A0A5K4F0N3_SCHMA Loading...

RIBOSOMAL_L9 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F0N3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 244 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	34.9	Very low	40.2	Very low	232 Å²	232	160.8 Å²	160.8	100%	1.143	78%	0.784	S	S	*	*				0	145.1	0	-156.7	-179	-173.9	0	0	108.4
2	L	35.9	Very low	40.3	Very low	124 Å²	124	160.5 Å²	160.5	65%	0.649	79%	0.788	S	S	*	*			trans	85.8	84.3	172.8	-59	162.6	0	0	0	117.8	K4	L2-K4 HydrophobicContact CB-CG 4.3Å; L2-K4 HydrophobicContact CD2-CG 3.93Å
3	I	36.2	Very low	40.2	Very low	174 Å²	174	162.4 Å²	162.4	89%	0.892	79%	0.789	S	S	*	*			trans	-94.9	90.1	142.4	-62.8	172.4	0	0	0	105.9
4	K	39.1	Very low	40.3	Very low	147 Å²	147	159.4 Å²	159.4	64%	0.639	79%	0.789	S	S	*	*			trans	-67.1	127.1	169.2	-74.4	178.2	173.6	-179.1	0	108.9	L2	L2-K4 HydrophobicContact CB-CG 4.3Å; L2-K4 HydrophobicContact CD2-CG 3.93Å
5	S	42.6	Very low	40.9	Very low	103 Å²	103	158.5 Å²	158.5	72%	0.72	80%	0.795	S	S	*	*			trans	24.2	102.6	144.1	62.3	0	0	0	0	117.5
6	L	40.5	Very low	41.5	Very low	167 Å²	167	151.9 Å²	151.9	87%	0.874	78%	0.78	S	S	*	*			trans	-107.4	85.5	161.7	-102.2	135.4	0	0	0	110.6
7	N	36.8	Very low	42.2	Very low	114 Å²	114	152.7 Å²	152.7	61%	0.61	78%	0.784	S	S	*	*			trans	35.1	99.1	140.8	-79.5	-28.6	0	0	0	119.3	Y9	N7-Y9 PolarHBondContact O-N 2.74Å; N7-Y9 VanDerWaalsContact O-N 3.15Å
8	I	46.9	Very low	42.9	Very low	143 Å²	143	155.9 Å²	155.9	73%	0.733	78%	0.784	S	S	*	*	G	3₁₀ helix	trans	-59.9	-13.3	167.3	-67.4	159.8	0	0	0	113.3	R10 L11	I8-R10 PolarHBondContact O-N 3.45Å; I8-L11 HydrophobicContact CG2-CD1 4.28Å; I8-L11 PolarHBondContact O-N 3.17Å
9	Y	40.2	Very low	44	Very low	187 Å²	187	151.9 Å²	151.9	73%	0.733	77%	0.77	S	S	*	*	G	3₁₀ helix	trans	-68.9	-3.5	-176	-65	-73.7	0	0	0	115.9	N7 L11	N7-Y9 PolarHBondContact O-N 2.74Å; N7-Y9 VanDerWaalsContact O-N 3.15Å; Y9-L11 PolarHBondContact O-N 3.14Å
10	R	43.8	Very low	45.2	Very low	236 Å²	236	148.7 Å²	148.7	89%	0.891	76%	0.758	S	S	*	*	G	3₁₀ helix	trans	-70.6	-13	170.5	-97.8	-174.6	178.6	176.7	0.4	114	I8	I8-R10 PolarHBondContact O-N 3.45Å
11	L	45.9	Very low	46.7	Very low	142 Å²	142	144 Å²	144	74%	0.743	74%	0.737	S	S	*	*	G	3₁₀ helix	trans	-84	-4.2	-172	-72.9	167.1	0	0	0	115.5	I8 Y9 K13	I8-L11 HydrophobicContact CG2-CD1 4.28Å; I8-L11 PolarHBondContact O-N 3.17Å; Y9-L11 PolarHBondContact O-N 3.14Å; L11-K13 PolarHBondContact O-N 3.2Å
12	L	41.2	Very low	48.8	Very low	157 Å²	157	135.6 Å²	135.6	82%	0.822	70%	0.699	S	S	*	*			trans	-97.3	50.6	-179.5	-65.7	173.7	0	0	0	112.8
13	K	38.5	Very low	51.1	Low	185 Å²	185	134.3 Å²	134.3	80%	0.804	69%	0.692	S	S	*	*			trans	-92.6	144.7	162.5	-81.3	-168.4	178.3	-174.9	0	110	L11	L11-K13 PolarHBondContact O-N 3.2Å
14	P	42.3	Very low	53.6	Low	121 Å²	121	130.2 Å²	130.2	79%	0.786	67%	0.671	S	S	*	*			trans	-61	161.4	-167.6	26.4	-35.6	0	0	0	112.1	G16	P14-G16 PolarHBondContact O-N 2.95Å
15	V	48.7	Very low	55.8	Low	145 Å²	145	126.3 Å²	126.3	88%	0.879	65%	0.654	S	S	*	*	S	Bend	trans	-59.2	58.4	-173.2	-167	0	0	0	0	112.8
16	G	50.4	Low	58	Low	54 Å²	54	125.3 Å²	125.3	56%	0.557	64%	0.636	S	S	*	*			trans	-90.6	144.8	164	0	0	0	0	0	108.6	P14 R18	P14-G16 PolarHBondContact O-N 2.95Å; G16-R18 PolarHBondContact O-N 3.45Å
17	I	54.6	Low	60.2	Low	165 Å²	165	122.7 Å²	122.7	85%	0.846	62%	0.616	S	S	*	*			trans	10.5	96.6	168.6	-53.1	168.1	0	0	0	112.3	P19	I17-P19 WeakPolarHBondContact O-CD 3.48Å
18	R	54.8	Low	62.4	Low	211 Å²	211	121.9 Å²	121.9	80%	0.796	62%	0.617	S	S	*	*			trans	-59	117.4	173.1	-66	-175.3	-177.4	-157.4	0.9	106.7	G16 V20	G16-R18 PolarHBondContact O-N 3.45Å; R18-V20 PolarHBondContact O-N 3.02Å
19	P	63.4	Low	63.7	Low	80 Å²	80	119.5 Å²	119.5	52%	0.519	60%	0.599	S	S	.	*			trans	-60.9	116.9	172.6	24.9	-31.2	0	0	0	106.9	I17 V21 M56	I17-P19 WeakPolarHBondContact O-CD 3.48Å; P19-V21 PolarHBondContact O-N 3.39Å; P19-M56 HydrophobicContact CB-CE 4.44Å
20	V	68.2	Low	65.3	Low	87 Å²	87	120.1 Å²	120.1	53%	0.527	61%	0.605	S	S	.	*			trans	-79.3	115.7	171.9	-179.3	0	0	0	0	106.2	R18 E57	R18-V20 PolarHBondContact O-N 3.02Å; V20-E57 PolarHBondContact O-N 3.31Å
21	V	75.3	Confident	66.3	Low	51 Å²	51	115.2 Å²	115.2	31%	0.309	60%	0.601	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-108.7	118	177.9	-171.3	0	0	0	0	108	P19 L23 E53 M56	P19-V21 PolarHBondContact O-N 3.39Å; V21-L23 HydrophobicContact CG1-CD2 3.85Å; V21-L23 PolarHBondContact O-N 3.01Å; V21-E53 HydrophobicContact CG1-CB 4.08Å; V21-E53 HydrophobicContact CG1-CG 3.84Å; V21-M56 HydrophobicContact CB-SD 3.92Å; V21-M56 HydrophobicContact CG1-SD 3.46Å; V21-M56 WeakPolarHBondContact CG1-SD 3.44Å; V21-M56 HydrophobicContact CG2-CE 3.8Å; V21-M56 HydrophobicContact CG2-SD 3.31Å; V21-M56 WeakPolarHBondContact CG2-SD 3.36Å
22	T	80.5	Confident	66.9	Low	55 Å²	55	112.5 Å²	112.5	34%	0.337	59%	0.592	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-82.6	112.4	169.8	-54.1	0	0	0	0	108.7	V54 K55	T22-V54 PolarHBondContact O-N 3.29Å; T22-K55 PolarHBondContact N-O 2.7Å; T22-K55 PolarHBondContact O-N 3.36Å
23	L	84.3	Confident	67.9	Low	97 Å²	97	106.9 Å²	106.9	51%	0.508	57%	0.565	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-92.5	131.5	173.9	-59.9	-179.7	0	0	0	110	V21 Y51 E53	V21-L23 HydrophobicContact CG1-CD2 3.85Å; V21-L23 PolarHBondContact O-N 3.01Å; L23-Y51 HydrophobicContact CB-CD1 4.11Å; L23-Y51 HydrophobicContact CB-CG 4.46Å; L23-E53 HydrophobicContact CD2-CB 4.35Å; L23-E53 HydrophobicContact CD2-CG 3.6Å
24	I	87.3	Confident	69.4	Low	88 Å²	88	104.3 Å²	104.3	45%	0.451	56%	0.559	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-116.8	148.3	169	-54.8	-170.6	0	0	0	108.1	K26 Y51 E52 V54	I24-K26 PolarHBondContact O-N 3.19Å; I24-Y51 CarbonylContact O-C 3.53Å; I24-Y51 WeakPolarHBondContact O-CA 3.25Å; I24-E52 PolarHBondContact N-O 2.65Å; I24-E52 PolarHBondContact O-N 3.39Å; I24-V54 HydrophobicContact CB-CB 4.36Å; I24-V54 HydrophobicContact CB-CG2 3.48Å; I24-V54 VanDerWaalsContact CB-CG2 3.48Å; I24-V54 HydrophobicContact CD1-CB 3.67Å; I24-V54 HydrophobicContact CD1-CG1 3.68Å; I24-V54 HydrophobicContact CD1-CG2 3.57Å; I24-V54 HydrophobicContact CG1-CB 3.75Å; I24-V54 HydrophobicContact CG1-CG1 4.34Å; I24-V54 HydrophobicContact CG1-CG2 3.43Å; I24-V54 VanDerWaalsContact CG1-CG2 3.43Å
25	K	86.1	Confident	70.7	Confident	65 Å²	65	102.1 Å²	102.1	28%	0.283	54%	0.54	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	129.3	173.2	-74.8	-169.8	171.3	-164.2	0	110.6	D48 Y51	K25-D48 WeakPolarHBondContact CE-O 3.5Å; K25-D48 PolarHBondContact NZ-O 3.29Å; K25-Y51 HydrophobicContact CG-CD1 4.05Å; K25-Y51 HydrophobicContact CG-CE1 3.58Å
26	K	88.2	Confident	71.8	Confident	82 Å²	82	99.6 Å²	99.6	36%	0.357	52%	0.521	S	S	.	.	S	Bend	trans	-62.4	-46.8	173.8	-179.7	168.1	-172.1	123.9	0	111.7	I24 P28 V50 E52	I24-K26 PolarHBondContact O-N 3.19Å; K26-P28 WeakPolarHBondContact O-CD 3.39Å; K26-V50 HydrophobicContact CB-CB 4.09Å; K26-V50 HydrophobicContact CB-CG1 3.79Å; K26-V50 WeakPolarHBondContact CB-O 3.2Å; K26-V50 HydrophobicContact CD-CB 4.48Å; K26-V50 HydrophobicContact CD-CG1 3.58Å; K26-V50 HydrophobicContact CG-CG1 4.28Å; K26-V50 PolarHBondContact N-O 3.24Å; K26-E52 HydrophobicContact CB-CG 3.85Å; K26-E52 HydrophobicContact CD-CG 4.08Å; K26-E52 WeakPolarHBondContact CD-OE1 3.21Å; K26-E52 WeakPolarHBondContact CE-OE1 3.31Å; K26-E52 HydrophobicContact CG-CG 3.98Å; K26-E52 VanDerWaalsContact CG-OE1 3.25Å; K26-E52 WeakPolarHBondContact CG-OE1 3.25Å; K26-E52 IonicContact NZ-OE1 2.7Å; K26-E52 PolarHBondContact NZ-OE1 3.36Å
27	Y	87.4	Confident	73	Confident	112 Å²	112	101.1 Å²	101.1	44%	0.439	53%	0.529	S	S	.	.	S	Bend	trans	-107.7	89.8	176.1	-54.7	-67	0	0	0	108	R29 D47 V50	Y27-R29 PolarHBondContact O-N 3.49Å; Y27-D47 HydrophobicContact CD2-CB 3.71Å; Y27-D47 WeakPolarHBondContact CD2-O 3.38Å; Y27-D47 HydrophobicContact CE2-CB 4.3Å; Y27-D47 HydrophobicContact CG-CB 4.22Å; Y27-V50 HydrophobicContact CD2-CB 4.16Å; Y27-V50 HydrophobicContact CD2-CG2 4.39Å; Y27-V50 HydrophobicContact CE2-CB 4.22Å; Y27-V50 HydrophobicContact CE2-CG2 4.23Å
28	P	82.3	Confident	74.3	Confident	97 Å²	97	99.4 Å²	99.4	63%	0.63	52%	0.518	S	S	*	.			trans	-61.3	138	172.1	26.1	-33.1	0	0	0	108.7	K26 K30	K26-P28 WeakPolarHBondContact O-CD 3.39Å; P28-K30 PolarHBondContact O-N 3.43Å; P28-K30 VanDerWaalsContact O-N 3.14Å
29	R	75.5	Confident	75.5	Confident	93 Å²	93	92.7 Å²	92.7	35%	0.351	51%	0.514	S	S	.	.			trans	-58	124.1	173.4	-75.8	-176.3	172.3	-168.7	-10.2	108.3	Y27 V31 P42 L44 D48	Y27-R29 PolarHBondContact O-N 3.49Å; R29-V31 PolarHBondContact O-N 3.19Å; R29-P42 PolarHBondContact NH2-O 3.21Å; R29-L44 VanDerWaalsContact NH2-CD2 3.34Å; R29-D48 WeakPolarHBondContact CG-OD1 3.48Å; R29-D48 IonicContact CZ-OD2 3.27Å; R29-D48 VanDerWaalsContact CZ-OD2 3.27Å; R29-D48 IonicContact NE-OD1 3.21Å; R29-D48 PolarHBondContact NE-OD1 2.75Å; R29-D48 IonicContact NE-OD2 2.95Å; R29-D48 PolarHBondContact NE-OD2 3.21Å; R29-D48 IonicContact NH2-OD2 2.75Å; R29-D48 PolarHBondContact NH2-OD2 2.95Å
30	K	72	Confident	76.3	Confident	200 Å²	200	93.2 Å²	93.2	87%	0.87	51%	0.511	S	S	*	.			trans	-61.1	109	167.1	-64.6	-178.7	-178.3	179.3	0	106.4	P28	P28-K30 PolarHBondContact O-N 3.43Å; P28-K30 VanDerWaalsContact O-N 3.14Å
31	V	66.5	Low	76.6	Confident	132 Å²	132	94 Å²	94	80%	0.8	52%	0.52	S	S	*	.	S	Bend	trans	16.8	134	156.7	-160	0	0	0	0	116.4	R29 S33	R29-V31 PolarHBondContact O-N 3.19Å; V31-S33 PolarHBondContact O-N 2.97Å
32	P	57.7	Low	76.7	Confident	86 Å²	86	92.9 Å²	92.9	56%	0.558	52%	0.515	S	S	*	.			trans	-49.7	130	-130.2	32.6	-31.3	0	0	0	110.9	I34 L36	P32-I34 PolarHBondContact O-N 3.5Å; P32-L36 HydrophobicContact CB-CB 4.43Å
33	S	62.4	Low	76.7	Confident	38 Å²	38	99.8 Å²	99.8	27%	0.266	54%	0.54	S	S	.	.			trans	-49.2	133.4	167.3	50.9	0	0	0	0	107.5	V31 L35 L36 A37 P42	V31-S33 PolarHBondContact O-N 2.97Å; S33-L35 CarbonylContact O-C 3.58Å; S33-L35 PolarHBondContact O-N 3.19Å; S33-L36 WeakPolarHBondContact O-CA 3.42Å; S33-L36 WeakPolarHBondContact O-CB 3.49Å; S33-L36 PolarHBondContact O-N 3.41Å; S33-L36 WeakPolarHBondContact OG-CB 3.46Å; S33-L36 PolarHBondContact OG-N 2.99Å; S33-A37 PolarHBondContact O-N 2.78Å; S33-P42 WeakPolarHBondContact OG-CG 3.19Å
34	I	69.2	Low	76.5	Confident	132 Å²	132	100 Å²	100	68%	0.677	54%	0.541	S	S	*	.	H	α-helix	trans	-46.3	-37.4	173.5	-64.1	158.5	0	0	0	109.8	P32 L36 A37 E38	P32-I34 PolarHBondContact O-N 3.5Å; I34-L36 VanDerWaalsContact C-N 3.34Å; I34-L36 PolarHBondContact O-N 3.14Å; I34-A37 WeakPolarHBondContact O-CA 3.17Å; I34-A37 WeakPolarHBondContact O-CB 3.38Å; I34-A37 PolarHBondContact O-N 3.43Å; I34-E38 HydrophobicContact CG2-CG 4.45Å; I34-E38 WeakPolarHBondContact O-CG 3.4Å; I34-E38 PolarHBondContact O-N 2.87Å
35	L	71.2	Confident	76.4	Confident	74 Å²	74	99.8 Å²	99.8	39%	0.387	54%	0.544	S	S	.	.	H	α-helix	trans	-49.5	-46.5	170.2	-60.2	177.3	0	0	0	114	S33 A37 E38 G39 I40 P42	S33-L35 CarbonylContact O-C 3.58Å; S33-L35 PolarHBondContact O-N 3.19Å; L35-A37 VanDerWaalsContact C-N 3.31Å; L35-A37 PolarHBondContact O-N 3.15Å; L35-E38 CarbonylContact O-C 3.51Å; L35-E38 PolarHBondContact O-N 3.39Å; L35-G39 PolarHBondContact O-N 3.45Å; L35-G39 VanDerWaalsContact O-N 3.14Å; L35-I40 CarbonylContact C-O 3.52Å; L35-I40 HydrophobicContact CB-CB 4.16Å; L35-I40 HydrophobicContact CB-CG2 4.48Å; L35-I40 WeakPolarHBondContact CB-O 3.5Å; L35-I40 HydrophobicContact CD2-CD1 4.29Å; L35-I40 HydrophobicContact CD2-CG2 4.5Å; L35-I40 CarbonylContact O-C 3.49Å; L35-I40 WeakPolarHBondContact O-CA 3.33Å; L35-I40 WeakPolarHBondContact O-CB 3.48Å; L35-I40 PolarHBondContact O-N 2.91Å; L35-P42 HydrophobicContact CD1-CB 3.95Å
36	L	70.9	Confident	76.5	Confident	92 Å²	92	100.3 Å²	100.3	48%	0.482	56%	0.561	S	S	.	*	H	α-helix	trans	-65.8	-36.5	179.1	-138.3	109.9	0	0	0	111.3	P32 S33 I34 E38 G39 I40 P42	P32-L36 HydrophobicContact CB-CB 4.43Å; S33-L36 WeakPolarHBondContact O-CA 3.42Å; S33-L36 WeakPolarHBondContact O-CB 3.49Å; S33-L36 PolarHBondContact O-N 3.41Å; S33-L36 WeakPolarHBondContact OG-CB 3.46Å; S33-L36 PolarHBondContact OG-N 2.99Å; I34-L36 VanDerWaalsContact C-N 3.34Å; I34-L36 PolarHBondContact O-N 3.14Å; L36-E38 VanDerWaalsContact C-N 3.31Å; L36-G39 PolarHBondContact O-N 2.84Å; L36-I40 PolarHBondContact N-O 3.18Å; L36-P42 HydrophobicContact CD1-CG 4.32Å
37	A	74.9	Confident	76.5	Confident	87 Å²	87	100.7 Å²	100.7	72%	0.719	57%	0.567	S	S	*	*	H	α-helix	trans	-69.8	-30.9	175.9	0	0	0	0	0	111.9	S33 I34 L35 G39	S33-A37 PolarHBondContact O-N 2.78Å; I34-A37 WeakPolarHBondContact O-CA 3.17Å; I34-A37 WeakPolarHBondContact O-CB 3.38Å; I34-A37 PolarHBondContact O-N 3.43Å; L35-A37 VanDerWaalsContact C-N 3.31Å; L35-A37 PolarHBondContact O-N 3.15Å; A37-G39 PolarHBondContact O-N 3.36Å
38	E	81.6	Confident	76.3	Confident	129 Å²	129	96 Å²	96	60%	0.603	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-0.7	171.4	-66.8	174.6	174	0	0	113.3	I34 L35 L36 I40	I34-E38 HydrophobicContact CG2-CG 4.45Å; I34-E38 WeakPolarHBondContact O-CG 3.4Å; I34-E38 PolarHBondContact O-N 2.87Å; L35-E38 CarbonylContact O-C 3.51Å; L35-E38 PolarHBondContact O-N 3.39Å; L36-E38 VanDerWaalsContact C-N 3.31Å; E38-I40 HydrophobicContact CB-CD1 4.43Å; E38-I40 HydrophobicContact CB-CG1 4.49Å
39	G	80.9	Confident	76.5	Confident	70 Å²	70	97 Å²	97	72%	0.722	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.5	7.5	-178.4	0	0	0	0	0	114.9	L35 L36 A37	L35-G39 PolarHBondContact O-N 3.45Å; L35-G39 VanDerWaalsContact O-N 3.14Å; L36-G39 PolarHBondContact O-N 2.84Å; A37-G39 PolarHBondContact O-N 3.36Å
40	I	80.1	Confident	77.3	Confident	90 Å²	90	95.2 Å²	95.2	46%	0.462	55%	0.546	S	S	.	.			trans	-93.3	114.2	177.6	-55.1	170.9	0	0	0	109.1	L35 L36 E38 P42	L35-I40 CarbonylContact C-O 3.52Å; L35-I40 HydrophobicContact CB-CB 4.16Å; L35-I40 HydrophobicContact CB-CG2 4.48Å; L35-I40 WeakPolarHBondContact CB-O 3.5Å; L35-I40 HydrophobicContact CD2-CD1 4.29Å; L35-I40 HydrophobicContact CD2-CG2 4.5Å; L35-I40 CarbonylContact O-C 3.49Å; L35-I40 WeakPolarHBondContact O-CA 3.33Å; L35-I40 WeakPolarHBondContact O-CB 3.48Å; L35-I40 PolarHBondContact O-N 2.91Å; L36-I40 PolarHBondContact N-O 3.18Å; E38-I40 HydrophobicContact CB-CD1 4.43Å; E38-I40 HydrophobicContact CB-CG1 4.49Å; I40-P42 VanDerWaalsContact O-CD 3.25Å; I40-P42 WeakPolarHBondContact O-CD 3.33Å
41	S	75.5	Confident	78.1	Confident	103 Å²	103	91.5 Å²	91.5	72%	0.72	53%	0.527	S	S	*	.			trans	-70.9	115.1	172.5	60.3	0	0	0	0	110.1
42	P	75.6	Confident	79.1	Confident	29 Å²	29	89.4 Å²	89.4	19%	0.188	51%	0.509	C	S	.	.	P	Polyproline II helix	trans	-70.6	139.4	178.2	31.2	-35.4	0	0	0	109.9	R29 S33 L35 L36 I40 L44	R29-P42 PolarHBondContact NH2-O 3.21Å; S33-P42 WeakPolarHBondContact OG-CG 3.19Å; L35-P42 HydrophobicContact CD1-CB 3.95Å; L36-P42 HydrophobicContact CD1-CG 4.32Å; I40-P42 VanDerWaalsContact O-CD 3.25Å; I40-P42 WeakPolarHBondContact O-CD 3.33Å; P42-L44 PolarHBondContact O-N 3.44Å
43	K	81.8	Confident	80.3	Confident	200 Å²	200	91.7 Å²	91.7	87%	0.87	51%	0.512	S	S	*	.	P	Polyproline II helix	trans	-53.6	133.5	176.4	-69.2	-177.2	178.7	178.4	0	109.9	T45	K43-T45 PolarHBondContact O-N 3.29Å
44	L	80.6	Confident	81.2	Confident	101 Å²	101	93.3 Å²	93.3	53%	0.529	52%	0.52	S	S	.	.	P	Polyproline II helix	trans	-65.8	119.9	176.4	-70.7	159.4	0	0	0	109.1	R29 P42 D48 M49	R29-L44 VanDerWaalsContact NH2-CD2 3.34Å; P42-L44 PolarHBondContact O-N 3.44Å; L44-D48 HydrophobicContact CB-CB 4.32Å; L44-D48 HydrophobicContact CD2-CB 3.64Å; L44-M49 HydrophobicContact CB-CE 3.8Å; L44-M49 HydrophobicContact CD1-CE 4.41Å
45	T	84.8	Confident	81.2	Confident	83 Å²	83	93.3 Å²	93.3	51%	0.509	52%	0.515	S	S	.	.	P	Polyproline II helix	trans	-74.9	162.1	168.8	26.2	0	0	0	0	110.5	K43 D47 D48	K43-T45 PolarHBondContact O-N 3.29Å; T45-D47 PolarHBondContact O-N 2.99Å; T45-D48 PolarHBondContact N-OD2 3.02Å; T45-D48 WeakPolarHBondContact O-CB 3.46Å; T45-D48 PolarHBondContact O-N 3.15Å
46	A	87.4	Confident	80.7	Confident	77 Å²	77	93.8 Å²	93.8	64%	0.636	52%	0.516	S	S	*	.	G	3₁₀ helix	trans	-54.1	-36.6	174.3	0	0	0	0	0	111.6	D48 M49 V50	A46-D48 VanDerWaalsContact C-N 3.33Å; A46-D48 PolarHBondContact O-N 3.05Å; A46-M49 PolarHBondContact O-N 3.05Å; A46-M49 VanDerWaalsContact O-N 3.15Å; A46-V50 WeakPolarHBondContact O-CG2 3.28Å
47	D	87.4	Confident	80.3	Confident	90 Å²	90	94.8 Å²	94.8	48%	0.481	52%	0.519	S	S	.	.	G	3₁₀ helix	trans	-61.8	-36.6	176.2	-61.9	-18	0	0	0	112.8	Y27 T45 M49 V50	Y27-D47 HydrophobicContact CD2-CB 3.71Å; Y27-D47 WeakPolarHBondContact CD2-O 3.38Å; Y27-D47 HydrophobicContact CE2-CB 4.3Å; Y27-D47 HydrophobicContact CG-CB 4.22Å; T45-D47 PolarHBondContact O-N 2.99Å; D47-M49 PolarHBondContact O-N 3.36Å; D47-V50 PolarHBondContact O-N 2.72Å
48	D	84.1	Confident	79.4	Confident	13 Å²	13	94.4 Å²	94.4	7%	0.07	51%	0.507	C	S	.	.	G	3₁₀ helix	trans	-65.9	-19.7	178.2	-80.9	-35.5	0	0	0	113.1	K25 R29 L44 T45 A46	K25-D48 WeakPolarHBondContact CE-O 3.5Å; K25-D48 PolarHBondContact NZ-O 3.29Å; R29-D48 WeakPolarHBondContact CG-OD1 3.48Å; R29-D48 IonicContact CZ-OD2 3.27Å; R29-D48 VanDerWaalsContact CZ-OD2 3.27Å; R29-D48 IonicContact NE-OD1 3.21Å; R29-D48 PolarHBondContact NE-OD1 2.75Å; R29-D48 IonicContact NE-OD2 2.95Å; R29-D48 PolarHBondContact NE-OD2 3.21Å; R29-D48 IonicContact NH2-OD2 2.75Å; R29-D48 PolarHBondContact NH2-OD2 2.95Å; L44-D48 HydrophobicContact CB-CB 4.32Å; L44-D48 HydrophobicContact CD2-CB 3.64Å; T45-D48 PolarHBondContact N-OD2 3.02Å; T45-D48 WeakPolarHBondContact O-CB 3.46Å; T45-D48 PolarHBondContact O-N 3.15Å; A46-D48 VanDerWaalsContact C-N 3.33Å; A46-D48 PolarHBondContact O-N 3.05Å
49	M	87.3	Confident	78.4	Confident	117 Å²	117	94.7 Å²	94.7	58%	0.576	51%	0.513	S	S	*	.	G	3₁₀ helix	trans	-94.4	-2.5	-178.9	-57.6	-174.7	-175.2	0	0	112.7	L44 A46 D47 Y51	L44-M49 HydrophobicContact CB-CE 3.8Å; L44-M49 HydrophobicContact CD1-CE 4.41Å; A46-M49 PolarHBondContact O-N 3.05Å; A46-M49 VanDerWaalsContact O-N 3.15Å; D47-M49 PolarHBondContact O-N 3.36Å; M49-Y51 VanDerWaalsContact O-CD2 3.28Å; M49-Y51 WeakPolarHBondContact O-CD2 3.09Å
50	V	90.6	Very high	77.6	Confident	56 Å²	56	97.3 Å²	97.3	34%	0.339	51%	0.507	S	S	.	.			trans	-85.7	117.8	177.6	-170.2	0	0	0	0	109.4	K26 Y27 A46 D47	K26-V50 HydrophobicContact CB-CB 4.09Å; K26-V50 HydrophobicContact CB-CG1 3.79Å; K26-V50 WeakPolarHBondContact CB-O 3.2Å; K26-V50 HydrophobicContact CD-CB 4.48Å; K26-V50 HydrophobicContact CD-CG1 3.58Å; K26-V50 HydrophobicContact CG-CG1 4.28Å; K26-V50 PolarHBondContact N-O 3.24Å; Y27-V50 HydrophobicContact CD2-CB 4.16Å; Y27-V50 HydrophobicContact CD2-CG2 4.39Å; Y27-V50 HydrophobicContact CE2-CB 4.22Å; Y27-V50 HydrophobicContact CE2-CG2 4.23Å; A46-V50 WeakPolarHBondContact O-CG2 3.28Å; D47-V50 PolarHBondContact O-N 2.72Å
51	Y	90.2	Very high	77.2	Confident	123 Å²	123	97 Å²	97	48%	0.482	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	143.8	174.3	-65.8	-94.3	0	0	0	110.1	L23 I24 K25 M49	L23-Y51 HydrophobicContact CB-CD1 4.11Å; L23-Y51 HydrophobicContact CB-CG 4.46Å; I24-Y51 CarbonylContact O-C 3.53Å; I24-Y51 WeakPolarHBondContact O-CA 3.25Å; K25-Y51 HydrophobicContact CG-CD1 4.05Å; K25-Y51 HydrophobicContact CG-CE1 3.58Å; M49-Y51 VanDerWaalsContact O-CD2 3.28Å; M49-Y51 WeakPolarHBondContact O-CD2 3.09Å
52	E	87.6	Confident	77.4	Confident	87 Å²	87	95.9 Å²	95.9	41%	0.407	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	137.2	166.4	-81.3	175.4	174.6	0	0	109.1	I24 K26 V54	I24-E52 PolarHBondContact N-O 2.65Å; I24-E52 PolarHBondContact O-N 3.39Å; K26-E52 HydrophobicContact CB-CG 3.85Å; K26-E52 HydrophobicContact CD-CG 4.08Å; K26-E52 WeakPolarHBondContact CD-OE1 3.21Å; K26-E52 WeakPolarHBondContact CE-OE1 3.31Å; K26-E52 HydrophobicContact CG-CG 3.98Å; K26-E52 VanDerWaalsContact CG-OE1 3.25Å; K26-E52 WeakPolarHBondContact CG-OE1 3.25Å; K26-E52 IonicContact NZ-OE1 2.7Å; K26-E52 PolarHBondContact NZ-OE1 3.36Å; E52-V54 PolarHBondContact O-N 3.35Å
53	E	82.6	Confident	77.9	Confident	134 Å²	134	96.5 Å²	96.5	63%	0.626	51%	0.508	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.5	108.6	171.1	-63.2	176.6	-177.4	0	0	107.8	V21 L23	V21-E53 HydrophobicContact CG1-CB 4.08Å; V21-E53 HydrophobicContact CG1-CG 3.84Å; L23-E53 HydrophobicContact CD2-CB 4.35Å; L23-E53 HydrophobicContact CD2-CG 3.6Å
54	V	80.1	Confident	78.3	Confident	72 Å²	72	88.7 Å²	88.7	44%	0.436	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	-35.7	-175.1	177.9	0	0	0	0	111.8	T22 I24 E52	T22-V54 PolarHBondContact O-N 3.29Å; I24-V54 HydrophobicContact CB-CB 4.36Å; I24-V54 HydrophobicContact CB-CG2 3.48Å; I24-V54 VanDerWaalsContact CB-CG2 3.48Å; I24-V54 HydrophobicContact CD1-CB 3.67Å; I24-V54 HydrophobicContact CD1-CG1 3.68Å; I24-V54 HydrophobicContact CD1-CG2 3.57Å; I24-V54 HydrophobicContact CG1-CB 3.75Å; I24-V54 HydrophobicContact CG1-CG1 4.34Å; I24-V54 HydrophobicContact CG1-CG2 3.43Å; I24-V54 VanDerWaalsContact CG1-CG2 3.43Å; E52-V54 PolarHBondContact O-N 3.35Å
55	K	69.7	Low	78.9	Confident	132 Å²	132	88.3 Å²	88.3	57%	0.574	47%	0.473	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.1	106	176.8	-61.8	-177.5	-177.8	178.7	0	109.5	T22 E57	T22-K55 PolarHBondContact N-O 2.7Å; T22-K55 PolarHBondContact O-N 3.36Å; K55-E57 PolarHBondContact O-N 3.27Å
56	M	61.9	Low	79.3	Confident	84 Å²	84	84.4 Å²	84.4	41%	0.414	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	105	155.6	-64.3	-67.7	-71.6	0	0	106	P19 V21 T58	P19-M56 HydrophobicContact CB-CE 4.44Å; V21-M56 HydrophobicContact CB-SD 3.92Å; V21-M56 HydrophobicContact CG1-SD 3.46Å; V21-M56 WeakPolarHBondContact CG1-SD 3.44Å; V21-M56 HydrophobicContact CG2-CE 3.8Å; V21-M56 HydrophobicContact CG2-SD 3.31Å; V21-M56 WeakPolarHBondContact CG2-SD 3.36Å; M56-T58 PolarHBondContact O-N 2.84Å
57	E	61.5	Low	79.6	Confident	114 Å²	114	80.8 Å²	80.8	53%	0.533	42%	0.419	S	S	.	.			trans	-74.3	50.9	167	-67.3	-169.3	176.1	0	0	109.5	V20 K55 N59	V20-E57 PolarHBondContact O-N 3.31Å; K55-E57 PolarHBondContact O-N 3.27Å; E57-N59 VanDerWaalsContact C-N 3.3Å
58	T	56.9	Low	79.9	Confident	78 Å²	78	76.5 Å²	76.5	48%	0.479	40%	0.396	S	S	.	.			trans	-83	-13.2	179	-54.5	0	0	0	0	111.2	M56	M56-T58 PolarHBondContact O-N 2.84Å
59	N	60	Low	80.3	Confident	136 Å²	136	77.7 Å²	77.7	73%	0.727	40%	0.404	S	S	*	.			trans	-133	30.7	-159	-52.3	-39.8	0	0	0	114.6	E57 S61	E57-N59 VanDerWaalsContact C-N 3.3Å; N59-S61 PolarHBondContact O-N 3.38Å
60	E	64.6	Low	80.5	Confident	124 Å²	124	76 Å²	76	58%	0.579	40%	0.397	S	S	*	.			trans	-68.3	115.8	157.2	-71.4	-158.7	176.4	0	0	107.5	R86	E60-R86 IonicContact OE2-CZ 2.72Å; E60-R86 IonicContact OE2-NH1 3.06Å; E60-R86 PolarHBondContact OE2-NH1 3.4Å; E60-R86 IonicContact OE2-NH2 3.21Å; E60-R86 PolarHBondContact OE2-NH2 2.71Å
61	S	70.1	Confident	80.5	Confident	83 Å²	83	74.9 Å²	74.9	58%	0.58	39%	0.389	S	S	*	.			trans	-50.9	128.3	174.5	-65.3	0	0	0	0	108.7	N59 C63	N59-S61 PolarHBondContact O-N 3.38Å; S61-C63 PolarHBondContact O-N 3.36Å
62	P	80	Confident	80.4	Confident	80 Å²	80	69.4 Å²	69.4	52%	0.519	37%	0.369	S	S	.	.	S	Bend	trans	-63.7	-16.6	-179.6	26	-34.5	0	0	0	112	H85 R86	P62-H85 WeakPolarHBondContact O-CA 3.23Å; P62-H85 PolarHBondContact O-CD2 3.18Å; P62-R86 PolarHBondContact O-N 3.4Å
63	C	87.6	Confident	80.4	Confident	43 Å²	43	68.4 Å²	68.4	29%	0.291	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	138.3	177.4	-56.4	0	0	0	0	111.9	S61 V84	S61-C63 PolarHBondContact O-N 3.36Å; C63-V84 CarbonylContact C-O 3.57Å; C63-V84 VanDerWaalsContact CA-O 3.26Å; C63-V84 WeakPolarHBondContact CA-O 3.06Å
64	I	90.4	Very high	80.6	Confident	35 Å²	35	62.8 Å²	62.8	18%	0.179	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	144.7	170.7	-60.2	177.1	0	0	0	108.2	V66 P83 V84 R86 L101	I64-V66 HydrophobicContact CG2-CG2 4.38Å; I64-P83 WeakPolarHBondContact O-CA 3.34Å; I64-V84 PolarHBondContact N-O 2.96Å; I64-V84 PolarHBondContact O-N 3.42Å; I64-R86 HydrophobicContact CD1-CB 3.9Å; I64-R86 HydrophobicContact CD1-CG 3.64Å; I64-R86 HydrophobicContact CG1-CB 4.18Å; I64-R86 HydrophobicContact CG1-CG 4.43Å; I64-L101 HydrophobicContact CG2-CD2 4.06Å
65	N	92.4	Very high	81	Confident	94 Å²	94	59.9 Å²	59.9	50%	0.503	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	129.7	170.1	-66.8	-25.5	0	0	0	110	V81 P102	N65-V81 HydrophobicContact CB-CG1 4.09Å; N65-P102 WeakPolarHBondContact O-CD 3.41Å; N65-P102 WeakPolarHBondContact O-CG 3.3Å
66	V	93.7	Very high	81.9	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	141	-174.1	-175	0	0	0	0	109.5	I64 V81 T82 V84 F89 A99 E100	I64-V66 HydrophobicContact CG2-CG2 4.38Å; V66-V81 CarbonylContact O-C 3.39Å; V66-V81 VanDerWaalsContact O-CA 3.31Å; V66-V81 WeakPolarHBondContact O-CA 3.23Å; V66-T82 PolarHBondContact N-O 3.43Å; V66-T82 PolarHBondContact O-N 3.03Å; V66-V84 HydrophobicContact CG2-CB 4.29Å; V66-V84 HydrophobicContact CG2-CG2 4.47Å; V66-F89 HydrophobicContact CB-CD2 4.18Å; V66-F89 HydrophobicContact CB-CE2 4.35Å; V66-F89 HydrophobicContact CG1-CD2 3.48Å; V66-F89 VanDerWaalsContact CG1-CD2 3.48Å; V66-F89 HydrophobicContact CG1-CE2 3.34Å; V66-F89 HydrophobicContact CG1-CZ 4.36Å; V66-F89 HydrophobicContact CG2-CB 4.3Å; V66-F89 HydrophobicContact CG2-CD2 3.53Å; V66-F89 HydrophobicContact CG2-CE2 3.98Å; V66-F89 HydrophobicContact CG2-CG 3.9Å; V66-A99 HydrophobicContact CG1-CB 3.31Å; V66-E100 VanDerWaalsContact CG1-O 3.23Å; V66-E100 WeakPolarHBondContact CG1-O 3.37Å
67	L	93.8	Very high	83.3	Confident	1 Å²	1	50.5 Å²	50.5	1%	0.005	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	123.6	173.1	178.4	65.5	0	0	0	110	G79 V81 A99 E100 R106 I107 M110	L67-G79 WeakPolarHBondContact CD1-O 3.43Å; L67-V81 HydrophobicContact CD1-CG2 3.91Å; L67-A99 CarbonylContact O-C 3.58Å; L67-A99 VanDerWaalsContact O-CA 3.23Å; L67-A99 WeakPolarHBondContact O-CA 3.42Å; L67-A99 WeakPolarHBondContact O-CB 3.21Å; L67-E100 PolarHBondContact N-O 2.97Å; L67-E100 PolarHBondContact O-N 2.99Å; L67-R106 HydrophobicContact CD2-CB 4.16Å; L67-R106 HydrophobicContact CD2-CG 3.66Å; L67-I107 HydrophobicContact CD2-CG1 4.22Å; L67-M110 HydrophobicContact CD1-CB 4.42Å; L67-M110 HydrophobicContact CD2-CB 4.33Å; L67-M110 HydrophobicContact CD2-CG 3.9Å
68	L	93.8	Very high	84.7	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	126.9	176.5	-58.5	-176.6	0	0	0	111	V72 L75 G79 T80 A99	L68-V72 HydrophobicContact CD2-CG2 4.47Å; L68-L75 HydrophobicContact CD1-CB 3.92Å; L68-L75 HydrophobicContact CD2-CD1 4.32Å; L68-G79 PolarHBondContact O-N 3.48Å; L68-T80 VanDerWaalsContact CD1-OG1 3.29Å; L68-T80 WeakPolarHBondContact CD1-OG1 3.06Å; L68-T80 PolarHBondContact N-O 2.95Å; L68-A99 HydrophobicContact CD2-CB 3.86Å
69	V	92.3	Very high	86.3	Confident	38 Å²	38	43 Å²	43	23%	0.23	25%	0.253	C	S	.	.	S	Bend	trans	-91.7	-32.1	175.6	-179.4	0	0	0	0	110.9	V78 L98 E100	V69-V78 WeakPolarHBondContact O-CG1 3.22Å; V69-V78 WeakPolarHBondContact O-CG2 3.27Å; V69-L98 PolarHBondContact N-O 2.89Å; V69-E100 HydrophobicContact CG2-CB 4.16Å; V69-E100 HydrophobicContact CG2-CG 3.67Å
70	D	90.8	Very high	87.7	Confident	82 Å²	82	38.2 Å²	38.2	44%	0.439	23%	0.229	S	C	.	.	S	Bend	trans	-121.2	164.5	177.1	-158.2	3.8	0	0	0	111.1	V72 L98	D70-V72 PolarHBondContact O-N 3.41Å; D70-L98 HydrophobicContact CB-CD2 3.76Å; D70-L98 PolarHBondContact N-O 3.09Å
71	D	89.7	Confident	89	Confident	32 Å²	32	35.5 Å²	35.5	17%	0.171	22%	0.221	C	C	.	.			trans	-72.6	115.1	177.4	-71.7	-39.2	0	0	0	110.1	S77 V78 K115 V120	D71-S77 WeakPolarHBondContact OD1-CA 3.48Å; D71-S77 VanDerWaalsContact OD1-CB 3.26Å; D71-S77 WeakPolarHBondContact OD1-CB 3.16Å; D71-V78 WeakPolarHBondContact OD1-CG2 3.5Å; D71-V78 PolarHBondContact OD1-N 3.27Å; D71-K115 IonicContact OD2-NZ 3.48Å; D71-K115 PolarHBondContact OD2-NZ 3.49Å; D71-V120 HydrophobicContact CB-CB 4.45Å; D71-V120 HydrophobicContact CB-CG2 3.66Å
72	V	89.5	Confident	90	Very high	9 Å²	9	32.8 Å²	32.8	6%	0.055	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-117.9	120.7	-176.8	-175.1	0	0	0	0	111.7	L68 D70 G74 L75 G76 L98 W231	L68-V72 HydrophobicContact CD2-CG2 4.47Å; D70-V72 PolarHBondContact O-N 3.41Å; V72-G74 PolarHBondContact O-N 3.42Å; V72-L75 HydrophobicContact CB-CB 4.12Å; V72-L75 HydrophobicContact CB-CD1 4.26Å; V72-L75 HydrophobicContact CG1-CB 4.17Å; V72-L75 HydrophobicContact CG1-CD1 3.76Å; V72-L75 HydrophobicContact CG1-CG 4.36Å; V72-L75 PolarHBondContact O-N 3.04Å; V72-L75 VanDerWaalsContact O-N 3.16Å; V72-G76 PolarHBondContact N-O 3.49Å; V72-G76 PolarHBondContact O-N 3.21Å; V72-G76 VanDerWaalsContact O-N 3.11Å; V72-G76 VanDerWaalsContact O-O 3.1Å; V72-L98 HydrophobicContact CG2-CB 4.12Å; V72-L98 HydrophobicContact CG2-CD1 4.37Å; V72-W231 HydrophobicContact CG1-CH2 4.4Å; V72-W231 HydrophobicContact CG1-CZ2 4.13Å
73	P	86	Confident	90.6	Very high	65 Å²	65	31.9 Å²	31.9	42%	0.422	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	131.8	-179.3	23.8	-33.3	0	0	0	112.7	L75 V120 Y126	P73-L75 PolarHBondContact O-N 2.83Å; P73-V120 HydrophobicContact CB-CG1 4.13Å; P73-Y126 HydrophobicContact CB-CD2 4.36Å; P73-Y126 HydrophobicContact CB-CE2 3.81Å
74	G	87.2	Confident	90.8	Very high	16 Å²	16	29.8 Å²	29.8	17%	0.165	18%	0.181	C	C	.	.	B	Isolated β-bridge	trans	83	-24.3	-178.3	0	0	0	0	0	115	V72 L121 Y126	V72-G74 PolarHBondContact O-N 3.42Å; G74-L121 PolarHBondContact N-O 3.19Å; G74-Y126 VanDerWaalsContact CA-CD1 3.46Å; G74-Y126 VanDerWaalsContact CA-CG 3.44Å
75	L	88.1	Confident	90.7	Very high	12 Å²	12	29 Å²	29	6%	0.063	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93	-49.4	179.2	-83.8	173.1	0	0	0	113.1	L68 V72 P73 T82 V84 L93 W231	L68-L75 HydrophobicContact CD1-CB 3.92Å; L68-L75 HydrophobicContact CD2-CD1 4.32Å; V72-L75 HydrophobicContact CB-CB 4.12Å; V72-L75 HydrophobicContact CB-CD1 4.26Å; V72-L75 HydrophobicContact CG1-CB 4.17Å; V72-L75 HydrophobicContact CG1-CD1 3.76Å; V72-L75 HydrophobicContact CG1-CG 4.36Å; V72-L75 PolarHBondContact O-N 3.04Å; V72-L75 VanDerWaalsContact O-N 3.16Å; P73-L75 PolarHBondContact O-N 2.83Å; L75-T82 HydrophobicContact CD2-CG2 3.7Å; L75-T82 PolarHBondContact O-OG1 3.07Å; L75-V84 HydrophobicContact CD1-CG2 4.35Å; L75-V84 HydrophobicContact CD2-CG2 3.65Å; L75-L93 HydrophobicContact CD1-CD1 3.96Å; L75-L93 HydrophobicContact CD1-CD2 4.12Å; L75-W231 HydrophobicContact CD1-CD2 3.43Å; L75-W231 VanDerWaalsContact CD1-CD2 3.43Å; L75-W231 HydrophobicContact CD1-CE3 3.49Å; L75-W231 VanDerWaalsContact CD1-CE3 3.49Å; L75-W231 HydrophobicContact CD1-CG 4Å; L75-W231 HydrophobicContact CD1-CH2 4.06Å; L75-W231 HydrophobicContact CD1-CZ2 3.99Å; L75-W231 HydrophobicContact CD1-CZ3 3.82Å; L75-W231 HydrophobicContact CD2-CB 3.63Å; L75-W231 HydrophobicContact CD2-CD2 3.9Å; L75-W231 HydrophobicContact CD2-CE3 4.41Å; L75-W231 HydrophobicContact CD2-CG 3.53Å; L75-W231 HydrophobicContact CG-CB 4.28Å; L75-W231 HydrophobicContact CG-CD2 3.58Å; L75-W231 HydrophobicContact CG-CE3 4.15Å; L75-W231 HydrophobicContact CG-CG 3.61Å; L75-W231 HydrophobicContact CG-CZ2 4.45Å
76	G	89.5	Confident	90.5	Very high	2 Å²	2	28.8 Å²	28.8	2%	0.021	17%	0.169	C	C	.	.	B	Isolated β-bridge	trans	154.9	177.3	-174.4	0	0	0	0	0	113.7	V72	V72-G76 PolarHBondContact N-O 3.49Å; V72-G76 PolarHBondContact O-N 3.21Å; V72-G76 VanDerWaalsContact O-N 3.11Å; V72-G76 VanDerWaalsContact O-O 3.1Å
77	S	90.6	Very high	90.2	Very high	17 Å²	17	32.5 Å²	32.5	12%	0.119	19%	0.188	C	C	.	.	S	Bend	trans	-89.8	170.1	173.2	-57.2	0	0	0	0	111.1	D71 G79 T80 T119	D71-S77 WeakPolarHBondContact OD1-CA 3.48Å; D71-S77 VanDerWaalsContact OD1-CB 3.26Å; D71-S77 WeakPolarHBondContact OD1-CB 3.16Å; S77-G79 PolarHBondContact O-N 2.91Å; S77-T80 WeakPolarHBondContact O-CG2 3.44Å; S77-T80 PolarHBondContact O-N 3.5Å; S77-T80 PolarHBondContact O-OG1 3.37Å; S77-T119 PolarHBondContact OG-N 2.6Å
78	V	91	Very high	89.9	Confident	22 Å²	22	33.4 Å²	33.4	13%	0.133	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.5	133.2	174.7	178.2	0	0	0	0	112.2	V69 D71 T80 M110	V69-V78 WeakPolarHBondContact O-CG1 3.22Å; V69-V78 WeakPolarHBondContact O-CG2 3.27Å; D71-V78 WeakPolarHBondContact OD1-CG2 3.5Å; D71-V78 PolarHBondContact OD1-N 3.27Å; V78-T80 VanDerWaalsContact C-N 3.34Å; V78-M110 HydrophobicContact CG1-CE 3.17Å
79	G	90.3	Very high	89.8	Confident	11 Å²	11	33.4 Å²	33.4	11%	0.113	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.4	-5.9	175.8	0	0	0	0	0	115.2	L67 L68 S77	L67-G79 WeakPolarHBondContact CD1-O 3.43Å; L68-G79 PolarHBondContact O-N 3.48Å; S77-G79 PolarHBondContact O-N 2.91Å
80	T	90.2	Very high	89.7	Confident	36 Å²	36	36.7 Å²	36.7	22%	0.221	20%	0.2	C	C	.	.			trans	-75.8	139.7	174.6	63.3	0	0	0	0	111.3	L68 S77 V78	L68-T80 VanDerWaalsContact CD1-OG1 3.29Å; L68-T80 WeakPolarHBondContact CD1-OG1 3.06Å; L68-T80 PolarHBondContact N-O 2.95Å; S77-T80 WeakPolarHBondContact O-CG2 3.44Å; S77-T80 PolarHBondContact O-N 3.5Å; S77-T80 PolarHBondContact O-OG1 3.37Å; V78-T80 VanDerWaalsContact C-N 3.34Å
81	V	92.5	Very high	89.5	Confident	67 Å²	67	39.5 Å²	39.5	41%	0.406	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	116.6	171.6	179.9	0	0	0	0	108.7	N65 V66 L67	N65-V81 HydrophobicContact CB-CG1 4.09Å; V66-V81 CarbonylContact O-C 3.39Å; V66-V81 VanDerWaalsContact O-CA 3.31Å; V66-V81 WeakPolarHBondContact O-CA 3.23Å; L67-V81 HydrophobicContact CD1-CG2 3.91Å
82	T	91	Very high	89.4	Confident	27 Å²	27	41.9 Å²	41.9	17%	0.166	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	139.9	-173.7	-53.9	0	0	0	0	110.6	V66 L75	V66-T82 PolarHBondContact N-O 3.43Å; V66-T82 PolarHBondContact O-N 3.03Å; L75-T82 HydrophobicContact CD2-CG2 3.7Å; L75-T82 PolarHBondContact O-OG1 3.07Å
83	P	91.7	Very high	89.5	Confident	60 Å²	60	41.5 Å²	41.5	39%	0.39	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	128.3	173.9	29.2	-34.6	0	0	0	111.3	I64	I64-P83 WeakPolarHBondContact O-CA 3.34Å
84	V	91.2	Very high	89.8	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	146.5	179.8	-176.6	0	0	0	0	109.8	C63 I64 V66 L75 R86 K88 F89 L93 W231	C63-V84 CarbonylContact C-O 3.57Å; C63-V84 VanDerWaalsContact CA-O 3.26Å; C63-V84 WeakPolarHBondContact CA-O 3.06Å; I64-V84 PolarHBondContact N-O 2.96Å; I64-V84 PolarHBondContact O-N 3.42Å; V66-V84 HydrophobicContact CG2-CB 4.29Å; V66-V84 HydrophobicContact CG2-CG2 4.47Å; L75-V84 HydrophobicContact CD1-CG2 4.35Å; L75-V84 HydrophobicContact CD2-CG2 3.65Å; V84-R86 PolarHBondContact O-N 2.95Å; V84-K88 HydrophobicContact CG1-CB 4.12Å; V84-F89 HydrophobicContact CG1-CB 4.43Å; V84-L93 HydrophobicContact CB-CD1 4.45Å; V84-L93 HydrophobicContact CG1-CD1 3.96Å; V84-L93 HydrophobicContact CG2-CD1 4.08Å; V84-W231 HydrophobicContact CG1-CB 4.47Å; V84-W231 HydrophobicContact CG1-CE3 4.03Å
85	H	90.3	Very high	90	Very high	18 Å²	18	49.8 Å²	49.8	8%	0.083	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	132.9	172.8	-167.7	-98.6	0	0	0	111.1	P62 N87 K88 F89 W231 D234	P62-H85 WeakPolarHBondContact O-CA 3.23Å; P62-H85 PolarHBondContact O-CD2 3.18Å; H85-N87 VanDerWaalsContact C-N 3.29Å; H85-N87 PolarHBondContact CE1-ND2 3.38Å; H85-N87 PolarHBondContact ND1-N 3.21Å; H85-N87 PolarHBondContact O-N 3.01Å; H85-K88 HydrophobicContact CB-CB 4.2Å; H85-K88 WeakPolarHBondContact O-CB 3.34Å; H85-K88 PolarHBondContact O-N 2.83Å; H85-F89 PolarHBondContact O-N 3.43Å; H85-W231 WeakPolarHBondContact CB-O 3.18Å; H85-W231 PolarHBondContact N-O 3.17Å; H85-D234 IonicContact CE1-OD1 2.72Å; H85-D234 PolarHBondContact CE1-OD1 3.12Å; H85-D234 IonicContact CE1-OD2 2.86Å; H85-D234 PolarHBondContact CE1-OD2 3.19Å; H85-D234 IonicContact ND1-OD1 3.62Å; H85-D234 PolarHBondContact ND1-OD1 3.09Å
86	R	86.9	Confident	90.2	Very high	90 Å²	90	56.2 Å²	56.2	34%	0.34	26%	0.264	S	S	.	.	H	α-helix	trans	-50.9	-47.1	-176	179.1	176.3	-62.2	-145.4	3.8	112.2	E60 P62 I64 V84 K88 F89 W90	E60-R86 IonicContact OE2-CZ 2.72Å; E60-R86 IonicContact OE2-NH1 3.06Å; E60-R86 PolarHBondContact OE2-NH1 3.4Å; E60-R86 IonicContact OE2-NH2 3.21Å; E60-R86 PolarHBondContact OE2-NH2 2.71Å; P62-R86 PolarHBondContact O-N 3.4Å; I64-R86 HydrophobicContact CD1-CB 3.9Å; I64-R86 HydrophobicContact CD1-CG 3.64Å; I64-R86 HydrophobicContact CG1-CB 4.18Å; I64-R86 HydrophobicContact CG1-CG 4.43Å; V84-R86 PolarHBondContact O-N 2.95Å; R86-K88 VanDerWaalsContact C-N 3.31Å; R86-K88 PolarHBondContact O-N 2.93Å; R86-F89 PolarHBondContact O-N 3.23Å; R86-W90 PolarHBondContact O-N 3.41Å
87	N	86.7	Confident	90.3	Very high	78 Å²	78	58.3 Å²	58.3	42%	0.417	29%	0.286	S	S	.	.	H	α-helix	trans	-63.8	-37.6	-179.8	-64.6	-15.9	0	0	0	112.1	H85 R91 D234	H85-N87 VanDerWaalsContact C-N 3.29Å; H85-N87 PolarHBondContact CE1-ND2 3.38Å; H85-N87 PolarHBondContact ND1-N 3.21Å; H85-N87 PolarHBondContact O-N 3.01Å; N87-R91 WeakPolarHBondContact O-CB 3.4Å; N87-R91 PolarHBondContact O-N 3.05Å; N87-D234 PolarHBondContact ND2-OD1 3.44Å; N87-D234 PolarHBondContact ND2-OD2 3.12Å; N87-D234 VanDerWaalsContact ND2-OD2 3.09Å
88	K	87.9	Confident	90.4	Very high	19 Å²	19	59.3 Å²	59.3	8%	0.083	29%	0.29	C	S	.	.	H	α-helix	trans	-72.7	-36.3	-177.6	-157.9	172.7	-173.1	-172.2	0	111.5	V84 H85 R86 Y92 N230 W231	V84-K88 HydrophobicContact CG1-CB 4.12Å; H85-K88 HydrophobicContact CB-CB 4.2Å; H85-K88 WeakPolarHBondContact O-CB 3.34Å; H85-K88 PolarHBondContact O-N 2.83Å; R86-K88 VanDerWaalsContact C-N 3.31Å; R86-K88 PolarHBondContact O-N 2.93Å; K88-Y92 HydrophobicContact CG-CD2 3.76Å; K88-Y92 HydrophobicContact CG-CE2 4.23Å; K88-Y92 PolarHBondContact O-N 2.89Å; K88-Y92 VanDerWaalsContact O-N 3.07Å; K88-N230 PolarHBondContact NZ-O 3.35Å; K88-W231 HydrophobicContact CD-CD2 3.91Å; K88-W231 HydrophobicContact CD-CE3 3.28Å; K88-W231 HydrophobicContact CD-CG 4.46Å; K88-W231 HydrophobicContact CD-CZ3 3.72Å; K88-W231 VanDerWaalsContact CE-CZ3 3.41Å; K88-W231 HydrophobicContact CG-CE3 3.76Å; K88-W231 HydrophobicContact CG-CZ3 3.79Å
89	F	92.2	Very high	90.5	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	28%	0.284	C	S	.	.	I	π-helix	trans	-59.6	-58.7	172.5	171.2	-109.4	0	0	0	111.4	V66 V84 H85 R86 R91 L93 Y94 A99 L101	V66-F89 HydrophobicContact CB-CD2 4.18Å; V66-F89 HydrophobicContact CB-CE2 4.35Å; V66-F89 HydrophobicContact CG1-CD2 3.48Å; V66-F89 VanDerWaalsContact CG1-CD2 3.48Å; V66-F89 HydrophobicContact CG1-CE2 3.34Å; V66-F89 HydrophobicContact CG1-CZ 4.36Å; V66-F89 HydrophobicContact CG2-CB 4.3Å; V66-F89 HydrophobicContact CG2-CD2 3.53Å; V66-F89 HydrophobicContact CG2-CE2 3.98Å; V66-F89 HydrophobicContact CG2-CG 3.9Å; V84-F89 HydrophobicContact CG1-CB 4.43Å; H85-F89 PolarHBondContact O-N 3.43Å; R86-F89 PolarHBondContact O-N 3.23Å; F89-R91 PolarHBondContact O-N 3.17Å; F89-L93 HydrophobicContact CD2-CB 3.98Å; F89-L93 HydrophobicContact CD2-CD1 4.34Å; F89-L93 PolarHBondContact O-N 2.85Å; F89-Y94 HydrophobicContact CE1-CD2 4.32Å; F89-Y94 HydrophobicContact CE1-CG 4.49Å; F89-Y94 HydrophobicContact CE2-CD2 4.47Å; F89-Y94 AromaticContact CZ-CD2 3.78Å; F89-Y94 HydrophobicContact CZ-CD2 3.78Å; F89-Y94 HydrophobicContact CZ-CG 4.24Å; F89-Y94 PolarHBondContact O-N 2.7Å; F89-A99 HydrophobicContact CE2-CB 4.31Å; F89-L101 HydrophobicContact CE1-CD2 3.9Å; F89-L101 HydrophobicContact CE1-CG 4.2Å; F89-L101 HydrophobicContact CZ-CD2 4.04Å; F89-L101 HydrophobicContact CZ-CG 4.1Å
90	W	90.3	Very high	90.7	Very high	107 Å²	107	60.9 Å²	60.9	41%	0.405	29%	0.293	S	S	.	.	I	π-helix	trans	-66.5	-35.1	-176.7	-66.3	117.4	0	0	0	113.2	R86 Y94 I95 L101	R86-W90 PolarHBondContact O-N 3.41Å; W90-Y94 AromaticContact CE3-CD1 3.8Å; W90-Y94 HydrophobicContact CE3-CD1 3.8Å; W90-Y94 HydrophobicContact CE3-CD2 4.42Å; W90-Y94 HydrophobicContact CE3-CE1 4.34Å; W90-Y94 AromaticContact CE3-CG 3.85Å; W90-Y94 HydrophobicContact CE3-CG 3.85Å; W90-Y94 AromaticContact CZ3-CD1 3.84Å; W90-Y94 HydrophobicContact CZ3-CD1 3.84Å; W90-Y94 HydrophobicContact CZ3-CD2 4.02Å; W90-Y94 AromaticContact CZ3-CE1 3.97Å; W90-Y94 HydrophobicContact CZ3-CE1 3.97Å; W90-Y94 HydrophobicContact CZ3-CE2 4.15Å; W90-Y94 AromaticContact CZ3-CG 3.86Å; W90-Y94 HydrophobicContact CZ3-CG 3.86Å; W90-I95 WeakPolarHBondContact O-CD1 3.26Å; W90-I95 WeakPolarHBondContact O-CG1 3.45Å; W90-L101 HydrophobicContact CH2-CD1 4.22Å
91	R	87.2	Confident	90.9	Very high	141 Å²	141	63 Å²	63	53%	0.532	30%	0.302	S	S	.	.	I	π-helix	trans	-79	-30.7	-177.3	-169.9	173.8	-177.7	177.5	1.4	114.1	N87 F89	N87-R91 WeakPolarHBondContact O-CB 3.4Å; N87-R91 PolarHBondContact O-N 3.05Å; F89-R91 PolarHBondContact O-N 3.17Å
92	Y	87.1	Confident	90.9	Very high	82 Å²	82	62.3 Å²	62.3	32%	0.322	30%	0.299	S	S	.	.	I	π-helix	trans	-125.3	-51.8	-175.4	-59.8	-61.2	0	0	0	114.8	K88 K96 F235	K88-Y92 HydrophobicContact CG-CD2 3.76Å; K88-Y92 HydrophobicContact CG-CE2 4.23Å; K88-Y92 PolarHBondContact O-N 2.89Å; K88-Y92 VanDerWaalsContact O-N 3.07Å; Y92-K96 VanDerWaalsContact O-CB 3.27Å; Y92-K96 WeakPolarHBondContact O-CB 3.47Å; Y92-K96 VanDerWaalsContact O-CG 3.22Å; Y92-K96 WeakPolarHBondContact O-CG 3.38Å; Y92-K96 PolarHBondContact O-N 3.21Å; Y92-F235 HydrophobicContact CD2-CZ 4.12Å; Y92-F235 AromaticContact CE2-CE1 3.34Å; Y92-F235 HydrophobicContact CE2-CE1 3.34Å; Y92-F235 HydrophobicContact CE2-CE2 4.49Å; Y92-F235 AromaticContact CE2-CZ 3.18Å; Y92-F235 HydrophobicContact CE2-CZ 3.18Å; Y92-F235 AromaticContact CZ-CE1 3.68Å; Y92-F235 AromaticContact CZ-CZ 3.66Å; Y92-F235 WeakPolarHBondContact OH-CE1 3.37Å; Y92-F235 WeakPolarHBondContact OH-CZ 3.37Å
93	L	91.4	Very high	91	Very high	1 Å²	1	64.7 Å²	64.7	1%	0.005	31%	0.314	C	S	.	.	I	π-helix	trans	-73.1	-46.9	-169.4	-65	177.5	0	0	0	111.6	L75 V84 F89 G97 L98 A99 W231	L75-L93 HydrophobicContact CD1-CD1 3.96Å; L75-L93 HydrophobicContact CD1-CD2 4.12Å; V84-L93 HydrophobicContact CB-CD1 4.45Å; V84-L93 HydrophobicContact CG1-CD1 3.96Å; V84-L93 HydrophobicContact CG2-CD1 4.08Å; F89-L93 HydrophobicContact CD2-CB 3.98Å; F89-L93 HydrophobicContact CD2-CD1 4.34Å; F89-L93 PolarHBondContact O-N 2.85Å; L93-G97 PolarHBondContact O-N 2.86Å; L93-L98 HydrophobicContact CD2-CB 4.09Å; L93-L98 HydrophobicContact CD2-CD1 4.21Å; L93-L98 PolarHBondContact O-N 2.9Å; L93-A99 HydrophobicContact CB-CB 3.78Å; L93-A99 HydrophobicContact CD1-CB 4.1Å; L93-A99 HydrophobicContact CG-CB 4.38Å; L93-A99 PolarHBondContact O-N 3.49Å; L93-W231 HydrophobicContact CD1-CE3 4.34Å; L93-W231 HydrophobicContact CD1-CZ3 4.09Å; L93-W231 HydrophobicContact CD2-CH2 4.02Å; L93-W231 HydrophobicContact CD2-CZ3 3.77Å; L93-W231 HydrophobicContact CG-CZ3 3.9Å
94	Y	92.4	Very high	90.9	Very high	126 Å²	126	69.5 Å²	69.5	49%	0.494	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-48.9	-177.2	-175.6	-106	0	0	0	111.7	F89 W90 K96 G97	F89-Y94 HydrophobicContact CE1-CD2 4.32Å; F89-Y94 HydrophobicContact CE1-CG 4.49Å; F89-Y94 HydrophobicContact CE2-CD2 4.47Å; F89-Y94 AromaticContact CZ-CD2 3.78Å; F89-Y94 HydrophobicContact CZ-CD2 3.78Å; F89-Y94 HydrophobicContact CZ-CG 4.24Å; F89-Y94 PolarHBondContact O-N 2.7Å; W90-Y94 AromaticContact CE3-CD1 3.8Å; W90-Y94 HydrophobicContact CE3-CD1 3.8Å; W90-Y94 HydrophobicContact CE3-CD2 4.42Å; W90-Y94 HydrophobicContact CE3-CE1 4.34Å; W90-Y94 AromaticContact CE3-CG 3.85Å; W90-Y94 HydrophobicContact CE3-CG 3.85Å; W90-Y94 AromaticContact CZ3-CD1 3.84Å; W90-Y94 HydrophobicContact CZ3-CD1 3.84Å; W90-Y94 HydrophobicContact CZ3-CD2 4.02Å; W90-Y94 AromaticContact CZ3-CE1 3.97Å; W90-Y94 HydrophobicContact CZ3-CE1 3.97Å; W90-Y94 HydrophobicContact CZ3-CE2 4.15Å; W90-Y94 AromaticContact CZ3-CG 3.86Å; W90-Y94 HydrophobicContact CZ3-CG 3.86Å; Y94-K96 VanDerWaalsContact C-N 3.31Å; Y94-K96 PolarHBondContact O-N 3.3Å; Y94-G97 PolarHBondContact O-N 2.86Å
95	I	92.3	Very high	91	Very high	129 Å²	129	77.1 Å²	77.1	66%	0.662	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-36.9	-178.3	-63.8	170.8	0	0	0	111.7	W90 G97	W90-I95 WeakPolarHBondContact O-CD1 3.26Å; W90-I95 WeakPolarHBondContact O-CG1 3.45Å; I95-G97 PolarHBondContact O-N 3.17Å
96	K	91.7	Very high	91	Very high	148 Å²	148	79 Å²	79	64%	0.643	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-4.2	177.1	-68	-178.9	176	-174.5	0	113.4	Y92 Y94 L98	Y92-K96 VanDerWaalsContact O-CB 3.27Å; Y92-K96 WeakPolarHBondContact O-CB 3.47Å; Y92-K96 VanDerWaalsContact O-CG 3.22Å; Y92-K96 WeakPolarHBondContact O-CG 3.38Å; Y92-K96 PolarHBondContact O-N 3.21Å; Y94-K96 VanDerWaalsContact C-N 3.31Å; Y94-K96 PolarHBondContact O-N 3.3Å; K96-L98 HydrophobicContact CB-CD1 3.88Å; K96-L98 HydrophobicContact CB-CG 3.73Å; K96-L98 HydrophobicContact CD-CD1 3.88Å; K96-L98 PolarHBondContact O-N 2.86Å
97	G	91.6	Very high	91.2	Very high	45 Å²	45	76.6 Å²	76.6	46%	0.464	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	65	21.1	-174.4	0	0	0	0	0	113.8	L93 Y94 I95	L93-G97 PolarHBondContact O-N 2.86Å; Y94-G97 PolarHBondContact O-N 2.86Å; I95-G97 PolarHBondContact O-N 3.17Å
98	L	92.5	Very high	91.4	Very high	39 Å²	39	77.5 Å²	77.5	20%	0.204	37%	0.371	C	S	.	.	S	Bend	trans	-80.3	-23.5	-179.4	-64.8	174	0	0	0	112.1	V69 D70 V72 L93 K96	V69-L98 PolarHBondContact N-O 2.89Å; D70-L98 HydrophobicContact CB-CD2 3.76Å; D70-L98 PolarHBondContact N-O 3.09Å; V72-L98 HydrophobicContact CG2-CB 4.12Å; V72-L98 HydrophobicContact CG2-CD1 4.37Å; L93-L98 HydrophobicContact CD2-CB 4.09Å; L93-L98 HydrophobicContact CD2-CD1 4.21Å; L93-L98 PolarHBondContact O-N 2.9Å; K96-L98 HydrophobicContact CB-CD1 3.88Å; K96-L98 HydrophobicContact CB-CG 3.73Å; K96-L98 HydrophobicContact CD-CD1 3.88Å; K96-L98 PolarHBondContact O-N 2.86Å
99	A	93.9	Very high	91.5	Very high	1 Å²	1	80.2 Å²	80.2	1%	0.008	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	148.3	-176.5	0	0	0	0	0	112	V66 L67 L68 F89 L93	V66-A99 HydrophobicContact CG1-CB 3.31Å; L67-A99 CarbonylContact O-C 3.58Å; L67-A99 VanDerWaalsContact O-CA 3.23Å; L67-A99 WeakPolarHBondContact O-CA 3.42Å; L67-A99 WeakPolarHBondContact O-CB 3.21Å; L68-A99 HydrophobicContact CD2-CB 3.86Å; F89-A99 HydrophobicContact CE2-CB 4.31Å; L93-A99 HydrophobicContact CB-CB 3.78Å; L93-A99 HydrophobicContact CD1-CB 4.1Å; L93-A99 HydrophobicContact CG-CB 4.38Å; L93-A99 PolarHBondContact O-N 3.49Å
100	E	93.7	Very high	91.3	Very high	65 Å²	65	80.4 Å²	80.4	30%	0.304	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	160.9	-176.8	-72.5	170.2	-170.7	0	0	110.4	V66 L67 V69 R106	V66-E100 VanDerWaalsContact CG1-O 3.23Å; V66-E100 WeakPolarHBondContact CG1-O 3.37Å; L67-E100 PolarHBondContact N-O 2.97Å; L67-E100 PolarHBondContact O-N 2.99Å; V69-E100 HydrophobicContact CG2-CB 4.16Å; V69-E100 HydrophobicContact CG2-CG 3.67Å; E100-R106 IonicContact OE1-NH2 2.84Å; E100-R106 PolarHBondContact OE1-NH2 2.88Å; E100-R106 IonicContact OE2-CZ 2.93Å; E100-R106 IonicContact OE2-NE 3.49Å; E100-R106 PolarHBondContact OE2-NE 3.37Å; E100-R106 IonicContact OE2-NH2 2.71Å
101	L	94.2	Very high	91	Very high	80 Å²	80	81.1 Å²	81.1	42%	0.419	39%	0.391	S	S	.	.			trans	-66.5	141.4	170.6	-70.8	175.5	0	0	0	109.9	I64 F89 W90 T103	I64-L101 HydrophobicContact CG2-CD2 4.06Å; F89-L101 HydrophobicContact CE1-CD2 3.9Å; F89-L101 HydrophobicContact CE1-CG 4.2Å; F89-L101 HydrophobicContact CZ-CD2 4.04Å; F89-L101 HydrophobicContact CZ-CG 4.1Å; W90-L101 HydrophobicContact CH2-CD1 4.22Å; L101-T103 PolarHBondContact O-N 2.78Å
102	P	92	Very high	90.9	Very high	52 Å²	52	79.1 Å²	79.1	34%	0.338	40%	0.399	S	S	.	.			trans	-70.7	112.9	-177.9	26.9	-32.9	0	0	0	110.6	N65 I107	N65-P102 WeakPolarHBondContact O-CD 3.41Å; N65-P102 WeakPolarHBondContact O-CG 3.3Å; P102-I107 HydrophobicContact CB-CD1 3.92Å; P102-I107 HydrophobicContact CB-CG1 4.44Å
103	T	93.3	Very high	90.7	Very high	78 Å²	78	82 Å²	82	48%	0.479	41%	0.409	S	S	.	.			trans	-111.4	141.8	166.6	-52.9	0	0	0	0	108.8	L101 E105 R106 I107	L101-T103 PolarHBondContact O-N 2.78Å; T103-E105 VanDerWaalsContact C-N 3.28Å; T103-E105 HydrophobicContact CG2-CB 4.43Å; T103-E105 PolarHBondContact O-N 2.87Å; T103-R106 PolarHBondContact O-N 2.72Å; T103-I107 VanDerWaalsContact O-CG1 3.3Å; T103-I107 WeakPolarHBondContact O-CG1 3.29Å; T103-I107 PolarHBondContact O-N 3.38Å
104	E	91.3	Very high	90.1	Very high	161 Å²	161	86.7 Å²	86.7	75%	0.752	43%	0.431	S	S	*	.	H	α-helix	trans	-55.4	-42.6	-177.1	-63.9	-175.3	176	0	0	112.6	I107 N108	E104-I107 PolarHBondContact O-N 3.45Å; E104-N108 PolarHBondContact O-N 3.11Å; E104-N108 VanDerWaalsContact O-N 3.11Å; E104-N108 PolarHBondContact O-ND2 2.8Å
105	E	92.6	Very high	89.3	Confident	159 Å²	159	86.4 Å²	86.4	74%	0.743	43%	0.432	S	S	*	.	H	α-helix	trans	-58.1	-49.6	175.3	-62	-178.9	171.5	0	0	111.5	T103 N108 E109	T103-E105 VanDerWaalsContact C-N 3.28Å; T103-E105 HydrophobicContact CG2-CB 4.43Å; T103-E105 PolarHBondContact O-N 2.87Å; E105-N108 PolarHBondContact O-N 2.88Å; E105-E109 PolarHBondContact O-N 3.46Å
106	R	90.6	Very high	88.4	Confident	57 Å²	57	89.7 Å²	89.7	22%	0.215	45%	0.445	C	S	.	.	H	α-helix	trans	-68.2	-38.4	-177.5	-165.8	61.1	167.7	160.3	0.3	112.2	L67 E100 T103 N108 E109 M110	L67-R106 HydrophobicContact CD2-CB 4.16Å; L67-R106 HydrophobicContact CD2-CG 3.66Å; E100-R106 IonicContact OE1-NH2 2.84Å; E100-R106 PolarHBondContact OE1-NH2 2.88Å; E100-R106 IonicContact OE2-CZ 2.93Å; E100-R106 IonicContact OE2-NE 3.49Å; E100-R106 PolarHBondContact OE2-NE 3.37Å; E100-R106 IonicContact OE2-NH2 2.71Å; T103-R106 PolarHBondContact O-N 2.72Å; R106-N108 VanDerWaalsContact C-N 3.31Å; R106-N108 PolarHBondContact O-N 3.01Å; R106-E109 IonicContact CZ-OE2 3.48Å; R106-E109 IonicContact NH1-OE1 3.43Å; R106-E109 PolarHBondContact NH1-OE1 3.27Å; R106-E109 IonicContact NH1-OE2 3.35Å; R106-E109 PolarHBondContact NH1-OE2 3.27Å; R106-E109 PolarHBondContact O-N 2.86Å; R106-M110 HydrophobicContact CG-CG 4.36Å; R106-M110 WeakPolarHBondContact O-CB 3.31Å; R106-M110 WeakPolarHBondContact O-CG 3.24Å; R106-M110 PolarHBondContact O-N 3.27Å
107	I	91.2	Very high	87.6	Confident	40 Å²	40	92.6 Å²	92.6	21%	0.205	45%	0.452	C	S	.	.	H	α-helix	trans	-59.8	-44.6	174.8	-69.8	164.5	0	0	0	110.2	L67 P102 T103 E104 M110 K111	L67-I107 HydrophobicContact CD2-CG1 4.22Å; P102-I107 HydrophobicContact CB-CD1 3.92Å; P102-I107 HydrophobicContact CB-CG1 4.44Å; T103-I107 VanDerWaalsContact O-CG1 3.3Å; T103-I107 WeakPolarHBondContact O-CG1 3.29Å; T103-I107 PolarHBondContact O-N 3.38Å; E104-I107 PolarHBondContact O-N 3.45Å; I107-M110 PolarHBondContact O-N 3.26Å; I107-K111 HydrophobicContact CG2-CD 4.24Å; I107-K111 VanDerWaalsContact O-CG 3.28Å; I107-K111 WeakPolarHBondContact O-CG 3.5Å; I107-K111 PolarHBondContact O-N 2.98Å
108	N	91.1	Very high	86.9	Confident	98 Å²	98	93.8 Å²	93.8	52%	0.524	45%	0.451	S	S	.	.	H	α-helix	trans	-67.9	-40.3	-179.9	-69.4	-25.4	0	0	0	112.1	E104 E105 R106 S112	E104-N108 PolarHBondContact O-N 3.11Å; E104-N108 VanDerWaalsContact O-N 3.11Å; E104-N108 PolarHBondContact O-ND2 2.8Å; E105-N108 PolarHBondContact O-N 2.88Å; R106-N108 VanDerWaalsContact C-N 3.31Å; R106-N108 PolarHBondContact O-N 3.01Å; N108-S112 PolarHBondContact O-N 3.02Å
109	E	90.1	Very high	86.4	Confident	76 Å²	76	95.1 Å²	95.1	36%	0.355	46%	0.461	S	S	.	.	H	α-helix	trans	-60.7	-46.4	172.9	-167.9	-167.5	162.3	0	0	111.2	E105 R106 K111 S112 R113	E105-E109 PolarHBondContact O-N 3.46Å; R106-E109 IonicContact CZ-OE2 3.48Å; R106-E109 IonicContact NH1-OE1 3.43Å; R106-E109 PolarHBondContact NH1-OE1 3.27Å; R106-E109 IonicContact NH1-OE2 3.35Å; R106-E109 PolarHBondContact NH1-OE2 3.27Å; R106-E109 PolarHBondContact O-N 2.86Å; E109-K111 PolarHBondContact O-N 3.07Å; E109-S112 WeakPolarHBondContact O-CB 3.48Å; E109-S112 PolarHBondContact O-N 2.84Å; E109-S112 PolarHBondContact O-OG 2.93Å; E109-R113 IonicContact OE1-CZ 3.61Å; E109-R113 IonicContact OE1-NE 3.68Å; E109-R113 IonicContact OE1-NH2 3.8Å; E109-R113 PolarHBondContact OE1-NH2 3.17Å
110	M	86.7	Confident	85.9	Confident	4 Å²	4	96.4 Å²	96.4	2%	0.02	47%	0.469	C	S	.	.	H	α-helix	trans	-71.6	-30.4	-177	-67.4	-55.8	-65.2	0	0	113.1	L67 V78 R106 I107 S112 R113 Q114	L67-M110 HydrophobicContact CD1-CB 4.42Å; L67-M110 HydrophobicContact CD2-CB 4.33Å; L67-M110 HydrophobicContact CD2-CG 3.9Å; V78-M110 HydrophobicContact CG1-CE 3.17Å; R106-M110 HydrophobicContact CG-CG 4.36Å; R106-M110 WeakPolarHBondContact O-CB 3.31Å; R106-M110 WeakPolarHBondContact O-CG 3.24Å; R106-M110 PolarHBondContact O-N 3.27Å; I107-M110 PolarHBondContact O-N 3.26Å; M110-S112 PolarHBondContact O-N 3.25Å; M110-R113 CarbonylContact O-C 3.58Å; M110-R113 WeakPolarHBondContact O-CA 3.47Å; M110-R113 PolarHBondContact O-N 3.42Å; M110-Q114 PolarHBondContact O-N 3.37Å
111	K	85	Confident	85.5	Confident	122 Å²	122	93.6 Å²	93.6	53%	0.53	46%	0.456	S	S	.	.	H	α-helix	trans	-57.1	-36.9	170.5	-79.6	171.5	-177	168.9	0	112.1	I107 E109 R113 Q114	I107-K111 HydrophobicContact CG2-CD 4.24Å; I107-K111 VanDerWaalsContact O-CG 3.28Å; I107-K111 WeakPolarHBondContact O-CG 3.5Å; I107-K111 PolarHBondContact O-N 2.98Å; E109-K111 PolarHBondContact O-N 3.07Å; K111-R113 VanDerWaalsContact C-N 3.27Å; K111-R113 PolarHBondContact O-N 2.86Å; K111-Q114 WeakPolarHBondContact O-CB 3.28Å; K111-Q114 PolarHBondContact O-N 3.2Å
112	S	84.5	Confident	85.1	Confident	98 Å²	98	92.9 Å²	92.9	69%	0.685	46%	0.457	S	S	*	.	H	α-helix	trans	-69.8	-25.2	176.1	76.4	0	0	0	0	113.3	N108 E109 M110	N108-S112 PolarHBondContact O-N 3.02Å; E109-S112 WeakPolarHBondContact O-CB 3.48Å; E109-S112 PolarHBondContact O-N 2.84Å; E109-S112 PolarHBondContact O-OG 2.93Å; M110-S112 PolarHBondContact O-N 3.25Å
113	R	82.1	Confident	84.7	Confident	144 Å²	144	92.6 Å²	92.6	54%	0.543	46%	0.464	S	S	.	.	H	α-helix	trans	-91.5	-9.3	177.9	-60.3	-174.7	-173.8	-156.8	3.4	113.4	E109 M110 K111 K115	E109-R113 IonicContact OE1-CZ 3.61Å; E109-R113 IonicContact OE1-NE 3.68Å; E109-R113 IonicContact OE1-NH2 3.8Å; E109-R113 PolarHBondContact OE1-NH2 3.17Å; M110-R113 CarbonylContact O-C 3.58Å; M110-R113 WeakPolarHBondContact O-CA 3.47Å; M110-R113 PolarHBondContact O-N 3.42Å; K111-R113 VanDerWaalsContact C-N 3.27Å; K111-R113 PolarHBondContact O-N 2.86Å; R113-K115 PolarHBondContact O-N 3.29Å
114	Q	79	Confident	84.3	Confident	98 Å²	98	97.2 Å²	97.2	46%	0.458	48%	0.48	S	S	.	.			trans	-63.3	121.2	-178.2	-170.9	172.3	18.9	0	0	109.3	M110 K111	M110-Q114 PolarHBondContact O-N 3.37Å; K111-Q114 WeakPolarHBondContact O-CB 3.28Å; K111-Q114 PolarHBondContact O-N 3.2Å
115	K	75.7	Confident	84.1	Confident	120 Å²	120	91.2 Å²	91.2	52%	0.522	46%	0.456	S	S	.	.			trans	-68.1	140.8	174.7	-63.5	172.7	-172.8	159.4	0	109.1	D71 R113 R117	D71-K115 IonicContact OD2-NZ 3.48Å; D71-K115 PolarHBondContact OD2-NZ 3.49Å; R113-K115 PolarHBondContact O-N 3.29Å; K115-R117 PolarHBondContact O-N 3.45Å
116	E	73.9	Confident	83.9	Confident	198 Å²	198	84.6 Å²	84.6	93%	0.925	42%	0.424	S	S	*	.	S	Bend	trans	-60	-30.3	177.3	-65.4	-176.2	170.8	0	0	112.8
117	R	74.4	Confident	83.8	Confident	209 Å²	209	83.5 Å²	83.5	79%	0.789	42%	0.423	S	S	*	.	S	Bend	trans	-108.6	129.1	178	-64.6	-173.3	-177.5	-175.6	0.4	110.8	K115 T119	K115-R117 PolarHBondContact O-N 3.45Å; R117-T119 PolarHBondContact O-N 3Å
118	P	76.4	Confident	83.6	Confident	70 Å²	70	84 Å²	84	46%	0.455	43%	0.426	S	S	.	.			trans	-61.3	128.7	172.9	26.1	-32.4	0	0	0	109.1	V120 I195	P118-V120 VanDerWaalsContact C-N 3.34Å; P118-I195 HydrophobicContact CB-CD1 4.39Å; P118-I195 HydrophobicContact CG-CD1 3.82Å
119	T	82.4	Confident	83.6	Confident	67 Å²	67	81.6 Å²	81.6	41%	0.411	41%	0.412	S	S	.	.	S	Bend	trans	-85.9	-17.7	177.8	-55.8	0	0	0	0	110.9	S77 R117 I195	S77-T119 PolarHBondContact OG-N 2.6Å; R117-T119 PolarHBondContact O-N 3Å; T119-I195 WeakPolarHBondContact O-CG2 3.26Å
120	V	84.7	Confident	83.5	Confident	28 Å²	28	80 Å²	80	17%	0.17	41%	0.405	C	S	.	.	S	Bend	trans	-134.1	142.9	-171.2	171.8	0	0	0	0	111.1	D71 P73 P118	D71-V120 HydrophobicContact CB-CB 4.45Å; D71-V120 HydrophobicContact CB-CG2 3.66Å; P73-V120 HydrophobicContact CB-CG1 4.13Å; P118-V120 VanDerWaalsContact C-N 3.34Å
121	L	85.3	Confident	83.5	Confident	6 Å²	6	85.3 Å²	85.3	3%	0.031	42%	0.424	C	S	.	.			trans	-75.8	134.7	176.4	-60.4	177.9	0	0	0	111	G74 Q129 I192 I195 V196	G74-L121 PolarHBondContact N-O 3.19Å; L121-Q129 HydrophobicContact CD1-CB 4.03Å; L121-Q129 HydrophobicContact CD1-CG 4.48Å; L121-I192 HydrophobicContact CD1-CB 4.1Å; L121-I192 HydrophobicContact CD1-CD1 4.07Å; L121-I192 HydrophobicContact CD1-CG2 3.88Å; L121-I192 HydrophobicContact CD2-CG2 3.97Å; L121-I195 HydrophobicContact CD2-CB 4.2Å; L121-I195 HydrophobicContact CD2-CD1 3.81Å; L121-V196 HydrophobicContact CD1-CB 3.89Å; L121-V196 HydrophobicContact CD1-CG2 3.78Å; L121-V196 HydrophobicContact CG-CB 4.43Å; L121-V196 HydrophobicContact CG-CG2 3.82Å
122	C	84.4	Confident	83.8	Confident	65 Å²	65	79.5 Å²	79.5	44%	0.439	40%	0.399	S	S	.	.	B	Isolated β-bridge	trans	-126.8	162.2	175.2	60.7	0	0	0	0	111.3	E124 S125	C122-E124 PolarHBondContact O-N 3.32Å; C122-S125 PolarHBondContact O-N 3.49Å
123	G	83.9	Confident	83.9	Confident	47 Å²	47	77.2 Å²	77.2	49%	0.485	38%	0.383	S	S	.	.	H	α-helix	trans	60.1	-130.1	174.1	0	0	0	0	0	113.9	S125 Y126 V127	G123-S125 PolarHBondContact O-N 3.48Å; G123-Y126 PolarHBondContact O-N 2.92Å; G123-V127 PolarHBondContact O-N 3.38Å
124	E	84.7	Confident	84.2	Confident	175 Å²	175	73 Å²	73	82%	0.818	37%	0.371	S	S	*	.	H	α-helix	trans	-64.7	-36.5	-176.2	-63	-172.9	170.6	0	0	113.1	C122 Y126 V127 L128	C122-E124 PolarHBondContact O-N 3.32Å; E124-Y126 VanDerWaalsContact C-N 3.3Å; E124-Y126 PolarHBondContact O-N 2.99Å; E124-V127 PolarHBondContact O-N 2.92Å; E124-L128 WeakPolarHBondContact O-CB 3.13Å; E124-L128 PolarHBondContact O-N 3.01Å
125	S	87.6	Confident	84.5	Confident	35 Å²	35	68.5 Å²	68.5	25%	0.245	35%	0.35	C	S	.	.	H	α-helix	trans	-65.2	-34.6	177.8	-57.7	0	0	0	0	111.8	C122 G123 L128 Q129 D193	C122-S125 PolarHBondContact O-N 3.49Å; G123-S125 PolarHBondContact O-N 3.48Å; S125-L128 WeakPolarHBondContact O-CB 3.41Å; S125-L128 PolarHBondContact O-N 3.48Å; S125-Q129 PolarHBondContact O-N 3.39Å; S125-D193 PolarHBondContact OG-OD2 3.48Å; S125-D193 VanDerWaalsContact OG-OD2 3.09Å
126	Y	88.5	Confident	85.1	Confident	20 Å²	20	64.6 Å²	64.6	8%	0.078	34%	0.336	C	S	.	.	H	α-helix	trans	-67.3	-42.8	173.1	-179.6	-112.6	0	0	0	111.7	P73 G74 G123 E124 L128 Q129 Q130	P73-Y126 HydrophobicContact CB-CD2 4.36Å; P73-Y126 HydrophobicContact CB-CE2 3.81Å; G74-Y126 VanDerWaalsContact CA-CD1 3.46Å; G74-Y126 VanDerWaalsContact CA-CG 3.44Å; G123-Y126 PolarHBondContact O-N 2.92Å; E124-Y126 VanDerWaalsContact C-N 3.3Å; E124-Y126 PolarHBondContact O-N 2.99Å; Y126-L128 VanDerWaalsContact C-N 3.28Å; Y126-L128 PolarHBondContact O-N 2.87Å; Y126-Q129 WeakPolarHBondContact O-CB 3.5Å; Y126-Q129 PolarHBondContact O-N 3.11Å; Y126-Q130 HydrophobicContact CE1-CG 4.12Å; Y126-Q130 HydrophobicContact CE2-CG 4.1Å; Y126-Q130 WeakPolarHBondContact O-CG 3.21Å; Y126-Q130 PolarHBondContact O-N 3.23Å; Y126-Q130 PolarHBondContact OH-NE2 3.3Å
127	V	87.3	Confident	85.9	Confident	33 Å²	33	55.2 Å²	55.2	20%	0.2	29%	0.293	C	S	.	.	H	α-helix	trans	-61.6	-39.8	174.7	175.6	0	0	0	0	110.9	G123 E124 Q130 R131 I228	G123-V127 PolarHBondContact O-N 3.38Å; E124-V127 PolarHBondContact O-N 2.92Å; V127-Q130 PolarHBondContact O-N 2.83Å; V127-R131 HydrophobicContact CG1-CG 4.41Å; V127-R131 WeakPolarHBondContact O-CB 3.45Å; V127-R131 VanDerWaalsContact O-CG 3.28Å; V127-R131 WeakPolarHBondContact O-CG 3.4Å; V127-R131 PolarHBondContact O-N 3.3Å; V127-I228 HydrophobicContact CG1-CD1 3.77Å; V127-I228 HydrophobicContact CG2-CD1 4.17Å; V127-I228 HydrophobicContact CG2-CG2 4.12Å
128	L	88.9	Confident	86.7	Confident	51 Å²	51	48.3 Å²	48.3	27%	0.267	27%	0.267	S	S	.	.	H	α-helix	trans	-60	-50.7	174.5	-173.5	85.9	0	0	0	111	E124 S125 Y126 Q130 R131 L132 F163 I192	E124-L128 WeakPolarHBondContact O-CB 3.13Å; E124-L128 PolarHBondContact O-N 3.01Å; S125-L128 WeakPolarHBondContact O-CB 3.41Å; S125-L128 PolarHBondContact O-N 3.48Å; Y126-L128 VanDerWaalsContact C-N 3.28Å; Y126-L128 PolarHBondContact O-N 2.87Å; L128-Q130 VanDerWaalsContact C-N 3.31Å; L128-Q130 PolarHBondContact O-N 3.33Å; L128-R131 PolarHBondContact O-N 3.22Å; L128-R131 VanDerWaalsContact O-N 3.11Å; L128-L132 HydrophobicContact CD2-CD1 4.3Å; L128-L132 HydrophobicContact CG-CD1 4.05Å; L128-L132 HydrophobicContact CG-CG 4.36Å; L128-L132 WeakPolarHBondContact O-CB 3.38Å; L128-L132 WeakPolarHBondContact O-CG 3.42Å; L128-L132 PolarHBondContact O-N 3.39Å; L128-F163 HydrophobicContact CD1-CD1 3.47Å; L128-F163 VanDerWaalsContact CD1-CD1 3.47Å; L128-F163 HydrophobicContact CD1-CE1 3.6Å; L128-I192 HydrophobicContact CD2-CD1 3.96Å; L128-I192 HydrophobicContact CD2-CG1 4.06Å; L128-I192 HydrophobicContact CD2-CG2 4.24Å; L128-I192 HydrophobicContact CG-CD1 4.46Å
129	Q	89.1	Confident	87.4	Confident	47 Å²	47	45 Å²	45	22%	0.22	25%	0.245	C	C	.	.	H	α-helix	trans	-54.1	-47.5	176.4	175.6	-173.7	2.6	0	0	111.6	L121 S125 Y126 R131 L132 S133 I192 V198	L121-Q129 HydrophobicContact CD1-CB 4.03Å; L121-Q129 HydrophobicContact CD1-CG 4.48Å; S125-Q129 PolarHBondContact O-N 3.39Å; Y126-Q129 WeakPolarHBondContact O-CB 3.5Å; Y126-Q129 PolarHBondContact O-N 3.11Å; Q129-R131 VanDerWaalsContact C-N 3.33Å; Q129-R131 PolarHBondContact O-N 3.16Å; Q129-L132 PolarHBondContact O-N 3.37Å; Q129-S133 WeakPolarHBondContact O-CB 3.38Å; Q129-S133 PolarHBondContact O-N 3.27Å; Q129-S133 PolarHBondContact O-OG 3.42Å; Q129-I192 HydrophobicContact CB-CD1 3.81Å; Q129-V198 HydrophobicContact CB-CG2 4.28Å; Q129-V198 HydrophobicContact CG-CG2 3.76Å
130	Q	88.6	Confident	87.7	Confident	44 Å²	44	43.1 Å²	43.1	21%	0.206	23%	0.234	C	C	.	.	H	α-helix	trans	-68	-32.3	179.6	-67	-61.5	-17.7	0	0	112.5	Y126 V127 L128 S133 N134 I226	Y126-Q130 HydrophobicContact CE1-CG 4.12Å; Y126-Q130 HydrophobicContact CE2-CG 4.1Å; Y126-Q130 WeakPolarHBondContact O-CG 3.21Å; Y126-Q130 PolarHBondContact O-N 3.23Å; Y126-Q130 PolarHBondContact OH-NE2 3.3Å; V127-Q130 PolarHBondContact O-N 2.83Å; L128-Q130 VanDerWaalsContact C-N 3.31Å; L128-Q130 PolarHBondContact O-N 3.33Å; Q130-S133 WeakPolarHBondContact CA-OG 3.36Å; Q130-S133 PolarHBondContact O-OG 3.12Å; Q130-S133 VanDerWaalsContact O-OG 3.12Å; Q130-N134 WeakPolarHBondContact O-CB 3.36Å; Q130-N134 PolarHBondContact O-N 3.08Å; Q130-N134 PolarHBondContact O-ND2 3.43Å; Q130-I226 HydrophobicContact CB-CG2 3.93Å
131	R	88	Confident	87.9	Confident	115 Å²	115	42.3 Å²	42.3	43%	0.434	23%	0.229	S	C	.	.	H	α-helix	trans	-68.9	-46.3	173.7	-77.6	174.5	179.8	-167.4	3.6	112.3	V127 L128 Q129 N134 M135 F163 I226	V127-R131 HydrophobicContact CG1-CG 4.41Å; V127-R131 WeakPolarHBondContact O-CB 3.45Å; V127-R131 VanDerWaalsContact O-CG 3.28Å; V127-R131 WeakPolarHBondContact O-CG 3.4Å; V127-R131 PolarHBondContact O-N 3.3Å; L128-R131 PolarHBondContact O-N 3.22Å; L128-R131 VanDerWaalsContact O-N 3.11Å; Q129-R131 VanDerWaalsContact C-N 3.33Å; Q129-R131 PolarHBondContact O-N 3.16Å; R131-N134 PolarHBondContact O-N 2.91Å; R131-M135 WeakPolarHBondContact O-CB 3.46Å; R131-M135 WeakPolarHBondContact O-CG 3.49Å; R131-M135 PolarHBondContact O-N 3.47Å; R131-F163 HydrophobicContact CB-CZ 4.19Å; R131-I226 HydrophobicContact CB-CD1 3.97Å; R131-I226 HydrophobicContact CG-CD1 3.27Å
132	L	89.8	Confident	88.1	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-66.3	-38.4	-178.6	-69.4	-179.9	0	0	0	112.2	L128 Q129 M135 L158 F163 V190 I192 V198 V200	L128-L132 HydrophobicContact CD2-CD1 4.3Å; L128-L132 HydrophobicContact CG-CD1 4.05Å; L128-L132 HydrophobicContact CG-CG 4.36Å; L128-L132 WeakPolarHBondContact O-CB 3.38Å; L128-L132 WeakPolarHBondContact O-CG 3.42Å; L128-L132 PolarHBondContact O-N 3.39Å; Q129-L132 PolarHBondContact O-N 3.37Å; L132-M135 HydrophobicContact CD2-CE 3.21Å; L132-M135 HydrophobicContact CD2-SD 3.96Å; L132-M135 HydrophobicContact CG-CE 4.41Å; L132-M135 WeakPolarHBondContact O-CG 3.41Å; L132-L158 HydrophobicContact CD2-CD2 4.32Å; L132-F163 HydrophobicContact CD2-CD1 4.48Å; L132-F163 HydrophobicContact CD2-CD2 4.16Å; L132-F163 HydrophobicContact CD2-CE1 4.39Å; L132-F163 HydrophobicContact CD2-CE2 4.07Å; L132-F163 HydrophobicContact CD2-CG 4.36Å; L132-F163 HydrophobicContact CD2-CZ 4.19Å; L132-V190 HydrophobicContact CD1-CB 4.48Å; L132-V190 HydrophobicContact CD1-CG1 4.18Å; L132-I192 HydrophobicContact CD1-CD1 4.22Å; L132-V198 HydrophobicContact CB-CG1 3.9Å; L132-V200 HydrophobicContact CB-CG2 3.98Å; L132-V200 HydrophobicContact CD2-CG2 4.48Å
133	S	87.6	Confident	88.2	Confident	49 Å²	49	45.6 Å²	45.6	34%	0.343	25%	0.245	S	C	.	.	H	α-helix	trans	-71.1	-34.1	178.4	53.9	0	0	0	0	113.7	Q129 Q130	Q129-S133 WeakPolarHBondContact O-CB 3.38Å; Q129-S133 PolarHBondContact O-N 3.27Å; Q129-S133 PolarHBondContact O-OG 3.42Å; Q130-S133 WeakPolarHBondContact CA-OG 3.36Å; Q130-S133 PolarHBondContact O-OG 3.12Å; Q130-S133 VanDerWaalsContact O-OG 3.12Å
134	N	87.4	Confident	88.3	Confident	56 Å²	56	48.7 Å²	48.7	30%	0.299	26%	0.259	S	S	.	.	H	α-helix	trans	-90	-6.2	-177.6	-72.8	-54.3	0	0	0	114.4	Q130 R131 I226	Q130-N134 WeakPolarHBondContact O-CB 3.36Å; Q130-N134 PolarHBondContact O-N 3.08Å; Q130-N134 PolarHBondContact O-ND2 3.43Å; R131-N134 PolarHBondContact O-N 2.91Å; N134-I226 HydrophobicContact CB-CG1 4.18Å
135	M	86.5	Confident	88.4	Confident	4 Å²	4	49.5 Å²	49.5	2%	0.02	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-96.8	158.7	179.6	75	179	-164.9	0	0	112.3	R131 L132 L137 L158 F163 V200 F223	R131-M135 WeakPolarHBondContact O-CB 3.46Å; R131-M135 WeakPolarHBondContact O-CG 3.49Å; R131-M135 PolarHBondContact O-N 3.47Å; L132-M135 HydrophobicContact CD2-CE 3.21Å; L132-M135 HydrophobicContact CD2-SD 3.96Å; L132-M135 HydrophobicContact CG-CE 4.41Å; L132-M135 WeakPolarHBondContact O-CG 3.41Å; M135-L137 HydrophobicContact CE-CD1 4.44Å; M135-L158 HydrophobicContact CE-CD2 3.8Å; M135-F163 HydrophobicContact CE-CD2 4.49Å; M135-F163 HydrophobicContact CE-CE2 4.17Å; M135-F163 HydrophobicContact SD-CD2 4.42Å; M135-F163 HydrophobicContact SD-CE2 3.59Å; M135-F163 VanDerWaalsContact SD-CE2 3.59Å; M135-F163 HydrophobicContact SD-CZ 4.22Å; M135-V200 HydrophobicContact CE-CG1 3.57Å; M135-V200 HydrophobicContact CE-CG2 4.37Å; M135-V200 HydrophobicContact CG-CG1 4.36Å; M135-F223 HydrophobicContact CB-CD1 4.16Å; M135-F223 HydrophobicContact CB-CE1 4.33Å; M135-F223 HydrophobicContact SD-CE1 4.19Å
136	T	88.5	Confident	88.5	Confident	37 Å²	37	55.5 Å²	55.5	23%	0.227	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	114.8	166.1	-56.2	0	0	0	0	109.6	Y138 S201 V222	T136-Y138 HydrophobicContact CG2-CE2 4.3Å; T136-Y138 WeakPolarHBondContact O-CD2 3.41Å; T136-Y138 PolarHBondContact O-N 3.03Å; T136-S201 CarbonylContact C-O 3.09Å; T136-S201 WeakPolarHBondContact CA-O 3.15Å; T136-V222 WeakPolarHBondContact O-CG1 3.41Å
137	L	90	Very high	88.5	Confident	2 Å²	2	55.6 Å²	55.6	1%	0.01	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	115.9	-179.8	-174.9	69.5	0	0	0	110.5	M135 I139 V154 A157 L158 Y161 V200 S201 C202 S203	M135-L137 HydrophobicContact CE-CD1 4.44Å; L137-I139 HydrophobicContact CD2-CD1 4.25Å; L137-I139 HydrophobicContact CD2-CG1 4.11Å; L137-I139 HydrophobicContact CG-CG1 4.15Å; L137-V154 HydrophobicContact CD2-CG1 3.96Å; L137-A157 HydrophobicContact CD1-CB 4.01Å; L137-A157 HydrophobicContact CD2-CB 4.26Å; L137-A157 HydrophobicContact CG-CB 4.2Å; L137-L158 HydrophobicContact CD1-CD2 3.95Å; L137-L158 HydrophobicContact CD1-CG 4.23Å; L137-L158 HydrophobicContact CD2-CD2 4.12Å; L137-L158 HydrophobicContact CD2-CG 4.03Å; L137-Y161 HydrophobicContact CD1-CD2 3.49Å; L137-Y161 VanDerWaalsContact CD1-CD2 3.49Å; L137-Y161 HydrophobicContact CD1-CE2 3.61Å; L137-V200 HydrophobicContact CB-CG1 3.94Å; L137-S201 PolarHBondContact N-O 3.28Å; L137-C202 HydrophobicContact CB-CB 4.42Å; L137-C202 CarbonylContact O-C 3.33Å; L137-C202 VanDerWaalsContact O-CA 3.32Å; L137-C202 WeakPolarHBondContact O-CA 3.42Å; L137-S203 PolarHBondContact O-N 3.26Å
138	Y	90.6	Very high	88.6	Confident	63 Å²	63	57.4 Å²	57.4	25%	0.247	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	118	170.1	-67	-86	0	0	0	110.4	T136 P140 S203 P218 P219 V222	T136-Y138 HydrophobicContact CG2-CE2 4.3Å; T136-Y138 WeakPolarHBondContact O-CD2 3.41Å; T136-Y138 PolarHBondContact O-N 3.03Å; Y138-P140 WeakPolarHBondContact O-CD 3.34Å; Y138-S203 CarbonylContact C-O 3.54Å; Y138-S203 VanDerWaalsContact CA-O 3.29Å; Y138-S203 WeakPolarHBondContact CA-O 3.47Å; Y138-P218 HydrophobicContact CG-CB 4.41Å; Y138-P219 HydrophobicContact CD1-CG 4.3Å; Y138-P219 HydrophobicContact CD2-CG 3.71Å; Y138-P219 HydrophobicContact CE1-CG 4Å; Y138-P219 HydrophobicContact CE2-CG 3.36Å; Y138-P219 HydrophobicContact CG-CG 4.15Å; Y138-V222 HydrophobicContact CD2-CG1 4.01Å; Y138-V222 HydrophobicContact CD2-CG2 3.82Å; Y138-V222 HydrophobicContact CE2-CB 4.43Å; Y138-V222 HydrophobicContact CE2-CG1 3.71Å; Y138-V222 HydrophobicContact CE2-CG2 3.83Å
139	I	91	Very high	88.7	Confident	1 Å²	1	55.7 Å²	55.7	1%	0.005	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	108.2	-179.9	-55.4	-175.5	0	0	0	108.8	L137 M141 L149 H153 V154 A157 F186 I188 S203 F205	L137-I139 HydrophobicContact CD2-CD1 4.25Å; L137-I139 HydrophobicContact CD2-CG1 4.11Å; L137-I139 HydrophobicContact CG-CG1 4.15Å; I139-M141 HydrophobicContact CG2-CG 4.24Å; I139-M141 HydrophobicContact CG2-SD 3.98Å; I139-M141 PolarHBondContact O-N 3.28Å; I139-L149 HydrophobicContact CD1-CD1 3.83Å; I139-L149 HydrophobicContact CG2-CD1 4.24Å; I139-H153 HydrophobicContact CG2-CB 4.21Å; I139-V154 HydrophobicContact CD1-CG2 3.98Å; I139-A157 HydrophobicContact CB-CB 4.45Å; I139-A157 HydrophobicContact CG1-CB 4.03Å; I139-A157 HydrophobicContact CG2-CB 4.44Å; I139-F186 HydrophobicContact CD1-CZ 4.01Å; I139-I188 HydrophobicContact CD1-CD1 4.18Å; I139-S203 PolarHBondContact N-O 2.95Å; I139-F205 PolarHBondContact O-N 2.95Å
140	P	89.1	Confident	88.8	Confident	27 Å²	27	57.2 Å²	57.2	18%	0.175	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	123.9	-178.9	28.4	-32.4	0	0	0	111.1	Y138 F205 Y207	Y138-P140 WeakPolarHBondContact O-CD 3.34Å; P140-F205 WeakPolarHBondContact CA-O 3.39Å; P140-F205 HydrophobicContact CB-CD1 4.48Å; P140-Y207 HydrophobicContact CB-CD2 4.26Å; P140-Y207 HydrophobicContact CB-CE1 4.24Å; P140-Y207 HydrophobicContact CB-CE2 3.44Å; P140-Y207 VanDerWaalsContact CB-CE2 3.44Å; P140-Y207 VanDerWaalsContact CB-OH 3.26Å; P140-Y207 WeakPolarHBondContact CB-OH 3.49Å; P140-Y207 HydrophobicContact CG-CE2 4.43Å
141	M	90	Very high	89.1	Confident	11 Å²	11	58.7 Å²	58.7	5%	0.054	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	155.9	178.5	-59.6	-59.8	-83.3	0	0	110.8	I139 W147 H153 I204 F205 L206 Y207	I139-M141 HydrophobicContact CG2-CG 4.24Å; I139-M141 HydrophobicContact CG2-SD 3.98Å; I139-M141 PolarHBondContact O-N 3.28Å; M141-W147 HydrophobicContact CB-CD2 4.18Å; M141-W147 HydrophobicContact CB-CZ2 3.99Å; M141-W147 HydrophobicContact CE-CB 3.59Å; M141-W147 HydrophobicContact CE-CD2 3.3Å; M141-W147 HydrophobicContact CE-CE3 3.37Å; M141-W147 HydrophobicContact CE-CG 3.4Å; M141-W147 HydrophobicContact CE-CZ3 4.23Å; M141-W147 HydrophobicContact CG-CD2 4.19Å; M141-W147 HydrophobicContact CG-CE3 4.39Å; M141-W147 HydrophobicContact CG-CH2 4.45Å; M141-W147 HydrophobicContact CG-CZ2 4.2Å; M141-H153 HydrophobicContact SD-CB 4.32Å; M141-I204 HydrophobicContact CB-CG2 4.31Å; M141-I204 HydrophobicContact CG-CG2 4.18Å; M141-F205 PolarHBondContact N-O 2.97Å; M141-L206 HydrophobicContact CB-CD2 4.41Å; M141-L206 WeakPolarHBondContact O-CB 3.33Å; M141-Y207 PolarHBondContact O-N 3.41Å; M141-Y207 VanDerWaalsContact O-N 3.08Å
142	N	88.1	Confident	89.3	Confident	82 Å²	82	56.1 Å²	56.1	44%	0.439	29%	0.294	S	S	.	.			trans	-88.6	123.3	175.9	-178.9	0.5	0	0	0	109.8	S144 W147	N142-S144 VanDerWaalsContact C-N 3.32Å; N142-S144 PolarHBondContact O-N 3.41Å; N142-S144 PolarHBondContact OD1-N 3.29Å; N142-W147 PolarHBondContact O-NE1 3.46Å; N142-W147 VanDerWaalsContact O-NE1 3.17Å
143	P	86.3	Confident	89.4	Confident	58 Å²	58	58.9 Å²	58.9	38%	0.377	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-23.3	177.7	29.1	-34.8	0	0	0	113.7	R145 L206 Y207	P143-R145 VanDerWaalsContact C-N 3.33Å; P143-R145 PolarHBondContact O-N 3.01Å; P143-L206 HydrophobicContact CB-CB 4.34Å; P143-L206 HydrophobicContact CB-CD1 4.4Å; P143-L206 HydrophobicContact CB-CD2 4.24Å; P143-L206 HydrophobicContact CG-CB 4.43Å; P143-Y207 WeakPolarHBondContact CD-O 3.3Å; P143-Y207 WeakPolarHBondContact CG-O 3.41Å
144	S	86.6	Confident	89.7	Confident	112 Å²	112	56.6 Å²	56.6	78%	0.783	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-12.9	-174.9	-53.7	0	0	0	0	114.2	N142	N142-S144 VanDerWaalsContact C-N 3.32Å; N142-S144 PolarHBondContact O-N 3.41Å; N142-S144 PolarHBondContact OD1-N 3.29Å
145	R	87.2	Confident	90	Very high	192 Å²	192	57.8 Å²	57.8	73%	0.725	29%	0.294	S	S	*	.	S	Bend	trans	-118.5	141.6	-178.8	-170.6	176.6	-179.9	171.8	1.6	109.1	P143 W147	P143-R145 VanDerWaalsContact C-N 3.33Å; P143-R145 PolarHBondContact O-N 3.01Å; R145-W147 PolarHBondContact O-N 3.39Å
146	E	88.8	Confident	90.3	Very high	161 Å²	161	62.3 Å²	62.3	75%	0.752	32%	0.321	S	S	*	.			trans	-68.3	132.2	169.8	-62.4	-172	158.9	0	0	110.3
147	W	88.5	Confident	90.4	Very high	22 Å²	22	60.6 Å²	60.6	8%	0.083	31%	0.311	C	S	.	.			trans	-140.3	150.5	-179.5	52.1	-101.2	0	0	0	110.3	M141 N142 R145 I177 S179 I204 L206	M141-W147 HydrophobicContact CB-CD2 4.18Å; M141-W147 HydrophobicContact CB-CZ2 3.99Å; M141-W147 HydrophobicContact CE-CB 3.59Å; M141-W147 HydrophobicContact CE-CD2 3.3Å; M141-W147 HydrophobicContact CE-CE3 3.37Å; M141-W147 HydrophobicContact CE-CG 3.4Å; M141-W147 HydrophobicContact CE-CZ3 4.23Å; M141-W147 HydrophobicContact CG-CD2 4.19Å; M141-W147 HydrophobicContact CG-CE3 4.39Å; M141-W147 HydrophobicContact CG-CH2 4.45Å; M141-W147 HydrophobicContact CG-CZ2 4.2Å; N142-W147 PolarHBondContact O-NE1 3.46Å; N142-W147 VanDerWaalsContact O-NE1 3.17Å; R145-W147 PolarHBondContact O-N 3.39Å; W147-I177 HydrophobicContact CH2-CG2 4.49Å; W147-I177 HydrophobicContact CZ3-CG2 4.22Å; W147-S179 PolarHBondContact O-N 3.46Å; W147-S179 VanDerWaalsContact O-N 3.09Å; W147-I204 HydrophobicContact CH2-CD1 3.59Å; W147-I204 HydrophobicContact CH2-CG1 4.13Å; W147-I204 HydrophobicContact CH2-CG2 3.99Å; W147-I204 HydrophobicContact CZ2-CG2 4Å; W147-I204 HydrophobicContact CZ3-CD1 4.12Å; W147-L206 HydrophobicContact CZ2-CD2 3.86Å
148	T	90.4	Very high	90.5	Very high	71 Å²	71	60.6 Å²	60.6	44%	0.436	31%	0.311	S	S	.	.	B	Isolated β-bridge	trans	-116.6	141.5	168.5	52.1	0	0	0	0	108.8	N150 H153 T178	T148-N150 PolarHBondContact O-N 3.42Å; T148-N150 VanDerWaalsContact O-N 3.12Å; T148-H153 PolarHBondContact O-CE1 3.48Å; T148-H153 PolarHBondContact O-ND1 3.21Å; T148-T178 HydrophobicContact CG2-CG2 4.3Å
149	L	90.5	Very high	90.5	Very high	16 Å²	16	67 Å²	67	8%	0.084	33%	0.334	C	S	.	.			trans	-71.5	108.8	-178.9	-175.4	72.9	0	0	0	110.9	I139 H153 V154 L172 I177 F186	I139-L149 HydrophobicContact CD1-CD1 3.83Å; I139-L149 HydrophobicContact CG2-CD1 4.24Å; L149-H153 HydrophobicContact CD1-CB 4.11Å; L149-V154 HydrophobicContact CD1-CG2 4.27Å; L149-L172 HydrophobicContact CD2-CD2 4.15Å; L149-L172 HydrophobicContact CG-CD2 4.36Å; L149-I177 HydrophobicContact CB-CB 4.08Å; L149-I177 HydrophobicContact CD2-CB 4.43Å; L149-I177 HydrophobicContact CD2-CD1 3.66Å; L149-I177 PolarHBondContact N-O 2.84Å; L149-F186 HydrophobicContact CD2-CD2 4.42Å; L149-F186 HydrophobicContact CD2-CE1 4.47Å; L149-F186 HydrophobicContact CD2-CE2 3.43Å; L149-F186 VanDerWaalsContact CD2-CE2 3.43Å; L149-F186 HydrophobicContact CD2-CZ 3.47Å; L149-F186 VanDerWaalsContact CD2-CZ 3.47Å
150	N	92.3	Very high	90.3	Very high	78 Å²	78	72.4 Å²	72.4	42%	0.417	36%	0.355	S	S	.	.			trans	-103.8	162.9	174	-65.5	-26.9	0	0	0	111.4	T148 T152 H153 V154	T148-N150 PolarHBondContact O-N 3.42Å; T148-N150 VanDerWaalsContact O-N 3.12Å; N150-T152 PolarHBondContact O-N 3.11Å; N150-H153 PolarHBondContact N-ND1 2.87Å; N150-H153 WeakPolarHBondContact O-CB 3.28Å; N150-H153 PolarHBondContact O-N 2.91Å; N150-H153 VanDerWaalsContact O-N 3.1Å; N150-V154 PolarHBondContact O-N 2.83Å
151	K	93.2	Very high	90.2	Very high	76 Å²	76	72.7 Å²	72.7	33%	0.33	35%	0.353	S	S	.	.	H	α-helix	trans	-58.2	-31	175.5	-61.4	-170	-178.1	-160.7	0	112.7	H153 V154 K155 E167 I170 L172	K151-H153 PolarHBondContact O-N 3.36Å; K151-V154 PolarHBondContact O-N 3.19Å; K151-K155 WeakPolarHBondContact O-CB 3.44Å; K151-K155 PolarHBondContact O-N 3.22Å; K151-E167 HydrophobicContact CB-CB 4.45Å; K151-E167 HydrophobicContact CB-CG 4.46Å; K151-E167 WeakPolarHBondContact CD-O 3.16Å; K151-I170 WeakPolarHBondContact CD-O 3.5Å; K151-I170 WeakPolarHBondContact CE-O 3.45Å; K151-I170 PolarHBondContact NZ-O 3.41Å; K151-L172 HydrophobicContact CG-CD1 3.79Å; K151-L172 HydrophobicContact CG-CG 3.94Å
152	T	92.9	Very high	90.1	Very high	60 Å²	60	75.3 Å²	75.3	37%	0.368	38%	0.382	S	S	.	.	H	α-helix	trans	-63.3	-39.2	176.6	53.4	0	0	0	0	112.6	N150 K155 V156	N150-T152 PolarHBondContact O-N 3.11Å; T152-K155 PolarHBondContact O-N 3.09Å; T152-V156 WeakPolarHBondContact O-CG2 2.87Å; T152-V156 PolarHBondContact O-N 2.81Å
153	H	92.2	Very high	90.1	Very high	58 Å²	58	72.3 Å²	72.3	27%	0.269	37%	0.365	S	S	.	.	H	α-helix	trans	-63.4	-44	176	-59.2	142.2	0	0	0	111	I139 M141 T148 L149 N150 K151 V156 A157	I139-H153 HydrophobicContact CG2-CB 4.21Å; M141-H153 HydrophobicContact SD-CB 4.32Å; T148-H153 PolarHBondContact O-CE1 3.48Å; T148-H153 PolarHBondContact O-ND1 3.21Å; L149-H153 HydrophobicContact CD1-CB 4.11Å; N150-H153 PolarHBondContact N-ND1 2.87Å; N150-H153 WeakPolarHBondContact O-CB 3.28Å; N150-H153 PolarHBondContact O-N 2.91Å; N150-H153 VanDerWaalsContact O-N 3.1Å; K151-H153 PolarHBondContact O-N 3.36Å; H153-V156 PolarHBondContact O-N 2.88Å; H153-A157 WeakPolarHBondContact O-CB 3.45Å; H153-A157 PolarHBondContact O-N 3.22Å
154	V	92.9	Very high	90.3	Very high	1 Å²	1	74.5 Å²	74.5	1%	0.006	39%	0.388	C	S	.	.	H	α-helix	trans	-63.5	-44.8	177	-175.5	0	0	0	0	110.8	L137 I139 L149 N150 K151 V156 A157 L158 I170 L172 I188	L137-V154 HydrophobicContact CD2-CG1 3.96Å; I139-V154 HydrophobicContact CD1-CG2 3.98Å; L149-V154 HydrophobicContact CD1-CG2 4.27Å; N150-V154 PolarHBondContact O-N 2.83Å; K151-V154 PolarHBondContact O-N 3.19Å; V154-V156 PolarHBondContact O-N 3.31Å; V154-A157 PolarHBondContact O-N 3Å; V154-L158 HydrophobicContact CG1-CD1 3.84Å; V154-L158 HydrophobicContact CG1-CG 4.36Å; V154-L158 WeakPolarHBondContact O-CB 3.43Å; V154-L158 WeakPolarHBondContact O-CG 3.32Å; V154-L158 PolarHBondContact O-N 3.09Å; V154-I170 HydrophobicContact CB-CG2 4.29Å; V154-I170 HydrophobicContact CG1-CD1 4.27Å; V154-I170 HydrophobicContact CG1-CG2 3.94Å; V154-L172 HydrophobicContact CG2-CD2 3.87Å; V154-I188 HydrophobicContact CB-CD1 4.23Å; V154-I188 HydrophobicContact CG1-CD1 3.58Å; V154-I188 HydrophobicContact CG1-CG2 4.39Å; V154-I188 HydrophobicContact CG2-CD1 3.54Å
155	K	94	Very high	90.4	Very high	82 Å²	82	70.4 Å²	70.4	36%	0.357	36%	0.357	S	S	.	.	H	α-helix	trans	-58.1	-46	176.8	-179.3	-168.6	-164.2	176.6	0	112.4	K151 T152 L158 R159 E167 I170	K151-K155 WeakPolarHBondContact O-CB 3.44Å; K151-K155 PolarHBondContact O-N 3.22Å; T152-K155 PolarHBondContact O-N 3.09Å; K155-L158 PolarHBondContact O-N 3.37Å; K155-R159 WeakPolarHBondContact O-CB 3.22Å; K155-R159 PolarHBondContact O-N 2.76Å; K155-E167 HydrophobicContact CD-CG 3.8Å; K155-E167 WeakPolarHBondContact CD-OE1 3.08Å; K155-E167 IonicContact NZ-OE1 2.78Å; K155-E167 PolarHBondContact NZ-OE1 2.83Å; K155-I170 HydrophobicContact CB-CD1 4.31Å
156	V	92.5	Very high	90.6	Very high	98 Å²	98	68 Å²	68	59%	0.594	35%	0.352	S	S	*	.	H	α-helix	trans	-66.1	-40.8	177.9	174.5	0	0	0	0	110.8	T152 H153 V154 R159 R160	T152-V156 WeakPolarHBondContact O-CG2 2.87Å; T152-V156 PolarHBondContact O-N 2.81Å; H153-V156 PolarHBondContact O-N 2.88Å; V154-V156 PolarHBondContact O-N 3.31Å; V156-R159 PolarHBondContact O-N 3.27Å; V156-R160 PolarHBondContact O-N 3.01Å; V156-R160 VanDerWaalsContact O-N 3.11Å
157	A	91.4	Very high	90.7	Very high	2 Å²	2	63.8 Å²	63.8	2%	0.017	33%	0.333	C	S	.	.	H	α-helix	trans	-60.8	-49.4	175.4	0	0	0	0	0	111.2	L137 I139 H153 V154 R159 R160 Y161	L137-A157 HydrophobicContact CD1-CB 4.01Å; L137-A157 HydrophobicContact CD2-CB 4.26Å; L137-A157 HydrophobicContact CG-CB 4.2Å; I139-A157 HydrophobicContact CB-CB 4.45Å; I139-A157 HydrophobicContact CG1-CB 4.03Å; I139-A157 HydrophobicContact CG2-CB 4.44Å; H153-A157 WeakPolarHBondContact O-CB 3.45Å; H153-A157 PolarHBondContact O-N 3.22Å; V154-A157 PolarHBondContact O-N 3Å; A157-R159 VanDerWaalsContact C-N 3.32Å; A157-R159 PolarHBondContact O-N 2.8Å; A157-R160 WeakPolarHBondContact O-CB 3.39Å; A157-R160 PolarHBondContact O-N 3.46Å; A157-R160 VanDerWaalsContact O-N 3.12Å; A157-Y161 WeakPolarHBondContact O-CD2 3.46Å; A157-Y161 PolarHBondContact O-N 2.86Å
158	L	91.5	Very high	90.7	Very high	1 Å²	1	68.3 Å²	68.3	1%	0.005	35%	0.354	C	S	.	.	H	α-helix	trans	-58.7	-41.7	176.8	-74.9	166.6	0	0	0	112.2	L132 M135 L137 V154 K155 R160 Y161 G162 F163 I165 I170	L132-L158 HydrophobicContact CD2-CD2 4.32Å; M135-L158 HydrophobicContact CE-CD2 3.8Å; L137-L158 HydrophobicContact CD1-CD2 3.95Å; L137-L158 HydrophobicContact CD1-CG 4.23Å; L137-L158 HydrophobicContact CD2-CD2 4.12Å; L137-L158 HydrophobicContact CD2-CG 4.03Å; V154-L158 HydrophobicContact CG1-CD1 3.84Å; V154-L158 HydrophobicContact CG1-CG 4.36Å; V154-L158 WeakPolarHBondContact O-CB 3.43Å; V154-L158 WeakPolarHBondContact O-CG 3.32Å; V154-L158 PolarHBondContact O-N 3.09Å; K155-L158 PolarHBondContact O-N 3.37Å; L158-R160 VanDerWaalsContact C-N 3.28Å; L158-R160 PolarHBondContact O-N 3.19Å; L158-Y161 PolarHBondContact O-N 2.8Å; L158-Y161 VanDerWaalsContact O-N 3.09Å; L158-G162 PolarHBondContact O-N 3.44Å; L158-F163 CarbonylContact C-O 3.53Å; L158-F163 HydrophobicContact CB-CB 4.26Å; L158-F163 HydrophobicContact CD2-CD2 4.24Å; L158-F163 PolarHBondContact O-N 2.85Å; L158-I165 HydrophobicContact CD1-CD1 3.85Å; L158-I165 HydrophobicContact CD2-CD1 4.36Å; L158-I170 HydrophobicContact CD1-CD1 4Å
159	R	92	Very high	90.8	Very high	197 Å²	197	68 Å²	68	74%	0.743	35%	0.346	S	S	*	.	H	α-helix	trans	-60.1	-37.7	176.4	-173.1	178.5	-177.1	179.1	2	112.3	K155 V156 A157 Y161 G162 F163	K155-R159 WeakPolarHBondContact O-CB 3.22Å; K155-R159 PolarHBondContact O-N 2.76Å; V156-R159 PolarHBondContact O-N 3.27Å; A157-R159 VanDerWaalsContact C-N 3.32Å; A157-R159 PolarHBondContact O-N 2.8Å; R159-Y161 VanDerWaalsContact C-N 3.26Å; R159-Y161 PolarHBondContact O-N 3.26Å; R159-G162 PolarHBondContact O-N 3.29Å; R159-F163 VanDerWaalsContact CA-O 3.28Å; R159-F163 WeakPolarHBondContact CA-O 2.91Å; R159-F163 PolarHBondContact N-O 3.45Å
160	R	87.1	Confident	90.9	Very high	115 Å²	115	67.3 Å²	67.3	43%	0.434	34%	0.342	S	S	.	.	H	α-helix	trans	-63.3	-33.4	176.8	-175.5	179.9	173.7	161.6	3.1	112.3	V156 A157 L158 G162 Y207 P218	V156-R160 PolarHBondContact O-N 3.01Å; V156-R160 VanDerWaalsContact O-N 3.11Å; A157-R160 WeakPolarHBondContact O-CB 3.39Å; A157-R160 PolarHBondContact O-N 3.46Å; A157-R160 VanDerWaalsContact O-N 3.12Å; L158-R160 VanDerWaalsContact C-N 3.28Å; L158-R160 PolarHBondContact O-N 3.19Å; R160-G162 PolarHBondContact O-N 3.33Å; R160-Y207 PolarHBondContact NH1-OH 2.88Å; R160-P218 VanDerWaalsContact NH1-CD 3.31Å; R160-P218 VanDerWaalsContact NH1-CG 3.27Å
161	Y	86.3	Confident	90.9	Very high	34 Å²	34	66.5 Å²	66.5	13%	0.133	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-0.7	173.8	-71	-78.8	0	0	0	113.5	L137 A157 L158 R159 V222 F223	L137-Y161 HydrophobicContact CD1-CD2 3.49Å; L137-Y161 VanDerWaalsContact CD1-CD2 3.49Å; L137-Y161 HydrophobicContact CD1-CE2 3.61Å; A157-Y161 WeakPolarHBondContact O-CD2 3.46Å; A157-Y161 PolarHBondContact O-N 2.86Å; L158-Y161 PolarHBondContact O-N 2.8Å; L158-Y161 VanDerWaalsContact O-N 3.09Å; R159-Y161 VanDerWaalsContact C-N 3.26Å; R159-Y161 PolarHBondContact O-N 3.26Å; Y161-V222 HydrophobicContact CE1-CB 4.07Å; Y161-V222 HydrophobicContact CE1-CG2 3.78Å; Y161-F223 HydrophobicContact CD1-CE2 4.32Å; Y161-F223 AromaticContact CD1-CZ 3.94Å; Y161-F223 HydrophobicContact CD1-CZ 3.94Å
162	G	87.7	Confident	90.7	Very high	65 Å²	65	65.6 Å²	65.6	67%	0.67	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.6	7.1	179.1	0	0	0	0	0	114.9	L158 R159 R160	L158-G162 PolarHBondContact O-N 3.44Å; R159-G162 PolarHBondContact O-N 3.29Å; R160-G162 PolarHBondContact O-N 3.33Å
163	F	88.7	Confident	90.5	Very high	19 Å²	19	64.7 Å²	64.7	8%	0.083	34%	0.336	C	S	.	.			trans	-96.1	120.6	178.3	-55.9	-68.8	0	0	0	111.4	L128 R131 L132 M135 L158 R159 I165 F223	L128-F163 HydrophobicContact CD1-CD1 3.47Å; L128-F163 VanDerWaalsContact CD1-CD1 3.47Å; L128-F163 HydrophobicContact CD1-CE1 3.6Å; R131-F163 HydrophobicContact CB-CZ 4.19Å; L132-F163 HydrophobicContact CD2-CD1 4.48Å; L132-F163 HydrophobicContact CD2-CD2 4.16Å; L132-F163 HydrophobicContact CD2-CE1 4.39Å; L132-F163 HydrophobicContact CD2-CE2 4.07Å; L132-F163 HydrophobicContact CD2-CG 4.36Å; L132-F163 HydrophobicContact CD2-CZ 4.19Å; M135-F163 HydrophobicContact CE-CD2 4.49Å; M135-F163 HydrophobicContact CE-CE2 4.17Å; M135-F163 HydrophobicContact SD-CD2 4.42Å; M135-F163 HydrophobicContact SD-CE2 3.59Å; M135-F163 VanDerWaalsContact SD-CE2 3.59Å; M135-F163 HydrophobicContact SD-CZ 4.22Å; L158-F163 CarbonylContact C-O 3.53Å; L158-F163 HydrophobicContact CB-CB 4.26Å; L158-F163 HydrophobicContact CD2-CD2 4.24Å; L158-F163 PolarHBondContact O-N 2.85Å; R159-F163 VanDerWaalsContact CA-O 3.28Å; R159-F163 WeakPolarHBondContact CA-O 2.91Å; R159-F163 PolarHBondContact N-O 3.45Å; F163-I165 HydrophobicContact CB-CD1 4.02Å; F163-I165 HydrophobicContact CB-CG1 4.44Å; F163-F223 HydrophobicContact CE2-CE1 4.21Å; F163-F223 HydrophobicContact CE2-CZ 4.44Å; F163-F223 HydrophobicContact CZ-CE1 4.24Å
164	A	89.7	Confident	90.1	Very high	105 Å²	105	72.3 Å²	72.3	87%	0.868	37%	0.368	S	S	*	.			trans	-97.1	92.3	176	0	0	0	0	0	110.4
165	I	89.3	Confident	89.6	Confident	26 Å²	26	79.5 Å²	79.5	13%	0.133	40%	0.402	C	S	.	.			trans	-115	140.6	-177.5	-64.2	160.6	0	0	0	110.2	L158 F163 I170 V190	L158-I165 HydrophobicContact CD1-CD1 3.85Å; L158-I165 HydrophobicContact CD2-CD1 4.36Å; F163-I165 HydrophobicContact CB-CD1 4.02Å; F163-I165 HydrophobicContact CB-CG1 4.44Å; I165-I170 HydrophobicContact CG2-CD1 4.08Å; I165-I170 HydrophobicContact CG2-CG1 3.85Å; I165-V190 HydrophobicContact CD1-CG1 3.98Å
166	K	91.5	Very high	89.1	Confident	141 Å²	141	83.9 Å²	83.9	61%	0.613	42%	0.424	S	S	*	.			trans	-84.1	154.1	174.1	-66.3	175.6	177.5	175.7	0	110.6	H168 Y169	K166-H168 VanDerWaalsContact C-N 3.27Å; K166-H168 WeakPolarHBondContact CB-CE1 3.1Å; K166-H168 VanDerWaalsContact CB-ND1 3.33Å; K166-H168 WeakPolarHBondContact CB-ND1 3.43Å; K166-H168 VanDerWaalsContact CD-CE1 3.47Å; K166-H168 WeakPolarHBondContact CD-CE1 3.33Å; K166-H168 PolarHBondContact O-N 3.24Å; K166-Y169 HydrophobicContact CB-CD2 4.07Å; K166-Y169 HydrophobicContact CB-CE2 4.37Å; K166-Y169 PolarHBondContact O-N 2.99Å
167	E	89.3	Confident	88.7	Confident	73 Å²	73	79.6 Å²	79.6	34%	0.341	40%	0.397	S	S	.	.	G	3₁₀ helix	trans	-68.4	-23.8	-170.2	-68.5	168.9	-145.4	0	0	114	K151 K155 Y169 I170	K151-E167 HydrophobicContact CB-CB 4.45Å; K151-E167 HydrophobicContact CB-CG 4.46Å; K151-E167 WeakPolarHBondContact CD-O 3.16Å; K155-E167 HydrophobicContact CD-CG 3.8Å; K155-E167 WeakPolarHBondContact CD-OE1 3.08Å; K155-E167 IonicContact NZ-OE1 2.78Å; K155-E167 PolarHBondContact NZ-OE1 2.83Å; E167-Y169 VanDerWaalsContact C-N 3.29Å; E167-Y169 PolarHBondContact O-N 2.94Å; E167-I170 PolarHBondContact O-N 2.88Å
168	H	90.5	Very high	88.4	Confident	116 Å²	116	81.9 Å²	81.9	54%	0.537	41%	0.411	S	S	.	.	G	3₁₀ helix	trans	-71.5	-23.4	179.1	63.9	-83.4	0	0	0	113.4	K166 I170	K166-H168 VanDerWaalsContact C-N 3.27Å; K166-H168 WeakPolarHBondContact CB-CE1 3.1Å; K166-H168 VanDerWaalsContact CB-ND1 3.33Å; K166-H168 WeakPolarHBondContact CB-ND1 3.43Å; K166-H168 VanDerWaalsContact CD-CE1 3.47Å; K166-H168 WeakPolarHBondContact CD-CE1 3.33Å; K166-H168 PolarHBondContact O-N 3.24Å; H168-I170 VanDerWaalsContact C-N 3.3Å
169	Y	90.7	Very high	87.9	Confident	66 Å²	66	83.2 Å²	83.2	26%	0.259	42%	0.421	S	S	.	.	G	3₁₀ helix	trans	-83.3	-4.9	175.3	-63.2	-63.4	0	0	0	113.6	K166 E167 N191	K166-Y169 HydrophobicContact CB-CD2 4.07Å; K166-Y169 HydrophobicContact CB-CE2 4.37Å; K166-Y169 PolarHBondContact O-N 2.99Å; E167-Y169 VanDerWaalsContact C-N 3.29Å; E167-Y169 PolarHBondContact O-N 2.94Å; Y169-N191 HydrophobicContact CD1-CB 4.29Å; Y169-N191 PolarHBondContact O-N 3.36Å
170	I	92.8	Very high	87.3	Confident	0 Å²	0	82 Å²	82	0%	0	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	121.4	-177.5	-56.7	172.6	0	0	0	108.8	K151 V154 K155 L158 I165 E167 H168 I188	K151-I170 WeakPolarHBondContact CD-O 3.5Å; K151-I170 WeakPolarHBondContact CE-O 3.45Å; K151-I170 PolarHBondContact NZ-O 3.41Å; V154-I170 HydrophobicContact CB-CG2 4.29Å; V154-I170 HydrophobicContact CG1-CD1 4.27Å; V154-I170 HydrophobicContact CG1-CG2 3.94Å; K155-I170 HydrophobicContact CB-CD1 4.31Å; L158-I170 HydrophobicContact CD1-CD1 4Å; I165-I170 HydrophobicContact CG2-CD1 4.08Å; I165-I170 HydrophobicContact CG2-CG1 3.85Å; E167-I170 PolarHBondContact O-N 2.88Å; H168-I170 VanDerWaalsContact C-N 3.3Å; I170-I188 HydrophobicContact CG2-CG2 3.83Å
171	S	92.6	Very high	86.9	Confident	61 Å²	61	81.9 Å²	81.9	43%	0.427	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	120.6	175	-79.2	0	0	0	0	109.8	I188 S189	S171-I188 WeakPolarHBondContact O-CG2 3.34Å; S171-S189 WeakPolarHBondContact CB-OG 3.46Å; S171-S189 PolarHBondContact N-O 2.97Å; S171-S189 PolarHBondContact O-N 3.26Å; S171-S189 PolarHBondContact O-OG 2.95Å
172	L	90.2	Very high	86.2	Confident	58 Å²	58	81.9 Å²	81.9	30%	0.304	43%	0.433	S	S	.	.			trans	-78.9	154	-179.8	-69.4	174.5	0	0	0	110.8	L149 K151 V154	L149-L172 HydrophobicContact CD2-CD2 4.15Å; L149-L172 HydrophobicContact CG-CD2 4.36Å; K151-L172 HydrophobicContact CG-CD1 3.79Å; K151-L172 HydrophobicContact CG-CG 3.94Å; V154-L172 HydrophobicContact CG2-CD2 3.87Å
173	P	87	Confident	85.2	Confident	41 Å²	41	85 Å²	85	27%	0.266	44%	0.439	S	S	.	.			trans	-61.8	159	171.7	28.3	-36.1	0	0	0	111.6	E175 I177 F186	P173-E175 PolarHBondContact O-N 2.91Å; P173-I177 HydrophobicContact CG-CD1 3.93Å; P173-F186 HydrophobicContact CG-CD2 3.98Å
174	K	84.3	Confident	84.4	Confident	218 Å²	218	86.5 Å²	86.5	95%	0.948	45%	0.452	S	S	*	.	S	Bend	trans	-65.7	-28.1	177.6	-64.7	-178.9	179.6	179.5	0	112.9
175	E	83.5	Confident	84.2	Confident	151 Å²	151	92.1 Å²	92.1	71%	0.706	45%	0.451	S	S	*	.	S	Bend	trans	-82.1	122.3	178.9	-66	177.3	-172.4	0	0	109.9	P173 I177	P173-E175 PolarHBondContact O-N 2.91Å; E175-I177 PolarHBondContact O-N 3.41Å
176	E	82	Confident	84.2	Confident	174 Å²	174	91.8 Å²	91.8	81%	0.813	45%	0.448	S	S	*	.			trans	-71.7	119.7	174.6	-66	-175	-177.6	0	0	110.1
177	I	83.7	Confident	84.2	Confident	9 Å²	9	91.2 Å²	91.2	5%	0.046	45%	0.446	C	S	.	.			trans	-96.5	113.1	-178.7	-58	153.5	0	0	0	108.8	W147 L149 P173 E175 F186 I204	W147-I177 HydrophobicContact CH2-CG2 4.49Å; W147-I177 HydrophobicContact CZ3-CG2 4.22Å; L149-I177 HydrophobicContact CB-CB 4.08Å; L149-I177 HydrophobicContact CD2-CB 4.43Å; L149-I177 HydrophobicContact CD2-CD1 3.66Å; L149-I177 PolarHBondContact N-O 2.84Å; P173-I177 HydrophobicContact CG-CD1 3.93Å; E175-I177 PolarHBondContact O-N 3.41Å; I177-F186 HydrophobicContact CD1-CB 3.99Å; I177-F186 HydrophobicContact CD1-CD1 3.41Å; I177-F186 VanDerWaalsContact CD1-CD1 3.41Å; I177-F186 HydrophobicContact CD1-CD2 3.47Å; I177-F186 VanDerWaalsContact CD1-CD2 3.47Å; I177-F186 HydrophobicContact CD1-CE1 3.63Å; I177-F186 HydrophobicContact CD1-CE2 3.63Å; I177-F186 HydrophobicContact CD1-CG 3.34Å; I177-F186 HydrophobicContact CD1-CZ 3.72Å; I177-F186 HydrophobicContact CG1-CD1 4.49Å; I177-I204 HydrophobicContact CG2-CD1 3.43Å; I177-I204 VanDerWaalsContact CG2-CD1 3.43Å
178	T	85.8	Confident	84.3	Confident	50 Å²	50	87.8 Å²	87.8	31%	0.307	43%	0.43	S	S	.	.	B	Isolated β-bridge	trans	-111	161.4	-179.6	-39.4	0	0	0	0	110.8	T148 K180 N181	T148-T178 HydrophobicContact CG2-CG2 4.3Å; T178-K180 PolarHBondContact O-N 2.85Å; T178-N181 CarbonylContact O-C 3.58Å; T178-N181 PolarHBondContact O-N 3.46Å
179	S	81.5	Confident	84.4	Confident	29 Å²	29	83.9 Å²	83.9	20%	0.203	42%	0.416	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47.2	-28.7	175.1	-170.5	0	0	0	0	115.4	W147 P182	W147-S179 PolarHBondContact O-N 3.46Å; W147-S179 VanDerWaalsContact O-N 3.09Å; S179-P182 WeakPolarHBondContact O-CD 3.37Å
180	K	79.4	Confident	84.4	Confident	171 Å²	171	80.9 Å²	80.9	74%	0.743	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-26.6	179	-63.2	-178.4	-179.1	176.7	0	114	T178 P182	T178-K180 PolarHBondContact O-N 2.85Å; K180-P182 VanDerWaalsContact O-CD 3.3Å; K180-P182 WeakPolarHBondContact O-CD 3.36Å
181	N	78.6	Confident	84.4	Confident	112 Å²	112	82.4 Å²	82.4	60%	0.599	41%	0.412	S	S	*	.			trans	-120.1	64.7	-178.2	-69.6	-26	0	0	0	111.1	T178 T183	T178-N181 CarbonylContact O-C 3.58Å; T178-N181 PolarHBondContact O-N 3.46Å; N181-T183 VanDerWaalsContact C-N 3.35Å
182	P	70.9	Confident	84.1	Confident	34 Å²	34	79.9 Å²	79.9	22%	0.221	39%	0.394	C	S	.	.			trans	-79	-18.5	-177.3	32.6	-34.9	0	0	0	113.5	S179 K180 I204	S179-P182 WeakPolarHBondContact O-CD 3.37Å; K180-P182 VanDerWaalsContact O-CD 3.3Å; K180-P182 WeakPolarHBondContact O-CD 3.36Å; P182-I204 HydrophobicContact CB-CG2 4.38Å
183	T	66.6	Low	83.7	Confident	131 Å²	131	81.5 Å²	81.5	80%	0.804	40%	0.403	S	S	*	.			trans	-81.9	-15.7	-163.3	-43.7	0	0	0	0	114	N181 R185	N181-T183 VanDerWaalsContact C-N 3.35Å; T183-R185 PolarHBondContact O-N 3.39Å
184	S	73.4	Confident	83.6	Confident	50 Å²	50	85.3 Å²	85.3	35%	0.35	42%	0.421	S	S	.	.			trans	-74.8	123	-179.2	48.8	0	0	0	0	110.5	F186	S184-F186 WeakPolarHBondContact O-CD1 3.29Å
185	R	84.3	Confident	83.6	Confident	224 Å²	224	77.6 Å²	77.6	85%	0.845	39%	0.39	S	S	*	.			trans	-67.3	132.3	160.9	-66.9	-179	-178.3	165.9	1.4	107.4	T183	T183-R185 PolarHBondContact O-N 3.39Å
186	F	89.1	Confident	83.7	Confident	18 Å²	18	72.1 Å²	72.1	8%	0.079	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	167.2	180	61.7	-85	0	0	0	110.4	I139 L149 P173 I177 S184 I188 C202 I204	I139-F186 HydrophobicContact CD1-CZ 4.01Å; L149-F186 HydrophobicContact CD2-CD2 4.42Å; L149-F186 HydrophobicContact CD2-CE1 4.47Å; L149-F186 HydrophobicContact CD2-CE2 3.43Å; L149-F186 VanDerWaalsContact CD2-CE2 3.43Å; L149-F186 HydrophobicContact CD2-CZ 3.47Å; L149-F186 VanDerWaalsContact CD2-CZ 3.47Å; P173-F186 HydrophobicContact CG-CD2 3.98Å; I177-F186 HydrophobicContact CD1-CB 3.99Å; I177-F186 HydrophobicContact CD1-CD1 3.41Å; I177-F186 VanDerWaalsContact CD1-CD1 3.41Å; I177-F186 HydrophobicContact CD1-CD2 3.47Å; I177-F186 VanDerWaalsContact CD1-CD2 3.47Å; I177-F186 HydrophobicContact CD1-CE1 3.63Å; I177-F186 HydrophobicContact CD1-CE2 3.63Å; I177-F186 HydrophobicContact CD1-CG 3.34Å; I177-F186 HydrophobicContact CD1-CZ 3.72Å; I177-F186 HydrophobicContact CG1-CD1 4.49Å; S184-F186 WeakPolarHBondContact O-CD1 3.29Å; F186-I188 HydrophobicContact CD2-CG1 3.92Å; F186-I188 HydrophobicContact CE2-CD1 3.73Å; F186-I188 HydrophobicContact CE2-CG1 3.62Å; F186-C202 HydrophobicContact CD1-CB 4.46Å; F186-C202 HydrophobicContact CD2-CB 3.96Å; F186-C202 HydrophobicContact CE1-CB 4.12Å; F186-C202 HydrophobicContact CE2-CB 3.61Å; F186-C202 HydrophobicContact CG-CB 4.39Å; F186-C202 HydrophobicContact CZ-CB 3.69Å; F186-C202 PolarHBondContact N-O 3.28Å; F186-C202 PolarHBondContact O-N 3.12Å; F186-I204 HydrophobicContact CE1-CD1 3.98Å; F186-I204 HydrophobicContact CE1-CG1 4.04Å
187	K	91.3	Very high	84.2	Confident	129 Å²	129	69 Å²	69	56%	0.561	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.5	137	179.1	-65.5	-178.5	178.2	-176.2	0	109.9	D199 V200	K187-D199 HydrophobicContact CD-CB 4.5Å; K187-V200 WeakPolarHBondContact CA-O 3.33Å
188	I	91.6	Very high	84.5	Confident	2 Å²	2	68.9 Å²	68.9	1%	0.01	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	133.4	172.1	-59.3	177.8	0	0	0	107.1	I139 V154 I170 S171 F186 V190 V200 C202	I139-I188 HydrophobicContact CD1-CD1 4.18Å; V154-I188 HydrophobicContact CB-CD1 4.23Å; V154-I188 HydrophobicContact CG1-CD1 3.58Å; V154-I188 HydrophobicContact CG1-CG2 4.39Å; V154-I188 HydrophobicContact CG2-CD1 3.54Å; I170-I188 HydrophobicContact CG2-CG2 3.83Å; S171-I188 WeakPolarHBondContact O-CG2 3.34Å; F186-I188 HydrophobicContact CD2-CG1 3.92Å; F186-I188 HydrophobicContact CE2-CD1 3.73Å; F186-I188 HydrophobicContact CE2-CG1 3.62Å; I188-V190 HydrophobicContact CG2-CG2 4.46Å; I188-V200 PolarHBondContact N-O 3.37Å; I188-V200 PolarHBondContact O-N 3.39Å; I188-C202 HydrophobicContact CD1-CB 4.22Å; I188-C202 WeakPolarHBondContact CD1-SG 3.43Å; I188-C202 HydrophobicContact CG1-CB 4.32Å; I188-C202 WeakPolarHBondContact CG1-SG 3.22Å
189	S	92.7	Very high	84.8	Confident	34 Å²	34	70.9 Å²	70.9	24%	0.238	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	121.1	172.7	52.5	0	0	0	0	109.7	S171 V198	S171-S189 WeakPolarHBondContact CB-OG 3.46Å; S171-S189 PolarHBondContact N-O 2.97Å; S171-S189 PolarHBondContact O-N 3.26Å; S171-S189 PolarHBondContact O-OG 2.95Å; S189-V198 WeakPolarHBondContact CA-O 3.13Å
190	V	92.3	Very high	85.3	Confident	3 Å²	3	69.5 Å²	69.5	2%	0.018	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	123.2	173.6	179.4	0	0	0	0	108.1	L132 I165 I188 V198 V200	L132-V190 HydrophobicContact CD1-CB 4.48Å; L132-V190 HydrophobicContact CD1-CG1 4.18Å; I165-V190 HydrophobicContact CD1-CG1 3.98Å; I188-V190 HydrophobicContact CG2-CG2 4.46Å; V190-V198 PolarHBondContact N-O 2.99Å; V190-V198 PolarHBondContact O-N 3.18Å; V190-V200 HydrophobicContact CG2-CG2 3.95Å
191	N	91.7	Very high	85.8	Confident	32 Å²	32	63.9 Å²	63.9	17%	0.171	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	132.4	175.1	-173.7	-63.3	0	0	0	110.3	Y169 D194 N197	Y169-N191 HydrophobicContact CD1-CB 4.29Å; Y169-N191 PolarHBondContact O-N 3.36Å; N191-D194 WeakPolarHBondContact OD1-CA 3.28Å; N191-D194 PolarHBondContact OD1-N 3.29Å; N191-D194 PolarHBondContact OD1-OD1 3.09Å; N191-N197 WeakPolarHBondContact CB-OD1 3.21Å; N191-N197 PolarHBondContact ND2-OD1 3.31Å
192	I	87.2	Confident	86.4	Confident	7 Å²	7	58.6 Å²	58.6	4%	0.036	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	118.3	173.6	-56	172.1	0	0	0	108.2	L121 L128 Q129 L132 D194 I195 V196 V198	L121-I192 HydrophobicContact CD1-CB 4.1Å; L121-I192 HydrophobicContact CD1-CD1 4.07Å; L121-I192 HydrophobicContact CD1-CG2 3.88Å; L121-I192 HydrophobicContact CD2-CG2 3.97Å; L128-I192 HydrophobicContact CD2-CD1 3.96Å; L128-I192 HydrophobicContact CD2-CG1 4.06Å; L128-I192 HydrophobicContact CD2-CG2 4.24Å; L128-I192 HydrophobicContact CG-CD1 4.46Å; Q129-I192 HydrophobicContact CB-CD1 3.81Å; L132-I192 HydrophobicContact CD1-CD1 4.22Å; I192-D194 PolarHBondContact O-N 3.34Å; I192-I195 PolarHBondContact O-N 3Å; I192-V196 PolarHBondContact N-O 2.95Å; I192-V196 PolarHBondContact O-N 3.29Å; I192-V198 HydrophobicContact CD1-CG2 3.53Å; I192-V198 HydrophobicContact CG1-CG2 4.21Å
193	D	81.8	Confident	87.2	Confident	93 Å²	93	58.3 Å²	58.3	50%	0.497	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.6	22.7	172.7	-58.3	-31.5	0	0	0	115.3	S125 I195	S125-D193 PolarHBondContact OG-OD2 3.48Å; S125-D193 VanDerWaalsContact OG-OD2 3.09Å; D193-I195 HydrophobicContact CB-CD1 3.96Å; D193-I195 HydrophobicContact CB-CG1 4.38Å; D193-I195 WeakPolarHBondContact O-CG1 3.45Å; D193-I195 PolarHBondContact O-N 3.4Å
194	D	83.2	Confident	88.4	Confident	120 Å²	120	52.8 Å²	52.8	64%	0.642	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.1	14.3	-173.7	-57.3	-45.9	0	0	0	114.7	N191 I192	N191-D194 WeakPolarHBondContact OD1-CA 3.28Å; N191-D194 PolarHBondContact OD1-N 3.29Å; N191-D194 PolarHBondContact OD1-OD1 3.09Å; I192-D194 PolarHBondContact O-N 3.34Å
195	I	84.7	Confident	89.1	Confident	57 Å²	57	52.1 Å²	52.1	29%	0.292	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-48.1	-177.9	-56.4	160.9	0	0	0	110.6	P118 T119 L121 I192 D193	P118-I195 HydrophobicContact CB-CD1 4.39Å; P118-I195 HydrophobicContact CG-CD1 3.82Å; T119-I195 WeakPolarHBondContact O-CG2 3.26Å; L121-I195 HydrophobicContact CD2-CB 4.2Å; L121-I195 HydrophobicContact CD2-CD1 3.81Å; I192-I195 PolarHBondContact O-N 3Å; D193-I195 HydrophobicContact CB-CD1 3.96Å; D193-I195 HydrophobicContact CB-CG1 4.38Å; D193-I195 WeakPolarHBondContact O-CG1 3.45Å; D193-I195 PolarHBondContact O-N 3.4Å
196	V	87	Confident	89.3	Confident	35 Å²	35	44.2 Å²	44.2	21%	0.212	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	134	-172.5	-177.3	0	0	0	0	110.9	L121 I192 V198	L121-V196 HydrophobicContact CD1-CB 3.89Å; L121-V196 HydrophobicContact CD1-CG2 3.78Å; L121-V196 HydrophobicContact CG-CB 4.43Å; L121-V196 HydrophobicContact CG-CG2 3.82Å; I192-V196 PolarHBondContact N-O 2.95Å; I192-V196 PolarHBondContact O-N 3.29Å; V196-V198 HydrophobicContact CG1-CG2 4.09Å
197	N	91.3	Very high	89.1	Confident	109 Å²	109	47.1 Å²	47.1	58%	0.583	25%	0.248	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-95.2	123.8	167.3	-66.2	-46.4	0	0	0	109.6	N191	N191-N197 WeakPolarHBondContact CB-OD1 3.21Å; N191-N197 PolarHBondContact ND2-OD1 3.31Å
198	V	90.8	Very high	88.7	Confident	7 Å²	7	47 Å²	47	4%	0.042	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	124.1	-179.4	-175	0	0	0	0	110.3	Q129 L132 S189 V190 I192 V196 V200	Q129-V198 HydrophobicContact CB-CG2 4.28Å; Q129-V198 HydrophobicContact CG-CG2 3.76Å; L132-V198 HydrophobicContact CB-CG1 3.9Å; S189-V198 WeakPolarHBondContact CA-O 3.13Å; V190-V198 PolarHBondContact N-O 2.99Å; V190-V198 PolarHBondContact O-N 3.18Å; I192-V198 HydrophobicContact CD1-CG2 3.53Å; I192-V198 HydrophobicContact CG1-CG2 4.21Å; V196-V198 HydrophobicContact CG1-CG2 4.09Å; V198-V200 PolarHBondContact O-N 2.82Å
199	D	91.8	Very high	88.1	Confident	91 Å²	91	56 Å²	56	49%	0.487	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	114.7	174.6	-73	-11.1	0	0	0	110.8	K187	K187-D199 HydrophobicContact CD-CB 4.5Å
200	V	91.4	Very high	87.3	Confident	1 Å²	1	59.3 Å²	59.3	1%	0.006	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	121.8	176.5	-176.3	0	0	0	0	109.1	L132 M135 L137 K187 I188 V190 V198 C202	L132-V200 HydrophobicContact CB-CG2 3.98Å; L132-V200 HydrophobicContact CD2-CG2 4.48Å; M135-V200 HydrophobicContact CE-CG1 3.57Å; M135-V200 HydrophobicContact CE-CG2 4.37Å; M135-V200 HydrophobicContact CG-CG1 4.36Å; L137-V200 HydrophobicContact CB-CG1 3.94Å; K187-V200 WeakPolarHBondContact CA-O 3.33Å; I188-V200 PolarHBondContact N-O 3.37Å; I188-V200 PolarHBondContact O-N 3.39Å; V190-V200 HydrophobicContact CG2-CG2 3.95Å; V198-V200 PolarHBondContact O-N 2.82Å; V200-C202 PolarHBondContact O-N 3.45Å; V200-C202 PolarHBondContact O-SG 3.34Å
201	S	90.6	Very high	86.7	Confident	52 Å²	52	65.1 Å²	65.1	36%	0.364	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	126.9	172.8	-65.2	0	0	0	0	109.5	T136 L137	T136-S201 CarbonylContact C-O 3.09Å; T136-S201 WeakPolarHBondContact CA-O 3.15Å; L137-S201 PolarHBondContact N-O 3.28Å
202	C	90.1	Very high	85.8	Confident	1 Å²	1	74.4 Å²	74.4	1%	0.007	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	146.6	-174.7	-59.9	0	0	0	0	111.2	L137 F186 I188 V200	L137-C202 HydrophobicContact CB-CB 4.42Å; L137-C202 CarbonylContact O-C 3.33Å; L137-C202 VanDerWaalsContact O-CA 3.32Å; L137-C202 WeakPolarHBondContact O-CA 3.42Å; F186-C202 HydrophobicContact CD1-CB 4.46Å; F186-C202 HydrophobicContact CD2-CB 3.96Å; F186-C202 HydrophobicContact CE1-CB 4.12Å; F186-C202 HydrophobicContact CE2-CB 3.61Å; F186-C202 HydrophobicContact CG-CB 4.39Å; F186-C202 HydrophobicContact CZ-CB 3.69Å; F186-C202 PolarHBondContact N-O 3.28Å; F186-C202 PolarHBondContact O-N 3.12Å; I188-C202 HydrophobicContact CD1-CB 4.22Å; I188-C202 WeakPolarHBondContact CD1-SG 3.43Å; I188-C202 HydrophobicContact CG1-CB 4.32Å; I188-C202 WeakPolarHBondContact CG1-SG 3.22Å; V200-C202 PolarHBondContact O-N 3.45Å; V200-C202 PolarHBondContact O-SG 3.34Å
203	S	89	Confident	85.1	Confident	28 Å²	28	77.7 Å²	77.7	20%	0.196	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	140.1	173.9	-171.3	0	0	0	0	109.5	L137 Y138 I139	L137-S203 PolarHBondContact O-N 3.26Å; Y138-S203 CarbonylContact C-O 3.54Å; Y138-S203 VanDerWaalsContact CA-O 3.29Å; Y138-S203 WeakPolarHBondContact CA-O 3.47Å; I139-S203 PolarHBondContact N-O 2.95Å
204	I	90.4	Very high	84.9	Confident	16 Å²	16	79.4 Å²	79.4	8%	0.082	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	141	173.1	-70.4	147.4	0	0	0	109.5	M141 W147 I177 P182 F186 L206	M141-I204 HydrophobicContact CB-CG2 4.31Å; M141-I204 HydrophobicContact CG-CG2 4.18Å; W147-I204 HydrophobicContact CH2-CD1 3.59Å; W147-I204 HydrophobicContact CH2-CG1 4.13Å; W147-I204 HydrophobicContact CH2-CG2 3.99Å; W147-I204 HydrophobicContact CZ2-CG2 4Å; W147-I204 HydrophobicContact CZ3-CD1 4.12Å; I177-I204 HydrophobicContact CG2-CD1 3.43Å; I177-I204 VanDerWaalsContact CG2-CD1 3.43Å; P182-I204 HydrophobicContact CB-CG2 4.38Å; F186-I204 HydrophobicContact CE1-CD1 3.98Å; F186-I204 HydrophobicContact CE1-CG1 4.04Å; I204-L206 HydrophobicContact CG2-CD2 4.09Å; I204-L206 HydrophobicContact CG2-CG 4.18Å
205	F	88.7	Confident	84.6	Confident	36 Å²	36	77 Å²	77	16%	0.158	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	112	175.7	-179.6	-95.7	0	0	0	110.8	I139 P140 M141 Y207 Q217 P218	I139-F205 PolarHBondContact O-N 2.95Å; P140-F205 WeakPolarHBondContact CA-O 3.39Å; P140-F205 HydrophobicContact CB-CD1 4.48Å; M141-F205 PolarHBondContact N-O 2.97Å; F205-Y207 HydrophobicContact CD1-CD1 4.33Å; F205-Y207 HydrophobicContact CD1-CE1 4.35Å; F205-Y207 AromaticContact CE1-CD1 3.89Å; F205-Y207 HydrophobicContact CE1-CD1 3.89Å; F205-Y207 HydrophobicContact CE1-CE1 4.04Å; F205-Y207 PolarHBondContact O-N 2.98Å; F205-Q217 WeakPolarHBondContact CZ-O 3.42Å; F205-P218 HydrophobicContact CB-CB 4.36Å; F205-P218 HydrophobicContact CD1-CB 4.04Å; F205-P218 HydrophobicContact CD1-CG 4.43Å; F205-P218 HydrophobicContact CD2-CB 4.14Å; F205-P218 HydrophobicContact CE1-CB 4.38Å; F205-P218 VanDerWaalsContact CE1-N 3.33Å; F205-P218 HydrophobicContact CE2-CB 4.47Å; F205-P218 HydrophobicContact CG-CB 3.9Å; F205-P218 VanDerWaalsContact CZ-N 3.34Å
206	L	87.5	Confident	84.6	Confident	57 Å²	57	75.6 Å²	75.6	30%	0.298	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	108.4	170.9	55.3	75.8	0	0	0	113.9	M141 P143 W147 I204 Q208 T216	M141-L206 HydrophobicContact CB-CD2 4.41Å; M141-L206 WeakPolarHBondContact O-CB 3.33Å; P143-L206 HydrophobicContact CB-CB 4.34Å; P143-L206 HydrophobicContact CB-CD1 4.4Å; P143-L206 HydrophobicContact CB-CD2 4.24Å; P143-L206 HydrophobicContact CG-CB 4.43Å; W147-L206 HydrophobicContact CZ2-CD2 3.86Å; I204-L206 HydrophobicContact CG2-CD2 4.09Å; I204-L206 HydrophobicContact CG2-CG 4.18Å; L206-Q208 PolarHBondContact O-N 2.91Å; L206-T216 PolarHBondContact O-OG1 3.24Å
207	Y	86	Confident	84.3	Confident	79 Å²	79	80.4 Å²	80.4	31%	0.31	42%	0.422	S	S	.	.			trans	-68.2	123.6	164.5	-78.3	-52.6	0	0	0	110.9	P140 M141 P143 R160 F205 T216	P140-Y207 HydrophobicContact CB-CD2 4.26Å; P140-Y207 HydrophobicContact CB-CE1 4.24Å; P140-Y207 HydrophobicContact CB-CE2 3.44Å; P140-Y207 VanDerWaalsContact CB-CE2 3.44Å; P140-Y207 VanDerWaalsContact CB-OH 3.26Å; P140-Y207 WeakPolarHBondContact CB-OH 3.49Å; P140-Y207 HydrophobicContact CG-CE2 4.43Å; M141-Y207 PolarHBondContact O-N 3.41Å; M141-Y207 VanDerWaalsContact O-N 3.08Å; P143-Y207 WeakPolarHBondContact CD-O 3.3Å; P143-Y207 WeakPolarHBondContact CG-O 3.41Å; R160-Y207 PolarHBondContact NH1-OH 2.88Å; F205-Y207 HydrophobicContact CD1-CD1 4.33Å; F205-Y207 HydrophobicContact CD1-CE1 4.35Å; F205-Y207 AromaticContact CE1-CD1 3.89Å; F205-Y207 HydrophobicContact CE1-CD1 3.89Å; F205-Y207 HydrophobicContact CE1-CE1 4.04Å; F205-Y207 PolarHBondContact O-N 2.98Å; Y207-T216 WeakPolarHBondContact CD1-O 3.48Å; Y207-T216 WeakPolarHBondContact CE1-O 3.4Å
208	Q	82.8	Confident	83.8	Confident	128 Å²	128	75.4 Å²	75.4	60%	0.598	40%	0.395	S	S	*	.			trans	-115.5	135.3	169.3	-66.6	178.5	-20.3	0	0	108.6	L206 T216	L206-Q208 PolarHBondContact O-N 2.91Å; Q208-T216 HydrophobicContact CB-CG2 3.85Å; Q208-T216 PolarHBondContact N-OG1 3Å; Q208-T216 PolarHBondContact O-N 3.5Å
209	K	79.2	Confident	83.3	Confident	190 Å²	190	77.7 Å²	77.7	83%	0.826	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.9	122.7	169.3	-68	-177.5	178.7	179.6	0	107.2
210	L	75.8	Confident	82.2	Confident	104 Å²	104	78.9 Å²	78.9	55%	0.545	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	-55.6	176	-61.6	173.6	0	0	0	109.3	M214 T216	L210-M214 PolarHBondContact N-O 3.38Å; L210-T216 HydrophobicContact CD1-CG2 4Å; L210-T216 HydrophobicContact CD2-CG2 3.95Å; L210-T216 HydrophobicContact CG-CG2 3.94Å
211	D	80.4	Confident	80.9	Confident	124 Å²	124	85.9 Å²	85.9	66%	0.663	46%	0.458	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-145.1	-179.9	-178.6	-76.7	-48.5	0	0	0	112.1	G213 M214	D211-G213 VanDerWaalsContact C-N 3.27Å; D211-G213 PolarHBondContact O-N 3.32Å; D211-M214 PolarHBondContact O-N 3.49Å; D211-M214 VanDerWaalsContact O-N 3.17Å
212	K	71.3	Confident	79.6	Confident	227 Å²	227	84 Å²	84	99%	0.987	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	79.6	178.8	-68	-177.6	-177.3	177.3	0	112.1
213	G	74	Confident	78.5	Confident	77 Å²	77	88 Å²	88	79%	0.794	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	122.2	-10.6	176	0	0	0	0	0	114.6	D211	D211-G213 VanDerWaalsContact C-N 3.27Å; D211-G213 PolarHBondContact O-N 3.32Å
214	M	77.2	Confident	77.4	Confident	128 Å²	128	95.2 Å²	95.2	63%	0.631	49%	0.485	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.8	118.3	179.5	-65.4	-171	71.2	0	0	111.1	L210 D211	L210-M214 PolarHBondContact N-O 3.38Å; D211-M214 PolarHBondContact O-N 3.49Å; D211-M214 VanDerWaalsContact O-N 3.17Å
215	C	77.6	Confident	76.3	Confident	71 Å²	71	104.8 Å²	104.8	48%	0.48	53%	0.526	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	148.4	169.7	-66.9	0	0	0	0	109.5
216	T	83.3	Confident	75.2	Confident	26 Å²	26	105.1 Å²	105.1	16%	0.16	53%	0.529	C	S	.	.			trans	-56.1	142.5	170.1	58.4	0	0	0	0	110.2	L206 Y207 Q208 L210	L206-T216 PolarHBondContact O-OG1 3.24Å; Y207-T216 WeakPolarHBondContact CD1-O 3.48Å; Y207-T216 WeakPolarHBondContact CE1-O 3.4Å; Q208-T216 HydrophobicContact CB-CG2 3.85Å; Q208-T216 PolarHBondContact N-OG1 3Å; Q208-T216 PolarHBondContact O-N 3.5Å; L210-T216 HydrophobicContact CD1-CG2 4Å; L210-T216 HydrophobicContact CD2-CG2 3.95Å; L210-T216 HydrophobicContact CG-CG2 3.94Å
217	Q	81	Confident	74.1	Confident	137 Å²	137	109.1 Å²	109.1	64%	0.64	54%	0.544	S	S	*	.			trans	-112.1	142.3	174	-61.9	-170.7	7.3	0	0	109.1	F205	F205-Q217 WeakPolarHBondContact CZ-O 3.42Å
218	P	80.9	Confident	73.3	Confident	3 Å²	3	108 Å²	108	2%	0.019	54%	0.542	C	S	.	.			trans	-57	150.3	170	25.7	-35.2	0	0	0	109.4	Y138 R160 F205 T220	Y138-P218 HydrophobicContact CG-CB 4.41Å; R160-P218 VanDerWaalsContact NH1-CD 3.31Å; R160-P218 VanDerWaalsContact NH1-CG 3.27Å; F205-P218 HydrophobicContact CB-CB 4.36Å; F205-P218 HydrophobicContact CD1-CB 4.04Å; F205-P218 HydrophobicContact CD1-CG 4.43Å; F205-P218 HydrophobicContact CD2-CB 4.14Å; F205-P218 HydrophobicContact CE1-CB 4.38Å; F205-P218 VanDerWaalsContact CE1-N 3.33Å; F205-P218 HydrophobicContact CE2-CB 4.47Å; F205-P218 HydrophobicContact CG-CB 3.9Å; F205-P218 VanDerWaalsContact CZ-N 3.34Å; P218-T220 PolarHBondContact O-N 3.11Å
219	P	80.2	Confident	72.6	Confident	56 Å²	56	106.3 Å²	106.3	36%	0.364	54%	0.535	S	S	.	.			trans	-56.1	132.5	178.4	25	-34.3	0	0	0	109.9	Y138 V222	Y138-P219 HydrophobicContact CD1-CG 4.3Å; Y138-P219 HydrophobicContact CD2-CG 3.71Å; Y138-P219 HydrophobicContact CE1-CG 4Å; Y138-P219 HydrophobicContact CE2-CG 3.36Å; Y138-P219 HydrophobicContact CG-CG 4.15Å; P219-V222 HydrophobicContact CG-CG2 4.43Å; P219-V222 WeakPolarHBondContact O-CG2 3.26Å
220	T	68.2	Low	72.4	Confident	115 Å²	115	102 Å²	102	71%	0.706	52%	0.52	S	S	*	.	S	Bend	trans	-82.4	-28.1	-178.5	-46.7	0	0	0	0	111.7	P218 V222	P218-T220 PolarHBondContact O-N 3.11Å; T220-V222 VanDerWaalsContact C-N 3.34Å; T220-V222 PolarHBondContact O-N 3.45Å; T220-V222 VanDerWaalsContact O-N 3.09Å
221	N	63.8	Low	72.5	Confident	149 Å²	149	98.4 Å²	98.4	80%	0.797	50%	0.5	S	S	*	.			trans	-89.8	67	-175.2	-162.9	-5.4	0	0	0	111.7
222	V	63.6	Low	72.3	Confident	13 Å²	13	96.2 Å²	96.2	8%	0.079	49%	0.491	C	S	.	.			trans	-102.3	-12.6	-172.5	-163.9	0	0	0	0	113.4	T136 Y138 Y161 P219 T220 R224	T136-V222 WeakPolarHBondContact O-CG1 3.41Å; Y138-V222 HydrophobicContact CD2-CG1 4.01Å; Y138-V222 HydrophobicContact CD2-CG2 3.82Å; Y138-V222 HydrophobicContact CE2-CB 4.43Å; Y138-V222 HydrophobicContact CE2-CG1 3.71Å; Y138-V222 HydrophobicContact CE2-CG2 3.83Å; Y161-V222 HydrophobicContact CE1-CB 4.07Å; Y161-V222 HydrophobicContact CE1-CG2 3.78Å; P219-V222 HydrophobicContact CG-CG2 4.43Å; P219-V222 WeakPolarHBondContact O-CG2 3.26Å; T220-V222 VanDerWaalsContact C-N 3.34Å; T220-V222 PolarHBondContact O-N 3.45Å; T220-V222 VanDerWaalsContact O-N 3.09Å; V222-R224 PolarHBondContact O-N 3.41Å
223	F	66.7	Low	72.5	Confident	85 Å²	85	87.5 Å²	87.5	37%	0.373	46%	0.461	S	S	.	.	B	Isolated β-bridge	trans	-81.9	108.2	175.2	-56.1	-68.2	0	0	0	108.4	M135 Y161 F163	M135-F223 HydrophobicContact CB-CD1 4.16Å; M135-F223 HydrophobicContact CB-CE1 4.33Å; M135-F223 HydrophobicContact SD-CE1 4.19Å; Y161-F223 HydrophobicContact CD1-CE2 4.32Å; Y161-F223 AromaticContact CD1-CZ 3.94Å; Y161-F223 HydrophobicContact CD1-CZ 3.94Å; F163-F223 HydrophobicContact CE2-CE1 4.21Å; F163-F223 HydrophobicContact CE2-CZ 4.44Å; F163-F223 HydrophobicContact CZ-CE1 4.24Å
224	R	67.1	Low	72.2	Confident	179 Å²	179	87.6 Å²	87.6	68%	0.675	44%	0.444	S	S	*	.	P	Polyproline II helix	trans	-57.3	146.9	160.2	-65.8	-178.8	179.8	-176.9	0.7	107.9	V222 I226	V222-R224 PolarHBondContact O-N 3.41Å; R224-I226 WeakPolarHBondContact O-CG1 3.1Å; R224-I226 PolarHBondContact O-N 3Å; R224-I226 VanDerWaalsContact O-N 3.08Å
225	K	66.7	Low	71.4	Confident	216 Å²	216	83.8 Å²	83.8	94%	0.939	42%	0.424	S	S	*	.	P	Polyproline II helix	trans	-56	120.4	171.1	-72.1	-176.6	-179.6	179.7	0	108.2
226	I	66.5	Low	70.4	Confident	43 Å²	43	83 Å²	83	22%	0.221	42%	0.419	C	S	.	.	P	Polyproline II helix	trans	-92.5	128.2	179.3	-54.2	167.9	0	0	0	107.2	Q130 R131 N134 R224 I228	Q130-I226 HydrophobicContact CB-CG2 3.93Å; R131-I226 HydrophobicContact CB-CD1 3.97Å; R131-I226 HydrophobicContact CG-CD1 3.27Å; N134-I226 HydrophobicContact CB-CG1 4.18Å; R224-I226 WeakPolarHBondContact O-CG1 3.1Å; R224-I226 PolarHBondContact O-N 3Å; R224-I226 VanDerWaalsContact O-N 3.08Å; I226-I228 VanDerWaalsContact C-N 3.33Å; I226-I228 HydrophobicContact CB-CG1 4.27Å; I226-I228 HydrophobicContact CG2-CG1 3.72Å; I226-I228 PolarHBondContact O-N 3.44Å
227	K	64.7	Low	69	Low	142 Å²	142	90.3 Å²	90.3	62%	0.617	45%	0.451	S	S	*	.			trans	-79.9	87.5	161.9	-70.7	-166.6	171.8	-157.3	0	107.6	E229 D239	K227-E229 PolarHBondContact O-N 2.91Å; K227-D239 IonicContact NZ-OD1 3.44Å; K227-D239 PolarHBondContact NZ-OD1 3.17Å
228	I	67.2	Low	67.8	Low	54 Å²	54	88.2 Å²	88.2	28%	0.277	45%	0.448	S	S	.	.			trans	-72.7	123.7	168.6	-60.2	169.4	0	0	0	106	V127 I226 N230	V127-I228 HydrophobicContact CG1-CD1 3.77Å; V127-I228 HydrophobicContact CG2-CD1 4.17Å; V127-I228 HydrophobicContact CG2-CG2 4.12Å; I226-I228 VanDerWaalsContact C-N 3.33Å; I226-I228 HydrophobicContact CB-CG1 4.27Å; I226-I228 HydrophobicContact CG2-CG1 3.72Å; I226-I228 PolarHBondContact O-N 3.44Å; I228-N230 VanDerWaalsContact C-N 3.31Å; I228-N230 PolarHBondContact O-N 2.99Å
229	E	70	Confident	66.4	Low	94 Å²	94	91 Å²	91	44%	0.439	46%	0.463	S	S	.	.			trans	-67.6	93.3	173	-68.9	-173	-176.2	0	0	109.5	K227 W231	K227-E229 PolarHBondContact O-N 2.91Å; E229-W231 PolarHBondContact O-N 3.08Å; E229-W231 VanDerWaalsContact OE2-CZ2 3.24Å; E229-W231 WeakPolarHBondContact OE2-CZ2 3.48Å
230	N	74.8	Confident	65	Low	98 Å²	98	92.7 Å²	92.7	52%	0.524	47%	0.472	S	S	.	.			trans	-71.3	118.1	167.9	-69.9	-27.5	0	0	0	107.5	K88 I228 A233	K88-N230 PolarHBondContact NZ-O 3.35Å; I228-N230 VanDerWaalsContact C-N 3.31Å; I228-N230 PolarHBondContact O-N 2.99Å; N230-A233 HydrophobicContact CB-CB 3.98Å
231	W	76.7	Confident	63.7	Low	30 Å²	30	94.3 Å²	94.3	11%	0.114	48%	0.476	C	S	.	.	S	Bend	trans	-87.6	-15.3	177.8	-70.9	91.4	0	0	0	113.1	V72 L75 V84 H85 K88 L93 E229	V72-W231 HydrophobicContact CG1-CH2 4.4Å; V72-W231 HydrophobicContact CG1-CZ2 4.13Å; L75-W231 HydrophobicContact CD1-CD2 3.43Å; L75-W231 VanDerWaalsContact CD1-CD2 3.43Å; L75-W231 HydrophobicContact CD1-CE3 3.49Å; L75-W231 VanDerWaalsContact CD1-CE3 3.49Å; L75-W231 HydrophobicContact CD1-CG 4Å; L75-W231 HydrophobicContact CD1-CH2 4.06Å; L75-W231 HydrophobicContact CD1-CZ2 3.99Å; L75-W231 HydrophobicContact CD1-CZ3 3.82Å; L75-W231 HydrophobicContact CD2-CB 3.63Å; L75-W231 HydrophobicContact CD2-CD2 3.9Å; L75-W231 HydrophobicContact CD2-CE3 4.41Å; L75-W231 HydrophobicContact CD2-CG 3.53Å; L75-W231 HydrophobicContact CG-CB 4.28Å; L75-W231 HydrophobicContact CG-CD2 3.58Å; L75-W231 HydrophobicContact CG-CE3 4.15Å; L75-W231 HydrophobicContact CG-CG 3.61Å; L75-W231 HydrophobicContact CG-CZ2 4.45Å; V84-W231 HydrophobicContact CG1-CB 4.47Å; V84-W231 HydrophobicContact CG1-CE3 4.03Å; H85-W231 WeakPolarHBondContact CB-O 3.18Å; H85-W231 PolarHBondContact N-O 3.17Å; K88-W231 HydrophobicContact CD-CD2 3.91Å; K88-W231 HydrophobicContact CD-CE3 3.28Å; K88-W231 HydrophobicContact CD-CG 4.46Å; K88-W231 HydrophobicContact CD-CZ3 3.72Å; K88-W231 VanDerWaalsContact CE-CZ3 3.41Å; K88-W231 HydrophobicContact CG-CE3 3.76Å; K88-W231 HydrophobicContact CG-CZ3 3.79Å; L93-W231 HydrophobicContact CD1-CE3 4.34Å; L93-W231 HydrophobicContact CD1-CZ3 4.09Å; L93-W231 HydrophobicContact CD2-CH2 4.02Å; L93-W231 HydrophobicContact CD2-CZ3 3.77Å; L93-W231 HydrophobicContact CG-CZ3 3.9Å; E229-W231 PolarHBondContact O-N 3.08Å; E229-W231 VanDerWaalsContact OE2-CZ2 3.24Å; E229-W231 WeakPolarHBondContact OE2-CZ2 3.48Å
232	T	77.6	Confident	62.4	Low	77 Å²	77	93.4 Å²	93.4	47%	0.472	47%	0.469	S	S	.	.	S	Bend	trans	-95.9	-21.6	-179.2	50.1	0	0	0	0	113.5
233	A	75.1	Confident	60.7	Low	45 Å²	45	97.5 Å²	97.5	37%	0.372	50%	0.498	S	S	.	.	S	Bend	trans	-89.5	150.1	173.7	0	0	0	0	0	110.3	N230	N230-A233 HydrophobicContact CB-CB 3.98Å
234	D	67	Low	59.3	Low	78 Å²	78	102.6 Å²	102.6	42%	0.417	54%	0.54	S	S	.	.	P	Polyproline II helix	trans	-67.5	170.2	169.3	-149.9	-1.1	0	0	0	110.7	H85 N87 S236	H85-D234 IonicContact CE1-OD1 2.72Å; H85-D234 PolarHBondContact CE1-OD1 3.12Å; H85-D234 IonicContact CE1-OD2 2.86Å; H85-D234 PolarHBondContact CE1-OD2 3.19Å; H85-D234 IonicContact ND1-OD1 3.62Å; H85-D234 PolarHBondContact ND1-OD1 3.09Å; N87-D234 PolarHBondContact ND2-OD1 3.44Å; N87-D234 PolarHBondContact ND2-OD2 3.12Å; N87-D234 VanDerWaalsContact ND2-OD2 3.09Å; D234-S236 PolarHBondContact O-N 2.72Å
235	F	61.1	Low	58.9	Low	48 Å²	48	98.8 Å²	98.8	21%	0.211	53%	0.533	C	S	.	.	P	Polyproline II helix	trans	-52	129.2	172.8	-62.4	-77.3	0	0	0	110.4	Y92 D239	Y92-F235 HydrophobicContact CD2-CZ 4.12Å; Y92-F235 AromaticContact CE2-CE1 3.34Å; Y92-F235 HydrophobicContact CE2-CE1 3.34Å; Y92-F235 HydrophobicContact CE2-CE2 4.49Å; Y92-F235 AromaticContact CE2-CZ 3.18Å; Y92-F235 HydrophobicContact CE2-CZ 3.18Å; Y92-F235 AromaticContact CZ-CE1 3.68Å; Y92-F235 AromaticContact CZ-CZ 3.66Å; Y92-F235 WeakPolarHBondContact OH-CE1 3.37Å; Y92-F235 WeakPolarHBondContact OH-CZ 3.37Å; F235-D239 HydrophobicContact CD1-CB 4.31Å
236	S	56.7	Low	58.5	Low	55 Å²	55	92.6 Å²	92.6	39%	0.385	51%	0.512	S	S	.	.	P	Polyproline II helix	trans	-59.9	144	162.7	70.6	0	0	0	0	108.2	D234 T238 D239	D234-S236 PolarHBondContact O-N 2.72Å; S236-T238 PolarHBondContact O-N 3.2Å; S236-T238 PolarHBondContact OG-OG1 3.25Å; S236-D239 PolarHBondContact O-N 2.78Å; S236-D239 PolarHBondContact OG-OD2 3.49Å
237	E	53.6	Low	58	Low	179 Å²	179	95.4 Å²	95.4	84%	0.836	53%	0.528	S	S	*	.	G	3₁₀ helix	trans	-50.2	-27.2	178.2	-67.1	175.2	171.3	0	0	112.3	D239	E237-D239 PolarHBondContact O-N 3.1Å
238	T	54.9	Low	57.7	Low	93 Å²	93	92.6 Å²	92.6	57%	0.571	52%	0.523	S	S	*	.	G	3₁₀ helix	trans	-70.1	-25.1	178.2	63.9	0	0	0	0	115	S236	S236-T238 PolarHBondContact O-N 3.2Å; S236-T238 PolarHBondContact OG-OG1 3.25Å
239	D	52.4	Low	57.1	Low	62 Å²	62	95.1 Å²	95.1	33%	0.332	54%	0.538	S	S	.	.	G	3₁₀ helix	trans	-83	-15.1	-179.2	-62.3	-44.1	0	0	0	112.5	K227 F235 S236 E237 L241	K227-D239 IonicContact NZ-OD1 3.44Å; K227-D239 PolarHBondContact NZ-OD1 3.17Å; F235-D239 HydrophobicContact CD1-CB 4.31Å; S236-D239 PolarHBondContact O-N 2.78Å; S236-D239 PolarHBondContact OG-OD2 3.49Å; E237-D239 PolarHBondContact O-N 3.1Å; D239-L241 PolarHBondContact O-N 3.46Å
240	V	51.4	Low	56.2	Low	91 Å²	91	95.1 Å²	95.1	55%	0.552	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-24.1	174.1	-176.7	0	0	0	0	111.5	I242	V240-I242 VanDerWaalsContact C-N 3.31Å; V240-I242 PolarHBondContact O-N 2.95Å
241	L	40.7	Very low	54.9	Low	150 Å²	150	94.9 Å²	94.9	79%	0.785	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	7.2	-174.8	-65.6	178.5	0	0	0	114.9	D239 S243	D239-L241 PolarHBondContact O-N 3.46Å; L241-S243 PolarHBondContact O-N 3.47Å
242	I	35.4	Very low	53.2	Low	130 Å²	130	99.9 Å²	99.9	67%	0.667	58%	0.58	S	S	*	*			trans	-98.2	77.1	172.6	-50.3	172.4	0	0	0	108.9	V240	V240-I242 VanDerWaalsContact C-N 3.31Å; V240-I242 PolarHBondContact O-N 2.95Å
243	S	29.1	Very low	51.2	Low	98 Å²	98	101.8 Å²	101.8	69%	0.685	59%	0.589	S	S	*	*			trans	-145.5	105.3	154.7	60.3	0	0	0	0	108.7	L241	L241-S243 PolarHBondContact O-N 3.47Å
244	P	36.6	Very low	49	Very low	193 Å²	193	107 Å²	107	100%	1.253	61%	0.608	S	S	*	*			trans	-83.2	0	136.4	32.4	-25.3	0	0	0	110.3

Retrieved 244 of 244 residues in 446.8 ms (Link to these results)

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