A0A087WUV8_HUMAN Loading...

Basigin

AlphaFold DB , UniProt , Accession A0A087WUV8, Species HUMAN (Homo sapiens, Human), Gene BSG, Length 189 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	53.5	Low	49.5	Very low	247 Å²	247	123.7 Å²	123.7	100%	1.217	71%	0.713	S	S	*	*				0	60.5	0	-68.4	178.8	-99.7	0	0	111
2	A	50.4	Low	49.4	Very low	77 Å²	77	120.2 Å²	120.2	64%	0.636	71%	0.71	S	S	*	*			trans	-151	-15.7	179.5	0	0	0	0	0	114.9
3	A	46.3	Very low	49.5	Very low	89 Å²	89	123.2 Å²	123.2	74%	0.736	72%	0.72	S	S	*	*	S	Bend	trans	-86.4	-12.7	-177.1	0	0	0	0	0	114.6
4	A	49.4	Very low	49.8	Very low	81 Å²	81	124.3 Å²	124.3	67%	0.669	72%	0.72	S	S	*	*	S	Bend	trans	-87.3	-11.7	-175.4	0	0	0	0	0	114.3
5	L	49.2	Very low	49.7	Very low	128 Å²	128	119.7 Å²	119.7	67%	0.67	71%	0.71	S	S	*	*	S	Bend	trans	-89.3	-19.4	-174.9	-92.9	149.1	0	0	0	114.1
6	F	47.7	Very low	49.7	Very low	169 Å²	169	120.6 Å²	120.6	74%	0.741	72%	0.717	S	S	*	*	H	α-helix	trans	-86.5	-20.6	-178.1	-85	-79.4	0	0	0	114.5
7	V	52	Low	49.8	Very low	94 Å²	94	124.6 Å²	124.6	57%	0.57	73%	0.726	S	S	*	*	H	α-helix	trans	-74.5	-31.5	178.5	-176.7	0	0	0	0	111.2	F11	V7-F11 HydrophobicContact CG1-CE2 4.26Å; V7-F11 WeakPolarHBondContact O-CD2 3.23Å
8	L	49.2	Very low	50.1	Low	145 Å²	145	121.1 Å²	121.1	76%	0.759	72%	0.721	S	S	*	*	H	α-helix	trans	-77.5	-21.2	-178.7	-68.6	171.8	0	0	0	113.8
9	L	49.7	Very low	50.1	Low	127 Å²	127	120.2 Å²	120.2	67%	0.665	73%	0.728	S	S	*	*	H	α-helix	trans	-88	-17.2	175.1	-80	161.7	0	0	0	113.3
10	G	46.5	Very low	50.6	Low	49 Å²	49	118.4 Å²	118.4	51%	0.505	72%	0.721	S	S	.	*	H	α-helix	trans	-75.9	-21.2	177.8	0	0	0	0	0	114.7	A12	G10-A12 VanDerWaalsContact C-N 3.34Å
11	F	50.2	Low	51.4	Low	155 Å²	155	115.5 Å²	115.5	68%	0.68	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.5	1.3	-180	-81.5	-80.8	0	0	0	114.5	V7	V7-F11 HydrophobicContact CG1-CE2 4.26Å; V7-F11 WeakPolarHBondContact O-CD2 3.23Å
12	A	48.4	Very low	52.7	Low	81 Å²	81	107.1 Å²	107.1	67%	0.669	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.3	-4.6	177.4	0	0	0	0	0	114.1	G10	G10-A12 VanDerWaalsContact C-N 3.34Å
13	L	51.1	Low	54.6	Low	160 Å²	160	104.4 Å²	104.4	84%	0.838	67%	0.665	S	S	*	*	S	Bend	trans	-114.2	1.1	-177.8	-73.2	174.3	0	0	0	115.2	G15	L13-G15 VanDerWaalsContact C-N 3.27Å; L13-G15 PolarHBondContact O-N 3.22Å
14	L	53.7	Low	56.9	Low	138 Å²	138	104.6 Å²	104.6	72%	0.723	66%	0.658	S	S	*	*	S	Bend	trans	-79	90.7	160.2	-85.2	120.5	0	0	0	107.4	T16	L14-T16 PolarHBondContact O-N 3.49Å
15	G	47.6	Very low	59.1	Low	55 Å²	55	101 Å²	101	57%	0.567	63%	0.628	S	S	*	*			trans	-39.7	129.7	174.9	0	0	0	0	0	110.6	L13 H17	L13-G15 VanDerWaalsContact C-N 3.27Å; L13-G15 PolarHBondContact O-N 3.22Å; G15-H17 VanDerWaalsContact C-N 3.34Å; G15-H17 PolarHBondContact O-N 3.27Å
16	T	50.1	Low	61.4	Low	135 Å²	135	103.3 Å²	103.3	83%	0.828	63%	0.628	S	S	*	*			trans	-43.7	103	164.1	52.2	0	0	0	0	107.5	L14 G18	L14-T16 PolarHBondContact O-N 3.49Å; T16-G18 VanDerWaalsContact C-N 3.27Å; T16-G18 PolarHBondContact O-N 3.35Å
17	H	51.8	Low	63.8	Low	188 Å²	188	95.7 Å²	95.7	87%	0.87	60%	0.595	S	S	*	*			trans	-58.4	106.6	160	-87.5	66.1	0	0	0	103.8	G15 A19	G15-H17 VanDerWaalsContact C-N 3.34Å; G15-H17 PolarHBondContact O-N 3.27Å; H17-A19 PolarHBondContact O-N 2.87Å; H17-A19 VanDerWaalsContact O-N 3.14Å
18	G	54.3	Low	66	Low	61 Å²	61	97.7 Å²	97.7	63%	0.629	60%	0.596	S	S	*	*			trans	-46	124	-163.3	0	0	0	0	0	110	T16 S20	T16-G18 VanDerWaalsContact C-N 3.27Å; T16-G18 PolarHBondContact O-N 3.35Å; G18-S20 VanDerWaalsContact C-N 3.27Å; G18-S20 PolarHBondContact O-N 3.14Å
19	A	50.5	Low	68.3	Low	105 Å²	105	91.7 Å²	91.7	87%	0.868	57%	0.568	S	S	*	*			trans	-54.3	101.2	163.7	0	0	0	0	0	106.4	H17 G21	H17-A19 PolarHBondContact O-N 2.87Å; H17-A19 VanDerWaalsContact O-N 3.14Å; A19-G21 PolarHBondContact O-N 3.44Å
20	S	60.1	Low	70.6	Confident	84 Å²	84	89.2 Å²	89.2	59%	0.587	56%	0.557	S	S	*	*			trans	-74.3	83.8	174.7	-155	0	0	0	0	105.9	G18	G18-S20 VanDerWaalsContact C-N 3.27Å; G18-S20 PolarHBondContact O-N 3.14Å
21	G	67.6	Low	73.1	Confident	58 Å²	58	92.2 Å²	92.2	60%	0.598	56%	0.557	S	S	*	*			trans	-54.1	146.1	163.6	0	0	0	0	0	108.6	A19 G23	A19-G21 PolarHBondContact O-N 3.44Å; G21-G23 PolarHBondContact O-N 2.98Å; G21-G23 VanDerWaalsContact O-N 3.11Å
22	A	81.5	Confident	75.3	Confident	71 Å²	71	88.8 Å²	88.8	59%	0.587	55%	0.552	S	S	*	*	S	Bend	trans	-50.3	122.1	179.9	0	0	0	0	0	110.4	V51	A22-V51 WeakPolarHBondContact CA-O 3.44Å
23	G	89.6	Confident	77.7	Confident	19 Å²	19	86.9 Å²	86.9	20%	0.196	53%	0.534	C	S	.	.			trans	-155.3	178.6	-171.7	0	0	0	0	0	112.5	G21 V51 K111	G21-G23 PolarHBondContact O-N 2.98Å; G21-G23 VanDerWaalsContact O-N 3.11Å; G23-V51 PolarHBondContact N-O 3.33Å; G23-K111 WeakPolarHBondContact O-CB 3.37Å
24	P	94.4	Very high	79.9	Confident	93 Å²	93	81 Å²	81	60%	0.604	50%	0.502	S	S	*	.	S	Bend	trans	-54.8	147.8	174.7	-23.7	34	0	0	0	111.1
25	P	96.9	Very high	81.9	Confident	5 Å²	5	78.7 Å²	78.7	3%	0.032	49%	0.487	C	S	.	.			trans	-63.1	156.4	-179.4	29.1	-34.9	0	0	0	111.2	V54 G112 D114	P25-V54 HydrophobicContact CB-CG2 3.54Å; P25-V54 HydrophobicContact CG-CG2 4.41Å; P25-G112 WeakPolarHBondContact CD-O 3.21Å; P25-G112 VanDerWaalsContact CG-O 3.32Å; P25-G112 WeakPolarHBondContact CG-O 3.45Å; P25-D114 HydrophobicContact CG-CB 4.15Å; P25-D114 WeakPolarHBondContact O-CB 3.5Å
26	R	96.8	Very high	84.2	Confident	178 Å²	178	77.1 Å²	77.1	67%	0.672	47%	0.465	S	S	*	.			trans	-120.9	103.8	172.1	-64.4	-175.4	-180	-129.3	2.4	108.1	S48 S50 D114	R26-S48 WeakPolarHBondContact O-CA 3.43Å; R26-S48 VanDerWaalsContact O-CB 3.3Å; R26-S48 WeakPolarHBondContact O-CB 3.32Å; R26-S48 PolarHBondContact O-OG 3.46Å; R26-S50 PolarHBondContact N-OG 3.47Å; R26-D114 VanDerWaalsContact CA-OD2 3.29Å; R26-D114 WeakPolarHBondContact CA-OD2 3.08Å
27	V	98.1	Very high	86.4	Confident	9 Å²	9	73.8 Å²	73.8	6%	0.055	44%	0.443	C	S	.	.			trans	-96.5	134	-178.4	174.9	0	0	0	0	108.8	C46 V54 W57 D114 A116	V27-C46 HydrophobicContact CG1-CB 4.25Å; V27-V54 HydrophobicContact CG2-CG2 4.48Å; V27-W57 HydrophobicContact CG1-CH2 4.01Å; V27-W57 HydrophobicContact CG1-CZ3 3.7Å; V27-W57 HydrophobicContact CG2-CH2 4.1Å; V27-W57 HydrophobicContact CG2-CZ3 4.14Å; V27-D114 HydrophobicContact CB-CB 4.28Å; V27-D114 HydrophobicContact CG2-CB 4.09Å; V27-D114 WeakPolarHBondContact CG2-O 3.45Å; V27-D114 PolarHBondContact N-OD2 3.4Å; V27-A116 HydrophobicContact CG1-CB 4.04Å
28	K	98.1	Very high	88.5	Confident	136 Å²	136	68.1 Å²	68.1	59%	0.591	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.6	139.9	177.7	-66.2	-179.1	-179.4	178	0	110.1	C46 K47	K28-C46 CarbonylContact O-C 3.58Å; K28-C46 WeakPolarHBondContact O-CA 3.46Å; K28-K47 PolarHBondContact N-O 3.48Å; K28-K47 PolarHBondContact O-N 2.97Å
29	A	98.3	Very high	90.5	Very high	19 Å²	19	67.1 Å²	67.1	16%	0.157	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	138.5	164	0	0	0	0	0	109.9	K31 V45 A116 I118	A29-K31 VanDerWaalsContact C-N 3.32Å; A29-V45 WeakPolarHBondContact CA-O 3.34Å; A29-A116 HydrophobicContact CB-CB 4.34Å; A29-I118 HydrophobicContact CB-CD1 3.85Å; A29-I118 HydrophobicContact CB-CG1 3.49Å; A29-I118 VanDerWaalsContact CB-CG1 3.49Å
30	V	97.9	Very high	92.7	Very high	74 Å²	74	66.5 Å²	66.5	45%	0.448	39%	0.386	S	S	.	.	S	Bend	trans	-68.4	-38.4	171.8	175.1	0	0	0	0	110.2	V45 K47	V30-V45 HydrophobicContact CB-CB 4.06Å; V30-V45 HydrophobicContact CB-CG1 4.16Å; V30-V45 HydrophobicContact CG2-CB 3.93Å; V30-V45 HydrophobicContact CG2-CG1 3.48Å; V30-V45 VanDerWaalsContact CG2-CG1 3.48Å; V30-V45 PolarHBondContact N-O 3.14Å; V30-K47 HydrophobicContact CG2-CB 4.49Å; V30-K47 HydrophobicContact CG2-CD 4.24Å; V30-K47 HydrophobicContact CG2-CG 4.09Å
31	K	97.8	Very high	94.5	Very high	113 Å²	113	66 Å²	66	49%	0.491	38%	0.379	S	S	.	.			trans	-132.8	126.1	168.2	-72.1	168.6	170.9	-175.7	0	108.9	A29 S33 E34 I118	A29-K31 VanDerWaalsContact C-N 3.32Å; K31-S33 VanDerWaalsContact C-N 3.29Å; K31-S33 PolarHBondContact O-N 3.41Å; K31-E34 VanDerWaalsContact CD-CD 3.41Å; K31-E34 HydrophobicContact CD-CG 4.39Å; K31-E34 WeakPolarHBondContact CD-OE1 3.41Å; K31-E34 WeakPolarHBondContact CE-OE1 3.25Å; K31-E34 VanDerWaalsContact NZ-CD 3.28Å; K31-E34 IonicContact NZ-OE1 2.97Å; K31-E34 PolarHBondContact NZ-OE1 3.36Å; K31-E34 IonicContact NZ-OE2 3.31Å; K31-E34 PolarHBondContact NZ-OE2 3.48Å; K31-I118 WeakPolarHBondContact O-CG2 3.25Å
32	S	97.1	Very high	95.9	Very high	83 Å²	83	63.3 Å²	63.3	58%	0.58	35%	0.351	S	S	*	.	S	Bend	trans	-77	-15.8	-179.6	-56.2	0	0	0	0	113.5	I118 T119	S32-I118 WeakPolarHBondContact O-CA 3.35Å; S32-T119 PolarHBondContact O-N 2.97Å
33	S	97.6	Very high	96.7	Very high	41 Å²	41	64 Å²	64	29%	0.287	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	137.6	173.9	-170.8	0	0	0	0	111.5	K31 T119 R121	K31-S33 VanDerWaalsContact C-N 3.29Å; K31-S33 PolarHBondContact O-N 3.41Å; S33-T119 CarbonylContact C-O 3.58Å; S33-T119 WeakPolarHBondContact CA-O 3.12Å; S33-T119 PolarHBondContact OG-O 2.83Å; S33-T119 VanDerWaalsContact OG-O 3.12Å; S33-R121 PolarHBondContact OG-NH1 3.1Å
34	E	97.3	Very high	97.1	Very high	35 Å²	35	63.1 Å²	63.1	16%	0.164	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	141.3	176.3	-72.2	-77.4	-157	0	0	109.8	K31 I36 L44 T119 L120 R121	K31-E34 VanDerWaalsContact CD-CD 3.41Å; K31-E34 HydrophobicContact CD-CG 4.39Å; K31-E34 WeakPolarHBondContact CD-OE1 3.41Å; K31-E34 WeakPolarHBondContact CE-OE1 3.25Å; K31-E34 VanDerWaalsContact NZ-CD 3.28Å; K31-E34 IonicContact NZ-OE1 2.97Å; K31-E34 PolarHBondContact NZ-OE1 3.36Å; K31-E34 IonicContact NZ-OE2 3.31Å; K31-E34 PolarHBondContact NZ-OE2 3.48Å; E34-I36 HydrophobicContact CB-CD1 4.21Å; E34-I36 HydrophobicContact CB-CG1 4.33Å; E34-L44 HydrophobicContact CB-CD2 4.31Å; E34-L44 HydrophobicContact CG-CD2 4.09Å; E34-T119 PolarHBondContact N-O 2.95Å; E34-L120 HydrophobicContact CB-CD1 4.25Å; E34-R121 PolarHBondContact O-N 3.41Å
35	H	96.8	Very high	97.3	Very high	91 Å²	91	59.4 Å²	59.4	42%	0.421	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	113.5	176.8	-70.6	-106.9	0	0	0	108.3	R121	H35-R121 WeakPolarHBondContact CA-O 3.2Å; H35-R121 WeakPolarHBondContact CE1-CD 3.37Å; H35-R121 PolarHBondContact NE2-NH1 2.85Å; H35-R121 VanDerWaalsContact NE2-NH1 3.14Å
36	I	96.6	Very high	97.4	Very high	21 Å²	21	59.1 Å²	59.1	11%	0.108	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	148.5	-170.6	-53.2	-176.4	0	0	0	108.4	E34 E40 A42 L94 L120 R121 V122 R123	E34-I36 HydrophobicContact CB-CD1 4.21Å; E34-I36 HydrophobicContact CB-CG1 4.33Å; I36-E40 HydrophobicContact CG2-CB 3.69Å; I36-E40 VanDerWaalsContact CG2-OE2 3.24Å; I36-E40 WeakPolarHBondContact CG2-OE2 3.3Å; I36-A42 VanDerWaalsContact CD1-CA 3.48Å; I36-A42 HydrophobicContact CD1-CB 3.62Å; I36-L94 HydrophobicContact CB-CD1 3.69Å; I36-L94 HydrophobicContact CG2-CD1 3.39Å; I36-L120 HydrophobicContact CD1-CD1 4.19Å; I36-L120 HydrophobicContact CG1-CD1 4.38Å; I36-R121 PolarHBondContact N-O 2.87Å; I36-V122 CarbonylContact O-C 3.55Å; I36-V122 VanDerWaalsContact O-CA 3.26Å; I36-V122 WeakPolarHBondContact O-CA 3.28Å; I36-R123 PolarHBondContact O-N 3.39Å
37	N	95.8	Very high	97.5	Very high	66 Å²	66	54.4 Å²	54.4	35%	0.353	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	155.8	-179.8	-53.8	-51.6	0	0	0	111	E40	N37-E40 HydrophobicContact CB-CG 4.24Å; N37-E40 PolarHBondContact N-OE2 2.92Å; N37-E40 PolarHBondContact ND2-OE1 3.49Å; N37-E40 WeakPolarHBondContact O-CB 3.41Å; N37-E40 PolarHBondContact O-N 2.89Å
38	E	96.3	Very high	97.4	Very high	68 Å²	68	54.5 Å²	54.5	32%	0.318	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	141.1	169.9	-173.9	176.5	-152	0	0	111.3	E40 L94 M96 V122 R123	E38-E40 PolarHBondContact O-N 3.39Å; E38-L94 WeakPolarHBondContact CG-O 3.29Å; E38-M96 HydrophobicContact CB-CG 4.01Å; E38-M96 HydrophobicContact CG-CG 3.99Å; E38-V122 HydrophobicContact CB-CG1 4.07Å; E38-R123 PolarHBondContact N-O 3.2Å
39	G	95.4	Very high	97.3	Very high	41 Å²	41	55.5 Å²	55.5	42%	0.423	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.1	-15.2	-178.1	0	0	0	0	0	115.5	L94	G39-L94 PolarHBondContact N-O 3.47Å
40	E	96.7	Very high	97.1	Very high	92 Å²	92	55.3 Å²	55.3	43%	0.43	30%	0.297	S	S	.	.	S	Bend	trans	-76.9	175.8	172.7	-66.9	174.8	178	0	0	111.4	I36 N37 E38 N93 L94	I36-E40 HydrophobicContact CG2-CB 3.69Å; I36-E40 VanDerWaalsContact CG2-OE2 3.24Å; I36-E40 WeakPolarHBondContact CG2-OE2 3.3Å; N37-E40 HydrophobicContact CB-CG 4.24Å; N37-E40 PolarHBondContact N-OE2 2.92Å; N37-E40 PolarHBondContact ND2-OE1 3.49Å; N37-E40 WeakPolarHBondContact O-CB 3.41Å; N37-E40 PolarHBondContact O-N 2.89Å; E38-E40 PolarHBondContact O-N 3.39Å; E40-N93 PolarHBondContact O-N 3.3Å; E40-L94 VanDerWaalsContact O-CG 3.3Å; E40-L94 WeakPolarHBondContact O-CG 3.39Å; E40-L94 PolarHBondContact O-N 3.44Å
41	T	97.6	Very high	96.9	Very high	74 Å²	74	56 Å²	56	45%	0.454	30%	0.301	S	S	.	.			trans	-103.5	125.4	176.3	-60.8	0	0	0	0	110.5	I91 E92	T41-I91 CarbonylContact C-O 3.56Å; T41-I91 VanDerWaalsContact CA-O 3.3Å; T41-I91 WeakPolarHBondContact CA-O 3.27Å; T41-E92 HydrophobicContact CG2-CG 4.09Å
42	A	98	Very high	96.8	Very high	0 Å²	0	52 Å²	52	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	141.5	170.4	0	0	0	0	0	111.6	I36 H90 I91 L94 L120	I36-A42 VanDerWaalsContact CD1-CA 3.48Å; I36-A42 HydrophobicContact CD1-CB 3.62Å; A42-H90 CarbonylContact O-C 3.46Å; A42-H90 VanDerWaalsContact O-CA 3.25Å; A42-H90 WeakPolarHBondContact O-CA 3.2Å; A42-I91 HydrophobicContact CB-CB 4.18Å; A42-I91 HydrophobicContact CB-CG1 4.48Å; A42-I91 PolarHBondContact N-O 3.38Å; A42-I91 PolarHBondContact O-N 2.94Å; A42-L94 HydrophobicContact CB-CD1 4.04Å; A42-L94 HydrophobicContact CB-CD2 3.98Å; A42-L94 HydrophobicContact CB-CG 4.36Å; A42-L120 HydrophobicContact CB-CD1 4.04Å; A42-L120 HydrophobicContact CB-CD2 4.16Å
43	M	98.1	Very high	96.7	Very high	86 Å²	86	50.4 Å²	50.4	42%	0.424	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	103.6	170.6	-178	178.8	62.2	0	0	109.4	V45 L89	M43-V45 HydrophobicContact CG-CG2 4.01Å; M43-L89 WeakPolarHBondContact CA-O 3.26Å
44	L	98.5	Very high	96.7	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.005	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	133.5	178.4	-48.8	-172.3	0	0	0	109.3	E34 W59 E88 L89 I91 Y103 I118 L120	E34-L44 HydrophobicContact CB-CD2 4.31Å; E34-L44 HydrophobicContact CG-CD2 4.09Å; L44-W59 HydrophobicContact CB-CH2 3.82Å; L44-W59 HydrophobicContact CB-CZ3 3.9Å; L44-W59 HydrophobicContact CD1-CZ3 4.48Å; L44-W59 WeakPolarHBondContact O-CH2 3.39Å; L44-E88 CarbonylContact O-C 3.6Å; L44-E88 WeakPolarHBondContact O-CA 3.32Å; L44-L89 HydrophobicContact CB-CB 4.39Å; L44-L89 HydrophobicContact CD1-CD2 4.28Å; L44-L89 PolarHBondContact N-O 2.81Å; L44-L89 PolarHBondContact O-N 2.83Å; L44-I91 HydrophobicContact CD1-CD1 4.38Å; L44-Y103 HydrophobicContact CD1-CD1 4.12Å; L44-Y103 HydrophobicContact CD1-CD2 3.8Å; L44-Y103 HydrophobicContact CD1-CG 3.56Å; L44-I118 HydrophobicContact CB-CD1 3.95Å; L44-I118 HydrophobicContact CD1-CG2 4.37Å; L44-I118 HydrophobicContact CD2-CG2 3.99Å; L44-L120 HydrophobicContact CD2-CD1 4.48Å
45	V	98.5	Very high	96.7	Very high	14 Å²	14	50.6 Å²	50.6	9%	0.085	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	129.8	-170.2	-175.1	0	0	0	0	111.6	A29 V30 M43 R86 S87 E88	A29-V45 WeakPolarHBondContact CA-O 3.34Å; V30-V45 HydrophobicContact CB-CB 4.06Å; V30-V45 HydrophobicContact CB-CG1 4.16Å; V30-V45 HydrophobicContact CG2-CB 3.93Å; V30-V45 HydrophobicContact CG2-CG1 3.48Å; V30-V45 VanDerWaalsContact CG2-CG1 3.48Å; V30-V45 PolarHBondContact N-O 3.14Å; M43-V45 HydrophobicContact CG-CG2 4.01Å; V45-R86 HydrophobicContact CG1-CG 4.4Å; V45-R86 VanDerWaalsContact CG1-CZ 3.42Å; V45-S87 WeakPolarHBondContact CA-O 3.44Å; V45-E88 HydrophobicContact CG1-CG 4.14Å; V45-E88 HydrophobicContact CG2-CG 4.06Å
46	C	98.6	Very high	96.7	Very high	0 Å²	0	51 Å²	51	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	147.5	169.7	-69.8	0	0	0	0	111.7	V27 K28 W57 W59 R86 S87 C105	V27-C46 HydrophobicContact CG1-CB 4.25Å; K28-C46 CarbonylContact O-C 3.58Å; K28-C46 WeakPolarHBondContact O-CA 3.46Å; C46-W57 HydrophobicContact CB-CH2 4.22Å; C46-W57 HydrophobicContact CB-CZ3 3.78Å; C46-W59 HydrophobicContact CB-CH2 4.43Å; C46-W59 HydrophobicContact CB-CZ2 4.31Å; C46-R86 WeakPolarHBondContact O-CA 3.3Å; C46-S87 PolarHBondContact N-O 2.97Å; C46-S87 PolarHBondContact O-N 3.44Å; C46-C105 HydrophobicContact CB-CB 3.7Å; C46-C105 WeakPolarHBondContact CB-SG 3.29Å; C46-C105 WeakPolarHBondContact SG-CB 3.33Å; C46-C105 CovalentContact SG-SG 2.01Å; C46-C105 PolarHBondContact SG-SG 2.98Å
47	K	98.1	Very high	96.8	Very high	79 Å²	79	51.5 Å²	51.5	34%	0.343	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	155.7	176.6	68.2	168.2	-172.3	155.6	0	112.6	K28 V30 E49 G85	K28-K47 PolarHBondContact N-O 3.48Å; K28-K47 PolarHBondContact O-N 2.97Å; V30-K47 HydrophobicContact CG2-CB 4.49Å; V30-K47 HydrophobicContact CG2-CD 4.24Å; V30-K47 HydrophobicContact CG2-CG 4.09Å; K47-E49 IonicContact NZ-OE1 3.15Å; K47-E49 PolarHBondContact NZ-OE1 3.02Å; K47-G85 CarbonylContact C-O 3.55Å; K47-G85 WeakPolarHBondContact CA-O 3.28Å
48	S	97.4	Very high	96.9	Very high	10 Å²	10	49.6 Å²	49.6	7%	0.07	28%	0.276	C	S	.	.			trans	-144.1	131	171.1	-168.7	0	0	0	0	110.4	R26 S50 G85	R26-S48 WeakPolarHBondContact O-CA 3.43Å; R26-S48 VanDerWaalsContact O-CB 3.3Å; R26-S48 WeakPolarHBondContact O-CB 3.32Å; R26-S48 PolarHBondContact O-OG 3.46Å; S48-S50 PolarHBondContact OG-N 3.48Å; S48-S50 PolarHBondContact OG-OG 3.39Å; S48-G85 PolarHBondContact N-O 2.94Å; S48-G85 VanDerWaalsContact O-CA 3.3Å; S48-G85 WeakPolarHBondContact O-CA 3.19Å
49	E	95.8	Very high	97	Very high	158 Å²	158	46.4 Å²	46.4	74%	0.738	26%	0.261	S	S	*	.			trans	-106.4	23.1	176.6	-66.2	165	-154.7	0	0	110.8	K47	K47-E49 IonicContact NZ-OE1 3.15Å; K47-E49 PolarHBondContact NZ-OE1 3.02Å
50	S	93.7	Very high	97.1	Very high	14 Å²	14	47.5 Å²	47.5	10%	0.098	25%	0.253	C	S	.	.			trans	-79.7	155	-173.5	-52.6	0	0	0	0	112	R26 S48 P52 P53	R26-S50 PolarHBondContact N-OG 3.47Å; S48-S50 PolarHBondContact OG-N 3.48Å; S48-S50 PolarHBondContact OG-OG 3.39Å; S50-P52 CarbonylContact O-C 3.44Å; S50-P52 VanDerWaalsContact O-C 3.31Å; S50-P53 VanDerWaalsContact O-CA 3.28Å; S50-P53 WeakPolarHBondContact O-CA 3.47Å
51	V	94.4	Very high	97.1	Very high	88 Å²	88	44.6 Å²	44.6	53%	0.533	24%	0.239	S	C	.	.	S	Bend	trans	-119	122.9	174.8	-177.4	0	0	0	0	108.4	A22 G23	A22-V51 WeakPolarHBondContact CA-O 3.44Å; G23-V51 PolarHBondContact N-O 3.33Å
52	P	94.7	Very high	97.1	Very high	29 Å²	29	42.9 Å²	42.9	19%	0.188	23%	0.226	C	C	.	.	S	Bend	cis	-67.2	151.6	-1.9	-18.9	34.7	0	0	0	113.3	S50 S109 S110 K111	S50-P52 CarbonylContact O-C 3.44Å; S50-P52 VanDerWaalsContact O-C 3.31Å; P52-S109 PolarHBondContact O-OG 2.99Å; P52-S110 WeakPolarHBondContact CG-OG 3.06Å; P52-K111 VanDerWaalsContact CD-CG 3.41Å; P52-K111 HydrophobicContact CG-CG 3.87Å
53	P	95.8	Very high	96.9	Very high	50 Å²	50	45.6 Å²	45.6	33%	0.325	24%	0.243	S	C	.	.	P	Polyproline II helix	trans	-66.4	151.5	-174.9	28.9	-35.9	0	0	0	112.4	S50 T55 Q84 S109	S50-P53 VanDerWaalsContact O-CA 3.28Å; S50-P53 WeakPolarHBondContact O-CA 3.47Å; P53-T55 PolarHBondContact O-N 3.33Å; P53-Q84 HydrophobicContact CB-CG 3.55Å; P53-Q84 HydrophobicContact CG-CG 4.02Å; P53-S109 PolarHBondContact O-OG 2.94Å
54	V	97.8	Very high	96.4	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-70.2	124.4	172.5	174	0	0	0	0	109.3	P25 V27 D56 W57 G85 T108	P25-V54 HydrophobicContact CB-CG2 3.54Å; P25-V54 HydrophobicContact CG-CG2 4.41Å; V27-V54 HydrophobicContact CG2-CG2 4.48Å; V54-D56 WeakPolarHBondContact CG1-O 3.35Å; V54-W57 HydrophobicContact CB-CZ2 3.99Å; V54-W57 HydrophobicContact CG1-CD2 3.92Å; V54-W57 VanDerWaalsContact CG1-CE2 3.41Å; V54-W57 HydrophobicContact CG1-CE3 4.49Å; V54-W57 HydrophobicContact CG1-CG 4.4Å; V54-W57 HydrophobicContact CG1-CH2 4.18Å; V54-W57 HydrophobicContact CG1-CZ2 3.56Å; V54-G85 PolarHBondContact O-N 3.03Å; V54-T108 WeakPolarHBondContact CA-O 3.39Å; V54-T108 WeakPolarHBondContact CG1-O 3.4Å
55	T	96.4	Very high	95.8	Very high	80 Å²	80	55.6 Å²	55.6	49%	0.491	31%	0.307	S	S	.	.			trans	-105.5	-33.3	-179.4	46.7	0	0	0	0	112.3	P53 T108	P53-T55 PolarHBondContact O-N 3.33Å; T55-T108 PolarHBondContact N-O 2.79Å
56	D	97.6	Very high	95.5	Very high	99 Å²	99	62.3 Å²	62.3	53%	0.529	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	133.5	-172.9	-57.1	-79.1	0	0	0	110.2	V54 G107 T108	V54-D56 WeakPolarHBondContact CG1-O 3.35Å; D56-G107 WeakPolarHBondContact O-CA 3.33Å; D56-T108 PolarHBondContact N-O 3.43Å; D56-T108 PolarHBondContact O-N 2.71Å
57	W	98.3	Very high	95.2	Very high	32 Å²	32	64.7 Å²	64.7	12%	0.121	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	135.8	-177.4	-69.4	97.4	0	0	0	110.2	V27 C46 V54 S82 S83 S87 N106	V27-W57 HydrophobicContact CG1-CH2 4.01Å; V27-W57 HydrophobicContact CG1-CZ3 3.7Å; V27-W57 HydrophobicContact CG2-CH2 4.1Å; V27-W57 HydrophobicContact CG2-CZ3 4.14Å; C46-W57 HydrophobicContact CB-CH2 4.22Å; C46-W57 HydrophobicContact CB-CZ3 3.78Å; V54-W57 HydrophobicContact CB-CZ2 3.99Å; V54-W57 HydrophobicContact CG1-CD2 3.92Å; V54-W57 VanDerWaalsContact CG1-CE2 3.41Å; V54-W57 HydrophobicContact CG1-CE3 4.49Å; V54-W57 HydrophobicContact CG1-CG 4.4Å; V54-W57 HydrophobicContact CG1-CH2 4.18Å; V54-W57 HydrophobicContact CG1-CZ2 3.56Å; W57-S82 WeakPolarHBondContact CB-OG 3.41Å; W57-S83 PolarHBondContact NE1-O 3.43Å; W57-S87 VanDerWaalsContact CD2-CB 3.4Å; W57-S87 VanDerWaalsContact CG-CB 3.43Å; W57-N106 WeakPolarHBondContact CA-O 3.5Å
58	A	97.9	Very high	95	Very high	26 Å²	26	65.4 Å²	65.4	22%	0.215	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	141.5	172.4	0	0	0	0	0	110.2	Y60 C105 N106	A58-Y60 HydrophobicContact CB-CE2 3.56Å; A58-Y60 WeakPolarHBondContact CB-OH 3.42Å; A58-C105 WeakPolarHBondContact O-CA 2.98Å; A58-N106 PolarHBondContact N-O 2.87Å; A58-N106 PolarHBondContact O-N 2.95Å
59	W	98.3	Very high	94.9	Very high	1 Å²	1	67 Å²	67	0%	0.004	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	142.1	177.4	-76.3	89.8	0	0	0	110.5	L44 C46 L70 V80 S87 L89 R104 C105 I118	L44-W59 HydrophobicContact CB-CH2 3.82Å; L44-W59 HydrophobicContact CB-CZ3 3.9Å; L44-W59 HydrophobicContact CD1-CZ3 4.48Å; L44-W59 WeakPolarHBondContact O-CH2 3.39Å; C46-W59 HydrophobicContact CB-CH2 4.43Å; C46-W59 HydrophobicContact CB-CZ2 4.31Å; W59-L70 HydrophobicContact CB-CB 4.11Å; W59-L70 PolarHBondContact O-N 2.83Å; W59-V80 HydrophobicContact CB-CG2 4.5Å; W59-V80 HydrophobicContact CG-CG2 4.45Å; W59-S87 PolarHBondContact NE1-OG 2.78Å; W59-L89 HydrophobicContact CB-CD2 4.34Å; W59-L89 HydrophobicContact CD2-CB 3.57Å; W59-L89 HydrophobicContact CD2-CD2 3.99Å; W59-L89 HydrophobicContact CD2-CG 4.34Å; W59-L89 HydrophobicContact CE3-CB 3.78Å; W59-L89 HydrophobicContact CE3-CD2 3.62Å; W59-L89 HydrophobicContact CE3-CG 4.35Å; W59-L89 HydrophobicContact CG-CB 4.04Å; W59-L89 HydrophobicContact CG-CD2 4.32Å; W59-L89 HydrophobicContact CH2-CB 4.11Å; W59-L89 HydrophobicContact CZ2-CB 3.93Å; W59-L89 HydrophobicContact CZ3-CB 4.05Å; W59-L89 HydrophobicContact CZ3-CD2 4.2Å; W59-R104 CarbonylContact C-O 3.54Å; W59-R104 WeakPolarHBondContact CA-O 3.25Å; W59-C105 HydrophobicContact CD2-CB 3.97Å; W59-C105 HydrophobicContact CE3-CB 3.9Å; W59-C105 HydrophobicContact CH2-CB 3.81Å; W59-C105 HydrophobicContact CZ2-CB 3.86Å; W59-C105 HydrophobicContact CZ3-CB 3.82Å; W59-I118 HydrophobicContact CH2-CD1 3.92Å; W59-I118 HydrophobicContact CZ3-CD1 4.12Å
60	Y	97.7	Very high	94.9	Very high	65 Å²	65	59.6 Å²	59.6	26%	0.255	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	146.2	178.9	-53	-95.1	0	0	0	110.1	A58 D67 K68 A69 Y103 R104 N106	A58-Y60 HydrophobicContact CB-CE2 3.56Å; A58-Y60 WeakPolarHBondContact CB-OH 3.42Å; Y60-D67 HydrophobicContact CD1-CB 4.22Å; Y60-D67 HydrophobicContact CG-CB 4.43Å; Y60-K68 CarbonylContact C-O 3.56Å; Y60-K68 VanDerWaalsContact CA-O 3.28Å; Y60-K68 WeakPolarHBondContact CA-O 3.39Å; Y60-A69 HydrophobicContact CD1-CB 3.95Å; Y60-A69 HydrophobicContact CE1-CB 3.88Å; Y60-Y103 CarbonylContact O-C 3.58Å; Y60-Y103 WeakPolarHBondContact O-CA 3.37Å; Y60-R104 PolarHBondContact N-O 3Å; Y60-R104 PolarHBondContact O-N 3.14Å; Y60-N106 HydrophobicContact CE2-CB 4.08Å
61	K	96.9	Very high	94.9	Very high	30 Å²	30	64 Å²	64	13%	0.13	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	122.7	163.5	-176.5	175.4	177.9	-176.1	0	108.6	T63 D67 K68 L70 A98 Y103	K61-T63 PolarHBondContact O-N 3.24Å; K61-D67 CarbonylContact O-C 3.59Å; K61-D67 WeakPolarHBondContact O-CA 3.43Å; K61-K68 HydrophobicContact CB-CB 4.42Å; K61-K68 PolarHBondContact N-O 2.96Å; K61-K68 PolarHBondContact O-N 3.49Å; K61-L70 HydrophobicContact CB-CD1 4.24Å; K61-L70 HydrophobicContact CB-CD2 4.43Å; K61-L70 HydrophobicContact CB-CG 4.46Å; K61-A98 VanDerWaalsContact CE-O 3.31Å; K61-A98 WeakPolarHBondContact CE-O 3.32Å; K61-A98 PolarHBondContact NZ-O 2.89Å; K61-Y103 HydrophobicContact CB-CD1 4.26Å; K61-Y103 HydrophobicContact CB-CE1 4.05Å; K61-Y103 HydrophobicContact CD-CE1 4.15Å; K61-Y103 HydrophobicContact CG-CD1 4.48Å; K61-Y103 HydrophobicContact CG-CE1 4.01Å
62	I	96.8	Very high	94.8	Very high	38 Å²	38	65 Å²	65	20%	0.195	36%	0.356	C	S	.	.			trans	-75.4	126.8	-180	-53	-177.9	0	0	0	108	D67 Q102 R104 I117	I62-D67 WeakPolarHBondContact CA-OD1 3.35Å; I62-Q102 HydrophobicContact CB-CB 4.14Å; I62-Q102 WeakPolarHBondContact CB-O 3.25Å; I62-Q102 HydrophobicContact CD1-CB 3.76Å; I62-Q102 HydrophobicContact CG1-CB 4.21Å; I62-Q102 WeakPolarHBondContact CG1-O 3.49Å; I62-Q102 PolarHBondContact N-O 3Å; I62-R104 HydrophobicContact CD1-CB 4.15Å; I62-R104 HydrophobicContact CG1-CB 4.1Å; I62-R104 VanDerWaalsContact CG1-NH2 3.34Å; I62-I117 HydrophobicContact CD1-CD1 4.15Å; I62-I117 HydrophobicContact CD1-CG1 4.23Å; I62-I117 HydrophobicContact CD1-CG2 4.05Å
63	T	93.6	Very high	94.5	Very high	57 Å²	57	65.4 Å²	65.4	35%	0.35	36%	0.364	S	S	.	.			trans	-129.2	164.5	171.9	79.8	0	0	0	0	109.6	K61 S65 E66	K61-T63 PolarHBondContact O-N 3.24Å; T63-S65 PolarHBondContact O-N 3.12Å; T63-E66 PolarHBondContact OG1-N 3.4Å; T63-E66 PolarHBondContact OG1-O 3.01Å
64	D	87.2	Confident	94.1	Very high	183 Å²	183	64.7 Å²	64.7	98%	0.979	36%	0.36	S	S	*	.	S	Bend	trans	-64.9	-25.4	-175.7	-63.4	-33.2	0	0	0	113.5
65	S	86.9	Confident	93.8	Very high	114 Å²	114	69.3 Å²	69.3	80%	0.797	38%	0.382	S	S	*	.	S	Bend	trans	-93.9	-57.6	179.6	57.4	0	0	0	0	112.4	T63	T63-S65 PolarHBondContact O-N 3.12Å
66	E	90.8	Very high	93.6	Very high	155 Å²	155	70.4 Å²	70.4	72%	0.724	39%	0.393	S	S	*	.			trans	-153.8	143	-175.2	-170.3	176	-174.7	0	0	111.2	T63 K68	T63-E66 PolarHBondContact OG1-N 3.4Å; T63-E66 PolarHBondContact OG1-O 3.01Å; E66-K68 PolarHBondContact O-N 3.3Å
67	D	92.3	Very high	93.6	Very high	51 Å²	51	67.6 Å²	67.6	27%	0.273	38%	0.375	S	S	.	.			trans	-65.7	115.6	176.1	-80.7	6	0	0	0	110.8	Y60 K61 I62 A69 R104	Y60-D67 HydrophobicContact CD1-CB 4.22Å; Y60-D67 HydrophobicContact CG-CB 4.43Å; K61-D67 CarbonylContact O-C 3.59Å; K61-D67 WeakPolarHBondContact O-CA 3.43Å; I62-D67 WeakPolarHBondContact CA-OD1 3.35Å; D67-A69 PolarHBondContact O-N 3.47Å; D67-R104 IonicContact OD1-NH2 2.89Å; D67-R104 PolarHBondContact OD1-NH2 2.84Å; D67-R104 IonicContact OD2-CZ 3.82Å; D67-R104 IonicContact OD2-NE 3.46Å; D67-R104 PolarHBondContact OD2-NE 2.87Å; D67-R104 IonicContact OD2-NH2 3.99Å; D67-R104 PolarHBondContact OD2-NH2 3.12Å
68	K	94.6	Very high	93.5	Very high	94 Å²	94	66.2 Å²	66.2	41%	0.409	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	115.9	177.5	-177.5	-178.2	-179.7	179.8	0	109.9	Y60 K61 E66 E75	Y60-K68 CarbonylContact C-O 3.56Å; Y60-K68 VanDerWaalsContact CA-O 3.28Å; Y60-K68 WeakPolarHBondContact CA-O 3.39Å; K61-K68 HydrophobicContact CB-CB 4.42Å; K61-K68 PolarHBondContact N-O 2.96Å; K61-K68 PolarHBondContact O-N 3.49Å; E66-K68 PolarHBondContact O-N 3.3Å; K68-E75 IonicContact NZ-OE1 2.72Å; K68-E75 PolarHBondContact NZ-OE1 3.48Å
69	A	95.6	Very high	93.5	Very high	43 Å²	43	68.3 Å²	68.3	36%	0.355	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	132.2	175.8	0	0	0	0	0	111.6	Y60 D67 M71	Y60-A69 HydrophobicContact CD1-CB 3.95Å; Y60-A69 HydrophobicContact CE1-CB 3.88Å; D67-A69 PolarHBondContact O-N 3.47Å; A69-M71 HydrophobicContact CB-CE 3.61Å
70	L	96.1	Very high	93.5	Very high	3 Å²	3	69.7 Å²	69.7	2%	0.016	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	109.2	-179.7	-59.9	176.5	0	0	0	109.3	W59 K61 F78 L89 Y103	W59-L70 HydrophobicContact CB-CB 4.11Å; W59-L70 PolarHBondContact O-N 2.83Å; K61-L70 HydrophobicContact CB-CD1 4.24Å; K61-L70 HydrophobicContact CB-CD2 4.43Å; K61-L70 HydrophobicContact CB-CG 4.46Å; L70-F78 HydrophobicContact CD1-CD1 4.27Å; L70-F78 HydrophobicContact CD1-CE1 4.27Å; L70-F78 HydrophobicContact CD2-CD1 4.09Å; L70-F78 HydrophobicContact CD2-CD2 4.28Å; L70-F78 HydrophobicContact CD2-CE1 4Å; L70-F78 HydrophobicContact CD2-CE2 4.18Å; L70-F78 HydrophobicContact CD2-CG 4.23Å; L70-F78 HydrophobicContact CD2-CZ 4.04Å; L70-L89 HydrophobicContact CD1-CD1 4.29Å; L70-L89 HydrophobicContact CD1-CD2 3.56Å; L70-Y103 HydrophobicContact CD1-CD1 3.74Å; L70-Y103 HydrophobicContact CD1-CE1 3.8Å
71	M	92.6	Very high	93.4	Very high	107 Å²	107	70 Å²	70	53%	0.527	39%	0.394	S	S	.	.			trans	-97.6	155	178.9	-61.3	-60.8	130.2	0	0	111	A69 G73 S74	A69-M71 HydrophobicContact CB-CE 3.61Å; M71-G73 PolarHBondContact O-N 3.33Å; M71-S74 WeakPolarHBondContact O-CB 3.4Å; M71-S74 PolarHBondContact O-N 3.48Å
72	N	93.1	Very high	93.4	Very high	109 Å²	109	71.3 Å²	71.3	58%	0.583	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	126.4	175.3	-173.3	30.2	0	0	0	110.9	S74 V80	N72-S74 VanDerWaalsContact C-N 3.3Å; N72-V80 HydrophobicContact CB-CB 4.43Å; N72-V80 PolarHBondContact OD1-N 3.4Å
73	G	87.4	Confident	93.3	Very high	36 Å²	36	72.5 Å²	72.5	37%	0.371	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.2	5.4	-175.7	0	0	0	0	0	114.6	M71 E75 S76 F78	M71-G73 PolarHBondContact O-N 3.33Å; G73-E75 PolarHBondContact O-N 2.96Å; G73-S76 PolarHBondContact O-N 3.07Å; G73-S76 VanDerWaalsContact O-N 3.14Å; G73-F78 WeakPolarHBondContact CA-O 3.24Å; G73-F78 PolarHBondContact N-O 3.08Å
74	S	89.3	Confident	93.4	Very high	35 Å²	35	76.5 Å²	76.5	25%	0.245	43%	0.434	C	S	.	.	B	Isolated β-bridge	trans	-60.8	136.6	176.8	-170.6	0	0	0	0	110.6	M71 N72 S76 R77 F78	M71-S74 WeakPolarHBondContact O-CB 3.4Å; M71-S74 PolarHBondContact O-N 3.48Å; N72-S74 VanDerWaalsContact C-N 3.3Å; S74-S76 PolarHBondContact O-N 2.95Å; S74-R77 PolarHBondContact O-N 3Å; S74-R77 VanDerWaalsContact O-N 3.15Å; S74-F78 PolarHBondContact N-O 3.32Å; S74-F78 WeakPolarHBondContact O-CD2 3.45Å; S74-F78 PolarHBondContact O-N 3.27Å
75	E	89.9	Confident	93.8	Very high	98 Å²	98	68.3 Å²	68.3	46%	0.458	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.3	18	-175.7	-62.9	176.7	-161.5	0	0	114.4	K68 G73 R77 F78	K68-E75 IonicContact NZ-OE1 2.72Å; K68-E75 PolarHBondContact NZ-OE1 3.48Å; G73-E75 PolarHBondContact O-N 2.96Å; E75-R77 HydrophobicContact CB-CG 4.02Å; E75-R77 PolarHBondContact O-N 3.21Å; E75-R77 VanDerWaalsContact O-N 3.14Å; E75-R77 IonicContact OE2-CZ 2.78Å; E75-R77 IonicContact OE2-NE 3.17Å; E75-R77 PolarHBondContact OE2-NE 3.04Å; E75-R77 IonicContact OE2-NH2 3.58Å; E75-R77 PolarHBondContact OE2-NH2 3.41Å; E75-R77 VanDerWaalsContact OE2-NH2 3.15Å; E75-F78 HydrophobicContact CB-CD2 4.12Å; E75-F78 HydrophobicContact CB-CE2 4.29Å; E75-F78 HydrophobicContact CG-CD2 4.48Å; E75-F78 HydrophobicContact CG-CE2 4.39Å; E75-F78 WeakPolarHBondContact OE2-CE2 2.88Å
76	S	93.6	Very high	94.3	Very high	102 Å²	102	67.3 Å²	67.3	71%	0.713	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	55	21.6	-173.5	-50	0	0	0	0	115	G73 S74	G73-S76 PolarHBondContact O-N 3.07Å; G73-S76 VanDerWaalsContact O-N 3.14Å; S74-S76 PolarHBondContact O-N 2.95Å
77	R	95.8	Very high	94.6	Very high	41 Å²	41	59.9 Å²	59.9	16%	0.155	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-141.3	-17.4	-176.9	72.8	-170.5	-173.2	95.7	-7.1	114.5	S74 E75 E92 D99	S74-R77 PolarHBondContact O-N 3Å; S74-R77 VanDerWaalsContact O-N 3.15Å; E75-R77 HydrophobicContact CB-CG 4.02Å; E75-R77 PolarHBondContact O-N 3.21Å; E75-R77 VanDerWaalsContact O-N 3.14Å; E75-R77 IonicContact OE2-CZ 2.78Å; E75-R77 IonicContact OE2-NE 3.17Å; E75-R77 PolarHBondContact OE2-NE 3.04Å; E75-R77 IonicContact OE2-NH2 3.58Å; E75-R77 PolarHBondContact OE2-NH2 3.41Å; E75-R77 VanDerWaalsContact OE2-NH2 3.15Å; R77-E92 HydrophobicContact CB-CB 4.29Å; R77-E92 PolarHBondContact O-N 3.3Å; R77-D99 IonicContact CZ-OD1 2.77Å; R77-D99 VanDerWaalsContact CZ-OD1 3.31Å; R77-D99 IonicContact CZ-OD2 2.57Å; R77-D99 IonicContact NH1-OD1 2.79Å; R77-D99 PolarHBondContact NH1-OD1 3.32Å; R77-D99 IonicContact NH1-OD2 3.27Å; R77-D99 PolarHBondContact NH1-OD2 3.48Å; R77-D99 IonicContact NH2-OD1 2.71Å; R77-D99 PolarHBondContact NH2-OD1 3.39Å; R77-D99 IonicContact NH2-OD2 2.77Å
78	F	97.2	Very high	94.9	Very high	2 Å²	2	59.3 Å²	59.3	1%	0.009	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	117.6	174.9	-66.5	-74.7	0	0	0	109.7	L70 G73 S74 E75 L89 H90 I91	L70-F78 HydrophobicContact CD1-CD1 4.27Å; L70-F78 HydrophobicContact CD1-CE1 4.27Å; L70-F78 HydrophobicContact CD2-CD1 4.09Å; L70-F78 HydrophobicContact CD2-CD2 4.28Å; L70-F78 HydrophobicContact CD2-CE1 4Å; L70-F78 HydrophobicContact CD2-CE2 4.18Å; L70-F78 HydrophobicContact CD2-CG 4.23Å; L70-F78 HydrophobicContact CD2-CZ 4.04Å; G73-F78 WeakPolarHBondContact CA-O 3.24Å; G73-F78 PolarHBondContact N-O 3.08Å; S74-F78 PolarHBondContact N-O 3.32Å; S74-F78 WeakPolarHBondContact O-CD2 3.45Å; S74-F78 PolarHBondContact O-N 3.27Å; E75-F78 HydrophobicContact CB-CD2 4.12Å; E75-F78 HydrophobicContact CB-CE2 4.29Å; E75-F78 HydrophobicContact CG-CD2 4.48Å; E75-F78 HydrophobicContact CG-CE2 4.39Å; E75-F78 WeakPolarHBondContact OE2-CE2 2.88Å; F78-L89 HydrophobicContact CD1-CD1 4.32Å; F78-H90 WeakPolarHBondContact CA-O 3.47Å; F78-I91 HydrophobicContact CD1-CB 4.34Å; F78-I91 HydrophobicContact CD1-CD1 4.45Å; F78-I91 HydrophobicContact CD1-CG1 3.86Å; F78-I91 HydrophobicContact CD1-CG2 4Å; F78-I91 HydrophobicContact CE1-CB 4.28Å; F78-I91 HydrophobicContact CE1-CD1 4.03Å; F78-I91 HydrophobicContact CE1-CG1 3.87Å; F78-I91 HydrophobicContact CE1-CG2 3.6Å; F78-I91 HydrophobicContact CZ-CG2 4.32Å
79	F	97.7	Very high	95.1	Very high	70 Å²	70	54.9 Å²	54.9	31%	0.307	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	128.1	177.6	-59.2	-82	0	0	0	110.4	H90 E92	F79-H90 HydrophobicContact CB-CB 4.22Å; F79-H90 PolarHBondContact N-O 2.99Å; F79-H90 PolarHBondContact O-N 3.14Å; F79-E92 HydrophobicContact CD2-CG 4.29Å; F79-E92 HydrophobicContact CE2-CG 4.17Å
80	V	97.6	Very high	95.2	Very high	30 Å²	30	55.2 Å²	55.2	18%	0.182	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	121.3	-179.5	177.4	0	0	0	0	108.4	W59 N72 E88 L89	W59-V80 HydrophobicContact CB-CG2 4.5Å; W59-V80 HydrophobicContact CG-CG2 4.45Å; N72-V80 HydrophobicContact CB-CB 4.43Å; N72-V80 PolarHBondContact OD1-N 3.4Å; V80-E88 WeakPolarHBondContact CA-O 3.46Å; V80-L89 HydrophobicContact CG2-CD1 3.76Å
81	S	96.9	Very high	95.3	Very high	71 Å²	71	55 Å²	55	50%	0.497	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	114.9	173.5	-174.9	0	0	0	0	108.8	S87 E88	S81-S87 CarbonylContact O-C 3.58Å; S81-S87 WeakPolarHBondContact O-CA 3.3Å; S81-E88 PolarHBondContact N-O 3.06Å; S81-E88 PolarHBondContact O-N 3.39Å
82	S	96.8	Very high	95.6	Very high	58 Å²	58	54 Å²	54	41%	0.406	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	138.5	-174.5	-66.5	0	0	0	0	110.9	W57 S87	W57-S82 WeakPolarHBondContact CB-OG 3.41Å; S82-S87 PolarHBondContact OG-OG 3.02Å
83	S	95.1	Very high	95.7	Very high	64 Å²	64	54.6 Å²	54.6	45%	0.448	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	171.9	177.4	65.6	0	0	0	0	109.7	W57 G85 R86	W57-S83 PolarHBondContact NE1-O 3.43Å; S83-G85 PolarHBondContact O-N 3.07Å; S83-G85 VanDerWaalsContact O-N 3.13Å; S83-R86 CarbonylContact C-O 3.59Å; S83-R86 WeakPolarHBondContact CA-O 3.21Å; S83-R86 PolarHBondContact N-O 3.46Å; S83-R86 PolarHBondContact O-N 3.12Å; S83-R86 PolarHBondContact OG-O 2.92Å
84	Q	94.5	Very high	96.2	Very high	140 Å²	140	53 Å²	53	65%	0.654	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	120.6	177.8	-172.3	176	91	0	0	110.3	P53 R86	P53-Q84 HydrophobicContact CB-CG 3.55Å; P53-Q84 HydrophobicContact CG-CG 4.02Å; Q84-R86 PolarHBondContact O-N 3.16Å
85	G	95.1	Very high	96.5	Very high	11 Å²	11	54.3 Å²	54.3	11%	0.113	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.5	5.5	179.5	0	0	0	0	0	116	K47 S48 V54 S83	K47-G85 CarbonylContact C-O 3.55Å; K47-G85 WeakPolarHBondContact CA-O 3.28Å; S48-G85 PolarHBondContact N-O 2.94Å; S48-G85 VanDerWaalsContact O-CA 3.3Å; S48-G85 WeakPolarHBondContact O-CA 3.19Å; V54-G85 PolarHBondContact O-N 3.03Å; S83-G85 PolarHBondContact O-N 3.07Å; S83-G85 VanDerWaalsContact O-N 3.13Å
86	R	98	Very high	96.7	Very high	93 Å²	93	53 Å²	53	35%	0.351	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	136	175.6	-178.7	-175.5	177.7	91.8	-1.7	112.3	V45 C46 S83 Q84 E88	V45-R86 HydrophobicContact CG1-CG 4.4Å; V45-R86 VanDerWaalsContact CG1-CZ 3.42Å; C46-R86 WeakPolarHBondContact O-CA 3.3Å; S83-R86 CarbonylContact C-O 3.59Å; S83-R86 WeakPolarHBondContact CA-O 3.21Å; S83-R86 PolarHBondContact N-O 3.46Å; S83-R86 PolarHBondContact O-N 3.12Å; S83-R86 PolarHBondContact OG-O 2.92Å; Q84-R86 PolarHBondContact O-N 3.16Å; R86-E88 IonicContact CZ-OE1 3.17Å; R86-E88 IonicContact NE-OE1 2.9Å; R86-E88 PolarHBondContact NE-OE1 2.95Å; R86-E88 IonicContact NH2-OE1 2.92Å; R86-E88 PolarHBondContact NH2-OE1 3.46Å
87	S	98.3	Very high	96.7	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	146	174.3	-177.1	0	0	0	0	111.6	V45 C46 W57 W59 S81 S82	V45-S87 WeakPolarHBondContact CA-O 3.44Å; C46-S87 PolarHBondContact N-O 2.97Å; C46-S87 PolarHBondContact O-N 3.44Å; W57-S87 VanDerWaalsContact CD2-CB 3.4Å; W57-S87 VanDerWaalsContact CG-CB 3.43Å; W59-S87 PolarHBondContact NE1-OG 2.78Å; S81-S87 CarbonylContact O-C 3.58Å; S81-S87 WeakPolarHBondContact O-CA 3.3Å; S82-S87 PolarHBondContact OG-OG 3.02Å
88	E	98.3	Very high	96.6	Very high	39 Å²	39	57 Å²	57	18%	0.182	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	128.6	-174.8	-56.5	-177.9	171.7	0	0	109.7	L44 V45 V80 S81 R86 H90	L44-E88 CarbonylContact O-C 3.6Å; L44-E88 WeakPolarHBondContact O-CA 3.32Å; V45-E88 HydrophobicContact CG1-CG 4.14Å; V45-E88 HydrophobicContact CG2-CG 4.06Å; V80-E88 WeakPolarHBondContact CA-O 3.46Å; S81-E88 PolarHBondContact N-O 3.06Å; S81-E88 PolarHBondContact O-N 3.39Å; R86-E88 IonicContact CZ-OE1 3.17Å; R86-E88 IonicContact NE-OE1 2.9Å; R86-E88 PolarHBondContact NE-OE1 2.95Å; R86-E88 IonicContact NH2-OE1 2.92Å; R86-E88 PolarHBondContact NH2-OE1 3.46Å; E88-H90 IonicContact OE2-CE1 2.81Å
89	L	98.5	Very high	96.5	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	119.7	171.1	171.3	67.6	0	0	0	108.8	M43 L44 W59 L70 F78 V80 I91 Y103	M43-L89 WeakPolarHBondContact CA-O 3.26Å; L44-L89 HydrophobicContact CB-CB 4.39Å; L44-L89 HydrophobicContact CD1-CD2 4.28Å; L44-L89 PolarHBondContact N-O 2.81Å; L44-L89 PolarHBondContact O-N 2.83Å; W59-L89 HydrophobicContact CB-CD2 4.34Å; W59-L89 HydrophobicContact CD2-CB 3.57Å; W59-L89 HydrophobicContact CD2-CD2 3.99Å; W59-L89 HydrophobicContact CD2-CG 4.34Å; W59-L89 HydrophobicContact CE3-CB 3.78Å; W59-L89 HydrophobicContact CE3-CD2 3.62Å; W59-L89 HydrophobicContact CE3-CG 4.35Å; W59-L89 HydrophobicContact CG-CB 4.04Å; W59-L89 HydrophobicContact CG-CD2 4.32Å; W59-L89 HydrophobicContact CH2-CB 4.11Å; W59-L89 HydrophobicContact CZ2-CB 3.93Å; W59-L89 HydrophobicContact CZ3-CB 4.05Å; W59-L89 HydrophobicContact CZ3-CD2 4.2Å; L70-L89 HydrophobicContact CD1-CD1 4.29Å; L70-L89 HydrophobicContact CD1-CD2 3.56Å; F78-L89 HydrophobicContact CD1-CD1 4.32Å; V80-L89 HydrophobicContact CG2-CD1 3.76Å; L89-I91 HydrophobicContact CD2-CD1 4.18Å; L89-I91 HydrophobicContact CD2-CG1 4.27Å; L89-I91 HydrophobicContact CG-CD1 4.48Å; L89-I91 HydrophobicContact CG-CG1 4.05Å; L89-Y103 HydrophobicContact CD2-CD1 3.81Å; L89-Y103 HydrophobicContact CD2-CE1 4.34Å
90	H	98.3	Very high	96.5	Very high	50 Å²	50	55.8 Å²	55.8	23%	0.231	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	131	172.8	-62.1	76.7	0	0	0	109.4	A42 F78 F79 E88	A42-H90 CarbonylContact O-C 3.46Å; A42-H90 VanDerWaalsContact O-CA 3.25Å; A42-H90 WeakPolarHBondContact O-CA 3.2Å; F78-H90 WeakPolarHBondContact CA-O 3.47Å; F79-H90 HydrophobicContact CB-CB 4.22Å; F79-H90 PolarHBondContact N-O 2.99Å; F79-H90 PolarHBondContact O-N 3.14Å; E88-H90 IonicContact OE2-CE1 2.81Å
91	I	98.1	Very high	96.5	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	103.9	177.3	-46.5	175.9	0	0	0	107	T41 A42 L44 F78 L89 L94 Y103 L120	T41-I91 CarbonylContact C-O 3.56Å; T41-I91 VanDerWaalsContact CA-O 3.3Å; T41-I91 WeakPolarHBondContact CA-O 3.27Å; A42-I91 HydrophobicContact CB-CB 4.18Å; A42-I91 HydrophobicContact CB-CG1 4.48Å; A42-I91 PolarHBondContact N-O 3.38Å; A42-I91 PolarHBondContact O-N 2.94Å; L44-I91 HydrophobicContact CD1-CD1 4.38Å; F78-I91 HydrophobicContact CD1-CB 4.34Å; F78-I91 HydrophobicContact CD1-CD1 4.45Å; F78-I91 HydrophobicContact CD1-CG1 3.86Å; F78-I91 HydrophobicContact CD1-CG2 4Å; F78-I91 HydrophobicContact CE1-CB 4.28Å; F78-I91 HydrophobicContact CE1-CD1 4.03Å; F78-I91 HydrophobicContact CE1-CG1 3.87Å; F78-I91 HydrophobicContact CE1-CG2 3.6Å; F78-I91 HydrophobicContact CZ-CG2 4.32Å; L89-I91 HydrophobicContact CD2-CD1 4.18Å; L89-I91 HydrophobicContact CD2-CG1 4.27Å; L89-I91 HydrophobicContact CG-CD1 4.48Å; L89-I91 HydrophobicContact CG-CG1 4.05Å; I91-L94 HydrophobicContact CB-CD2 4.16Å; I91-L94 HydrophobicContact CG2-CD2 3.9Å; I91-Y103 HydrophobicContact CD1-CD1 4.21Å; I91-Y103 HydrophobicContact CD1-CE1 3.54Å; I91-Y103 HydrophobicContact CD1-CE2 4.37Å; I91-L120 HydrophobicContact CD1-CD2 3.99Å
92	E	97.8	Very high	96.5	Very high	86 Å²	86	56.7 Å²	56.7	40%	0.402	30%	0.304	S	S	.	.			trans	-80.3	153	179.4	-64	-174.1	172.7	0	0	111.7	T41 R77 F79	T41-E92 HydrophobicContact CG2-CG 4.09Å; R77-E92 HydrophobicContact CB-CB 4.29Å; R77-E92 PolarHBondContact O-N 3.3Å; F79-E92 HydrophobicContact CD2-CG 4.29Å; F79-E92 HydrophobicContact CE2-CG 4.17Å
93	N	96.1	Very high	96.6	Very high	120 Å²	120	53.9 Å²	53.9	64%	0.642	28%	0.284	S	S	*	.	S	Bend	trans	49.3	63.3	175	-171.6	34.7	0	0	0	112.6	E40 N95	E40-N93 PolarHBondContact O-N 3.3Å; N93-N95 PolarHBondContact O-N 3.25Å
94	L	97.1	Very high	96.8	Very high	2 Å²	2	52.7 Å²	52.7	1%	0.01	27%	0.27	C	S	.	.			trans	-54.6	129.9	-175.8	-74.9	171.9	0	0	0	112.6	I36 E38 G39 E40 A42 I91 D99 L120 V122	I36-L94 HydrophobicContact CB-CD1 3.69Å; I36-L94 HydrophobicContact CG2-CD1 3.39Å; E38-L94 WeakPolarHBondContact CG-O 3.29Å; G39-L94 PolarHBondContact N-O 3.47Å; E40-L94 VanDerWaalsContact O-CG 3.3Å; E40-L94 WeakPolarHBondContact O-CG 3.39Å; E40-L94 PolarHBondContact O-N 3.44Å; A42-L94 HydrophobicContact CB-CD1 4.04Å; A42-L94 HydrophobicContact CB-CD2 3.98Å; A42-L94 HydrophobicContact CB-CG 4.36Å; I91-L94 HydrophobicContact CB-CD2 4.16Å; I91-L94 HydrophobicContact CG2-CD2 3.9Å; L94-D99 HydrophobicContact CD2-CB 3.93Å; L94-L120 HydrophobicContact CD2-CD2 3.86Å; L94-V122 HydrophobicContact CB-CG1 4.23Å; L94-V122 HydrophobicContact CB-CG2 4.41Å; L94-V122 HydrophobicContact CD1-CG2 4.43Å; L94-V122 HydrophobicContact CD2-CG2 4.37Å
95	N	95.6	Very high	97	Very high	64 Å²	64	46 Å²	46	34%	0.342	24%	0.239	S	C	.	.			trans	-103.6	136.4	175.4	177.1	-87.2	0	0	0	111.2	N93 E97 A98 D99 P100	N93-N95 PolarHBondContact O-N 3.25Å; N95-E97 VanDerWaalsContact C-N 3.34Å; N95-E97 PolarHBondContact O-N 3.04Å; N95-E97 WeakPolarHBondContact OD1-CA 3.19Å; N95-E97 WeakPolarHBondContact OD1-CB 3.48Å; N95-E97 PolarHBondContact OD1-N 2.88Å; N95-A98 PolarHBondContact OD1-N 2.89Å; N95-D99 PolarHBondContact N-OD2 2.88Å; N95-D99 WeakPolarHBondContact O-CB 3.49Å; N95-D99 PolarHBondContact O-N 2.77Å; N95-D99 VanDerWaalsContact O-N 3.1Å; N95-P100 WeakPolarHBondContact O-CD 3.46Å
96	M	94.8	Very high	97.1	Very high	70 Å²	70	47.2 Å²	47.2	35%	0.345	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-23.1	-178.2	-80.7	-162.7	79.8	0	0	116.2	E38 P100 V122 S124	E38-M96 HydrophobicContact CB-CG 4.01Å; E38-M96 HydrophobicContact CG-CG 3.99Å; M96-P100 WeakPolarHBondContact O-CD 3.49Å; M96-P100 WeakPolarHBondContact O-CG 3.37Å; M96-V122 HydrophobicContact CG-CG1 4.04Å; M96-S124 WeakPolarHBondContact SD-CA 3.3Å; M96-S124 WeakPolarHBondContact SD-CB 3.47Å; M96-S124 PolarHBondContact SD-OG 2.8Å
97	E	93.1	Very high	97.1	Very high	181 Å²	181	42.8 Å²	42.8	85%	0.846	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93	-47.7	-176	-57.8	-175	169.8	0	0	110.7	N95	N95-E97 VanDerWaalsContact C-N 3.34Å; N95-E97 PolarHBondContact O-N 3.04Å; N95-E97 WeakPolarHBondContact OD1-CA 3.19Å; N95-E97 WeakPolarHBondContact OD1-CB 3.48Å; N95-E97 PolarHBondContact OD1-N 2.88Å
98	A	93.7	Very high	97.1	Very high	45 Å²	45	45.3 Å²	45.3	37%	0.372	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-50.9	-176	0	0	0	0	0	111.2	K61 N95	K61-A98 VanDerWaalsContact CE-O 3.31Å; K61-A98 WeakPolarHBondContact CE-O 3.32Å; K61-A98 PolarHBondContact NZ-O 2.89Å; N95-A98 PolarHBondContact OD1-N 2.89Å
99	D	96.2	Very high	97.1	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.235	C	C	.	.	S	Bend	trans	-82.1	-24.8	-159.4	-62	-31.9	0	0	0	117.7	R77 L94 N95 Y103 V122	R77-D99 IonicContact CZ-OD1 2.77Å; R77-D99 VanDerWaalsContact CZ-OD1 3.31Å; R77-D99 IonicContact CZ-OD2 2.57Å; R77-D99 IonicContact NH1-OD1 2.79Å; R77-D99 PolarHBondContact NH1-OD1 3.32Å; R77-D99 IonicContact NH1-OD2 3.27Å; R77-D99 PolarHBondContact NH1-OD2 3.48Å; R77-D99 IonicContact NH2-OD1 2.71Å; R77-D99 PolarHBondContact NH2-OD1 3.39Å; R77-D99 IonicContact NH2-OD2 2.77Å; L94-D99 HydrophobicContact CD2-CB 3.93Å; N95-D99 PolarHBondContact N-OD2 2.88Å; N95-D99 WeakPolarHBondContact O-CB 3.49Å; N95-D99 PolarHBondContact O-N 2.77Å; N95-D99 VanDerWaalsContact O-N 3.1Å; D99-Y103 WeakPolarHBondContact O-CE2 3.01Å; D99-Y103 PolarHBondContact O-OH 2.87Å; D99-V122 HydrophobicContact CB-CG2 4.4Å
100	P	97.3	Very high	97	Very high	48 Å²	48	48.4 Å²	48.4	31%	0.312	27%	0.267	S	S	.	.			trans	-58.4	145.9	173	-22	31.8	0	0	0	112	N95 M96 V122	N95-P100 WeakPolarHBondContact O-CD 3.46Å; M96-P100 WeakPolarHBondContact O-CD 3.49Å; M96-P100 WeakPolarHBondContact O-CG 3.37Å; P100-V122 HydrophobicContact CG-CB 3.91Å; P100-V122 HydrophobicContact CG-CG2 3.81Å
101	G	97.3	Very high	96.9	Very high	29 Å²	29	51.5 Å²	51.5	30%	0.299	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	141.4	-155.7	175.6	0	0	0	0	0	112.6	T119 L120	G101-T119 CarbonylContact O-C 3.54Å; G101-T119 WeakPolarHBondContact O-CA 3.42Å; G101-L120 PolarHBondContact N-O 2.73Å; G101-L120 PolarHBondContact O-N 2.01Å
102	Q	98.1	Very high	96.8	Very high	90 Å²	90	53 Å²	53	42%	0.421	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	134.9	-177.8	-62.8	-174.3	-29.5	0	0	110.8	I62 I117 I118	I62-Q102 HydrophobicContact CB-CB 4.14Å; I62-Q102 WeakPolarHBondContact CB-O 3.25Å; I62-Q102 HydrophobicContact CD1-CB 3.76Å; I62-Q102 HydrophobicContact CG1-CB 4.21Å; I62-Q102 WeakPolarHBondContact CG1-O 3.49Å; I62-Q102 PolarHBondContact N-O 3Å; Q102-I117 HydrophobicContact CB-CG2 3.92Å; Q102-I117 HydrophobicContact CG-CG2 4.27Å; Q102-I118 WeakPolarHBondContact CA-O 3.41Å
103	Y	98.3	Very high	96.8	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	139.5	177	-68.7	-99.7	0	0	0	108.5	L44 Y60 K61 L70 L89 I91 D99 I117 I118 L120	L44-Y103 HydrophobicContact CD1-CD1 4.12Å; L44-Y103 HydrophobicContact CD1-CD2 3.8Å; L44-Y103 HydrophobicContact CD1-CG 3.56Å; Y60-Y103 CarbonylContact O-C 3.58Å; Y60-Y103 WeakPolarHBondContact O-CA 3.37Å; K61-Y103 HydrophobicContact CB-CD1 4.26Å; K61-Y103 HydrophobicContact CB-CE1 4.05Å; K61-Y103 HydrophobicContact CD-CE1 4.15Å; K61-Y103 HydrophobicContact CG-CD1 4.48Å; K61-Y103 HydrophobicContact CG-CE1 4.01Å; L70-Y103 HydrophobicContact CD1-CD1 3.74Å; L70-Y103 HydrophobicContact CD1-CE1 3.8Å; L89-Y103 HydrophobicContact CD2-CD1 3.81Å; L89-Y103 HydrophobicContact CD2-CE1 4.34Å; I91-Y103 HydrophobicContact CD1-CD1 4.21Å; I91-Y103 HydrophobicContact CD1-CE1 3.54Å; I91-Y103 HydrophobicContact CD1-CE2 4.37Å; D99-Y103 WeakPolarHBondContact O-CE2 3.01Å; D99-Y103 PolarHBondContact O-OH 2.87Å; Y103-I117 CarbonylContact O-C 3.31Å; Y103-I117 WeakPolarHBondContact O-CA 3.43Å; Y103-I118 PolarHBondContact N-O 2.87Å; Y103-I118 PolarHBondContact O-N 3.35Å; Y103-L120 HydrophobicContact CD2-CB 3.92Å; Y103-L120 HydrophobicContact CE2-CB 3.75Å; Y103-L120 HydrophobicContact CE2-CD2 3.78Å; Y103-L120 HydrophobicContact CE2-CG 4.4Å
104	R	98.4	Very high	96.9	Very high	39 Å²	39	49.2 Å²	49.2	15%	0.147	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	128.9	-178.2	-167	-167.8	-45.7	-74.2	4.4	109	W59 Y60 I62 D67 Q115 A116 I117	W59-R104 CarbonylContact C-O 3.54Å; W59-R104 WeakPolarHBondContact CA-O 3.25Å; Y60-R104 PolarHBondContact N-O 3Å; Y60-R104 PolarHBondContact O-N 3.14Å; I62-R104 HydrophobicContact CD1-CB 4.15Å; I62-R104 HydrophobicContact CG1-CB 4.1Å; I62-R104 VanDerWaalsContact CG1-NH2 3.34Å; D67-R104 IonicContact OD1-NH2 2.89Å; D67-R104 PolarHBondContact OD1-NH2 2.84Å; D67-R104 IonicContact OD2-CZ 3.82Å; D67-R104 IonicContact OD2-NE 3.46Å; D67-R104 PolarHBondContact OD2-NE 2.87Å; D67-R104 IonicContact OD2-NH2 3.99Å; D67-R104 PolarHBondContact OD2-NH2 3.12Å; R104-Q115 VanDerWaalsContact CD-OE1 3.27Å; R104-Q115 HydrophobicContact CG-CB 4.33Å; R104-A116 WeakPolarHBondContact CA-O 3.42Å; R104-I117 HydrophobicContact CG-CG1 4.46Å
105	C	98.2	Very high	97	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	134	165.2	63.3	0	0	0	0	108.3	C46 A58 W59 Q115 A116	C46-C105 HydrophobicContact CB-CB 3.7Å; C46-C105 WeakPolarHBondContact CB-SG 3.29Å; C46-C105 WeakPolarHBondContact SG-CB 3.33Å; C46-C105 CovalentContact SG-SG 2.01Å; C46-C105 PolarHBondContact SG-SG 2.98Å; A58-C105 WeakPolarHBondContact O-CA 2.98Å; W59-C105 HydrophobicContact CD2-CB 3.97Å; W59-C105 HydrophobicContact CE3-CB 3.9Å; W59-C105 HydrophobicContact CH2-CB 3.81Å; W59-C105 HydrophobicContact CZ2-CB 3.86Å; W59-C105 HydrophobicContact CZ3-CB 3.82Å; C105-Q115 CarbonylContact O-C 3.56Å; C105-Q115 WeakPolarHBondContact O-CA 3.46Å; C105-Q115 WeakPolarHBondContact O-CB 3.3Å; C105-A116 PolarHBondContact N-O 2.87Å; C105-A116 PolarHBondContact O-N 2.89Å; C105-A116 PolarHBondContact SG-O 3.01Å
106	N	98.3	Very high	97.1	Very high	35 Å²	35	51.4 Å²	51.4	19%	0.187	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	122	174.3	-174.7	-24.1	0	0	0	108	W57 A58 Y60 D114	W57-N106 WeakPolarHBondContact CA-O 3.5Å; A58-N106 PolarHBondContact N-O 2.87Å; A58-N106 PolarHBondContact O-N 2.95Å; Y60-N106 HydrophobicContact CE2-CB 4.08Å; N106-D114 PolarHBondContact OD1-O 2.84Å
107	G	98.2	Very high	97.3	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	125.9	177	0	0	0	0	0	110.4	D56 S113 D114	D56-G107 WeakPolarHBondContact O-CA 3.33Å; G107-S113 VanDerWaalsContact O-CA 3.29Å; G107-S113 WeakPolarHBondContact O-CA 3.43Å; G107-D114 PolarHBondContact N-O 2.91Å; G107-D114 PolarHBondContact O-N 2.84Å
108	T	98.1	Very high	97.5	Very high	53 Å²	53	42.8 Å²	42.8	33%	0.325	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	136.9	-179.9	-55.6	0	0	0	0	111.7	V54 T55 D56 S113	V54-T108 WeakPolarHBondContact CA-O 3.39Å; V54-T108 WeakPolarHBondContact CG1-O 3.4Å; T55-T108 PolarHBondContact N-O 2.79Å; D56-T108 PolarHBondContact N-O 3.43Å; D56-T108 PolarHBondContact O-N 2.71Å; T108-S113 WeakPolarHBondContact OG1-CB 3.33Å
109	S	97.2	Very high	97.8	Very high	8 Å²	8	42.4 Å²	42.4	6%	0.056	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	171	174.9	173.8	0	0	0	0	109.1	P52 P53 K111 G112	P52-S109 PolarHBondContact O-OG 2.99Å; P53-S109 PolarHBondContact O-OG 2.94Å; S109-K111 PolarHBondContact O-N 2.77Å; S109-G112 PolarHBondContact N-O 3.42Å; S109-G112 PolarHBondContact O-N 2.9Å
110	S	96.8	Very high	97.9	Very high	97 Å²	97	42.4 Å²	42.4	68%	0.678	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62	-10.4	176.7	61.3	0	0	0	0	114.4	P52	P52-S110 WeakPolarHBondContact CG-OG 3.06Å
111	K	96.6	Very high	97.9	Very high	114 Å²	114	45.8 Å²	45.8	50%	0.496	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.2	4	176.8	-63	-60.4	-176.3	-177.7	0	114.5	G23 P52 S109	G23-K111 WeakPolarHBondContact O-CB 3.37Å; P52-K111 VanDerWaalsContact CD-CG 3.41Å; P52-K111 HydrophobicContact CG-CG 3.87Å; S109-K111 PolarHBondContact O-N 2.77Å
112	G	96.7	Very high	97.9	Very high	32 Å²	32	45.2 Å²	45.2	33%	0.33	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	130.7	-162.5	178.7	0	0	0	0	0	112.3	P25 S109	P25-G112 WeakPolarHBondContact CD-O 3.21Å; P25-G112 VanDerWaalsContact CG-O 3.32Å; P25-G112 WeakPolarHBondContact CG-O 3.45Å; S109-G112 PolarHBondContact N-O 3.42Å; S109-G112 PolarHBondContact O-N 2.9Å
113	S	97.5	Very high	97.7	Very high	69 Å²	69	47.7 Å²	47.7	48%	0.483	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	155.3	-179.6	54.8	0	0	0	0	111.5	G107 T108	G107-S113 VanDerWaalsContact O-CA 3.29Å; G107-S113 WeakPolarHBondContact O-CA 3.43Å; T108-S113 WeakPolarHBondContact OG1-CB 3.33Å
114	D	98.3	Very high	97.3	Very high	57 Å²	57	49.2 Å²	49.2	31%	0.305	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	162.5	171.7	-174.2	30.5	0	0	0	109.1	P25 R26 V27 N106 G107	P25-D114 HydrophobicContact CG-CB 4.15Å; P25-D114 WeakPolarHBondContact O-CB 3.5Å; R26-D114 VanDerWaalsContact CA-OD2 3.29Å; R26-D114 WeakPolarHBondContact CA-OD2 3.08Å; V27-D114 HydrophobicContact CB-CB 4.28Å; V27-D114 HydrophobicContact CG2-CB 4.09Å; V27-D114 WeakPolarHBondContact CG2-O 3.45Å; V27-D114 PolarHBondContact N-OD2 3.4Å; N106-D114 PolarHBondContact OD1-O 2.84Å; G107-D114 PolarHBondContact N-O 2.91Å; G107-D114 PolarHBondContact O-N 2.84Å
115	Q	98.1	Very high	96.7	Very high	99 Å²	99	53.9 Å²	53.9	46%	0.463	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	150.4	-170.6	62.6	-171.4	-2.3	0	0	112.5	R104 C105	R104-Q115 VanDerWaalsContact CD-OE1 3.27Å; R104-Q115 HydrophobicContact CG-CB 4.33Å; C105-Q115 CarbonylContact O-C 3.56Å; C105-Q115 WeakPolarHBondContact O-CA 3.46Å; C105-Q115 WeakPolarHBondContact O-CB 3.3Å
116	A	98.4	Very high	96.1	Very high	13 Å²	13	58.5 Å²	58.5	11%	0.107	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	152.3	170.3	0	0	0	0	0	110.9	V27 A29 R104 C105	V27-A116 HydrophobicContact CG1-CB 4.04Å; A29-A116 HydrophobicContact CB-CB 4.34Å; R104-A116 WeakPolarHBondContact CA-O 3.42Å; C105-A116 PolarHBondContact N-O 2.87Å; C105-A116 PolarHBondContact O-N 2.89Å; C105-A116 PolarHBondContact SG-O 3.01Å
117	I	98.4	Very high	95.5	Very high	71 Å²	71	59.5 Å²	59.5	36%	0.364	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	136.5	-179.5	-58.1	174.2	0	0	0	109.2	I62 Q102 Y103 R104	I62-I117 HydrophobicContact CD1-CD1 4.15Å; I62-I117 HydrophobicContact CD1-CG1 4.23Å; I62-I117 HydrophobicContact CD1-CG2 4.05Å; Q102-I117 HydrophobicContact CB-CG2 3.92Å; Q102-I117 HydrophobicContact CG-CG2 4.27Å; Y103-I117 CarbonylContact O-C 3.31Å; Y103-I117 WeakPolarHBondContact O-CA 3.43Å; R104-I117 HydrophobicContact CG-CG1 4.46Å
118	I	98.6	Very high	94.8	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	129	177.3	-57.2	174.1	0	0	0	108.4	A29 K31 S32 L44 W59 Q102 Y103	A29-I118 HydrophobicContact CB-CD1 3.85Å; A29-I118 HydrophobicContact CB-CG1 3.49Å; A29-I118 VanDerWaalsContact CB-CG1 3.49Å; K31-I118 WeakPolarHBondContact O-CG2 3.25Å; S32-I118 WeakPolarHBondContact O-CA 3.35Å; L44-I118 HydrophobicContact CB-CD1 3.95Å; L44-I118 HydrophobicContact CD1-CG2 4.37Å; L44-I118 HydrophobicContact CD2-CG2 3.99Å; W59-I118 HydrophobicContact CH2-CD1 3.92Å; W59-I118 HydrophobicContact CZ3-CD1 4.12Å; Q102-I118 WeakPolarHBondContact CA-O 3.41Å; Y103-I118 PolarHBondContact N-O 2.87Å; Y103-I118 PolarHBondContact O-N 3.35Å
119	T	98.5	Very high	94.3	Very high	36 Å²	36	64 Å²	64	22%	0.221	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	112.8	176.5	-53	0	0	0	0	110.2	S32 S33 E34 G101 R121	S32-T119 PolarHBondContact O-N 2.97Å; S33-T119 CarbonylContact C-O 3.58Å; S33-T119 WeakPolarHBondContact CA-O 3.12Å; S33-T119 PolarHBondContact OG-O 2.83Å; S33-T119 VanDerWaalsContact OG-O 3.12Å; E34-T119 PolarHBondContact N-O 2.95Å; G101-T119 CarbonylContact O-C 3.54Å; G101-T119 WeakPolarHBondContact O-CA 3.42Å; T119-R121 HydrophobicContact CG2-CG 4.41Å
120	L	98.4	Very high	94.1	Very high	1 Å²	1	72.3 Å²	72.3	1%	0.005	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	126.7	173.5	177.9	61.5	0	0	0	110	E34 I36 A42 L44 I91 L94 G101 Y103 V122	E34-L120 HydrophobicContact CB-CD1 4.25Å; I36-L120 HydrophobicContact CD1-CD1 4.19Å; I36-L120 HydrophobicContact CG1-CD1 4.38Å; A42-L120 HydrophobicContact CB-CD1 4.04Å; A42-L120 HydrophobicContact CB-CD2 4.16Å; L44-L120 HydrophobicContact CD2-CD1 4.48Å; I91-L120 HydrophobicContact CD1-CD2 3.99Å; L94-L120 HydrophobicContact CD2-CD2 3.86Å; G101-L120 PolarHBondContact N-O 2.73Å; G101-L120 PolarHBondContact O-N 2.01Å; Y103-L120 HydrophobicContact CD2-CB 3.92Å; Y103-L120 HydrophobicContact CE2-CB 3.75Å; Y103-L120 HydrophobicContact CE2-CD2 3.78Å; Y103-L120 HydrophobicContact CE2-CG 4.4Å; L120-V122 HydrophobicContact CG-CG2 4.41Å
121	R	97.5	Very high	93.9	Very high	119 Å²	119	71.4 Å²	71.4	45%	0.449	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	124	173.5	-67.5	-179.4	-178.9	112.4	2.8	109.7	S33 E34 H35 I36 T119	S33-R121 PolarHBondContact OG-NH1 3.1Å; E34-R121 PolarHBondContact O-N 3.41Å; H35-R121 WeakPolarHBondContact CA-O 3.2Å; H35-R121 WeakPolarHBondContact CE1-CD 3.37Å; H35-R121 PolarHBondContact NE2-NH1 2.85Å; H35-R121 VanDerWaalsContact NE2-NH1 3.14Å; I36-R121 PolarHBondContact N-O 2.87Å; T119-R121 HydrophobicContact CG2-CG 4.41Å
122	V	96.8	Very high	93.7	Very high	17 Å²	17	72.3 Å²	72.3	10%	0.103	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	135.7	176.8	-170.3	0	0	0	0	109.5	I36 E38 L94 M96 D99 P100 L120	I36-V122 CarbonylContact O-C 3.55Å; I36-V122 VanDerWaalsContact O-CA 3.26Å; I36-V122 WeakPolarHBondContact O-CA 3.28Å; E38-V122 HydrophobicContact CB-CG1 4.07Å; L94-V122 HydrophobicContact CB-CG1 4.23Å; L94-V122 HydrophobicContact CB-CG2 4.41Å; L94-V122 HydrophobicContact CD1-CG2 4.43Å; L94-V122 HydrophobicContact CD2-CG2 4.37Å; M96-V122 HydrophobicContact CG-CG1 4.04Å; D99-V122 HydrophobicContact CB-CG2 4.4Å; P100-V122 HydrophobicContact CG-CB 3.91Å; P100-V122 HydrophobicContact CG-CG2 3.81Å; L120-V122 HydrophobicContact CG-CG2 4.41Å
123	R	93.9	Very high	93.6	Very high	142 Å²	142	75.9 Å²	75.9	54%	0.536	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	138.7	175.6	-67	-177.8	178	170.5	2.5	110.7	I36 E38	I36-R123 PolarHBondContact O-N 3.39Å; E38-R123 PolarHBondContact N-O 3.2Å
124	S	91.3	Very high	93.5	Very high	31 Å²	31	74.6 Å²	74.6	22%	0.217	39%	0.386	C	S	.	.			trans	-66.2	137	175.5	-169.1	0	0	0	0	111.4	M96 L126 A127	M96-S124 WeakPolarHBondContact SD-CA 3.3Å; M96-S124 WeakPolarHBondContact SD-CB 3.47Å; M96-S124 PolarHBondContact SD-OG 2.8Å; S124-L126 PolarHBondContact O-N 2.82Å; S124-L126 PolarHBondContact OG-N 2.91Å; S124-L126 VanDerWaalsContact OG-N 3.12Å; S124-A127 WeakPolarHBondContact O-CB 3.31Å; S124-A127 PolarHBondContact O-N 2.88Å
125	H	84.6	Confident	93.4	Very high	137 Å²	137	76.5 Å²	76.5	63%	0.634	40%	0.395	S	S	*	.	S	Bend	trans	-64.6	-32.5	167.4	-174.7	-99.5	0	0	0	111.7	A127	H125-A127 VanDerWaalsContact C-N 3.31Å; H125-A127 PolarHBondContact O-N 2.8Å
126	L	86.9	Confident	93.4	Very high	98 Å²	98	75.9 Å²	75.9	51%	0.513	40%	0.398	S	S	.	.	G	3₁₀ helix	trans	-77.7	-15.7	-178.7	-55.7	177.7	0	0	0	113	S124 A128 L129	S124-L126 PolarHBondContact O-N 2.82Å; S124-L126 PolarHBondContact OG-N 2.91Å; S124-L126 VanDerWaalsContact OG-N 3.12Å; L126-A128 PolarHBondContact O-N 2.88Å; L126-A128 VanDerWaalsContact O-N 3.16Å; L126-L129 HydrophobicContact CD2-CD1 3.64Å; L126-L129 WeakPolarHBondContact O-CB 3.33Å; L126-L129 PolarHBondContact O-N 3.34Å
127	A	85.6	Confident	93.3	Very high	55 Å²	55	77.7 Å²	77.7	46%	0.455	41%	0.413	S	S	.	.	G	3₁₀ helix	trans	-55.3	-34.4	177.3	0	0	0	0	0	111.9	S124 H125 L129 P131	S124-A127 WeakPolarHBondContact O-CB 3.31Å; S124-A127 PolarHBondContact O-N 2.88Å; H125-A127 VanDerWaalsContact C-N 3.31Å; H125-A127 PolarHBondContact O-N 2.8Å; A127-L129 VanDerWaalsContact C-N 3.29Å; A127-L129 PolarHBondContact O-N 2.9Å; A127-P131 VanDerWaalsContact O-CD 3.25Å; A127-P131 WeakPolarHBondContact O-CD 3.29Å
128	A	82.4	Confident	93.3	Very high	61 Å²	61	80.3 Å²	80.3	50%	0.504	42%	0.423	S	S	.	.	G	3₁₀ helix	trans	-71.3	-21.1	178	0	0	0	0	0	113.5	L126 P131 F132	L126-A128 PolarHBondContact O-N 2.88Å; L126-A128 VanDerWaalsContact O-N 3.16Å; A128-P131 WeakPolarHBondContact O-CD 3.13Å; A128-F132 WeakPolarHBondContact O-CD2 3.4Å; A128-F132 VanDerWaalsContact O-CE2 3.32Å; A128-F132 WeakPolarHBondContact O-CE2 3.36Å
129	L	88.6	Confident	93.3	Very high	87 Å²	87	84 Å²	84	46%	0.455	45%	0.446	S	S	.	.	H	α-helix	trans	-78.9	-30.1	-179.8	-61.8	178.5	0	0	0	112.9	L126 A127 F132 L133	L126-L129 HydrophobicContact CD2-CD1 3.64Å; L126-L129 WeakPolarHBondContact O-CB 3.33Å; L126-L129 PolarHBondContact O-N 3.34Å; A127-L129 VanDerWaalsContact C-N 3.29Å; A127-L129 PolarHBondContact O-N 2.9Å; L129-F132 WeakPolarHBondContact O-CB 3.42Å; L129-F132 PolarHBondContact O-N 3.04Å; L129-L133 PolarHBondContact O-N 3.15Å
130	W	91.1	Very high	93.2	Very high	183 Å²	183	87.6 Å²	87.6	69%	0.693	46%	0.463	S	S	*	.	H	α-helix	trans	-58.3	-44.1	-178.2	-69.8	95.7	0	0	0	113.9	F132 L133 G134	W130-F132 VanDerWaalsContact C-N 3.31Å; W130-F132 PolarHBondContact O-N 3.14Å; W130-L133 PolarHBondContact O-N 3.03Å; W130-G134 PolarHBondContact O-N 3.13Å; W130-G134 VanDerWaalsContact O-N 3.08Å
131	P	93	Very high	93.2	Very high	78 Å²	78	91.3 Å²	91.3	51%	0.506	49%	0.486	S	S	.	.	H	α-helix	trans	-56.1	-42.8	171.3	-26.8	34	0	0	0	113.3	A127 A128 G134 I135	A127-P131 VanDerWaalsContact O-CD 3.25Å; A127-P131 WeakPolarHBondContact O-CD 3.29Å; A128-P131 WeakPolarHBondContact O-CD 3.13Å; P131-G134 PolarHBondContact O-N 3.2Å; P131-I135 WeakPolarHBondContact O-CG1 3.17Å; P131-I135 PolarHBondContact O-N 2.78Å; P131-I135 VanDerWaalsContact O-N 3.12Å
132	F	93.7	Very high	93.2	Very high	132 Å²	132	90 Å²	90	58%	0.579	49%	0.487	S	S	*	.	H	α-helix	trans	-65.9	-41.5	179.6	-65.7	-67.9	0	0	0	112	A128 L129 W130 G134 I135 V136	A128-F132 WeakPolarHBondContact O-CD2 3.4Å; A128-F132 VanDerWaalsContact O-CE2 3.32Å; A128-F132 WeakPolarHBondContact O-CE2 3.36Å; L129-F132 WeakPolarHBondContact O-CB 3.42Å; L129-F132 PolarHBondContact O-N 3.04Å; W130-F132 VanDerWaalsContact C-N 3.31Å; W130-F132 PolarHBondContact O-N 3.14Å; F132-G134 VanDerWaalsContact C-N 3.27Å; F132-G134 PolarHBondContact O-N 2.91Å; F132-I135 PolarHBondContact O-N 3.2Å; F132-V136 WeakPolarHBondContact O-CG2 3.47Å; F132-V136 PolarHBondContact O-N 3.03Å
133	L	93.2	Very high	93.2	Very high	107 Å²	107	93.3 Å²	93.3	56%	0.56	51%	0.507	S	S	*	.	H	α-helix	trans	-61.4	-37.2	175.5	-70.4	173.7	0	0	0	112	L129 W130 V136 A137	L129-L133 PolarHBondContact O-N 3.15Å; W130-L133 PolarHBondContact O-N 3.03Å; L133-V136 PolarHBondContact O-N 2.8Å; L133-A137 WeakPolarHBondContact O-CB 3.4Å; L133-A137 PolarHBondContact O-N 2.79Å
134	G	95.3	Very high	93.4	Very high	42 Å²	42	90.1 Å²	90.1	43%	0.433	50%	0.504	S	S	.	.	H	α-helix	trans	-60.8	-48.1	173.7	0	0	0	0	0	112.5	W130 P131 F132 V136 A137 E138	W130-G134 PolarHBondContact O-N 3.13Å; W130-G134 VanDerWaalsContact O-N 3.08Å; P131-G134 PolarHBondContact O-N 3.2Å; F132-G134 VanDerWaalsContact C-N 3.27Å; F132-G134 PolarHBondContact O-N 2.91Å; G134-V136 PolarHBondContact O-N 2.87Å; G134-A137 PolarHBondContact O-N 3.15Å; G134-E138 PolarHBondContact O-N 2.92Å
135	I	97.1	Very high	93.6	Very high	97 Å²	97	93.4 Å²	93.4	50%	0.497	52%	0.518	S	S	.	.	H	α-helix	trans	-62.6	-44.5	178.7	-62.7	163.2	0	0	0	110.8	P131 F132 A137 E138 V139	P131-I135 WeakPolarHBondContact O-CG1 3.17Å; P131-I135 PolarHBondContact O-N 2.78Å; P131-I135 VanDerWaalsContact O-N 3.12Å; F132-I135 PolarHBondContact O-N 3.2Å; I135-A137 VanDerWaalsContact C-N 3.35Å; I135-A137 PolarHBondContact O-N 2.81Å; I135-E138 PolarHBondContact O-N 2.9Å; I135-V139 WeakPolarHBondContact O-CG2 3.4Å; I135-V139 PolarHBondContact O-N 2.95Å
136	V	97.4	Very high	94.2	Very high	86 Å²	86	91.4 Å²	91.4	52%	0.521	51%	0.511	S	S	.	.	H	α-helix	trans	-62.7	-43.4	178.8	172.3	0	0	0	0	111	F132 L133 G134 E138 V139 L140	F132-V136 WeakPolarHBondContact O-CG2 3.47Å; F132-V136 PolarHBondContact O-N 3.03Å; L133-V136 PolarHBondContact O-N 2.8Å; G134-V136 PolarHBondContact O-N 2.87Å; V136-E138 PolarHBondContact O-N 3.49Å; V136-V139 PolarHBondContact O-N 2.67Å; V136-L140 HydrophobicContact CG1-CD1 4.19Å; V136-L140 WeakPolarHBondContact O-CG 3.37Å; V136-L140 PolarHBondContact O-N 2.77Å
137	A	97.7	Very high	94.6	Very high	51 Å²	51	93.1 Å²	93.1	42%	0.421	52%	0.515	S	S	.	.	H	α-helix	trans	-61.7	-43.2	176.5	0	0	0	0	0	111.9	L133 G134 I135 L140 V141	L133-A137 WeakPolarHBondContact O-CB 3.4Å; L133-A137 PolarHBondContact O-N 2.79Å; G134-A137 PolarHBondContact O-N 3.15Å; I135-A137 VanDerWaalsContact C-N 3.35Å; I135-A137 PolarHBondContact O-N 2.81Å; A137-L140 PolarHBondContact O-N 3.11Å; A137-V141 WeakPolarHBondContact O-CG2 3.45Å; A137-V141 PolarHBondContact O-N 2.78Å
138	E	97.4	Very high	95.1	Very high	126 Å²	126	95.3 Å²	95.3	59%	0.589	52%	0.517	S	S	*	.	H	α-helix	trans	-60.4	-46.7	177.1	-174.9	176.5	173.5	0	0	111.9	G134 I135 V136 L140 V141 L142	G134-E138 PolarHBondContact O-N 2.92Å; I135-E138 PolarHBondContact O-N 2.9Å; V136-E138 PolarHBondContact O-N 3.49Å; E138-L140 VanDerWaalsContact C-N 3.34Å; E138-L140 PolarHBondContact O-N 2.86Å; E138-V141 PolarHBondContact O-N 2.88Å; E138-L142 HydrophobicContact CG-CD1 4.34Å; E138-L142 WeakPolarHBondContact O-CG 3.45Å; E138-L142 PolarHBondContact O-N 2.98Å
139	V	98.2	Very high	95.5	Very high	79 Å²	79	98.3 Å²	98.3	48%	0.479	52%	0.516	S	S	.	.	H	α-helix	trans	-60.5	-43.2	177.6	172.5	0	0	0	0	111.3	I135 V136 V141 L142 V143	I135-V139 WeakPolarHBondContact O-CG2 3.4Å; I135-V139 PolarHBondContact O-N 2.95Å; V136-V139 PolarHBondContact O-N 2.67Å; V139-V141 VanDerWaalsContact C-N 3.35Å; V139-V141 PolarHBondContact O-N 3.5Å; V139-L142 PolarHBondContact O-N 2.58Å; V139-V143 HydrophobicContact CG1-CG2 4.41Å; V139-V143 VanDerWaalsContact O-CG2 3.29Å; V139-V143 WeakPolarHBondContact O-CG2 3.44Å; V139-V143 PolarHBondContact O-N 3.46Å
140	L	98	Very high	95.6	Very high	110 Å²	110	99.6 Å²	99.6	58%	0.576	52%	0.52	S	S	*	.	H	α-helix	trans	-63.5	-40	177.4	-69.8	174.5	0	0	0	112.1	V136 A137 E138 V143 T144	V136-L140 HydrophobicContact CG1-CD1 4.19Å; V136-L140 WeakPolarHBondContact O-CG 3.37Å; V136-L140 PolarHBondContact O-N 2.77Å; A137-L140 PolarHBondContact O-N 3.11Å; E138-L140 VanDerWaalsContact C-N 3.34Å; E138-L140 PolarHBondContact O-N 2.86Å; L140-V143 PolarHBondContact O-N 2.78Å; L140-T144 VanDerWaalsContact O-CG2 3.29Å; L140-T144 WeakPolarHBondContact O-CG2 3.47Å; L140-T144 PolarHBondContact O-N 3.14Å; L140-T144 PolarHBondContact O-OG1 3.27Å; L140-T144 VanDerWaalsContact O-OG1 3.04Å
141	V	98	Very high	95.3	Very high	80 Å²	80	98.3 Å²	98.3	49%	0.485	52%	0.519	S	S	.	.	H	α-helix	trans	-63.8	-45.3	175.5	171.8	0	0	0	0	110.9	A137 E138 V139 V143 T144 I145	A137-V141 WeakPolarHBondContact O-CG2 3.45Å; A137-V141 PolarHBondContact O-N 2.78Å; E138-V141 PolarHBondContact O-N 2.88Å; V139-V141 VanDerWaalsContact C-N 3.35Å; V139-V141 PolarHBondContact O-N 3.5Å; V141-V143 PolarHBondContact O-N 3Å; V141-T144 WeakPolarHBondContact CA-OG1 3.15Å; V141-T144 PolarHBondContact O-N 3.3Å; V141-T144 PolarHBondContact O-OG1 3.47Å; V141-I145 HydrophobicContact CG1-CD1 3.76Å; V141-I145 HydrophobicContact CG1-CG1 4.45Å; V141-I145 VanDerWaalsContact O-CG1 3.3Å; V141-I145 WeakPolarHBondContact O-CG1 3.42Å; V141-I145 PolarHBondContact O-N 2.78Å
142	L	97.3	Very high	94.4	Very high	91 Å²	91	104.2 Å²	104.2	48%	0.476	53%	0.532	S	S	.	.	H	α-helix	trans	-61.9	-44.3	177.8	-68.5	175.4	0	0	0	112.1	E138 V139 T144 I145 I146	E138-L142 HydrophobicContact CG-CD1 4.34Å; E138-L142 WeakPolarHBondContact O-CG 3.45Å; E138-L142 PolarHBondContact O-N 2.98Å; V139-L142 PolarHBondContact O-N 2.58Å; L142-T144 PolarHBondContact O-N 3.01Å; L142-I145 PolarHBondContact O-N 2.8Å; L142-I146 WeakPolarHBondContact O-CD1 3.41Å; L142-I146 VanDerWaalsContact O-CG1 3.25Å; L142-I146 WeakPolarHBondContact O-CG1 3.5Å; L142-I146 PolarHBondContact O-N 2.9Å
143	V	97.3	Very high	93.5	Very high	86 Å²	86	106.5 Å²	106.5	52%	0.521	54%	0.536	S	S	.	.	H	α-helix	trans	-62.3	-43.1	177.6	170.8	0	0	0	0	111.4	V139 L140 V141 I146 F147	V139-V143 HydrophobicContact CG1-CG2 4.41Å; V139-V143 VanDerWaalsContact O-CG2 3.29Å; V139-V143 WeakPolarHBondContact O-CG2 3.44Å; V139-V143 PolarHBondContact O-N 3.46Å; L140-V143 PolarHBondContact O-N 2.78Å; V141-V143 PolarHBondContact O-N 3Å; V143-I146 PolarHBondContact O-N 3.45Å; V143-F147 WeakPolarHBondContact O-CB 3.47Å; V143-F147 PolarHBondContact O-N 2.82Å
144	T	97.2	Very high	91.9	Very high	76 Å²	76	110.1 Å²	110.1	47%	0.466	55%	0.548	S	S	.	.	H	α-helix	trans	-66.1	-40.9	178.8	52.6	0	0	0	0	112.4	L140 V141 L142 F147 I148	L140-T144 VanDerWaalsContact O-CG2 3.29Å; L140-T144 WeakPolarHBondContact O-CG2 3.47Å; L140-T144 PolarHBondContact O-N 3.14Å; L140-T144 PolarHBondContact O-OG1 3.27Å; L140-T144 VanDerWaalsContact O-OG1 3.04Å; V141-T144 WeakPolarHBondContact CA-OG1 3.15Å; V141-T144 PolarHBondContact O-N 3.3Å; V141-T144 PolarHBondContact O-OG1 3.47Å; L142-T144 PolarHBondContact O-N 3.01Å; T144-F147 PolarHBondContact O-N 3.06Å; T144-I148 VanDerWaalsContact O-CG1 3.27Å; T144-I148 WeakPolarHBondContact O-CG1 3.47Å; T144-I148 PolarHBondContact O-N 2.82Å
145	I	96.8	Very high	90.2	Very high	100 Å²	100	112.9 Å²	112.9	51%	0.513	56%	0.558	S	S	.	*	H	α-helix	trans	-61.2	-47.8	175.3	-68.6	168.5	0	0	0	110.8	V141 L142 F147 I148 Y149	V141-I145 HydrophobicContact CG1-CD1 3.76Å; V141-I145 HydrophobicContact CG1-CG1 4.45Å; V141-I145 VanDerWaalsContact O-CG1 3.3Å; V141-I145 WeakPolarHBondContact O-CG1 3.42Å; V141-I145 PolarHBondContact O-N 2.78Å; L142-I145 PolarHBondContact O-N 2.8Å; I145-F147 PolarHBondContact O-N 3.45Å; I145-I148 PolarHBondContact O-N 2.93Å; I145-Y149 WeakPolarHBondContact O-CB 3.49Å; I145-Y149 PolarHBondContact O-N 3.3Å
146	I	95.9	Very high	88.2	Confident	94 Å²	94	116.7 Å²	116.7	48%	0.482	57%	0.574	S	S	.	*	H	α-helix	trans	-60.6	-45.7	178.7	-66.9	164.2	0	0	0	110.5	L142 V143 I148 Y149 E150	L142-I146 WeakPolarHBondContact O-CD1 3.41Å; L142-I146 VanDerWaalsContact O-CG1 3.25Å; L142-I146 WeakPolarHBondContact O-CG1 3.5Å; L142-I146 PolarHBondContact O-N 2.9Å; V143-I146 PolarHBondContact O-N 3.45Å; I146-I148 PolarHBondContact O-N 2.57Å; I146-Y149 WeakPolarHBondContact O-CB 3.36Å; I146-Y149 PolarHBondContact O-N 2.76Å; I146-E150 HydrophobicContact CG2-CG 4.41Å; I146-E150 WeakPolarHBondContact O-CG 3.32Å; I146-E150 PolarHBondContact O-N 3.28Å
147	F	95.7	Very high	86.2	Confident	135 Å²	135	120.6 Å²	120.6	59%	0.592	59%	0.592	S	S	*	*	H	α-helix	trans	-63.2	-43.2	179.5	-174.8	-98.6	0	0	0	112.7	V143 T144 I145 Y149 E150 K151	V143-F147 WeakPolarHBondContact O-CB 3.47Å; V143-F147 PolarHBondContact O-N 2.82Å; T144-F147 PolarHBondContact O-N 3.06Å; I145-F147 PolarHBondContact O-N 3.45Å; F147-Y149 VanDerWaalsContact C-N 3.32Å; F147-Y149 PolarHBondContact O-N 2.84Å; F147-E150 PolarHBondContact O-N 2.93Å; F147-K151 VanDerWaalsContact O-CB 3.25Å; F147-K151 WeakPolarHBondContact O-CB 3.28Å; F147-K151 PolarHBondContact O-N 3.2Å
148	I	95.1	Very high	84.3	Confident	100 Å²	100	122.9 Å²	122.9	51%	0.513	60%	0.6	S	S	.	*	H	α-helix	trans	-62.4	-43	175.1	-68.1	166.6	0	0	0	109.9	T144 I145 I146 K151 R152	T144-I148 VanDerWaalsContact O-CG1 3.27Å; T144-I148 WeakPolarHBondContact O-CG1 3.47Å; T144-I148 PolarHBondContact O-N 2.82Å; I145-I148 PolarHBondContact O-N 2.93Å; I146-I148 PolarHBondContact O-N 2.57Å; I148-K151 PolarHBondContact O-N 2.88Å; I148-R152 HydrophobicContact CG2-CG 4Å; I148-R152 WeakPolarHBondContact O-CB 3.2Å; I148-R152 WeakPolarHBondContact O-CG 3.35Å; I148-R152 PolarHBondContact O-N 2.83Å
149	Y	91.9	Very high	82.6	Confident	124 Å²	124	124.7 Å²	124.7	49%	0.486	61%	0.613	S	S	.	*	H	α-helix	trans	-60.8	-47.7	177.7	179.3	-99.2	0	0	0	112.2	I145 I146 F147 R152 R153	I145-Y149 WeakPolarHBondContact O-CB 3.49Å; I145-Y149 PolarHBondContact O-N 3.3Å; I146-Y149 WeakPolarHBondContact O-CB 3.36Å; I146-Y149 PolarHBondContact O-N 2.76Å; F147-Y149 VanDerWaalsContact C-N 3.32Å; F147-Y149 PolarHBondContact O-N 2.84Å; Y149-R152 PolarHBondContact O-N 2.83Å; Y149-R153 WeakPolarHBondContact O-CB 3.46Å; Y149-R153 PolarHBondContact O-N 2.84Å; Y149-R153 PolarHBondContact OH-NE 2.6Å; Y149-R153 VanDerWaalsContact OH-NE 3.14Å; Y149-R153 PolarHBondContact OH-NH1 3.5Å; Y149-R153 PolarHBondContact OH-NH2 2.77Å
150	E	90.3	Very high	80.6	Confident	115 Å²	115	127.4 Å²	127.4	54%	0.537	63%	0.625	S	S	.	*	H	α-helix	trans	-63.6	-42.1	176.9	-72.8	-173.7	168.9	0	0	112.1	I146 F147 R153	I146-E150 HydrophobicContact CG2-CG 4.41Å; I146-E150 WeakPolarHBondContact O-CG 3.32Å; I146-E150 PolarHBondContact O-N 3.28Å; F147-E150 PolarHBondContact O-N 2.93Å; E150-R153 PolarHBondContact O-N 3Å
151	K	85.3	Confident	78.5	Confident	155 Å²	155	129.4 Å²	129.4	67%	0.674	64%	0.636	S	S	*	*	H	α-helix	trans	-68.1	-36.1	178.7	-170.4	65.1	177.8	-178.6	0	112	F147 I148	F147-K151 VanDerWaalsContact O-CB 3.25Å; F147-K151 WeakPolarHBondContact O-CB 3.28Å; F147-K151 PolarHBondContact O-N 3.2Å; I148-K151 PolarHBondContact O-N 2.88Å
152	R	74.1	Confident	76.3	Confident	202 Å²	202	133.8 Å²	133.8	76%	0.762	66%	0.657	S	S	*	*	H	α-helix	trans	-75.9	-23.5	177.2	-71.9	-73.8	-172.7	177	1.7	113.3	I148 Y149 K154 P155	I148-R152 HydrophobicContact CG2-CG 4Å; I148-R152 WeakPolarHBondContact O-CB 3.2Å; I148-R152 WeakPolarHBondContact O-CG 3.35Å; I148-R152 PolarHBondContact O-N 2.83Å; Y149-R152 PolarHBondContact O-N 2.83Å; R152-K154 VanDerWaalsContact C-N 3.31Å; R152-P155 WeakPolarHBondContact O-CD 3.29Å
153	R	75.1	Confident	74.4	Confident	180 Å²	180	137.1 Å²	137.1	68%	0.679	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.2	-10.6	174.8	-103.6	-173	170.4	-173.3	-1.7	114.8	Y149 E150	Y149-R153 WeakPolarHBondContact O-CB 3.46Å; Y149-R153 PolarHBondContact O-N 2.84Å; Y149-R153 PolarHBondContact OH-NE 2.6Å; Y149-R153 VanDerWaalsContact OH-NE 3.14Å; Y149-R153 PolarHBondContact OH-NH1 3.5Å; Y149-R153 PolarHBondContact OH-NH2 2.77Å; E150-R153 PolarHBondContact O-N 3Å
154	K	59.7	Low	72	Confident	184 Å²	184	136.8 Å²	136.8	80%	0.8	68%	0.681	S	S	*	*	S	Bend	trans	-91	27.3	-177.7	-75.1	-168.2	176.6	-176.7	0	117.4	R152	R152-K154 VanDerWaalsContact C-N 3.31Å
155	P	58.1	Low	70	Confident	99 Å²	99	136.9 Å²	136.9	64%	0.643	70%	0.697	S	S	*	*	S	Bend	trans	-136.1	72.8	157.6	38.1	-21.4	0	0	0	111.9	R152	R152-P155 WeakPolarHBondContact O-CD 3.29Å
156	E	56.6	Low	67.5	Low	177 Å²	177	137.8 Å²	137.8	83%	0.827	71%	0.713	S	S	*	*			trans	-157.6	66.3	147.5	-78.4	-149.3	155.6	0	0	107.6
157	D	55.6	Low	65.2	Low	169 Å²	169	137.9 Å²	137.9	90%	0.904	73%	0.727	S	S	*	*			trans	-82.8	107.3	149.4	-91.8	-36	0	0	0	105.4	L159	D157-L159 PolarHBondContact O-N 3.27Å
158	V	57.1	Low	63.4	Low	98 Å²	98	136.9 Å²	136.9	59%	0.594	73%	0.734	S	S	*	*			trans	-57.8	125.1	179.5	-178.3	0	0	0	0	109.2	D160	V158-D160 VanDerWaalsContact C-N 3.3Å; V158-D160 HydrophobicContact CG1-CB 4.19Å; V158-D160 VanDerWaalsContact CG1-OD2 3.23Å; V158-D160 WeakPolarHBondContact CG1-OD2 3.46Å; V158-D160 PolarHBondContact O-N 2.72Å; V158-D160 VanDerWaalsContact O-N 3.14Å
159	L	61.1	Low	60.8	Low	165 Å²	165	140.9 Å²	140.9	86%	0.864	76%	0.756	S	S	*	*			trans	-72.5	90.7	157.5	-68.8	168.8	0	0	0	106.5	D157	D157-L159 PolarHBondContact O-N 3.27Å
160	D	56.1	Low	58.6	Low	136 Å²	136	144.6 Å²	144.6	73%	0.727	77%	0.774	S	S	*	*			trans	-98.8	105.5	163.8	-84	-37.8	0	0	0	107	V158 D162	V158-D160 VanDerWaalsContact C-N 3.3Å; V158-D160 HydrophobicContact CG1-CB 4.19Å; V158-D160 VanDerWaalsContact CG1-OD2 3.23Å; V158-D160 WeakPolarHBondContact CG1-OD2 3.46Å; V158-D160 PolarHBondContact O-N 2.72Å; V158-D160 VanDerWaalsContact O-N 3.14Å; D160-D162 PolarHBondContact O-N 3.26Å
161	D	54	Low	56	Low	152 Å²	152	144.5 Å²	144.5	81%	0.813	79%	0.786	S	S	*	*			trans	-58.5	122	173	-68	-57.7	0	0	0	109.8	D163	D161-D163 VanDerWaalsContact C-N 3.28Å; D161-D163 PolarHBondContact O-N 3.33Å
162	D	52.1	Low	53.6	Low	171 Å²	171	142.6 Å²	142.6	91%	0.914	79%	0.793	S	S	*	*			trans	-65.6	87.1	167.7	-76.7	-55.5	0	0	0	109.2	D160 A164	D160-D162 PolarHBondContact O-N 3.26Å; D162-A164 PolarHBondContact O-N 3.37Å
163	D	57.2	Low	51.9	Low	161 Å²	161	136.2 Å²	136.2	86%	0.861	79%	0.79	S	S	*	*			trans	-72.4	115.9	173.5	-153.3	3.4	0	0	0	109.6	D161 G165	D161-D163 VanDerWaalsContact C-N 3.28Å; D161-D163 PolarHBondContact O-N 3.33Å; D163-G165 PolarHBondContact O-N 2.98Å
164	A	48.3	Very low	50.1	Low	79 Å²	79	137 Å²	137	65%	0.653	80%	0.802	S	S	*	*			trans	-59.8	133	-175.5	0	0	0	0	0	110.9	D162 S166	D162-A164 PolarHBondContact O-N 3.37Å; A164-S166 PolarHBondContact O-N 3.04Å
165	G	53.6	Low	49.2	Very low	78 Å²	78	135.2 Å²	135.2	80%	0.804	80%	0.795	S	S	*	*			trans	-49.6	124.9	174.9	0	0	0	0	0	112.8	D163	D163-G165 PolarHBondContact O-N 2.98Å
166	S	45.3	Very low	48.4	Very low	120 Å²	120	137.4 Å²	137.4	84%	0.839	80%	0.797	S	S	*	*			trans	-142.3	111.1	155.3	-72	0	0	0	0	108.4	A164	A164-S166 PolarHBondContact O-N 3.04Å
167	A	46.3	Very low	47.6	Very low	95 Å²	95	136 Å²	136	79%	0.785	80%	0.795	S	S	*	*			trans	-74.8	-171.4	175.2	0	0	0	0	0	111.4
168	P	58	Low	47.2	Very low	114 Å²	114	133.8 Å²	133.8	74%	0.74	78%	0.784	S	S	*	*				-125.6	150.2	-74.6	35.3	-20.7	0	0	0	111.1
169	L	41.6	Very low	46.5	Very low	184 Å²	184	138.1 Å²	138.1	96%	0.963	79%	0.794	S	S	*	*			trans	-126	108.2	164.6	-74.9	175.5	0	0	0	113.1
170	K	46.2	Very low	45.9	Very low	202 Å²	202	133.5 Å²	133.5	88%	0.878	79%	0.787	S	S	*	*			trans	-48.5	129.8	166.7	-175.4	179.2	-170.7	177	0	113.3
171	S	34.4	Very low	45.7	Very low	113 Å²	113	136.1 Å²	136.1	79%	0.79	79%	0.792	S	S	*	*			trans	-161.9	107.6	142.5	-169.7	0	0	0	0	112.3
172	S	36	Very low	45.2	Very low	116 Å²	116	135.7 Å²	135.7	81%	0.811	79%	0.789	S	S	*	*			trans	26.4	120.9	142.9	-61.2	0	0	0	0	121.8
173	G	37.3	Very low	45.1	Very low	68 Å²	68	133.7 Å²	133.7	70%	0.701	78%	0.783	S	S	*	*				119.5	123.8	112.6	0	0	0	0	0	118.7
174	Q	37.5	Very low	45.3	Very low	197 Å²	197	135.2 Å²	135.2	92%	0.921	78%	0.777	S	S	*	*			trans	78.3	145.2	155.4	-67	171.1	-53.9	0	0	117.8
175	H	40.8	Very low	45.6	Very low	145 Å²	145	139.9 Å²	139.9	67%	0.671	79%	0.785	S	S	*	*			cis	176.2	138.8	-15.1	-175.8	-134.9	0	0	0	105
176	Q	42.6	Very low	45.8	Very low	145 Å²	145	145.9 Å²	145.9	68%	0.678	78%	0.783	S	S	*	*			trans	80.7	120.5	161.5	-66.5	167.5	119.9	0	0	119.1
177	N	39.8	Very low	45.8	Very low	148 Å²	148	148 Å²	148	79%	0.791	79%	0.786	S	S	*	*				57.7	134	81.8	-76.9	-7.1	0	0	0	111.7
178	D	45.3	Very low	46	Very low	123 Å²	123	148.5 Å²	148.5	66%	0.658	78%	0.783	S	S	*	*			cis	-169	134.5	37.7	-156.7	-104.6	0	0	0	108.1
179	K	42.7	Very low	45.6	Very low	188 Å²	188	152.5 Å²	152.5	82%	0.817	81%	0.814	S	S	*	*				46.5	125	126.1	-125.5	168.8	-167.8	170.2	0	120.5
180	G	49	Very low	45.8	Very low	69 Å²	69	151 Å²	151	71%	0.711	81%	0.807	S	S	*	*			trans	-77.5	-171.2	-179.7	0	0	0	0	0	117.9
181	K	51.1	Low	45.8	Very low	190 Å²	190	148.3 Å²	148.3	83%	0.826	80%	0.803	S	S	*	*			trans	155	145.3	166.6	-89	167.2	-177.5	179.7	0	106.2
182	N	43.5	Very low	46.4	Very low	143 Å²	143	150.2 Å²	150.2	77%	0.765	80%	0.804	S	S	*	*			cis	-165.8	152.9	1.6	-95.5	-28.7	0	0	0	108.8
183	V	51.5	Low	47	Very low	129 Å²	129	152.2 Å²	152.2	78%	0.782	80%	0.803	S	S	*	*			trans	-59.9	143.7	169	170.9	0	0	0	0	112.4
184	R	60	Low	47.7	Very low	194 Å²	194	157.5 Å²	157.5	73%	0.732	81%	0.809	S	S	*	*			trans	-137.4	97	160.4	-168.2	175.8	-170.8	176.1	4.9	110.7
185	Q	55.9	Low	48.3	Very low	176 Å²	176	154.9 Å²	154.9	82%	0.822	80%	0.802	S	S	*	*			trans	-76.4	141.5	161	-83.6	179.7	-54.4	0	0	109.9
186	R	56.6	Low	48.9	Very low	204 Å²	204	155.6 Å²	155.6	77%	0.77	81%	0.811	S	S	*	*			trans	-137.9	121.5	150.9	-77.6	-171.2	175	168.7	-7.8	109.4
187	N	45.8	Very low	49.4	Very low	166 Å²	166	156.4 Å²	156.4	89%	0.888	82%	0.822	S	S	*	*			trans	-78.7	151.4	167.5	-165.2	14.6	0	0	0	109.2
188	S	50.3	Low	50.1	Low	104 Å²	104	157.1 Å²	157.1	73%	0.727	82%	0.824	S	S	*	*			trans	-123.7	130	173.9	53.5	0	0	0	0	109.7
189	S	50	Low	50.6	Low	199 Å²	199	160.2 Å²	160.2	100%	1.392	84%	0.839	S	S	*	*			trans	-68.5	0	165.5	-58.8	0	0	0	0	111.8

Retrieved 189 of 189 residues in 198.3 ms (Link to these results)

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