolarHBondContact O-N 2.76Å; V412-S414 PolarHBondContact O-N 2.91Å
413	S	27.7	Very low	44.9	Very low	108 Å²	108	123.2 Å²	123.2	76%	0.755	68%	0.677	S	S	*	*			trans	-52.5	118.9	155.9	49.4	0	0	0	0	110
414	S	29.4	Very low	42.8	Very low	103 Å²	103	129.6 Å²	129.6	72%	0.72	71%	0.713	S	S	*	*				168.3	151.5	127	62.2	0	0	0	0	111.2	V412	V412-S414 PolarHBondContact O-N 2.91Å
415	P	46.4	Very low	40.7	Very low	109 Å²	109	133.9 Å²	133.9	71%	0.708	73%	0.732	S	S	*	*			trans	-98.8	135.3	-150.3	35.7	-28	0	0	0	111.7
416	F	32.1	Very low	38.5	Very low	208 Å²	208	140.7 Å²	140.7	91%	0.912	77%	0.77	S	S	*	*			trans	-121.6	121.8	156.6	-90.3	-85.7	0	0	0	109.2
417	H	30	Very low	36.5	Very low	182 Å²	182	144.2 Å²	144.2	84%	0.843	78%	0.781	S	S	*	*			trans	-59.3	139.5	-172.6	-95.1	-87.6	0	0	0	113.2
418	L	23.1	Very low	34.3	Very low	166 Å²	166	148.3 Å²	148.3	87%	0.869	80%	0.798	S	S	*	*			trans	-58.8	128.6	152.5	-81.5	117.6	0	0	0	110.2
419	L	33.9	Very low	32.2	Very low	245 Å²	245	144.7 Å²	144.7	100%	1.283	80%	0.804	S	S	*	*			trans	-141.4	0	137.3	-97.8	167.5	0	0	0	108.2

Retrieved 419 of 419 residues in 287.9 ms (Link to these results)

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