A0A3Q0KMH4_SCHMA Loading...

Centrin-related AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KMH4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 175 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	48.3	Very low	51.7	Low	236 Å²	236	163.4 Å²	163.4	100%	1.163	87%	0.865	S	S	*	*				0	88.6	0	-61.6	-177.8	177.8	0	0	105.8
2	S	50.6	Low	51.5	Low	113 Å²	113	160.1 Å²	160.1	79%	0.79	86%	0.86	S	S	*	*				60.8	116.3	94.5	-47.5	0	0	0	0	109.9
3	T	55.1	Low	51.1	Low	127 Å²	127	156.9 Å²	156.9	78%	0.779	86%	0.858	S	S	*	*			cis	-161.1	145.2	25	37.4	0	0	0	0	110.4
4	V	47.3	Very low	50.7	Low	147 Å²	147	151.1 Å²	151.1	89%	0.891	85%	0.852	S	S	*	*	P	Polyproline II helix	trans	-80.6	129.6	167.5	166.4	0	0	0	0	109.2
5	T	59.4	Low	50.7	Low	133 Å²	133	154.3 Å²	154.3	82%	0.816	85%	0.853	S	S	*	*	P	Polyproline II helix	trans	-94.7	121.7	173.7	-61.2	0	0	0	0	110.7
6	K	58.5	Low	50.4	Low	197 Å²	197	157.5 Å²	157.5	86%	0.857	86%	0.856	S	S	*	*	P	Polyproline II helix	trans	-69.3	140.3	178.8	-118.3	178.4	172.4	-171.1	0	112.3
7	R	49	Very low	50.1	Low	231 Å²	231	159.6 Å²	159.6	87%	0.872	86%	0.855	S	S	*	*			trans	-97	-172.9	153.7	-84.1	-169.5	-174.7	-151.3	2.6	108.7
8	P	47.4	Very low	49.6	Very low	110 Å²	110	160.9 Å²	160.9	71%	0.714	86%	0.855	S	S	*	*				-130.7	176.7	-55.7	36.7	-21	0	0	0	110.6
9	S	54.4	Low	49.2	Very low	123 Å²	123	160.5 Å²	160.5	86%	0.86	85%	0.851	S	S	*	*			trans	-159.3	119.9	154.9	-32	0	0	0	0	111.7
10	Q	49.6	Very low	48.5	Very low	194 Å²	194	157 Å²	157	91%	0.907	85%	0.846	S	S	*	*			trans	-75.2	139.4	163.5	-72.5	166.7	-61.1	0	0	109.1
11	Q	48.9	Very low	48.1	Very low	186 Å²	186	154.2 Å²	154.2	87%	0.869	84%	0.838	S	S	*	*			trans	-113.2	124.7	158	-83	-177.8	-54.8	0	0	108
12	P	49.1	Very low	47.7	Very low	124 Å²	124	154 Å²	154	81%	0.805	82%	0.824	S	S	*	*			trans	-85.8	124	162.3	30.4	-23.8	0	0	0	109.3	G14	P12-G14 PolarHBondContact O-N 3.16Å; P12-G14 VanDerWaalsContact O-N 3.16Å
13	S	46.8	Very low	47	Very low	119 Å²	119	151 Å²	151	83%	0.832	81%	0.811	S	S	*	*			trans	-69	104.1	175.2	-46.5	0	0	0	0	110.5	K15	S13-K15 PolarHBondContact O-N 3.25Å
14	G	46.1	Very low	46.4	Very low	75 Å²	75	150.4 Å²	150.4	77%	0.773	81%	0.808	S	S	*	*			trans	-69.7	109.5	169.9	0	0	0	0	0	111	P12 K16	P12-G14 PolarHBondContact O-N 3.16Å; P12-G14 VanDerWaalsContact O-N 3.16Å; G14-K16 PolarHBondContact O-N 3.27Å
15	K	49.8	Very low	46.6	Very low	200 Å²	200	152.6 Å²	152.6	87%	0.87	81%	0.805	S	S	*	*			trans	-76.1	98.7	163.4	-75.8	-177.8	177	178.8	0	108	S13 K17	S13-K15 PolarHBondContact O-N 3.25Å; K15-K17 PolarHBondContact O-N 3.12Å; K15-K17 VanDerWaalsContact O-N 3.12Å
16	K	47	Very low	46.6	Very low	205 Å²	205	151.8 Å²	151.8	89%	0.891	79%	0.792	S	S	*	*			trans	-61	108.9	160.3	-80.8	-176.4	172.3	-173.9	0	107.6	G14 E18	G14-K16 PolarHBondContact O-N 3.27Å; K16-E18 PolarHBondContact O-N 3.31Å
17	K	45	Very low	47.3	Very low	194 Å²	194	149.4 Å²	149.4	84%	0.843	78%	0.784	S	S	*	*			trans	-73.8	106.3	162.4	-81.9	-179	173.7	179	0	106.5	K15 I19	K15-K17 PolarHBondContact O-N 3.12Å; K15-K17 VanDerWaalsContact O-N 3.12Å; K17-I19 PolarHBondContact O-N 2.79Å; K17-I19 VanDerWaalsContact O-N 3.14Å
18	E	40	Very low	49	Very low	182 Å²	182	138.8 Å²	138.8	85%	0.85	74%	0.744	S	S	*	*			trans	-52.7	114.4	157.8	-89.4	172.5	85	0	0	108.1	K16 A20	K16-E18 PolarHBondContact O-N 3.31Å; E18-A20 PolarHBondContact O-N 3.17Å
19	I	42.7	Very low	51	Low	154 Å²	154	136.7 Å²	136.7	79%	0.79	73%	0.73	S	S	*	*			trans	-74.5	78.6	167.4	-54.8	172.4	0	0	0	105.9	K17 S21	K17-I19 PolarHBondContact O-N 2.79Å; K17-I19 VanDerWaalsContact O-N 3.14Å; I19-S21 VanDerWaalsContact C-N 3.33Å; I19-S21 PolarHBondContact O-N 2.8Å
20	A	35.6	Very low	52.8	Low	90 Å²	90	137.1 Å²	137.1	74%	0.744	72%	0.718	S	S	*	*			trans	-85	78.2	169	0	0	0	0	0	108.6	E18	E18-A20 PolarHBondContact O-N 3.17Å
21	S	40.4	Very low	54.8	Low	98 Å²	98	133.6 Å²	133.6	69%	0.685	71%	0.705	S	S	*	*			trans	-107.4	92.4	162.5	-174.3	0	0	0	0	108.2	I19 G23	I19-S21 VanDerWaalsContact C-N 3.33Å; I19-S21 PolarHBondContact O-N 2.8Å; S21-G23 PolarHBondContact O-N 3.29Å
22	R	38.9	Very low	56.9	Low	231 Å²	231	126.1 Å²	126.1	87%	0.872	67%	0.67	S	S	*	*			trans	-51.5	128.9	166.2	-78.3	168.5	147.3	165.1	-7.9	108.8	V24	R22-V24 PolarHBondContact O-N 3.14Å
23	G	36.2	Very low	59	Low	50 Å²	50	122.7 Å²	122.7	52%	0.515	64%	0.643	S	S	.	*			trans	-44.9	111.2	171.4	0	0	0	0	0	110.8	S21 K25	S21-G23 PolarHBondContact O-N 3.29Å; G23-K25 VanDerWaalsContact C-N 3.3Å; G23-K25 PolarHBondContact O-N 2.93Å
24	V	42.7	Very low	61.2	Low	116 Å²	116	121.3 Å²	121.3	70%	0.703	62%	0.623	S	S	*	*			trans	-69.5	97.5	168.6	178.3	0	0	0	0	104.4	R22 H26	R22-V24 PolarHBondContact O-N 3.14Å; V24-H26 PolarHBondContact O-N 2.91Å
25	K	50.5	Low	63.5	Low	193 Å²	193	122.5 Å²	122.5	84%	0.839	61%	0.609	S	S	*	*			trans	-59.5	95.4	164.6	-69.4	-173.5	176.7	-171.9	0	106.3	G23 E27	G23-K25 VanDerWaalsContact C-N 3.3Å; G23-K25 PolarHBondContact O-N 2.93Å; K25-E27 PolarHBondContact O-N 3.17Å
26	H	59.7	Low	65.7	Low	116 Å²	116	113 Å²	113	54%	0.537	57%	0.567	S	S	.	*			trans	-66.8	105.5	178.4	-139	71.5	0	0	0	106.4	V24 Q101	V24-H26 PolarHBondContact O-N 2.91Å; H26-Q101 PolarHBondContact O-NE2 3.36Å
27	E	74.5	Confident	67.9	Low	146 Å²	146	108.7 Å²	108.7	68%	0.682	55%	0.545	S	S	*	.	P	Polyproline II helix	trans	-62.6	141	170.3	-167.4	177.2	125.5	0	0	108	K25 T29 K33	K25-E27 PolarHBondContact O-N 3.17Å; E27-T29 PolarHBondContact O-N 3.46Å; E27-K33 IonicContact OE1-NZ 2.65Å; E27-K33 PolarHBondContact OE1-NZ 3.2Å
28	L	84.2	Confident	70.3	Confident	9 Å²	9	104.8 Å²	104.8	5%	0.047	53%	0.53	C	S	.	.	P	Polyproline II helix	trans	-56.7	140.6	176.2	-66.7	-176.5	0	0	0	110.7	Q32 K33 I36 L93 S97 M100	L28-Q32 VanDerWaalsContact CA-OE1 3.31Å; L28-Q32 HydrophobicContact CB-CB 4.11Å; L28-Q32 HydrophobicContact CD2-CB 4.2Å; L28-K33 HydrophobicContact CB-CG 3.88Å; L28-K33 HydrophobicContact CD1-CG 4.24Å; L28-K33 VanDerWaalsContact O-CE 3.32Å; L28-K33 WeakPolarHBondContact O-CE 3.44Å; L28-I36 HydrophobicContact CD1-CD1 3.34Å; L28-L93 HydrophobicContact CD1-CD1 4.33Å; L28-S97 WeakPolarHBondContact CD1-OG 3.47Å; L28-M100 HydrophobicContact CD1-SD 4.5Å; L28-M100 HydrophobicContact CD2-CB 3.86Å; L28-M100 HydrophobicContact CD2-SD 4.02Å
29	T	89.9	Confident	72.9	Confident	66 Å²	66	96.4 Å²	96.4	41%	0.405	49%	0.492	S	S	.	.	P	Polyproline II helix	trans	-65.9	159.1	169.5	70.4	0	0	0	0	110.3	E27 D31 Q32 K33	E27-T29 PolarHBondContact O-N 3.46Å; T29-D31 PolarHBondContact O-N 3.37Å; T29-Q32 PolarHBondContact O-N 2.93Å; T29-Q32 VanDerWaalsContact O-N 3.14Å; T29-Q32 WeakPolarHBondContact OG1-CG 3.46Å; T29-Q32 PolarHBondContact OG1-N 3.2Å; T29-Q32 VanDerWaalsContact OG1-N 3.15Å; T29-K33 WeakPolarHBondContact O-CG 3.23Å; T29-K33 PolarHBondContact O-N 3.05Å
30	E	91.5	Very high	75.4	Confident	131 Å²	131	89.2 Å²	89.2	61%	0.612	46%	0.455	S	S	*	.	H	α-helix	trans	-61	-33.6	176.1	-64.8	-58.4	116	0	0	111.7	K33 Q34	E30-K33 PolarHBondContact O-N 3.32Å; E30-K33 WeakPolarHBondContact OE1-CD 3.34Å; E30-K33 IonicContact OE1-NZ 3.66Å; E30-K33 PolarHBondContact OE1-NZ 2.82Å; E30-Q34 VanDerWaalsContact O-CB 3.32Å; E30-Q34 WeakPolarHBondContact O-CB 3.46Å; E30-Q34 PolarHBondContact O-N 2.67Å
31	D	92.2	Very high	78.1	Confident	121 Å²	121	87.6 Å²	87.6	65%	0.647	43%	0.434	S	S	*	.	H	α-helix	trans	-63.6	-44.7	173.6	-62.9	-31.6	0	0	0	111.4	T29 K33 Q34 E35	T29-D31 PolarHBondContact O-N 3.37Å; D31-K33 PolarHBondContact O-N 3Å; D31-Q34 WeakPolarHBondContact O-CB 3.49Å; D31-Q34 PolarHBondContact O-N 3.26Å; D31-E35 WeakPolarHBondContact O-CG 3.44Å; D31-E35 PolarHBondContact O-N 3.01Å
32	Q	91.4	Very high	80.6	Confident	29 Å²	29	88.2 Å²	88.2	14%	0.136	43%	0.429	C	S	.	.	H	α-helix	trans	-63.2	-41.5	175.7	-72.5	175.1	-41.6	0	0	111.9	L28 T29 Q34 E35 I36 M100 D104	L28-Q32 VanDerWaalsContact CA-OE1 3.31Å; L28-Q32 HydrophobicContact CB-CB 4.11Å; L28-Q32 HydrophobicContact CD2-CB 4.2Å; T29-Q32 PolarHBondContact O-N 2.93Å; T29-Q32 VanDerWaalsContact O-N 3.14Å; T29-Q32 WeakPolarHBondContact OG1-CG 3.46Å; T29-Q32 PolarHBondContact OG1-N 3.2Å; T29-Q32 VanDerWaalsContact OG1-N 3.15Å; Q32-Q34 VanDerWaalsContact C-N 3.29Å; Q32-Q34 PolarHBondContact O-N 2.89Å; Q32-E35 PolarHBondContact O-N 3.22Å; Q32-I36 VanDerWaalsContact O-CG1 3.25Å; Q32-I36 WeakPolarHBondContact O-CG1 3.24Å; Q32-I36 PolarHBondContact O-N 2.92Å; Q32-M100 HydrophobicContact CB-CE 3.91Å; Q32-M100 HydrophobicContact CB-SD 4.18Å; Q32-M100 HydrophobicContact CG-CE 3.69Å; Q32-M100 HydrophobicContact CG-SD 4.45Å; Q32-D104 PolarHBondContact NE2-OD2 3.44Å
33	K	93.4	Very high	83	Confident	51 Å²	51	79 Å²	79	22%	0.222	40%	0.396	C	S	.	.	H	α-helix	trans	-62.6	-38.8	175.1	-67.7	174.5	-169.9	164.4	0	111.2	E27 L28 T29 E30 D31 I36 R37 L93	E27-K33 IonicContact OE1-NZ 2.65Å; E27-K33 PolarHBondContact OE1-NZ 3.2Å; L28-K33 HydrophobicContact CB-CG 3.88Å; L28-K33 HydrophobicContact CD1-CG 4.24Å; L28-K33 VanDerWaalsContact O-CE 3.32Å; L28-K33 WeakPolarHBondContact O-CE 3.44Å; T29-K33 WeakPolarHBondContact O-CG 3.23Å; T29-K33 PolarHBondContact O-N 3.05Å; E30-K33 PolarHBondContact O-N 3.32Å; E30-K33 WeakPolarHBondContact OE1-CD 3.34Å; E30-K33 IonicContact OE1-NZ 3.66Å; E30-K33 PolarHBondContact OE1-NZ 2.82Å; D31-K33 PolarHBondContact O-N 3Å; K33-I36 PolarHBondContact O-N 3.14Å; K33-R37 PolarHBondContact O-N 2.69Å; K33-L93 HydrophobicContact CG-CD1 4.46Å
34	Q	94.4	Very high	85.6	Confident	90 Å²	90	76.9 Å²	76.9	42%	0.421	37%	0.372	S	S	.	.	H	α-helix	trans	-67.6	-43.9	177	-177.1	57.6	36.1	0	0	111.7	E30 D31 Q32 I36 R37 E38	E30-Q34 VanDerWaalsContact O-CB 3.32Å; E30-Q34 WeakPolarHBondContact O-CB 3.46Å; E30-Q34 PolarHBondContact O-N 2.67Å; D31-Q34 WeakPolarHBondContact O-CB 3.49Å; D31-Q34 PolarHBondContact O-N 3.26Å; Q32-Q34 VanDerWaalsContact C-N 3.29Å; Q32-Q34 PolarHBondContact O-N 2.89Å; Q34-I36 VanDerWaalsContact C-N 3.34Å; Q34-I36 PolarHBondContact O-N 3.32Å; Q34-R37 WeakPolarHBondContact O-CB 3.41Å; Q34-R37 PolarHBondContact O-N 2.86Å; Q34-R37 VanDerWaalsContact O-N 3.11Å; Q34-E38 PolarHBondContact NE2-OE1 3.21Å; Q34-E38 WeakPolarHBondContact O-CG 3.36Å; Q34-E38 PolarHBondContact O-N 3.43Å
35	E	94.1	Very high	87.5	Confident	100 Å²	100	76.8 Å²	76.8	47%	0.467	37%	0.372	S	S	.	.	H	α-helix	trans	-58	-44.8	173.4	-74.3	176.9	-153.8	0	0	111.8	D31 Q32 R37 E38 A39 L63	D31-E35 WeakPolarHBondContact O-CG 3.44Å; D31-E35 PolarHBondContact O-N 3.01Å; Q32-E35 PolarHBondContact O-N 3.22Å; E35-R37 VanDerWaalsContact C-N 3.3Å; E35-R37 PolarHBondContact O-N 3.03Å; E35-E38 PolarHBondContact O-N 3.41Å; E35-A39 WeakPolarHBondContact O-CB 3.49Å; E35-A39 PolarHBondContact O-N 3.19Å; E35-L63 HydrophobicContact CB-CD2 4.24Å
36	I	94.8	Very high	89.3	Confident	0 Å²	0	73.1 Å²	73.1	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-60	-42.4	175.4	-67.8	167.3	0	0	0	110.7	L28 Q32 K33 Q34 A39 F40 L63 F89 F92 L93 M96 M100	L28-I36 HydrophobicContact CD1-CD1 3.34Å; Q32-I36 VanDerWaalsContact O-CG1 3.25Å; Q32-I36 WeakPolarHBondContact O-CG1 3.24Å; Q32-I36 PolarHBondContact O-N 2.92Å; K33-I36 PolarHBondContact O-N 3.14Å; Q34-I36 VanDerWaalsContact C-N 3.34Å; Q34-I36 PolarHBondContact O-N 3.32Å; I36-A39 PolarHBondContact O-N 2.95Å; I36-F40 WeakPolarHBondContact O-CB 3.33Å; I36-F40 PolarHBondContact O-N 3.14Å; I36-L63 HydrophobicContact CG1-CD1 4.08Å; I36-L63 HydrophobicContact CG1-CD2 4.3Å; I36-F89 HydrophobicContact CG2-CE2 4.24Å; I36-F92 HydrophobicContact CG2-CD1 3.68Å; I36-F92 HydrophobicContact CG2-CE1 3.63Å; I36-F92 WeakPolarHBondContact O-CE1 3.24Å; I36-L93 HydrophobicContact CB-CD1 4.26Å; I36-L93 HydrophobicContact CD1-CD1 3.79Å; I36-L93 HydrophobicContact CG2-CB 4.5Å; I36-L93 HydrophobicContact CG2-CD1 3.87Å; I36-M96 HydrophobicContact CD1-CB 3.68Å; I36-M96 HydrophobicContact CG1-CB 3.86Å; I36-M96 HydrophobicContact CG2-CB 4.12Å; I36-M96 HydrophobicContact CG2-CG 4.3Å; I36-M100 HydrophobicContact CD1-SD 3.67Å; I36-M100 HydrophobicContact CG1-SD 3.94Å
37	R	94.8	Very high	90.6	Very high	115 Å²	115	73.9 Å²	73.9	43%	0.434	36%	0.363	S	S	.	.	H	α-helix	trans	-63.5	-45.8	177.4	-170.1	178.9	-173	98.4	9.1	112.1	K33 Q34 E35 A39 F40 D41 F89	K33-R37 PolarHBondContact O-N 2.69Å; Q34-R37 WeakPolarHBondContact O-CB 3.41Å; Q34-R37 PolarHBondContact O-N 2.86Å; Q34-R37 VanDerWaalsContact O-N 3.11Å; E35-R37 VanDerWaalsContact C-N 3.3Å; E35-R37 PolarHBondContact O-N 3.03Å; R37-A39 VanDerWaalsContact C-N 3.34Å; R37-A39 PolarHBondContact O-N 3.41Å; R37-F40 WeakPolarHBondContact O-CB 3.35Å; R37-F40 PolarHBondContact O-N 2.88Å; R37-D41 IonicContact NE-OD2 3.17Å; R37-D41 WeakPolarHBondContact O-CB 3.43Å; R37-D41 PolarHBondContact O-N 3.41Å; R37-F89 HydrophobicContact CB-CE2 3.97Å; R37-F89 HydrophobicContact CB-CZ 3.86Å; R37-F89 HydrophobicContact CG-CE2 4.12Å; R37-F89 HydrophobicContact CG-CZ 4.03Å
38	E	94.5	Very high	91.4	Very high	112 Å²	112	69.7 Å²	69.7	52%	0.523	35%	0.35	S	S	.	.	H	α-helix	trans	-63	-41.6	178.3	-72.2	174.2	-168.3	0	0	111.8	Q34 E35 F40 D41 L42	Q34-E38 PolarHBondContact NE2-OE1 3.21Å; Q34-E38 WeakPolarHBondContact O-CG 3.36Å; Q34-E38 PolarHBondContact O-N 3.43Å; E35-E38 PolarHBondContact O-N 3.41Å; E38-F40 VanDerWaalsContact C-N 3.33Å; E38-F40 PolarHBondContact O-N 3.04Å; E38-D41 PolarHBondContact O-N 3.12Å; E38-L42 WeakPolarHBondContact O-CB 3.49Å; E38-L42 PolarHBondContact O-N 3.09Å
39	A	94.7	Very high	91.7	Very high	7 Å²	7	70.9 Å²	70.9	6%	0.058	36%	0.364	C	S	.	.	H	α-helix	trans	-62	-40.6	174.2	0	0	0	0	0	111.8	E35 I36 R37 F43 A62 L63	E35-A39 WeakPolarHBondContact O-CB 3.49Å; E35-A39 PolarHBondContact O-N 3.19Å; I36-A39 PolarHBondContact O-N 2.95Å; R37-A39 VanDerWaalsContact C-N 3.34Å; R37-A39 PolarHBondContact O-N 3.41Å; A39-F43 WeakPolarHBondContact O-CD2 3.25Å; A39-A62 HydrophobicContact CB-CB 4.22Å; A39-L63 HydrophobicContact CB-CD1 4.08Å; A39-L63 HydrophobicContact CB-CD2 3.69Å; A39-L63 HydrophobicContact CB-CG 3.62Å
40	F	95.1	Very high	91.9	Very high	2 Å²	2	69.5 Å²	69.5	1%	0.009	36%	0.356	C	S	.	.	H	α-helix	trans	-65	-51.5	175.5	-174.6	-87.7	0	0	0	111.8	I36 R37 E38 L42 F43 D44 G49 I51 F89 F92	I36-F40 WeakPolarHBondContact O-CB 3.33Å; I36-F40 PolarHBondContact O-N 3.14Å; R37-F40 WeakPolarHBondContact O-CB 3.35Å; R37-F40 PolarHBondContact O-N 2.88Å; E38-F40 VanDerWaalsContact C-N 3.33Å; E38-F40 PolarHBondContact O-N 3.04Å; F40-L42 PolarHBondContact O-N 3.29Å; F40-F43 PolarHBondContact O-N 3.49Å; F40-D44 HydrophobicContact CD1-CB 4.11Å; F40-D44 HydrophobicContact CE1-CB 3.82Å; F40-D44 PolarHBondContact O-N 3.28Å; F40-G49 WeakPolarHBondContact CZ-O 3.44Å; F40-I51 HydrophobicContact CD2-CD1 3.86Å; F40-I51 HydrophobicContact CD2-CG1 4.22Å; F40-I51 HydrophobicContact CD2-CG2 4.09Å; F40-I51 HydrophobicContact CE1-CG2 4.41Å; F40-I51 HydrophobicContact CE2-CB 4.3Å; F40-I51 HydrophobicContact CE2-CD1 3.95Å; F40-I51 HydrophobicContact CE2-CG1 3.78Å; F40-I51 HydrophobicContact CE2-CG2 3.8Å; F40-I51 HydrophobicContact CZ-CG2 3.97Å; F40-F89 HydrophobicContact CB-CD2 3.83Å; F40-F89 HydrophobicContact CB-CE2 4.16Å; F40-F89 HydrophobicContact CD1-CB 4.23Å; F40-F89 AromaticContact CD1-CD2 3.92Å; F40-F89 HydrophobicContact CD1-CD2 3.92Å; F40-F89 HydrophobicContact CD1-CG 4.47Å; F40-F89 HydrophobicContact CD2-CB 4.41Å; F40-F89 AromaticContact CD2-CD2 3.97Å; F40-F89 HydrophobicContact CD2-CD2 3.97Å; F40-F89 HydrophobicContact CE1-CB 3.96Å; F40-F89 HydrophobicContact CE1-CD2 4.49Å; F40-F89 HydrophobicContact CE2-CB 4.12Å; F40-F89 HydrophobicContact CG-CB 4.45Å; F40-F89 AromaticContact CG-CD2 3.63Å; F40-F89 HydrophobicContact CG-CD2 3.63Å; F40-F89 HydrophobicContact CG-CE2 4.45Å; F40-F89 HydrophobicContact CZ-CB 3.89Å; F40-F92 HydrophobicContact CB-CD1 3.89Å; F40-F92 HydrophobicContact CB-CE1 3.99Å; F40-F92 HydrophobicContact CD2-CB 3.85Å; F40-F92 AromaticContact CD2-CD1 3.67Å; F40-F92 HydrophobicContact CD2-CD1 3.67Å; F40-F92 HydrophobicContact CD2-CE1 4.39Å; F40-F92 AromaticContact CD2-CG 3.82Å; F40-F92 HydrophobicContact CD2-CG 3.82Å; F40-F92 HydrophobicContact CE2-CB 4.12Å; F40-F92 HydrophobicContact CG-CD1 4.24Å
41	D	93	Very high	92	Very high	57 Å²	57	63.3 Å²	63.3	31%	0.305	33%	0.327	S	S	.	.	H	α-helix	trans	-64.1	-23.1	-176.9	-76.6	-20.8	0	0	0	113	R37 E38 F43 K47	R37-D41 IonicContact NE-OD2 3.17Å; R37-D41 WeakPolarHBondContact O-CB 3.43Å; R37-D41 PolarHBondContact O-N 3.41Å; E38-D41 PolarHBondContact O-N 3.12Å; D41-F43 VanDerWaalsContact C-N 3.33Å; D41-K47 PolarHBondContact O-NZ 3.17Å
42	L	92.1	Very high	91.9	Very high	110 Å²	110	60.5 Å²	60.5	58%	0.576	31%	0.312	S	S	*	.	H	α-helix	trans	-67.9	-31.6	173.9	-177.2	63.4	0	0	0	112.4	E38 F40	E38-L42 WeakPolarHBondContact O-CB 3.49Å; E38-L42 PolarHBondContact O-N 3.09Å; F40-L42 PolarHBondContact O-N 3.29Å
43	F	89.9	Confident	91.6	Very high	39 Å²	39	62.6 Å²	62.6	17%	0.171	32%	0.324	C	S	.	.	H	α-helix	trans	-105.5	-23.3	-177.6	-61.4	-68.5	0	0	0	113.5	A39 F40 D41 T45 I51 E55 V58 A59 A62	A39-F43 WeakPolarHBondContact O-CD2 3.25Å; F40-F43 PolarHBondContact O-N 3.49Å; D41-F43 VanDerWaalsContact C-N 3.33Å; F43-T45 PolarHBondContact O-N 2.91Å; F43-I51 HydrophobicContact CB-CG2 4.34Å; F43-E55 HydrophobicContact CB-CB 4.12Å; F43-E55 HydrophobicContact CB-CG 4.39Å; F43-V58 HydrophobicContact CD1-CB 4.19Å; F43-V58 HydrophobicContact CD1-CG1 4.15Å; F43-V58 HydrophobicContact CE1-CB 3.8Å; F43-V58 HydrophobicContact CE1-CG1 3.28Å; F43-V58 HydrophobicContact CE2-CB 4.41Å; F43-V58 HydrophobicContact CE2-CG1 4.16Å; F43-V58 HydrophobicContact CZ-CB 3.94Å; F43-V58 HydrophobicContact CZ-CG1 3.3Å; F43-A59 VanDerWaalsContact CD2-CA 3.5Å; F43-A59 HydrophobicContact CD2-CB 3.62Å; F43-A59 VanDerWaalsContact CE2-CA 3.48Å; F43-A59 HydrophobicContact CE2-CB 4.14Å; F43-A62 HydrophobicContact CE2-CB 3.96Å; F43-A62 HydrophobicContact CZ-CB 4.46Å
44	D	90.8	Very high	91.2	Very high	5 Å²	5	68.2 Å²	68.2	3%	0.027	35%	0.348	C	S	.	.			trans	-72.7	70.3	163.3	-177.3	20.3	0	0	0	110	F40 D46 K47 S48 G49 I51	F40-D44 HydrophobicContact CD1-CB 4.11Å; F40-D44 HydrophobicContact CE1-CB 3.82Å; F40-D44 PolarHBondContact O-N 3.28Å; D44-D46 VanDerWaalsContact C-N 3.33Å; D44-K47 PolarHBondContact O-N 3.31Å; D44-K47 PolarHBondContact O-NZ 3.48Å; D44-K47 WeakPolarHBondContact OD1-CA 3.44Å; D44-K47 PolarHBondContact OD1-N 3.2Å; D44-K47 VanDerWaalsContact OD1-N 3.16Å; D44-K47 WeakPolarHBondContact OD2-CA 3.22Å; D44-S48 PolarHBondContact OD1-N 3.16Å; D44-S48 PolarHBondContact OD1-OG 3.02Å; D44-S48 VanDerWaalsContact OD1-OG 3.1Å; D44-G49 PolarHBondContact OD1-N 3.07Å; D44-G49 VanDerWaalsContact OD2-CA 3.27Å; D44-G49 WeakPolarHBondContact OD2-CA 3.34Å; D44-G49 PolarHBondContact OD2-N 3.35Å; D44-I51 HydrophobicContact CB-CG2 4Å
45	T	82.9	Confident	91	Very high	113 Å²	113	66.6 Å²	66.6	69%	0.693	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-29.5	-173.6	57.9	0	0	0	0	112.7	F43	F43-T45 PolarHBondContact O-N 2.91Å
46	D	86.7	Confident	90.8	Very high	117 Å²	117	61.9 Å²	61.9	63%	0.626	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-3.3	178.4	71.1	-8.3	0	0	0	113.3	D44 S48	D44-D46 VanDerWaalsContact C-N 3.33Å; D46-S48 PolarHBondContact O-N 3.43Å; D46-S48 WeakPolarHBondContact OD1-CB 3.49Å; D46-S48 PolarHBondContact OD1-N 3.25Å; D46-S48 PolarHBondContact OD1-OG 3.45Å
47	K	87.4	Confident	90.6	Very high	131 Å²	131	65.3 Å²	65.3	57%	0.57	33%	0.333	S	S	*	.			trans	58.1	34.6	-177	-55.7	-61.9	171.6	-153.1	0	112.1	D41 D44 G49	D41-K47 PolarHBondContact O-NZ 3.17Å; D44-K47 PolarHBondContact O-N 3.31Å; D44-K47 PolarHBondContact O-NZ 3.48Å; D44-K47 WeakPolarHBondContact OD1-CA 3.44Å; D44-K47 PolarHBondContact OD1-N 3.2Å; D44-K47 VanDerWaalsContact OD1-N 3.16Å; D44-K47 WeakPolarHBondContact OD2-CA 3.22Å; K47-G49 PolarHBondContact O-N 3.41Å
48	S	91	Very high	90.5	Very high	59 Å²	59	62.8 Å²	62.8	41%	0.413	33%	0.33	S	S	.	.			trans	-68.5	-19.5	173.8	64.4	0	0	0	0	112.6	D44 D46 T50	D44-S48 PolarHBondContact OD1-N 3.16Å; D44-S48 PolarHBondContact OD1-OG 3.02Å; D44-S48 VanDerWaalsContact OD1-OG 3.1Å; D46-S48 PolarHBondContact O-N 3.43Å; D46-S48 WeakPolarHBondContact OD1-CB 3.49Å; D46-S48 PolarHBondContact OD1-N 3.25Å; D46-S48 PolarHBondContact OD1-OG 3.45Å; S48-T50 VanDerWaalsContact C-N 3.28Å; S48-T50 PolarHBondContact OG-N 2.98Å; S48-T50 VanDerWaalsContact OG-N 3.17Å; S48-T50 PolarHBondContact OG-O 3.29Å; S48-T50 PolarHBondContact OG-OG1 2.69Å; S48-T50 VanDerWaalsContact OG-OG1 3.11Å
49	G	91.7	Very high	90.4	Very high	33 Å²	33	57.4 Å²	57.4	34%	0.34	31%	0.306	S	S	.	.	S	Bend	trans	80.3	10.5	-170.4	0	0	0	0	0	113	F40 D44 K47	F40-G49 WeakPolarHBondContact CZ-O 3.44Å; D44-G49 PolarHBondContact OD1-N 3.07Å; D44-G49 VanDerWaalsContact OD2-CA 3.27Å; D44-G49 WeakPolarHBondContact OD2-CA 3.34Å; D44-G49 PolarHBondContact OD2-N 3.35Å; K47-G49 PolarHBondContact O-N 3.41Å
50	T	93.7	Very high	90.3	Very high	38 Å²	38	57.1 Å²	57.1	23%	0.233	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	152.9	-180	68.6	0	0	0	0	111.7	S48 I87 E88	S48-T50 VanDerWaalsContact C-N 3.28Å; S48-T50 PolarHBondContact OG-N 2.98Å; S48-T50 VanDerWaalsContact OG-N 3.17Å; S48-T50 PolarHBondContact OG-O 3.29Å; S48-T50 PolarHBondContact OG-OG1 2.69Å; S48-T50 VanDerWaalsContact OG-OG1 3.11Å; T50-I87 CarbonylContact C-O 3.57Å; T50-I87 VanDerWaalsContact CA-O 3.27Å; T50-I87 WeakPolarHBondContact CA-O 3.46Å; T50-E88 HydrophobicContact CG2-CG 4.06Å
51	I	92.9	Very high	90.2	Very high	1 Å²	1	63.4 Å²	63.4	1%	0.005	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	147.6	172.1	63.3	178.2	0	0	0	110.9	F40 F43 D44 E55 L56 A59 S86 I87 F92	F40-I51 HydrophobicContact CD2-CD1 3.86Å; F40-I51 HydrophobicContact CD2-CG1 4.22Å; F40-I51 HydrophobicContact CD2-CG2 4.09Å; F40-I51 HydrophobicContact CE1-CG2 4.41Å; F40-I51 HydrophobicContact CE2-CB 4.3Å; F40-I51 HydrophobicContact CE2-CD1 3.95Å; F40-I51 HydrophobicContact CE2-CG1 3.78Å; F40-I51 HydrophobicContact CE2-CG2 3.8Å; F40-I51 HydrophobicContact CZ-CG2 3.97Å; F43-I51 HydrophobicContact CB-CG2 4.34Å; D44-I51 HydrophobicContact CB-CG2 4Å; I51-E55 WeakPolarHBondContact CA-OE2 3.46Å; I51-E55 HydrophobicContact CB-CB 3.84Å; I51-E55 HydrophobicContact CG2-CB 4.46Å; I51-L56 HydrophobicContact CD1-CB 4.37Å; I51-A59 HydrophobicContact CD1-CB 4.17Å; I51-S86 CarbonylContact O-C 3.57Å; I51-S86 WeakPolarHBondContact O-CA 3.41Å; I51-I87 HydrophobicContact CG1-CB 4.13Å; I51-I87 PolarHBondContact N-O 2.96Å; I51-I87 PolarHBondContact O-N 2.83Å; I51-F92 HydrophobicContact CD1-CD2 4.04Å; I51-F92 HydrophobicContact CD1-CE2 4.33Å; I51-F92 HydrophobicContact CD1-CG 4.44Å
52	D	90.2	Very high	90.2	Very high	61 Å²	61	63.4 Å²	63.4	33%	0.326	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	173	174.9	82.5	28.1	0	0	0	112.7	K54 E55 L56	D52-K54 VanDerWaalsContact C-N 3.29Å; D52-K54 PolarHBondContact O-N 3.13Å; D52-K54 VanDerWaalsContact OD1-CA 3.28Å; D52-K54 WeakPolarHBondContact OD1-CA 3.46Å; D52-K54 VanDerWaalsContact OD1-CB 3.24Å; D52-K54 WeakPolarHBondContact OD1-CB 3.42Å; D52-K54 PolarHBondContact OD1-N 2.71Å; D52-E55 PolarHBondContact N-OE2 2.58Å; D52-E55 PolarHBondContact O-N 2.78Å; D52-E55 PolarHBondContact OD1-N 2.89Å; D52-L56 PolarHBondContact O-N 2.84Å
53	I	85.2	Confident	90.2	Very high	74 Å²	74	59 Å²	59	38%	0.379	31%	0.312	S	S	.	.	H	α-helix	trans	-63.4	-31.2	-179	-64.8	166.7	0	0	0	113	K57 L76	I53-K57 PolarHBondContact O-N 3.41Å; I53-L76 HydrophobicContact CD1-CD1 4.22Å; I53-L76 HydrophobicContact CG1-CD1 4.14Å; I53-L76 HydrophobicContact CG2-CD1 4.25Å
54	K	84.9	Confident	90.3	Very high	169 Å²	169	60.2 Å²	60.2	74%	0.735	33%	0.334	S	S	*	.	H	α-helix	trans	-71.7	-44.2	176.4	-63.1	174.7	-176.9	165.7	0	109.5	D52 L56 K57 V58	D52-K54 VanDerWaalsContact C-N 3.29Å; D52-K54 PolarHBondContact O-N 3.13Å; D52-K54 VanDerWaalsContact OD1-CA 3.28Å; D52-K54 WeakPolarHBondContact OD1-CA 3.46Å; D52-K54 VanDerWaalsContact OD1-CB 3.24Å; D52-K54 WeakPolarHBondContact OD1-CB 3.42Å; D52-K54 PolarHBondContact OD1-N 2.71Å; K54-L56 VanDerWaalsContact C-N 3.34Å; K54-K57 PolarHBondContact O-N 3.07Å; K54-V58 WeakPolarHBondContact O-CG2 3.31Å; K54-V58 PolarHBondContact O-N 3.27Å
55	E	90.8	Very high	90.4	Very high	56 Å²	56	60.6 Å²	60.6	26%	0.262	34%	0.336	S	S	.	.	H	α-helix	trans	-62	-40.5	176.2	-71.2	170.4	158.1	0	0	111.3	F43 I51 D52 K57 V58 A59	F43-E55 HydrophobicContact CB-CB 4.12Å; F43-E55 HydrophobicContact CB-CG 4.39Å; I51-E55 WeakPolarHBondContact CA-OE2 3.46Å; I51-E55 HydrophobicContact CB-CB 3.84Å; I51-E55 HydrophobicContact CG2-CB 4.46Å; D52-E55 PolarHBondContact N-OE2 2.58Å; D52-E55 PolarHBondContact O-N 2.78Å; D52-E55 PolarHBondContact OD1-N 2.89Å; E55-K57 VanDerWaalsContact C-N 3.29Å; E55-K57 PolarHBondContact O-N 3.03Å; E55-V58 CarbonylContact O-C 3.59Å; E55-V58 PolarHBondContact O-N 3.47Å; E55-A59 WeakPolarHBondContact O-CB 3.3Å; E55-A59 PolarHBondContact O-N 2.96Å
56	L	90.9	Very high	90.8	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-50.3	-49.1	171.9	174.6	67.5	0	0	0	111.7	I51 D52 K54 V58 A59 M60 V72 L76 I87 F92 M95	I51-L56 HydrophobicContact CD1-CB 4.37Å; D52-L56 PolarHBondContact O-N 2.84Å; K54-L56 VanDerWaalsContact C-N 3.34Å; L56-V58 VanDerWaalsContact C-N 3.26Å; L56-V58 PolarHBondContact O-N 3.04Å; L56-A59 PolarHBondContact O-N 2.81Å; L56-M60 HydrophobicContact CD1-CG 4.21Å; L56-M60 HydrophobicContact CD1-SD 4.26Å; L56-M60 HydrophobicContact CG-CG 4.47Å; L56-M60 HydrophobicContact CG-SD 4.16Å; L56-M60 WeakPolarHBondContact O-CB 3.23Å; L56-M60 VanDerWaalsContact O-CG 3.26Å; L56-M60 WeakPolarHBondContact O-CG 3.42Å; L56-M60 PolarHBondContact O-N 3.49Å; L56-V72 HydrophobicContact CD2-CG1 3.72Å; L56-L76 HydrophobicContact CD2-CD2 3.99Å; L56-L76 HydrophobicContact CD2-CG 4.4Å; L56-I87 HydrophobicContact CB-CD1 3.82Å; L56-I87 HydrophobicContact CD1-CD1 3.89Å; L56-I87 HydrophobicContact CD2-CD1 3.47Å; L56-I87 VanDerWaalsContact CD2-CD1 3.47Å; L56-I87 HydrophobicContact CG-CD1 3.89Å; L56-F92 HydrophobicContact CD1-CD2 3.54Å; L56-F92 HydrophobicContact CD1-CE2 3.7Å; L56-M95 HydrophobicContact CD1-SD 4.39Å
57	K	90.5	Very high	90.9	Very high	72 Å²	72	58 Å²	58	31%	0.313	31%	0.313	S	S	.	.	H	α-helix	trans	-64.2	-34.6	-177.9	-172.7	176.9	-179.7	-176.6	0	111.8	I53 K54 E55 R61 P67	I53-K57 PolarHBondContact O-N 3.41Å; K54-K57 PolarHBondContact O-N 3.07Å; E55-K57 VanDerWaalsContact C-N 3.29Å; E55-K57 PolarHBondContact O-N 3.03Å; K57-R61 WeakPolarHBondContact O-CG 3.38Å; K57-R61 PolarHBondContact O-N 3.02Å; K57-P67 HydrophobicContact CG-CG 4.28Å
58	V	91	Very high	91.1	Very high	62 Å²	62	59.4 Å²	59.4	38%	0.376	32%	0.319	S	S	.	.	H	α-helix	trans	-76.5	-38.9	177.5	-164.9	0	0	0	0	110.8	F43 K54 E55 L56 M60 R61 A62	F43-V58 HydrophobicContact CD1-CB 4.19Å; F43-V58 HydrophobicContact CD1-CG1 4.15Å; F43-V58 HydrophobicContact CE1-CB 3.8Å; F43-V58 HydrophobicContact CE1-CG1 3.28Å; F43-V58 HydrophobicContact CE2-CB 4.41Å; F43-V58 HydrophobicContact CE2-CG1 4.16Å; F43-V58 HydrophobicContact CZ-CB 3.94Å; F43-V58 HydrophobicContact CZ-CG1 3.3Å; K54-V58 WeakPolarHBondContact O-CG2 3.31Å; K54-V58 PolarHBondContact O-N 3.27Å; E55-V58 CarbonylContact O-C 3.59Å; E55-V58 PolarHBondContact O-N 3.47Å; L56-V58 VanDerWaalsContact C-N 3.26Å; L56-V58 PolarHBondContact O-N 3.04Å; V58-M60 PolarHBondContact O-N 2.98Å; V58-R61 WeakPolarHBondContact O-CA 3.44Å; V58-R61 WeakPolarHBondContact O-CB 3.48Å; V58-R61 PolarHBondContact O-N 2.87Å; V58-A62 PolarHBondContact O-N 3.17Å
59	A	93.1	Very high	91	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-59.1	-44.6	173.3	0	0	0	0	0	111.9	F43 I51 E55 L56 R61 A62 L63 F92	F43-A59 VanDerWaalsContact CD2-CA 3.5Å; F43-A59 HydrophobicContact CD2-CB 3.62Å; F43-A59 VanDerWaalsContact CE2-CA 3.48Å; F43-A59 HydrophobicContact CE2-CB 4.14Å; I51-A59 HydrophobicContact CD1-CB 4.17Å; E55-A59 WeakPolarHBondContact O-CB 3.3Å; E55-A59 PolarHBondContact O-N 2.96Å; L56-A59 PolarHBondContact O-N 2.81Å; A59-R61 VanDerWaalsContact C-N 3.26Å; A59-R61 PolarHBondContact O-N 3.05Å; A59-A62 WeakPolarHBondContact O-CB 3.26Å; A59-A62 PolarHBondContact O-N 3.09Å; A59-A62 VanDerWaalsContact O-N 3.17Å; A59-L63 PolarHBondContact O-N 2.86Å; A59-F92 HydrophobicContact CB-CE2 3.75Å; A59-F92 HydrophobicContact CB-CZ 3.58Å
60	M	93.7	Very high	90.9	Very high	0 Å²	0	68.5 Å²	68.5	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-59.2	-37.4	173.6	-71.6	-177.7	74.8	0	0	112.3	L56 V58 L63 G64 F65 P67 V72 L75 M96 K99	L56-M60 HydrophobicContact CD1-CG 4.21Å; L56-M60 HydrophobicContact CD1-SD 4.26Å; L56-M60 HydrophobicContact CG-CG 4.47Å; L56-M60 HydrophobicContact CG-SD 4.16Å; L56-M60 WeakPolarHBondContact O-CB 3.23Å; L56-M60 VanDerWaalsContact O-CG 3.26Å; L56-M60 WeakPolarHBondContact O-CG 3.42Å; L56-M60 PolarHBondContact O-N 3.49Å; V58-M60 PolarHBondContact O-N 2.98Å; M60-L63 PolarHBondContact O-N 2.62Å; M60-G64 PolarHBondContact O-N 2.93Å; M60-F65 HydrophobicContact CB-CB 4.35Å; M60-F65 WeakPolarHBondContact O-CA 3.25Å; M60-F65 WeakPolarHBondContact O-CB 3.42Å; M60-F65 PolarHBondContact O-N 2.79Å; M60-P67 HydrophobicContact CB-CG 3.86Å; M60-P67 HydrophobicContact CE-CB 3.61Å; M60-P67 HydrophobicContact CE-CG 3.7Å; M60-P67 HydrophobicContact CG-CG 4.42Å; M60-P67 HydrophobicContact SD-CB 4.1Å; M60-P67 HydrophobicContact SD-CG 3.72Å; M60-V72 HydrophobicContact SD-CG2 4.43Å; M60-L75 HydrophobicContact CE-CD1 3.48Å; M60-L75 VanDerWaalsContact CE-CD1 3.48Å; M60-L75 HydrophobicContact SD-CD1 4.11Å; M60-M96 HydrophobicContact CE-CE 3.95Å; M60-M96 HydrophobicContact CG-CE 3.72Å; M60-M96 HydrophobicContact CG-SD 3.82Å; M60-M96 HydrophobicContact SD-CE 4.07Å; M60-K99 HydrophobicContact CE-CD 4.5Å; M60-K99 HydrophobicContact CE-CG 4.41Å
61	R	92.9	Very high	90.7	Very high	134 Å²	134	69.6 Å²	69.6	51%	0.506	35%	0.346	S	S	.	.	H	α-helix	trans	-69.7	-36.5	176	-72.7	168.4	169.8	-169.7	-8.3	113.1	K57 V58 A59 L63 G64 F65	K57-R61 WeakPolarHBondContact O-CG 3.38Å; K57-R61 PolarHBondContact O-N 3.02Å; V58-R61 WeakPolarHBondContact O-CA 3.44Å; V58-R61 WeakPolarHBondContact O-CB 3.48Å; V58-R61 PolarHBondContact O-N 2.87Å; A59-R61 VanDerWaalsContact C-N 3.26Å; A59-R61 PolarHBondContact O-N 3.05Å; R61-L63 PolarHBondContact O-N 2.84Å; R61-G64 PolarHBondContact O-N 3.25Å; R61-F65 WeakPolarHBondContact CA-O 3.5Å; R61-F65 WeakPolarHBondContact CG-O 3.32Å
62	A	92.7	Very high	90.6	Very high	57 Å²	57	70 Å²	70	47%	0.471	35%	0.348	S	S	.	.	H	α-helix	trans	-61.2	-31.8	173.8	0	0	0	0	0	111.7	A39 F43 V58 A59 G64	A39-A62 HydrophobicContact CB-CB 4.22Å; F43-A62 HydrophobicContact CE2-CB 3.96Å; F43-A62 HydrophobicContact CZ-CB 4.46Å; V58-A62 PolarHBondContact O-N 3.17Å; A59-A62 WeakPolarHBondContact O-CB 3.26Å; A59-A62 PolarHBondContact O-N 3.09Å; A59-A62 VanDerWaalsContact O-N 3.17Å; A62-G64 PolarHBondContact O-N 2.99Å
63	L	92.5	Very high	90.6	Very high	19 Å²	19	74 Å²	74	10%	0.099	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	9	173.3	-64.2	171.1	0	0	0	114.2	E35 I36 A39 A59 M60 R61 F65 F92 M96	E35-L63 HydrophobicContact CB-CD2 4.24Å; I36-L63 HydrophobicContact CG1-CD1 4.08Å; I36-L63 HydrophobicContact CG1-CD2 4.3Å; A39-L63 HydrophobicContact CB-CD1 4.08Å; A39-L63 HydrophobicContact CB-CD2 3.69Å; A39-L63 HydrophobicContact CB-CG 3.62Å; A59-L63 PolarHBondContact O-N 2.86Å; M60-L63 PolarHBondContact O-N 2.62Å; R61-L63 PolarHBondContact O-N 2.84Å; L63-F65 HydrophobicContact CB-CD2 3.84Å; L63-F65 HydrophobicContact CB-CE2 3.98Å; L63-F92 HydrophobicContact CD1-CE1 4.07Å; L63-F92 HydrophobicContact CD1-CZ 3.72Å; L63-M96 HydrophobicContact CD1-CB 4.19Å; L63-M96 HydrophobicContact CD1-CG 3.53Å; L63-M96 HydrophobicContact CD1-SD 3.7Å
64	G	91.4	Very high	90.8	Very high	63 Å²	63	77.4 Å²	77.4	65%	0.649	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.3	10.3	177.2	0	0	0	0	0	115.3	M60 R61 A62	M60-G64 PolarHBondContact O-N 2.93Å; R61-G64 PolarHBondContact O-N 3.25Å; A62-G64 PolarHBondContact O-N 2.99Å
65	F	92.8	Very high	91.1	Very high	14 Å²	14	69.8 Å²	69.8	6%	0.061	34%	0.338	C	S	.	.			trans	-93	143.3	174.1	-59.1	-80.5	0	0	0	112	M60 R61 L63 P67 M96 K99 M100 K103	M60-F65 HydrophobicContact CB-CB 4.35Å; M60-F65 WeakPolarHBondContact O-CA 3.25Å; M60-F65 WeakPolarHBondContact O-CB 3.42Å; M60-F65 PolarHBondContact O-N 2.79Å; R61-F65 WeakPolarHBondContact CA-O 3.5Å; R61-F65 WeakPolarHBondContact CG-O 3.32Å; L63-F65 HydrophobicContact CB-CD2 3.84Å; L63-F65 HydrophobicContact CB-CE2 3.98Å; F65-P67 WeakPolarHBondContact O-CD 3.33Å; F65-M96 HydrophobicContact CD2-SD 4.41Å; F65-M96 HydrophobicContact CE2-SD 4.43Å; F65-K99 HydrophobicContact CD1-CB 4.43Å; F65-K99 HydrophobicContact CE1-CB 3.83Å; F65-K99 VanDerWaalsContact CE1-O 3.3Å; F65-K99 WeakPolarHBondContact CE1-O 3.46Å; F65-K99 HydrophobicContact CE2-CB 4.15Å; F65-K99 HydrophobicContact CZ-CB 3.68Å; F65-K99 WeakPolarHBondContact CZ-O 3.37Å; F65-M100 HydrophobicContact CE2-CG 4.12Å; F65-M100 HydrophobicContact CZ-CG 3.85Å; F65-K103 HydrophobicContact CE1-CB 4.11Å; F65-K103 HydrophobicContact CE1-CD 4.23Å; F65-K103 HydrophobicContact CE1-CG 4.49Å; F65-K103 HydrophobicContact CZ-CD 4.48Å
66	E	91.1	Very high	91.1	Very high	171 Å²	171	67.5 Å²	67.5	80%	0.799	33%	0.328	S	S	*	.			trans	-114	70.3	172.3	-64.7	-159.3	140.5	0	0	112
67	P	89.5	Confident	91.2	Very high	5 Å²	5	71.5 Å²	71.5	3%	0.032	35%	0.352	C	S	.	.			trans	-71.9	137	-171.8	32.2	-38.9	0	0	0	112.1	K57 M60 F65 E71 V72	K57-P67 HydrophobicContact CG-CG 4.28Å; M60-P67 HydrophobicContact CB-CG 3.86Å; M60-P67 HydrophobicContact CE-CB 3.61Å; M60-P67 HydrophobicContact CE-CG 3.7Å; M60-P67 HydrophobicContact CG-CG 4.42Å; M60-P67 HydrophobicContact SD-CB 4.1Å; M60-P67 HydrophobicContact SD-CG 3.72Å; F65-P67 WeakPolarHBondContact O-CD 3.33Å; P67-E71 WeakPolarHBondContact CA-OE2 3.39Å; P67-E71 HydrophobicContact CB-CG 4.5Å; P67-V72 HydrophobicContact CB-CG2 3.82Å; P67-V72 HydrophobicContact CG-CG2 4.02Å
68	K	90.6	Very high	91.1	Very high	159 Å²	159	74 Å²	74	69%	0.691	37%	0.365	S	S	*	.			trans	-76.2	158.5	169.6	-68	-177.5	-178.7	177	0	110.2	E70 E71 V72	K68-E70 PolarHBondContact O-N 2.99Å; K68-E70 VanDerWaalsContact O-N 3.17Å; K68-E71 PolarHBondContact N-OE2 3.29Å; K68-E71 WeakPolarHBondContact O-CB 3.24Å; K68-E71 PolarHBondContact O-N 3.25Å; K68-V72 PolarHBondContact O-N 2.85Å
69	K	88.7	Confident	91.1	Very high	140 Å²	140	71.6 Å²	71.6	61%	0.609	35%	0.35	S	S	*	.	H	α-helix	trans	-54.3	-38.6	178.8	-175.2	179.1	-178.8	-179.8	0	112.4	R73	K69-R73 WeakPolarHBondContact O-CG 3.47Å; K69-R73 PolarHBondContact O-N 3.43Å; K69-R73 VanDerWaalsContact O-N 3.14Å
70	E	90.7	Very high	90.9	Very high	143 Å²	143	77.5 Å²	77.5	67%	0.668	38%	0.381	S	S	*	.	H	α-helix	trans	-68.1	-37.4	178.2	-64.7	176	-178.1	0	0	112.4	K68 R73 K74	K68-E70 PolarHBondContact O-N 2.99Å; K68-E70 VanDerWaalsContact O-N 3.17Å; E70-R73 PolarHBondContact O-N 2.95Å; E70-K74 WeakPolarHBondContact O-CG 3.47Å; E70-K74 PolarHBondContact O-N 2.98Å
71	E	89.1	Confident	90.5	Very high	61 Å²	61	77.5 Å²	77.5	29%	0.285	38%	0.382	S	S	.	.	H	α-helix	trans	-68.3	-43.9	177.7	-174.4	178.3	-177.3	0	0	111.4	P67 K68 R73 K74 L75 K99	P67-E71 WeakPolarHBondContact CA-OE2 3.39Å; P67-E71 HydrophobicContact CB-CG 4.5Å; K68-E71 PolarHBondContact N-OE2 3.29Å; K68-E71 WeakPolarHBondContact O-CB 3.24Å; K68-E71 PolarHBondContact O-N 3.25Å; E71-R73 VanDerWaalsContact C-N 3.3Å; E71-R73 PolarHBondContact O-N 3.05Å; E71-K74 WeakPolarHBondContact O-CB 3.45Å; E71-K74 PolarHBondContact O-N 3.41Å; E71-K74 VanDerWaalsContact O-N 3.15Å; E71-L75 PolarHBondContact O-N 3.16Å; E71-K99 WeakPolarHBondContact OE1-CE 3.35Å; E71-K99 IonicContact OE1-NZ 3.68Å; E71-K99 PolarHBondContact OE1-NZ 3.32Å
72	V	90.2	Very high	90	Very high	9 Å²	9	75 Å²	75	6%	0.055	38%	0.378	C	S	.	.	H	α-helix	trans	-57.5	-45.3	173.3	178.2	0	0	0	0	110.5	L56 M60 P67 K68 K74 L75 L76	L56-V72 HydrophobicContact CD2-CG1 3.72Å; M60-V72 HydrophobicContact SD-CG2 4.43Å; P67-V72 HydrophobicContact CB-CG2 3.82Å; P67-V72 HydrophobicContact CG-CG2 4.02Å; K68-V72 PolarHBondContact O-N 2.85Å; V72-K74 VanDerWaalsContact C-N 3.33Å; V72-K74 PolarHBondContact O-N 3.24Å; V72-L75 PolarHBondContact O-N 3.4Å; V72-L76 HydrophobicContact CG1-CD1 4.06Å; V72-L76 HydrophobicContact CG1-CG 4.37Å; V72-L76 VanDerWaalsContact O-CG 3.29Å; V72-L76 WeakPolarHBondContact O-CG 3.44Å; V72-L76 PolarHBondContact O-N 2.71Å
73	R	90	Very high	89.4	Confident	147 Å²	147	79.1 Å²	79.1	56%	0.555	39%	0.392	S	S	*	.	H	α-helix	trans	-61.5	-40.1	176.9	-75.7	175.8	171.9	-172.4	-7.8	112.8	K69 E70 E71 L76 T77	K69-R73 WeakPolarHBondContact O-CG 3.47Å; K69-R73 PolarHBondContact O-N 3.43Å; K69-R73 VanDerWaalsContact O-N 3.14Å; E70-R73 PolarHBondContact O-N 2.95Å; E71-R73 VanDerWaalsContact C-N 3.3Å; E71-R73 PolarHBondContact O-N 3.05Å; R73-L76 PolarHBondContact O-N 3.17Å; R73-T77 WeakPolarHBondContact O-CB 3.48Å; R73-T77 PolarHBondContact O-N 2.98Å; R73-T77 PolarHBondContact O-OG1 2.85Å
74	K	90.5	Very high	89	Confident	144 Å²	144	81.9 Å²	81.9	63%	0.626	40%	0.403	S	S	*	.	H	α-helix	trans	-62.8	-47.4	175.9	-74.7	177.2	-178.3	-175	0	111.2	E70 E71 V72 L76 T77 E78	E70-K74 WeakPolarHBondContact O-CG 3.47Å; E70-K74 PolarHBondContact O-N 2.98Å; E71-K74 WeakPolarHBondContact O-CB 3.45Å; E71-K74 PolarHBondContact O-N 3.41Å; E71-K74 VanDerWaalsContact O-N 3.15Å; V72-K74 VanDerWaalsContact C-N 3.33Å; V72-K74 PolarHBondContact O-N 3.24Å; K74-L76 VanDerWaalsContact C-N 3.35Å; K74-L76 PolarHBondContact O-N 2.77Å; K74-T77 PolarHBondContact O-N 3.27Å; K74-T77 VanDerWaalsContact O-N 3.16Å; K74-E78 VanDerWaalsContact O-CB 3.31Å; K74-E78 WeakPolarHBondContact O-CB 3.43Å; K74-E78 PolarHBondContact O-N 2.59Å
75	L	90.2	Very high	88.6	Confident	9 Å²	9	86.2 Å²	86.2	5%	0.047	41%	0.412	C	S	.	.	H	α-helix	trans	-59.1	-45.3	175	-71.8	170.9	0	0	0	111.5	M60 E71 V72 T77 E78 F79 K99	M60-L75 HydrophobicContact CE-CD1 3.48Å; M60-L75 VanDerWaalsContact CE-CD1 3.48Å; M60-L75 HydrophobicContact SD-CD1 4.11Å; E71-L75 PolarHBondContact O-N 3.16Å; V72-L75 PolarHBondContact O-N 3.4Å; L75-T77 VanDerWaalsContact C-N 3.28Å; L75-T77 PolarHBondContact O-N 3.18Å; L75-E78 PolarHBondContact O-N 3.32Å; L75-F79 HydrophobicContact CD2-CD2 4.49Å; L75-F79 HydrophobicContact CD2-CE2 3.98Å; L75-F79 WeakPolarHBondContact O-CD2 3.45Å; L75-F79 PolarHBondContact O-N 3.18Å; L75-F79 VanDerWaalsContact O-N 3.1Å; L75-K99 HydrophobicContact CD1-CD 4.15Å; L75-K99 HydrophobicContact CD1-CG 4.18Å; L75-K99 HydrophobicContact CD2-CD 4.33Å; L75-K99 HydrophobicContact CD2-CG 4.27Å
76	L	91.6	Very high	88.5	Confident	9 Å²	9	87.7 Å²	87.7	5%	0.047	42%	0.423	C	S	.	.	H	α-helix	trans	-60.6	-39.8	176.8	-68.7	172.6	0	0	0	112	I53 L56 V72 R73 K74 D80 C81 D82 I87 M95	I53-L76 HydrophobicContact CD1-CD1 4.22Å; I53-L76 HydrophobicContact CG1-CD1 4.14Å; I53-L76 HydrophobicContact CG2-CD1 4.25Å; L56-L76 HydrophobicContact CD2-CD2 3.99Å; L56-L76 HydrophobicContact CD2-CG 4.4Å; V72-L76 HydrophobicContact CG1-CD1 4.06Å; V72-L76 HydrophobicContact CG1-CG 4.37Å; V72-L76 VanDerWaalsContact O-CG 3.29Å; V72-L76 WeakPolarHBondContact O-CG 3.44Å; V72-L76 PolarHBondContact O-N 2.71Å; R73-L76 PolarHBondContact O-N 3.17Å; K74-L76 VanDerWaalsContact C-N 3.35Å; K74-L76 PolarHBondContact O-N 2.77Å; L76-D80 PolarHBondContact O-N 3.48Å; L76-C81 HydrophobicContact CB-CB 4.46Å; L76-C81 HydrophobicContact CD2-CB 3.69Å; L76-C81 CarbonylContact O-C 3.51Å; L76-C81 WeakPolarHBondContact O-CA 3.22Å; L76-C81 PolarHBondContact O-N 2.96Å; L76-D82 HydrophobicContact CB-CB 4.45Å; L76-D82 PolarHBondContact O-N 3.19Å; L76-D82 VanDerWaalsContact O-N 3.14Å; L76-I87 HydrophobicContact CD2-CD1 3.67Å; L76-I87 HydrophobicContact CD2-CG1 4.33Å; L76-M95 HydrophobicContact CD2-CE 4.15Å
77	T	91.5	Very high	88.5	Confident	83 Å²	83	79.6 Å²	79.6	51%	0.509	39%	0.386	S	S	.	.	H	α-helix	trans	-70.4	-42.2	178.3	-50.8	0	0	0	0	111.9	R73 K74 L75 F79 D80	R73-T77 WeakPolarHBondContact O-CB 3.48Å; R73-T77 PolarHBondContact O-N 2.98Å; R73-T77 PolarHBondContact O-OG1 2.85Å; K74-T77 PolarHBondContact O-N 3.27Å; K74-T77 VanDerWaalsContact O-N 3.16Å; L75-T77 VanDerWaalsContact C-N 3.28Å; L75-T77 PolarHBondContact O-N 3.18Å; T77-F79 VanDerWaalsContact C-N 3.27Å; T77-F79 PolarHBondContact O-N 3.18Å; T77-D80 PolarHBondContact O-N 3.06Å
78	E	90.1	Very high	88.7	Confident	126 Å²	126	84.4 Å²	84.4	59%	0.589	41%	0.408	S	S	*	.	H	α-helix	trans	-66.5	-29.2	-177.7	180	177.5	176.7	0	0	112.9	K74 L75	K74-E78 VanDerWaalsContact O-CB 3.31Å; K74-E78 WeakPolarHBondContact O-CB 3.43Å; K74-E78 PolarHBondContact O-N 2.59Å; L75-E78 PolarHBondContact O-N 3.32Å
79	F	89.9	Confident	88.9	Confident	11 Å²	11	79.1 Å²	79.1	5%	0.048	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106	13.1	-177.4	-68.9	-99	0	0	0	113.5	L75 T77 C81 R94 M95 V98	L75-F79 HydrophobicContact CD2-CD2 4.49Å; L75-F79 HydrophobicContact CD2-CE2 3.98Å; L75-F79 WeakPolarHBondContact O-CD2 3.45Å; L75-F79 PolarHBondContact O-N 3.18Å; L75-F79 VanDerWaalsContact O-N 3.1Å; T77-F79 VanDerWaalsContact C-N 3.27Å; T77-F79 PolarHBondContact O-N 3.18Å; F79-C81 VanDerWaalsContact C-N 3.33Å; F79-C81 PolarHBondContact O-N 3Å; F79-C81 PolarHBondContact O-SG 3.5Å; F79-R94 HydrophobicContact CD1-CB 3.82Å; F79-R94 HydrophobicContact CD1-CG 3.93Å; F79-R94 VanDerWaalsContact CE1-C 3.48Å; F79-R94 HydrophobicContact CE1-CB 3.66Å; F79-R94 HydrophobicContact CE1-CG 3.6Å; F79-R94 PolarHBondContact O-NH2 2.94Å; F79-M95 HydrophobicContact CB-CE 3.66Å; F79-M95 HydrophobicContact CB-CG 4.13Å; F79-M95 HydrophobicContact CD1-CG 3.94Å; F79-M95 HydrophobicContact CD2-CG 3.73Å; F79-M95 HydrophobicContact CE1-CG 4.29Å; F79-M95 HydrophobicContact CE2-CG 4.08Å; F79-M95 HydrophobicContact CG-CE 4.24Å; F79-M95 HydrophobicContact CG-CG 3.65Å; F79-M95 HydrophobicContact CZ-CG 4.34Å; F79-V98 HydrophobicContact CE1-CG2 4.44Å; F79-V98 HydrophobicContact CZ-CB 4.16Å; F79-V98 HydrophobicContact CZ-CG2 3.73Å
80	D	88.4	Confident	89.1	Confident	123 Å²	123	75.6 Å²	75.6	66%	0.658	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	59	37.3	179.5	-56	-53.7	0	0	0	114.1	L76 T77 K84	L76-D80 PolarHBondContact O-N 3.48Å; T77-D80 PolarHBondContact O-N 3.06Å; D80-K84 WeakPolarHBondContact O-CE 3.34Å
81	C	86	Confident	89.2	Confident	1 Å²	1	69.4 Å²	69.4	1%	0.007	35%	0.349	C	S	.	.			trans	-110.9	2.2	179.5	-60.4	0	0	0	0	113.5	L76 F79 N83 K84 D91 M95	L76-C81 HydrophobicContact CB-CB 4.46Å; L76-C81 HydrophobicContact CD2-CB 3.69Å; L76-C81 CarbonylContact O-C 3.51Å; L76-C81 WeakPolarHBondContact O-CA 3.22Å; L76-C81 PolarHBondContact O-N 2.96Å; F79-C81 VanDerWaalsContact C-N 3.33Å; F79-C81 PolarHBondContact O-N 3Å; F79-C81 PolarHBondContact O-SG 3.5Å; C81-N83 VanDerWaalsContact C-N 3.26Å; C81-N83 PolarHBondContact O-N 3.21Å; C81-K84 HydrophobicContact CB-CD 4.31Å; C81-K84 PolarHBondContact O-N 3.03Å; C81-K84 VanDerWaalsContact O-N 3.15Å; C81-D91 PolarHBondContact SG-OD2 2.83Å; C81-M95 HydrophobicContact CB-CE 3.82Å; C81-M95 WeakPolarHBondContact SG-CE 3.5Å
82	D	81.8	Confident	89.4	Confident	82 Å²	82	66.5 Å²	66.5	44%	0.439	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-30	-175.6	70.2	-32.9	0	0	0	114	L76	L76-D82 HydrophobicContact CB-CB 4.45Å; L76-D82 PolarHBondContact O-N 3.19Å; L76-D82 VanDerWaalsContact O-N 3.14Å
83	N	80.6	Confident	89.6	Confident	142 Å²	142	68.2 Å²	68.2	76%	0.759	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.3	5.2	178.1	-64	-68.3	0	0	0	113.2	C81	C81-N83 VanDerWaalsContact C-N 3.26Å; C81-N83 PolarHBondContact O-N 3.21Å
84	K	83.4	Confident	89.7	Confident	78 Å²	78	66.3 Å²	66.3	34%	0.339	34%	0.337	S	S	.	.			trans	-91.1	137.9	176.6	-59.2	-174.2	-172.6	-175.8	0	109.8	D80 C81 S86 D91	D80-K84 WeakPolarHBondContact O-CE 3.34Å; C81-K84 HydrophobicContact CB-CD 4.31Å; C81-K84 PolarHBondContact O-N 3.03Å; C81-K84 VanDerWaalsContact O-N 3.15Å; K84-S86 VanDerWaalsContact C-N 3.27Å; K84-S86 VanDerWaalsContact CB-O 3.27Å; K84-S86 WeakPolarHBondContact CB-O 3.39Å; K84-D91 IonicContact NZ-OD2 3.8Å; K84-D91 PolarHBondContact NZ-OD2 3.23Å
85	D	83.6	Confident	89.8	Confident	154 Å²	154	59.4 Å²	59.4	82%	0.824	31%	0.307	S	S	*	.	S	Bend	trans	-75.6	-21.3	172	-68.6	-38.2	0	0	0	111.9
86	S	89.9	Confident	90	Very high	44 Å²	44	59 Å²	59	31%	0.308	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	160	-179.3	69.3	0	0	0	0	112.6	I51 K84	I51-S86 CarbonylContact O-C 3.57Å; I51-S86 WeakPolarHBondContact O-CA 3.41Å; K84-S86 VanDerWaalsContact C-N 3.27Å; K84-S86 VanDerWaalsContact CB-O 3.27Å; K84-S86 WeakPolarHBondContact CB-O 3.39Å
87	I	92.5	Very high	90	Very high	1 Å²	1	59.9 Å²	59.9	1%	0.005	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	119.7	-175	-55.9	174.7	0	0	0	107.8	T50 I51 L56 L76 D91 F92 M95	T50-I87 CarbonylContact C-O 3.57Å; T50-I87 VanDerWaalsContact CA-O 3.27Å; T50-I87 WeakPolarHBondContact CA-O 3.46Å; I51-I87 HydrophobicContact CG1-CB 4.13Å; I51-I87 PolarHBondContact N-O 2.96Å; I51-I87 PolarHBondContact O-N 2.83Å; L56-I87 HydrophobicContact CB-CD1 3.82Å; L56-I87 HydrophobicContact CD1-CD1 3.89Å; L56-I87 HydrophobicContact CD2-CD1 3.47Å; L56-I87 VanDerWaalsContact CD2-CD1 3.47Å; L56-I87 HydrophobicContact CG-CD1 3.89Å; L76-I87 HydrophobicContact CD2-CD1 3.67Å; L76-I87 HydrophobicContact CD2-CG1 4.33Å; I87-D91 HydrophobicContact CG2-CB 3.75Å; I87-F92 HydrophobicContact CG2-CB 4.18Å; I87-M95 HydrophobicContact CG2-CE 4.45Å
88	E	93.8	Very high	89.9	Confident	106 Å²	106	57.9 Å²	57.9	50%	0.495	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	155.3	174.2	-65.2	177.2	-180	0	0	110.8	T50 S90 D91 F92	T50-E88 HydrophobicContact CG2-CG 4.06Å; E88-S90 PolarHBondContact O-N 3.46Å; E88-S90 VanDerWaalsContact O-N 3.16Å; E88-D91 PolarHBondContact O-N 3.16Å; E88-F92 PolarHBondContact O-N 2.74Å
89	F	93.7	Very high	89.9	Confident	49 Å²	49	53.2 Å²	53.2	22%	0.215	28%	0.277	C	S	.	.	H	α-helix	trans	-54.2	-36.7	177.3	177.1	-111.2	0	0	0	113.2	I36 R37 F40 D91 F92 L93	I36-F89 HydrophobicContact CG2-CE2 4.24Å; R37-F89 HydrophobicContact CB-CE2 3.97Å; R37-F89 HydrophobicContact CB-CZ 3.86Å; R37-F89 HydrophobicContact CG-CE2 4.12Å; R37-F89 HydrophobicContact CG-CZ 4.03Å; F40-F89 HydrophobicContact CB-CD2 3.83Å; F40-F89 HydrophobicContact CB-CE2 4.16Å; F40-F89 HydrophobicContact CD1-CB 4.23Å; F40-F89 AromaticContact CD1-CD2 3.92Å; F40-F89 HydrophobicContact CD1-CD2 3.92Å; F40-F89 HydrophobicContact CD1-CG 4.47Å; F40-F89 HydrophobicContact CD2-CB 4.41Å; F40-F89 AromaticContact CD2-CD2 3.97Å; F40-F89 HydrophobicContact CD2-CD2 3.97Å; F40-F89 HydrophobicContact CE1-CB 3.96Å; F40-F89 HydrophobicContact CE1-CD2 4.49Å; F40-F89 HydrophobicContact CE2-CB 4.12Å; F40-F89 HydrophobicContact CG-CB 4.45Å; F40-F89 AromaticContact CG-CD2 3.63Å; F40-F89 HydrophobicContact CG-CD2 3.63Å; F40-F89 HydrophobicContact CG-CE2 4.45Å; F40-F89 HydrophobicContact CZ-CB 3.89Å; F89-D91 PolarHBondContact O-N 2.77Å; F89-F92 PolarHBondContact O-N 2.89Å; F89-L93 HydrophobicContact CE1-CD2 4.28Å; F89-L93 HydrophobicContact CZ-CB 4.4Å; F89-L93 HydrophobicContact CZ-CD2 4.44Å; F89-L93 VanDerWaalsContact O-CB 3.26Å; F89-L93 WeakPolarHBondContact O-CB 3.44Å; F89-L93 PolarHBondContact O-N 3.49Å
90	S	92.6	Very high	89.9	Confident	65 Å²	65	52.9 Å²	52.9	46%	0.455	28%	0.276	S	S	.	.	H	α-helix	trans	-59.4	-43.3	177.1	52.4	0	0	0	0	112.4	E88 R94	E88-S90 PolarHBondContact O-N 3.46Å; E88-S90 VanDerWaalsContact O-N 3.16Å; S90-R94 PolarHBondContact O-N 3.25Å; S90-R94 VanDerWaalsContact O-N 3.14Å
91	D	93	Very high	89.9	Confident	13 Å²	13	50 Å²	50	7%	0.07	26%	0.259	C	S	.	.	H	α-helix	trans	-69.9	-45.1	177.3	-73.7	-28.6	0	0	0	111	C81 K84 I87 E88 F89 L93 R94 M95	C81-D91 PolarHBondContact SG-OD2 2.83Å; K84-D91 IonicContact NZ-OD2 3.8Å; K84-D91 PolarHBondContact NZ-OD2 3.23Å; I87-D91 HydrophobicContact CG2-CB 3.75Å; E88-D91 PolarHBondContact O-N 3.16Å; F89-D91 PolarHBondContact O-N 2.77Å; D91-L93 PolarHBondContact O-N 3.33Å; D91-R94 WeakPolarHBondContact O-CB 3.42Å; D91-R94 PolarHBondContact O-N 2.99Å; D91-R94 IonicContact OD1-CZ 2.7Å; D91-R94 IonicContact OD1-NE 2.7Å; D91-R94 IonicContact OD1-NH2 4Å; D91-R94 PolarHBondContact OD1-NH2 2.88Å; D91-M95 WeakPolarHBondContact O-CG 3.28Å; D91-M95 PolarHBondContact O-N 3.3Å
92	F	94.2	Very high	89.9	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-59.2	-45.9	176.5	-177.1	-110.1	0	0	0	111.8	I36 F40 I51 L56 A59 L63 I87 E88 F89 R94 M95 M96	I36-F92 HydrophobicContact CG2-CD1 3.68Å; I36-F92 HydrophobicContact CG2-CE1 3.63Å; I36-F92 WeakPolarHBondContact O-CE1 3.24Å; F40-F92 HydrophobicContact CB-CD1 3.89Å; F40-F92 HydrophobicContact CB-CE1 3.99Å; F40-F92 HydrophobicContact CD2-CB 3.85Å; F40-F92 AromaticContact CD2-CD1 3.67Å; F40-F92 HydrophobicContact CD2-CD1 3.67Å; F40-F92 HydrophobicContact CD2-CE1 4.39Å; F40-F92 AromaticContact CD2-CG 3.82Å; F40-F92 HydrophobicContact CD2-CG 3.82Å; F40-F92 HydrophobicContact CE2-CB 4.12Å; F40-F92 HydrophobicContact CG-CD1 4.24Å; I51-F92 HydrophobicContact CD1-CD2 4.04Å; I51-F92 HydrophobicContact CD1-CE2 4.33Å; I51-F92 HydrophobicContact CD1-CG 4.44Å; L56-F92 HydrophobicContact CD1-CD2 3.54Å; L56-F92 HydrophobicContact CD1-CE2 3.7Å; A59-F92 HydrophobicContact CB-CE2 3.75Å; A59-F92 HydrophobicContact CB-CZ 3.58Å; L63-F92 HydrophobicContact CD1-CE1 4.07Å; L63-F92 HydrophobicContact CD1-CZ 3.72Å; I87-F92 HydrophobicContact CG2-CB 4.18Å; E88-F92 PolarHBondContact O-N 2.74Å; F89-F92 PolarHBondContact O-N 2.89Å; F92-R94 VanDerWaalsContact C-N 3.31Å; F92-R94 PolarHBondContact O-N 3.46Å; F92-M95 PolarHBondContact O-N 3.42Å; F92-M96 HydrophobicContact CD1-CG 4.19Å; F92-M96 HydrophobicContact CD2-CG 4.07Å; F92-M96 HydrophobicContact CE1-CG 3.83Å; F92-M96 HydrophobicContact CE2-CE 4.24Å; F92-M96 HydrophobicContact CE2-CG 3.67Å; F92-M96 HydrophobicContact CE2-SD 3.94Å; F92-M96 HydrophobicContact CG-CG 4.32Å; F92-M96 HydrophobicContact CZ-CG 3.55Å; F92-M96 HydrophobicContact CZ-SD 4.08Å; F92-M96 WeakPolarHBondContact O-CB 3.45Å; F92-M96 WeakPolarHBondContact O-CG 3.35Å; F92-M96 PolarHBondContact O-N 3.21Å
93	L	94.2	Very high	90.1	Very high	45 Å²	45	54.3 Å²	54.3	24%	0.236	28%	0.278	C	S	.	.	H	α-helix	trans	-58.4	-43.4	175.9	-180	63.8	0	0	0	111.4	L28 K33 I36 F89 D91 M96 S97	L28-L93 HydrophobicContact CD1-CD1 4.33Å; K33-L93 HydrophobicContact CG-CD1 4.46Å; I36-L93 HydrophobicContact CB-CD1 4.26Å; I36-L93 HydrophobicContact CD1-CD1 3.79Å; I36-L93 HydrophobicContact CG2-CB 4.5Å; I36-L93 HydrophobicContact CG2-CD1 3.87Å; F89-L93 HydrophobicContact CE1-CD2 4.28Å; F89-L93 HydrophobicContact CZ-CB 4.4Å; F89-L93 HydrophobicContact CZ-CD2 4.44Å; F89-L93 VanDerWaalsContact O-CB 3.26Å; F89-L93 WeakPolarHBondContact O-CB 3.44Å; F89-L93 PolarHBondContact O-N 3.49Å; D91-L93 PolarHBondContact O-N 3.33Å; L93-M96 PolarHBondContact O-N 3.19Å; L93-S97 WeakPolarHBondContact O-CB 3.29Å; L93-S97 PolarHBondContact O-N 2.84Å; L93-S97 PolarHBondContact O-OG 2.93Å
94	R	92.1	Very high	90.3	Very high	107 Å²	107	49.6 Å²	49.6	40%	0.404	25%	0.253	S	S	.	.	H	α-helix	trans	-61.6	-48.1	177.2	-142.4	-165.7	-17.2	163.7	15.7	111.5	F79 S90 D91 F92 S97 V98	F79-R94 HydrophobicContact CD1-CB 3.82Å; F79-R94 HydrophobicContact CD1-CG 3.93Å; F79-R94 VanDerWaalsContact CE1-C 3.48Å; F79-R94 HydrophobicContact CE1-CB 3.66Å; F79-R94 HydrophobicContact CE1-CG 3.6Å; F79-R94 PolarHBondContact O-NH2 2.94Å; S90-R94 PolarHBondContact O-N 3.25Å; S90-R94 VanDerWaalsContact O-N 3.14Å; D91-R94 WeakPolarHBondContact O-CB 3.42Å; D91-R94 PolarHBondContact O-N 2.99Å; D91-R94 IonicContact OD1-CZ 2.7Å; D91-R94 IonicContact OD1-NE 2.7Å; D91-R94 IonicContact OD1-NH2 4Å; D91-R94 PolarHBondContact OD1-NH2 2.88Å; F92-R94 VanDerWaalsContact C-N 3.31Å; F92-R94 PolarHBondContact O-N 3.46Å; R94-S97 WeakPolarHBondContact O-CB 3.46Å; R94-S97 PolarHBondContact O-N 3.5Å; R94-V98 PolarHBondContact O-N 3.47Å
95	M	93	Very high	90.5	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-61.1	-47.1	178.4	-68.4	173.6	-172.6	0	0	111.1	L56 L76 F79 C81 I87 D91 F92 S97 V98 K99	L56-M95 HydrophobicContact CD1-SD 4.39Å; L76-M95 HydrophobicContact CD2-CE 4.15Å; F79-M95 HydrophobicContact CB-CE 3.66Å; F79-M95 HydrophobicContact CB-CG 4.13Å; F79-M95 HydrophobicContact CD1-CG 3.94Å; F79-M95 HydrophobicContact CD2-CG 3.73Å; F79-M95 HydrophobicContact CE1-CG 4.29Å; F79-M95 HydrophobicContact CE2-CG 4.08Å; F79-M95 HydrophobicContact CG-CE 4.24Å; F79-M95 HydrophobicContact CG-CG 3.65Å; F79-M95 HydrophobicContact CZ-CG 4.34Å; C81-M95 HydrophobicContact CB-CE 3.82Å; C81-M95 WeakPolarHBondContact SG-CE 3.5Å; I87-M95 HydrophobicContact CG2-CE 4.45Å; D91-M95 WeakPolarHBondContact O-CG 3.28Å; D91-M95 PolarHBondContact O-N 3.3Å; F92-M95 PolarHBondContact O-N 3.42Å; M95-S97 VanDerWaalsContact C-N 3.32Å; M95-S97 PolarHBondContact O-N 2.91Å; M95-V98 PolarHBondContact O-N 2.89Å; M95-K99 WeakPolarHBondContact O-CG 3.16Å; M95-K99 PolarHBondContact O-N 3.44Å; M95-K99 VanDerWaalsContact O-N 3.09Å
96	M	93.9	Very high	90.7	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-70.7	-30.8	-178	-66.1	-50.6	93.4	0	0	112	I36 M60 L63 F65 F92 L93 V98 K99 M100	I36-M96 HydrophobicContact CD1-CB 3.68Å; I36-M96 HydrophobicContact CG1-CB 3.86Å; I36-M96 HydrophobicContact CG2-CB 4.12Å; I36-M96 HydrophobicContact CG2-CG 4.3Å; M60-M96 HydrophobicContact CE-CE 3.95Å; M60-M96 HydrophobicContact CG-CE 3.72Å; M60-M96 HydrophobicContact CG-SD 3.82Å; M60-M96 HydrophobicContact SD-CE 4.07Å; L63-M96 HydrophobicContact CD1-CB 4.19Å; L63-M96 HydrophobicContact CD1-CG 3.53Å; L63-M96 HydrophobicContact CD1-SD 3.7Å; F65-M96 HydrophobicContact CD2-SD 4.41Å; F65-M96 HydrophobicContact CE2-SD 4.43Å; F92-M96 HydrophobicContact CD1-CG 4.19Å; F92-M96 HydrophobicContact CD2-CG 4.07Å; F92-M96 HydrophobicContact CE1-CG 3.83Å; F92-M96 HydrophobicContact CE2-CE 4.24Å; F92-M96 HydrophobicContact CE2-CG 3.67Å; F92-M96 HydrophobicContact CE2-SD 3.94Å; F92-M96 HydrophobicContact CG-CG 4.32Å; F92-M96 HydrophobicContact CZ-CG 3.55Å; F92-M96 HydrophobicContact CZ-SD 4.08Å; F92-M96 WeakPolarHBondContact O-CB 3.45Å; F92-M96 WeakPolarHBondContact O-CG 3.35Å; F92-M96 PolarHBondContact O-N 3.21Å; L93-M96 PolarHBondContact O-N 3.19Å; M96-V98 PolarHBondContact O-N 3.18Å; M96-K99 HydrophobicContact CE-CG 4.15Å; M96-K99 PolarHBondContact O-N 3.28Å; M96-M100 WeakPolarHBondContact O-CB 3.45Å; M96-M100 VanDerWaalsContact O-CG 3.28Å; M96-M100 WeakPolarHBondContact O-CG 3.24Å; M96-M100 PolarHBondContact O-N 3.4Å
97	S	91.7	Very high	90.8	Very high	28 Å²	28	46.1 Å²	46.1	20%	0.196	23%	0.232	C	C	.	.	H	α-helix	trans	-57.9	-48.5	172.5	-60	0	0	0	0	111.7	L28 L93 R94 M95 M100 Q101	L28-S97 WeakPolarHBondContact CD1-OG 3.47Å; L93-S97 WeakPolarHBondContact O-CB 3.29Å; L93-S97 PolarHBondContact O-N 2.84Å; L93-S97 PolarHBondContact O-OG 2.93Å; R94-S97 WeakPolarHBondContact O-CB 3.46Å; R94-S97 PolarHBondContact O-N 3.5Å; M95-S97 VanDerWaalsContact C-N 3.32Å; M95-S97 PolarHBondContact O-N 2.91Å; S97-M100 PolarHBondContact O-N 3.19Å; S97-Q101 WeakPolarHBondContact O-CB 3.47Å; S97-Q101 VanDerWaalsContact O-CG 3.27Å; S97-Q101 WeakPolarHBondContact O-CG 3.21Å; S97-Q101 PolarHBondContact O-N 3.23Å
98	V	89.6	Confident	90.6	Very high	41 Å²	41	50.2 Å²	50.2	25%	0.248	25%	0.251	C	S	.	.	H	α-helix	trans	-65	-43.7	177.5	173.9	0	0	0	0	110.9	F79 R94 M95 M96 M100 Q101 D102	F79-V98 HydrophobicContact CE1-CG2 4.44Å; F79-V98 HydrophobicContact CZ-CB 4.16Å; F79-V98 HydrophobicContact CZ-CG2 3.73Å; R94-V98 PolarHBondContact O-N 3.47Å; M95-V98 PolarHBondContact O-N 2.89Å; M96-V98 PolarHBondContact O-N 3.18Å; V98-M100 PolarHBondContact O-N 2.89Å; V98-Q101 PolarHBondContact O-N 3.26Å; V98-D102 PolarHBondContact O-N 3.24Å
99	K	90.7	Very high	90.5	Very high	27 Å²	27	45.6 Å²	45.6	12%	0.117	23%	0.229	C	C	.	.	H	α-helix	trans	-63.1	-38.7	179.5	-75.9	-67.3	-62.9	161.4	0	113.4	M60 F65 E71 L75 M95 M96 K103	M60-K99 HydrophobicContact CE-CD 4.5Å; M60-K99 HydrophobicContact CE-CG 4.41Å; F65-K99 HydrophobicContact CD1-CB 4.43Å; F65-K99 HydrophobicContact CE1-CB 3.83Å; F65-K99 VanDerWaalsContact CE1-O 3.3Å; F65-K99 WeakPolarHBondContact CE1-O 3.46Å; F65-K99 HydrophobicContact CE2-CB 4.15Å; F65-K99 HydrophobicContact CZ-CB 3.68Å; F65-K99 WeakPolarHBondContact CZ-O 3.37Å; E71-K99 WeakPolarHBondContact OE1-CE 3.35Å; E71-K99 IonicContact OE1-NZ 3.68Å; E71-K99 PolarHBondContact OE1-NZ 3.32Å; L75-K99 HydrophobicContact CD1-CD 4.15Å; L75-K99 HydrophobicContact CD1-CG 4.18Å; L75-K99 HydrophobicContact CD2-CD 4.33Å; L75-K99 HydrophobicContact CD2-CG 4.27Å; M95-K99 WeakPolarHBondContact O-CG 3.16Å; M95-K99 PolarHBondContact O-N 3.44Å; M95-K99 VanDerWaalsContact O-N 3.09Å; M96-K99 HydrophobicContact CE-CG 4.15Å; M96-K99 PolarHBondContact O-N 3.28Å; K99-K103 WeakPolarHBondContact O-CB 3.33Å; K99-K103 PolarHBondContact O-N 2.68Å
100	M	90	Very high	90.5	Very high	5 Å²	5	44.5 Å²	44.5	3%	0.025	23%	0.226	C	C	.	.	H	α-helix	trans	-70.2	-43.4	176	-71.4	-178.8	103.1	0	0	110.8	L28 Q32 I36 F65 M96 S97 V98 D102 K103 D104	L28-M100 HydrophobicContact CD1-SD 4.5Å; L28-M100 HydrophobicContact CD2-CB 3.86Å; L28-M100 HydrophobicContact CD2-SD 4.02Å; Q32-M100 HydrophobicContact CB-CE 3.91Å; Q32-M100 HydrophobicContact CB-SD 4.18Å; Q32-M100 HydrophobicContact CG-CE 3.69Å; Q32-M100 HydrophobicContact CG-SD 4.45Å; I36-M100 HydrophobicContact CD1-SD 3.67Å; I36-M100 HydrophobicContact CG1-SD 3.94Å; F65-M100 HydrophobicContact CE2-CG 4.12Å; F65-M100 HydrophobicContact CZ-CG 3.85Å; M96-M100 WeakPolarHBondContact O-CB 3.45Å; M96-M100 VanDerWaalsContact O-CG 3.28Å; M96-M100 WeakPolarHBondContact O-CG 3.24Å; M96-M100 PolarHBondContact O-N 3.4Å; S97-M100 PolarHBondContact O-N 3.19Å; V98-M100 PolarHBondContact O-N 2.89Å; M100-D102 VanDerWaalsContact C-N 3.33Å; M100-D102 PolarHBondContact O-N 3.04Å; M100-K103 WeakPolarHBondContact O-CB 3.35Å; M100-K103 PolarHBondContact O-N 2.98Å; M100-K103 VanDerWaalsContact O-N 3.1Å; M100-D104 WeakPolarHBondContact O-CB 3.48Å; M100-D104 PolarHBondContact O-N 3Å
101	Q	86.8	Confident	90.4	Very high	63 Å²	63	46.2 Å²	46.2	29%	0.294	23%	0.225	S	C	.	.	H	α-helix	trans	-57.5	-44.4	173.3	-74.3	174.2	-16.7	0	0	112.3	H26 S97 V98 K103 D104 A105	H26-Q101 PolarHBondContact O-NE2 3.36Å; S97-Q101 WeakPolarHBondContact O-CB 3.47Å; S97-Q101 VanDerWaalsContact O-CG 3.27Å; S97-Q101 WeakPolarHBondContact O-CG 3.21Å; S97-Q101 PolarHBondContact O-N 3.23Å; V98-Q101 PolarHBondContact O-N 3.26Å; Q101-K103 VanDerWaalsContact C-N 3.31Å; Q101-K103 PolarHBondContact O-N 3.48Å; Q101-D104 PolarHBondContact O-N 2.99Å; Q101-A105 WeakPolarHBondContact O-CB 3.4Å; Q101-A105 PolarHBondContact O-N 3.47Å
102	D	86.2	Confident	90.4	Very high	97 Å²	97	46.5 Å²	46.5	52%	0.519	23%	0.229	S	C	.	.	H	α-helix	trans	-62.8	-38.4	176.2	-80.2	-14.6	0	0	0	112.3	V98 M100 K106	V98-D102 PolarHBondContact O-N 3.24Å; M100-D102 VanDerWaalsContact C-N 3.33Å; M100-D102 PolarHBondContact O-N 3.04Å; D102-K106 WeakPolarHBondContact O-CB 3.49Å; D102-K106 PolarHBondContact O-N 3.47Å
103	K	87.1	Confident	90.5	Very high	75 Å²	75	47 Å²	47	33%	0.326	23%	0.231	S	C	.	.	H	α-helix	trans	-65.7	-48.3	176.7	-164.6	-169.7	76.8	178.2	0	110.3	F65 K99 M100 Q101 A105 K106 E107	F65-K103 HydrophobicContact CE1-CB 4.11Å; F65-K103 HydrophobicContact CE1-CD 4.23Å; F65-K103 HydrophobicContact CE1-CG 4.49Å; F65-K103 HydrophobicContact CZ-CD 4.48Å; K99-K103 WeakPolarHBondContact O-CB 3.33Å; K99-K103 PolarHBondContact O-N 2.68Å; M100-K103 WeakPolarHBondContact O-CB 3.35Å; M100-K103 PolarHBondContact O-N 2.98Å; M100-K103 VanDerWaalsContact O-N 3.1Å; Q101-K103 VanDerWaalsContact C-N 3.31Å; Q101-K103 PolarHBondContact O-N 3.48Å; K103-A105 PolarHBondContact O-N 2.65Å; K103-K106 WeakPolarHBondContact O-CB 3.49Å; K103-K106 PolarHBondContact O-N 3.3Å; K103-E107 VanDerWaalsContact CE-OE1 3.31Å; K103-E107 WeakPolarHBondContact CE-OE1 3.27Å; K103-E107 WeakPolarHBondContact O-CG 3.49Å; K103-E107 PolarHBondContact O-N 2.89Å
104	D	85.5	Confident	90.4	Very high	44 Å²	44	52.6 Å²	52.6	24%	0.235	25%	0.249	C	C	.	.	H	α-helix	trans	-62.5	-45.1	-179.5	-64.3	-13.8	0	0	0	110.4	Q32 M100 Q101 K106 E107 E108	Q32-D104 PolarHBondContact NE2-OD2 3.44Å; M100-D104 WeakPolarHBondContact O-CB 3.48Å; M100-D104 PolarHBondContact O-N 3Å; Q101-D104 PolarHBondContact O-N 2.99Å; D104-K106 PolarHBondContact O-N 3.02Å; D104-E107 PolarHBondContact O-N 3.32Å; D104-E108 WeakPolarHBondContact O-CG 3.47Å; D104-E108 PolarHBondContact O-N 3.48Å
105	A	87.1	Confident	90.5	Very high	30 Å²	30	53.7 Å²	53.7	25%	0.248	26%	0.262	C	S	.	.	H	α-helix	trans	-61	-43	175	0	0	0	0	0	112	Q101 K103 E108 M109	Q101-A105 WeakPolarHBondContact O-CB 3.4Å; Q101-A105 PolarHBondContact O-N 3.47Å; K103-A105 PolarHBondContact O-N 2.65Å; A105-E108 PolarHBondContact O-N 3.37Å; A105-M109 VanDerWaalsContact O-CG 3.28Å; A105-M109 WeakPolarHBondContact O-CG 3.48Å; A105-M109 PolarHBondContact O-N 3.45Å
106	K	88.3	Confident	90.6	Very high	90 Å²	90	55.5 Å²	55.5	39%	0.391	27%	0.27	S	S	.	.	H	α-helix	trans	-61.4	-45.7	174.4	-175.1	-174.3	176	-168.9	0	110.7	D102 K103 D104 E108 M109 L110 L166	D102-K106 WeakPolarHBondContact O-CB 3.49Å; D102-K106 PolarHBondContact O-N 3.47Å; K103-K106 WeakPolarHBondContact O-CB 3.49Å; K103-K106 PolarHBondContact O-N 3.3Å; D104-K106 PolarHBondContact O-N 3.02Å; K106-E108 VanDerWaalsContact C-N 3.34Å; K106-E108 PolarHBondContact O-N 2.85Å; K106-M109 WeakPolarHBondContact O-CB 3.36Å; K106-M109 PolarHBondContact O-N 3.1Å; K106-L110 HydrophobicContact CG-CD1 4.37Å; K106-L110 HydrophobicContact CG-CG 4.43Å; K106-L110 VanDerWaalsContact O-CG 3.29Å; K106-L110 WeakPolarHBondContact O-CG 3.39Å; K106-L110 PolarHBondContact O-N 3.41Å; K106-L166 HydrophobicContact CD-CD1 4.49Å; K106-L166 HydrophobicContact CG-CD1 4.26Å; K106-L166 HydrophobicContact CG-CD2 4.11Å
107	E	90	Very high	90.7	Very high	83 Å²	83	56 Å²	56	39%	0.388	27%	0.272	S	S	.	.	H	α-helix	trans	-61.6	-40.7	179.2	-74.9	-179.5	-162.2	0	0	112.2	K103 D104 L110 K111	K103-E107 VanDerWaalsContact CE-OE1 3.31Å; K103-E107 WeakPolarHBondContact CE-OE1 3.27Å; K103-E107 WeakPolarHBondContact O-CG 3.49Å; K103-E107 PolarHBondContact O-N 2.89Å; D104-E107 PolarHBondContact O-N 3.32Å; E107-L110 PolarHBondContact O-N 3.06Å; E107-K111 WeakPolarHBondContact O-CG 3.32Å; E107-K111 PolarHBondContact O-N 2.79Å
108	E	90.1	Very high	90.7	Very high	87 Å²	87	58.9 Å²	58.9	41%	0.407	29%	0.286	S	S	.	.	H	α-helix	trans	-63.5	-43.2	173.7	-71.7	-56.3	125.6	0	0	112.1	D104 A105 K106 L110 K111 A112 Y175	D104-E108 WeakPolarHBondContact O-CG 3.47Å; D104-E108 PolarHBondContact O-N 3.48Å; A105-E108 PolarHBondContact O-N 3.37Å; K106-E108 VanDerWaalsContact C-N 3.34Å; K106-E108 PolarHBondContact O-N 2.85Å; E108-L110 VanDerWaalsContact C-N 3.3Å; E108-L110 PolarHBondContact O-N 3.38Å; E108-K111 WeakPolarHBondContact O-CB 3.46Å; E108-K111 PolarHBondContact O-N 2.97Å; E108-K111 IonicContact OE1-NZ 3.9Å; E108-K111 PolarHBondContact OE1-NZ 3.31Å; E108-A112 PolarHBondContact O-N 3.15Å; E108-Y175 HydrophobicContact CB-CE1 4.37Å
109	M	91.3	Very high	90.9	Very high	8 Å²	8	60.5 Å²	60.5	4%	0.039	29%	0.293	C	S	.	.	H	α-helix	trans	-60.3	-40.7	172.6	-66.5	170.5	-173.6	0	0	111.5	A105 K106 K111 A112 F113 F165 L166 M169 K170 Y175	A105-M109 VanDerWaalsContact O-CG 3.28Å; A105-M109 WeakPolarHBondContact O-CG 3.48Å; A105-M109 PolarHBondContact O-N 3.45Å; K106-M109 WeakPolarHBondContact O-CB 3.36Å; K106-M109 PolarHBondContact O-N 3.1Å; M109-K111 VanDerWaalsContact C-N 3.33Å; M109-K111 PolarHBondContact O-N 3.14Å; M109-A112 WeakPolarHBondContact O-CB 3.31Å; M109-A112 PolarHBondContact O-N 3.43Å; M109-F113 PolarHBondContact O-N 3.34Å; M109-F165 HydrophobicContact CB-CE1 4.43Å; M109-F165 VanDerWaalsContact O-CE1 3.26Å; M109-F165 WeakPolarHBondContact O-CE1 3.42Å; M109-L166 HydrophobicContact CB-CD2 3.57Å; M109-L166 HydrophobicContact CG-CD2 4.32Å; M109-L166 HydrophobicContact SD-CD2 3.77Å; M109-M169 HydrophobicContact CE-CB 4.11Å; M109-M169 HydrophobicContact CG-CB 4.06Å; M109-M169 HydrophobicContact CG-CG 4.31Å; M109-M169 HydrophobicContact SD-CB 3.77Å; M109-K170 HydrophobicContact CE-CG 4.19Å; M109-K170 HydrophobicContact SD-CG 4.44Å; M109-Y175 HydrophobicContact CE-CD2 3.27Å; M109-Y175 HydrophobicContact CE-CE2 4.07Å; M109-Y175 HydrophobicContact CE-CG 3.75Å; M109-Y175 HydrophobicContact CG-CD2 3.94Å; M109-Y175 HydrophobicContact CG-CE2 3.76Å; M109-Y175 HydrophobicContact SD-CD2 4.46Å
110	L	92.4	Very high	91	Very high	27 Å²	27	67.7 Å²	67.7	14%	0.141	33%	0.327	C	S	.	.	H	α-helix	trans	-69.2	-29.1	177.1	-67.4	-176.9	0	0	0	113.2	K106 E107 E108 R114 E162 L166	K106-L110 HydrophobicContact CG-CD1 4.37Å; K106-L110 HydrophobicContact CG-CG 4.43Å; K106-L110 VanDerWaalsContact O-CG 3.29Å; K106-L110 WeakPolarHBondContact O-CG 3.39Å; K106-L110 PolarHBondContact O-N 3.41Å; E107-L110 PolarHBondContact O-N 3.06Å; E108-L110 VanDerWaalsContact C-N 3.3Å; E108-L110 PolarHBondContact O-N 3.38Å; L110-R114 WeakPolarHBondContact O-CG 3.35Å; L110-R114 PolarHBondContact O-N 2.84Å; L110-R114 PolarHBondContact O-NE 3.49Å; L110-E162 HydrophobicContact CD2-CG 3.23Å; L110-E162 WeakPolarHBondContact CD2-OE2 3.49Å; L110-L166 HydrophobicContact CD2-CD1 4.16Å; L110-L166 HydrophobicContact CD2-CD2 4.16Å; L110-L166 HydrophobicContact CD2-CG 4.28Å
111	K	92.3	Very high	91.3	Very high	101 Å²	101	71 Å²	71	44%	0.439	35%	0.348	S	S	.	.	H	α-helix	trans	-67.2	-43.8	169.1	-70.8	171.5	-169	169	0	110.2	E107 E108 M109 F113 R114 L115	E107-K111 WeakPolarHBondContact O-CG 3.32Å; E107-K111 PolarHBondContact O-N 2.79Å; E108-K111 WeakPolarHBondContact O-CB 3.46Å; E108-K111 PolarHBondContact O-N 2.97Å; E108-K111 IonicContact OE1-NZ 3.9Å; E108-K111 PolarHBondContact OE1-NZ 3.31Å; M109-K111 VanDerWaalsContact C-N 3.33Å; M109-K111 PolarHBondContact O-N 3.14Å; K111-F113 PolarHBondContact O-N 3.45Å; K111-R114 PolarHBondContact O-N 3.44Å; K111-L115 PolarHBondContact O-N 3.06Å
112	A	92.4	Very high	91.7	Very high	18 Å²	18	69.9 Å²	69.9	15%	0.149	35%	0.353	C	S	.	.	H	α-helix	trans	-60.9	-44.4	175.4	0	0	0	0	0	111.7	E108 M109 R114 L115 F116 F165 M169	E108-A112 PolarHBondContact O-N 3.15Å; M109-A112 WeakPolarHBondContact O-CB 3.31Å; M109-A112 PolarHBondContact O-N 3.43Å; A112-R114 VanDerWaalsContact C-N 3.27Å; A112-R114 PolarHBondContact O-N 3.38Å; A112-L115 WeakPolarHBondContact O-CB 3.43Å; A112-L115 PolarHBondContact O-N 3.1Å; A112-F116 VanDerWaalsContact O-CD2 3.23Å; A112-F116 WeakPolarHBondContact O-CD2 3.39Å; A112-F116 PolarHBondContact O-N 2.82Å; A112-F165 HydrophobicContact CB-CE1 4.48Å; A112-F165 HydrophobicContact CB-CZ 4.18Å; A112-M169 HydrophobicContact CB-CE 4.19Å
113	F	95.1	Very high	92.3	Very high	10 Å²	10	68.2 Å²	68.2	4%	0.044	34%	0.341	C	S	.	.	H	α-helix	trans	-52.1	-46	175.2	-177.4	-91.7	0	0	0	111.9	M109 K111 L115 F116 D117 G122 I124 F165	M109-F113 PolarHBondContact O-N 3.34Å; K111-F113 PolarHBondContact O-N 3.45Å; F113-L115 PolarHBondContact O-N 3.32Å; F113-F116 WeakPolarHBondContact O-CA 3.33Å; F113-F116 WeakPolarHBondContact O-CB 3.41Å; F113-F116 PolarHBondContact O-N 3.34Å; F113-D117 HydrophobicContact CD1-CB 4.38Å; F113-D117 HydrophobicContact CE1-CB 3.97Å; F113-D117 HydrophobicContact CZ-CB 4.49Å; F113-D117 PolarHBondContact O-N 3.31Å; F113-G122 WeakPolarHBondContact CZ-O 3.2Å; F113-I124 HydrophobicContact CD2-CD1 3.54Å; F113-I124 HydrophobicContact CD2-CG1 3.97Å; F113-I124 HydrophobicContact CE2-CD1 3.61Å; F113-I124 HydrophobicContact CE2-CG1 3.6Å; F113-I124 HydrophobicContact CG-CD1 4.42Å; F113-I124 HydrophobicContact CZ-CG1 4.06Å; F113-F165 HydrophobicContact CB-CD1 3.94Å; F113-F165 HydrophobicContact CB-CE1 3.88Å; F113-F165 HydrophobicContact CB-CG 4.46Å; F113-F165 HydrophobicContact CB-CZ 4.31Å; F113-F165 HydrophobicContact CD2-CB 3.59Å; F113-F165 AromaticContact CD2-CD1 3.83Å; F113-F165 HydrophobicContact CD2-CD1 3.83Å; F113-F165 AromaticContact CD2-CD2 4Å; F113-F165 HydrophobicContact CD2-CD2 4Å; F113-F165 HydrophobicContact CD2-CE1 4.46Å; F113-F165 AromaticContact CD2-CG 3.55Å; F113-F165 HydrophobicContact CD2-CG 3.55Å; F113-F165 HydrophobicContact CE2-CB 3.93Å; F113-F165 HydrophobicContact CE2-CG 4.33Å; F113-F165 HydrophobicContact CG-CD1 4.38Å; F113-F165 HydrophobicContact CG-CG 4.49Å
114	R	94	Very high	92.8	Very high	164 Å²	164	65 Å²	65	62%	0.619	33%	0.328	S	S	*	.	H	α-helix	trans	-66.5	-17.7	177.7	-74.3	-177.3	-91.1	-169.5	-7	114.6	L110 K111 A112	L110-R114 WeakPolarHBondContact O-CG 3.35Å; L110-R114 PolarHBondContact O-N 2.84Å; L110-R114 PolarHBondContact O-NE 3.49Å; K111-R114 PolarHBondContact O-N 3.44Å; A112-R114 VanDerWaalsContact C-N 3.27Å; A112-R114 PolarHBondContact O-N 3.38Å
115	L	93	Very high	93.3	Very high	129 Å²	129	63.9 Å²	63.9	68%	0.675	32%	0.323	S	S	*	.	H	α-helix	trans	-76.7	-28.1	170.6	-62.6	174.6	0	0	0	111.9	K111 A112 F113 R131	K111-L115 PolarHBondContact O-N 3.06Å; A112-L115 WeakPolarHBondContact O-CB 3.43Å; A112-L115 PolarHBondContact O-N 3.1Å; F113-L115 PolarHBondContact O-N 3.32Å; L115-R131 PolarHBondContact O-NH2 3.41Å
116	F	94.7	Very high	93.8	Very high	39 Å²	39	65.1 Å²	65.1	17%	0.171	32%	0.323	C	S	.	.	H	α-helix	trans	-77.4	-57.1	171.9	-67.8	-89.4	0	0	0	110.3	A112 F113 D118 I124 N128 L129 R131 V132 F165	A112-F116 VanDerWaalsContact O-CD2 3.23Å; A112-F116 WeakPolarHBondContact O-CD2 3.39Å; A112-F116 PolarHBondContact O-N 2.82Å; F113-F116 WeakPolarHBondContact O-CA 3.33Å; F113-F116 WeakPolarHBondContact O-CB 3.41Å; F113-F116 PolarHBondContact O-N 3.34Å; F116-D118 VanDerWaalsContact C-N 3.29Å; F116-D118 PolarHBondContact O-N 3.37Å; F116-I124 HydrophobicContact CB-CB 4.42Å; F116-I124 HydrophobicContact CB-CD1 3.53Å; F116-I124 HydrophobicContact CB-CG1 3.61Å; F116-I124 HydrophobicContact CB-CG2 3.98Å; F116-I124 HydrophobicContact CD1-CG2 4.41Å; F116-I124 HydrophobicContact CD2-CD1 4.15Å; F116-I124 HydrophobicContact CG-CD1 3.87Å; F116-I124 HydrophobicContact CG-CG1 4.44Å; F116-I124 HydrophobicContact CG-CG2 4.48Å; F116-N128 VanDerWaalsContact O-CB 3.25Å; F116-N128 WeakPolarHBondContact O-CB 3.25Å; F116-N128 PolarHBondContact O-ND2 3.45Å; F116-L129 HydrophobicContact CD1-CD1 4.11Å; F116-L129 HydrophobicContact CE1-CD1 3.79Å; F116-R131 PolarHBondContact O-NH2 3Å; F116-V132 HydrophobicContact CD1-CB 3.8Å; F116-V132 HydrophobicContact CD1-CG1 3.96Å; F116-V132 HydrophobicContact CD1-CG2 3.64Å; F116-V132 HydrophobicContact CE1-CB 3.74Å; F116-V132 HydrophobicContact CE1-CG1 3.47Å; F116-V132 VanDerWaalsContact CE1-CG1 3.47Å; F116-V132 HydrophobicContact CE1-CG2 4.07Å; F116-V132 HydrophobicContact CG-CG2 4.2Å; F116-V132 HydrophobicContact CZ-CG1 3.93Å; F116-F165 AromaticContact CD2-CE2 3.97Å; F116-F165 HydrophobicContact CD2-CE2 3.97Å; F116-F165 HydrophobicContact CD2-CZ 4.26Å; F116-F165 AromaticContact CE2-CE2 3.92Å; F116-F165 HydrophobicContact CE2-CE2 3.92Å; F116-F165 HydrophobicContact CE2-CZ 4.14Å
117	D	96.1	Very high	94.2	Very high	9 Å²	9	67.9 Å²	67.9	5%	0.048	34%	0.335	C	S	.	.			trans	-79.5	66.6	-179.6	-177.9	34.3	0	0	0	112.2	F113 D119 E120 T121 G122 K123	F113-D117 HydrophobicContact CD1-CB 4.38Å; F113-D117 HydrophobicContact CE1-CB 3.97Å; F113-D117 HydrophobicContact CZ-CB 4.49Å; F113-D117 PolarHBondContact O-N 3.31Å; D117-D119 VanDerWaalsContact C-N 3.29Å; D117-E120 PolarHBondContact O-N 2.93Å; D117-E120 PolarHBondContact OD1-N 3.16Å; D117-T121 PolarHBondContact OD1-N 3.45Å; D117-T121 PolarHBondContact OD1-OG1 2.65Å; D117-T121 PolarHBondContact OD2-N 2.7Å; D117-G122 VanDerWaalsContact OD2-CA 3.24Å; D117-G122 WeakPolarHBondContact OD2-CA 3.44Å; D117-G122 PolarHBondContact OD2-N 3.49Å; D117-K123 VanDerWaalsContact CG-O 3.3Å; D117-K123 VanDerWaalsContact OD1-O 3.11Å; D117-K123 PolarHBondContact OD2-N 3.18Å
118	D	91.4	Very high	94.5	Very high	90 Å²	90	64 Å²	64	48%	0.481	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-17	179	67.1	-45.1	0	0	0	113.9	F116 E120 N128 R131	F116-D118 VanDerWaalsContact C-N 3.29Å; F116-D118 PolarHBondContact O-N 3.37Å; D118-E120 VanDerWaalsContact C-N 3.33Å; D118-N128 PolarHBondContact OD1-ND2 3.19Å; D118-R131 VanDerWaalsContact CG-NH2 3.28Å; D118-R131 IonicContact OD1-CZ 2.67Å; D118-R131 VanDerWaalsContact OD1-CZ 3.24Å; D118-R131 IonicContact OD1-NH1 3.21Å; D118-R131 PolarHBondContact OD1-NH1 2.98Å; D118-R131 IonicContact OD1-NH2 3.68Å; D118-R131 PolarHBondContact OD1-NH2 3.39Å; D118-R131 VanDerWaalsContact OD1-NH2 3.17Å; D118-R131 IonicContact OD2-CZ 2.82Å; D118-R131 IonicContact OD2-NE 2.69Å; D118-R131 IonicContact OD2-NH1 2.69Å; D118-R131 PolarHBondContact OD2-NH1 2.95Å; D118-R131 IonicContact OD2-NH2 2.58Å
119	D	94.4	Very high	94.8	Very high	75 Å²	75	60.7 Å²	60.7	40%	0.401	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	7.4	173	52.4	-12	0	0	0	113.3	D117 T121 N128	D117-D119 VanDerWaalsContact C-N 3.29Å; D119-T121 VanDerWaalsContact C-N 3.25Å; D119-T121 HydrophobicContact CB-CG2 4.31Å; D119-T121 PolarHBondContact O-N 3.09Å; D119-N128 PolarHBondContact OD1-ND2 3.37Å
120	E	93.8	Very high	95	Very high	177 Å²	177	64.5 Å²	64.5	83%	0.827	32%	0.319	S	S	*	.			trans	54.4	37.7	170.4	-56.7	-174.3	116.1	0	0	113.6	D117 D118 G122	D117-E120 PolarHBondContact O-N 2.93Å; D117-E120 PolarHBondContact OD1-N 3.16Å; D118-E120 VanDerWaalsContact C-N 3.33Å; E120-G122 VanDerWaalsContact C-N 3.28Å
121	T	95.9	Very high	95.2	Very high	75 Å²	75	66 Å²	66	46%	0.46	32%	0.323	S	S	.	.	S	Bend	trans	-78	-17.2	179.1	67.4	0	0	0	0	112.6	D117 D119 K123	D117-T121 PolarHBondContact OD1-N 3.45Å; D117-T121 PolarHBondContact OD1-OG1 2.65Å; D117-T121 PolarHBondContact OD2-N 2.7Å; D119-T121 VanDerWaalsContact C-N 3.25Å; D119-T121 HydrophobicContact CB-CG2 4.31Å; D119-T121 PolarHBondContact O-N 3.09Å; T121-K123 VanDerWaalsContact C-N 3.32Å; T121-K123 PolarHBondContact OG1-N 3.14Å; T121-K123 VanDerWaalsContact OG1-N 3.16Å; T121-K123 PolarHBondContact OG1-O 3.39Å
122	G	95.8	Very high	95.3	Very high	40 Å²	40	61.9 Å²	61.9	41%	0.412	31%	0.306	S	S	.	.	S	Bend	trans	83.7	7.6	-169.9	0	0	0	0	0	113.4	F113 D117 E120	F113-G122 WeakPolarHBondContact CZ-O 3.2Å; D117-G122 VanDerWaalsContact OD2-CA 3.24Å; D117-G122 WeakPolarHBondContact OD2-CA 3.44Å; D117-G122 PolarHBondContact OD2-N 3.49Å; E120-G122 VanDerWaalsContact C-N 3.28Å
123	K	97.7	Very high	95.4	Very high	61 Å²	61	61.5 Å²	61.5	27%	0.265	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	154.2	-175.8	-60.6	-177.4	-177.8	-174.9	0	111.6	D117 T121 D157 E159 V160 N161	D117-K123 VanDerWaalsContact CG-O 3.3Å; D117-K123 VanDerWaalsContact OD1-O 3.11Å; D117-K123 PolarHBondContact OD2-N 3.18Å; T121-K123 VanDerWaalsContact C-N 3.32Å; T121-K123 PolarHBondContact OG1-N 3.14Å; T121-K123 VanDerWaalsContact OG1-N 3.16Å; T121-K123 PolarHBondContact OG1-O 3.39Å; K123-D157 WeakPolarHBondContact CE-OD2 3.34Å; K123-D157 IonicContact NZ-OD2 2.98Å; K123-D157 PolarHBondContact NZ-OD2 3.17Å; K123-E159 HydrophobicContact CB-CB 4Å; K123-E159 HydrophobicContact CD-CB 3.97Å; K123-E159 WeakPolarHBondContact CD-OE2 3.37Å; K123-E159 IonicContact NZ-OE2 2.79Å; K123-V160 CarbonylContact C-O 3.58Å; K123-V160 WeakPolarHBondContact CA-O 3.43Å; K123-N161 HydrophobicContact CG-CB 4.43Å
124	I	97.1	Very high	95.3	Very high	7 Å²	7	69.4 Å²	69.4	4%	0.036	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	109	173.8	-58.2	170.3	0	0	0	108.2	F113 F116 N128 L129 V160 F165	F113-I124 HydrophobicContact CD2-CD1 3.54Å; F113-I124 HydrophobicContact CD2-CG1 3.97Å; F113-I124 HydrophobicContact CE2-CD1 3.61Å; F113-I124 HydrophobicContact CE2-CG1 3.6Å; F113-I124 HydrophobicContact CG-CD1 4.42Å; F113-I124 HydrophobicContact CZ-CG1 4.06Å; F116-I124 HydrophobicContact CB-CB 4.42Å; F116-I124 HydrophobicContact CB-CD1 3.53Å; F116-I124 HydrophobicContact CB-CG1 3.61Å; F116-I124 HydrophobicContact CB-CG2 3.98Å; F116-I124 HydrophobicContact CD1-CG2 4.41Å; F116-I124 HydrophobicContact CD2-CD1 4.15Å; F116-I124 HydrophobicContact CG-CD1 3.87Å; F116-I124 HydrophobicContact CG-CG1 4.44Å; F116-I124 HydrophobicContact CG-CG2 4.48Å; I124-N128 HydrophobicContact CG2-CB 4Å; I124-L129 HydrophobicContact CG2-CB 4.31Å; I124-V160 HydrophobicContact CB-CB 4.22Å; I124-V160 PolarHBondContact N-O 2.95Å; I124-V160 PolarHBondContact O-N 3.45Å; I124-F165 HydrophobicContact CD1-CD2 3.49Å; I124-F165 VanDerWaalsContact CD1-CD2 3.49Å; I124-F165 HydrophobicContact CD1-CE2 3.82Å; I124-F165 HydrophobicContact CD1-CG 4.28Å
125	S	97.3	Very high	95.3	Very high	21 Å²	21	68.2 Å²	68.2	15%	0.147	34%	0.338	C	S	.	.			trans	-82.2	167.3	172.3	76.9	0	0	0	0	112	K127 N128 L129 E159	S125-K127 PolarHBondContact O-N 3.26Å; S125-K127 PolarHBondContact OG-N 2.82Å; S125-N128 VanDerWaalsContact CB-OD1 3.3Å; S125-N128 WeakPolarHBondContact CB-OD1 3.28Å; S125-N128 PolarHBondContact N-OD1 2.94Å; S125-N128 WeakPolarHBondContact O-CB 3.47Å; S125-N128 PolarHBondContact O-N 3.39Å; S125-N128 VanDerWaalsContact O-N 3.09Å; S125-N128 PolarHBondContact OG-N 3.28Å; S125-N128 PolarHBondContact OG-OD1 3.47Å; S125-L129 PolarHBondContact O-N 2.86Å; S125-E159 WeakPolarHBondContact CB-OE1 3.47Å
126	F	97.1	Very high	95.3	Very high	56 Å²	56	68 Å²	68	25%	0.246	34%	0.337	C	S	.	.	H	α-helix	trans	-51.6	-38.7	170.1	-174.8	-89.9	0	0	0	113.1	L129 K130 D142 L145 Q146 I149	F126-L129 PolarHBondContact O-N 3.46Å; F126-K130 HydrophobicContact CD1-CD 4.46Å; F126-K130 HydrophobicContact CE1-CB 4.45Å; F126-K130 HydrophobicContact CE1-CD 3.69Å; F126-K130 HydrophobicContact CZ-CD 4.3Å; F126-K130 VanDerWaalsContact O-CB 3.22Å; F126-K130 WeakPolarHBondContact O-CB 3.3Å; F126-K130 PolarHBondContact O-N 2.86Å; F126-D142 WeakPolarHBondContact CE2-O 3.41Å; F126-D142 HydrophobicContact CZ-CB 3.83Å; F126-L145 HydrophobicContact CD2-CB 4.31Å; F126-L145 HydrophobicContact CE2-CB 3.63Å; F126-L145 HydrophobicContact CZ-CB 4.14Å; F126-L145 HydrophobicContact CZ-CD1 4.31Å; F126-Q146 HydrophobicContact CE2-CB 4.28Å; F126-I149 HydrophobicContact CB-CD1 3.83Å; F126-I149 HydrophobicContact CD2-CD1 4.15Å; F126-I149 HydrophobicContact CG-CD1 4.49Å
127	K	96.5	Very high	95.2	Very high	149 Å²	149	68.5 Å²	68.5	65%	0.648	35%	0.354	S	S	*	.	H	α-helix	trans	-66.7	-42.5	179.4	-177.9	-171.3	167.9	-155.2	0	111.3	S125 R131	S125-K127 PolarHBondContact O-N 3.26Å; S125-K127 PolarHBondContact OG-N 2.82Å; K127-R131 PolarHBondContact O-N 2.77Å
128	N	96.7	Very high	95.1	Very high	1 Å²	1	73.5 Å²	73.5	1%	0.005	38%	0.377	C	S	.	.	H	α-helix	trans	-60.9	-50.5	176.6	-59.3	110.6	0	0	0	110.1	F116 D118 D119 I124 S125 K130 R131 V132	F116-N128 VanDerWaalsContact O-CB 3.25Å; F116-N128 WeakPolarHBondContact O-CB 3.25Å; F116-N128 PolarHBondContact O-ND2 3.45Å; D118-N128 PolarHBondContact OD1-ND2 3.19Å; D119-N128 PolarHBondContact OD1-ND2 3.37Å; I124-N128 HydrophobicContact CG2-CB 4Å; S125-N128 VanDerWaalsContact CB-OD1 3.3Å; S125-N128 WeakPolarHBondContact CB-OD1 3.28Å; S125-N128 PolarHBondContact N-OD1 2.94Å; S125-N128 WeakPolarHBondContact O-CB 3.47Å; S125-N128 PolarHBondContact O-N 3.39Å; S125-N128 VanDerWaalsContact O-N 3.09Å; S125-N128 PolarHBondContact OG-N 3.28Å; S125-N128 PolarHBondContact OG-OD1 3.47Å; N128-K130 PolarHBondContact O-N 2.85Å; N128-R131 PolarHBondContact O-N 3.42Å; N128-V132 WeakPolarHBondContact O-CG2 3.31Å; N128-V132 PolarHBondContact O-N 2.89Å
129	L	95.8	Very high	95.1	Very high	18 Å²	18	76.9 Å²	76.9	9%	0.094	40%	0.395	C	S	.	.	H	α-helix	trans	-61.5	-44.9	-179.3	-172.1	63.5	0	0	0	112	F116 I124 S125 F126 R131 V132 A133 L145 M148 I149	F116-L129 HydrophobicContact CD1-CD1 4.11Å; F116-L129 HydrophobicContact CE1-CD1 3.79Å; I124-L129 HydrophobicContact CG2-CB 4.31Å; S125-L129 PolarHBondContact O-N 2.86Å; F126-L129 PolarHBondContact O-N 3.46Å; L129-R131 VanDerWaalsContact C-N 3.34Å; L129-R131 PolarHBondContact O-N 3.15Å; L129-V132 PolarHBondContact O-N 3.39Å; L129-A133 WeakPolarHBondContact O-CB 3.35Å; L129-A133 PolarHBondContact O-N 3.15Å; L129-L145 HydrophobicContact CD2-CB 4.4Å; L129-L145 HydrophobicContact CD2-CD2 4.05Å; L129-L145 HydrophobicContact CG-CD2 3.95Å; L129-M148 HydrophobicContact CD1-CE 4.1Å; L129-M148 HydrophobicContact CD2-CB 3.94Å; L129-M148 HydrophobicContact CD2-CE 4.28Å; L129-M148 HydrophobicContact CD2-SD 4.29Å; L129-I149 HydrophobicContact CD2-CG1 4.07Å
130	K	95.9	Very high	95	Very high	88 Å²	88	76.1 Å²	76.1	38%	0.383	39%	0.391	S	S	.	.	H	α-helix	trans	-62.4	-38	177.2	-173.4	164.4	179.5	168.4	0	112.7	F126 N128 K134 D142 L145	F126-K130 HydrophobicContact CD1-CD 4.46Å; F126-K130 HydrophobicContact CE1-CB 4.45Å; F126-K130 HydrophobicContact CE1-CD 3.69Å; F126-K130 HydrophobicContact CZ-CD 4.3Å; F126-K130 VanDerWaalsContact O-CB 3.22Å; F126-K130 WeakPolarHBondContact O-CB 3.3Å; F126-K130 PolarHBondContact O-N 2.86Å; N128-K130 PolarHBondContact O-N 2.85Å; K130-K134 WeakPolarHBondContact O-CB 3.32Å; K130-K134 PolarHBondContact O-N 3.31Å; K130-D142 VanDerWaalsContact CE-OD1 3.24Å; K130-D142 WeakPolarHBondContact CE-OD1 3.44Å; K130-D142 IonicContact NZ-OD1 3.55Å; K130-D142 PolarHBondContact NZ-OD1 3.16Å; K130-D142 IonicContact NZ-OD2 2.59Å; K130-D142 PolarHBondContact NZ-OD2 2.94Å; K130-L145 HydrophobicContact CB-CD1 3.79Å; K130-L145 HydrophobicContact CD-CD1 4.25Å; K130-L145 HydrophobicContact CG-CD1 3.84Å
131	R	95.6	Very high	95.1	Very high	59 Å²	59	70.9 Å²	70.9	22%	0.223	37%	0.37	C	S	.	.	H	α-helix	trans	-61.8	-53.9	173.8	-176.7	-165.4	65.4	-109.8	-2.4	110.1	L115 F116 D118 K127 N128 L129 A133 K134 E135	L115-R131 PolarHBondContact O-NH2 3.41Å; F116-R131 PolarHBondContact O-NH2 3Å; D118-R131 VanDerWaalsContact CG-NH2 3.28Å; D118-R131 IonicContact OD1-CZ 2.67Å; D118-R131 VanDerWaalsContact OD1-CZ 3.24Å; D118-R131 IonicContact OD1-NH1 3.21Å; D118-R131 PolarHBondContact OD1-NH1 2.98Å; D118-R131 IonicContact OD1-NH2 3.68Å; D118-R131 PolarHBondContact OD1-NH2 3.39Å; D118-R131 VanDerWaalsContact OD1-NH2 3.17Å; D118-R131 IonicContact OD2-CZ 2.82Å; D118-R131 IonicContact OD2-NE 2.69Å; D118-R131 IonicContact OD2-NH1 2.69Å; D118-R131 PolarHBondContact OD2-NH1 2.95Å; D118-R131 IonicContact OD2-NH2 2.58Å; K127-R131 PolarHBondContact O-N 2.77Å; N128-R131 PolarHBondContact O-N 3.42Å; L129-R131 VanDerWaalsContact C-N 3.34Å; L129-R131 PolarHBondContact O-N 3.15Å; R131-A133 PolarHBondContact O-N 2.76Å; R131-K134 WeakPolarHBondContact O-CB 3.45Å; R131-K134 PolarHBondContact O-N 2.9Å; R131-K134 VanDerWaalsContact O-N 3.14Å; R131-E135 WeakPolarHBondContact CD-OE1 3.48Å; R131-E135 HydrophobicContact CG-CG 4.41Å; R131-E135 WeakPolarHBondContact CG-OE1 3.44Å; R131-E135 IonicContact NE-OE1 3.24Å; R131-E135 PolarHBondContact O-N 3.39Å
132	V	94.5	Very high	95.2	Very high	14 Å²	14	70.7 Å²	70.7	9%	0.085	37%	0.367	C	S	.	.	H	α-helix	trans	-62.4	-42.5	-176.1	176.1	0	0	0	0	111.3	F116 N128 L129 K134 E135 L136	F116-V132 HydrophobicContact CD1-CB 3.8Å; F116-V132 HydrophobicContact CD1-CG1 3.96Å; F116-V132 HydrophobicContact CD1-CG2 3.64Å; F116-V132 HydrophobicContact CE1-CB 3.74Å; F116-V132 HydrophobicContact CE1-CG1 3.47Å; F116-V132 VanDerWaalsContact CE1-CG1 3.47Å; F116-V132 HydrophobicContact CE1-CG2 4.07Å; F116-V132 HydrophobicContact CG-CG2 4.2Å; F116-V132 HydrophobicContact CZ-CG1 3.93Å; N128-V132 WeakPolarHBondContact O-CG2 3.31Å; N128-V132 PolarHBondContact O-N 2.89Å; L129-V132 PolarHBondContact O-N 3.39Å; V132-K134 VanDerWaalsContact C-N 3.28Å; V132-K134 PolarHBondContact O-N 3.17Å; V132-E135 PolarHBondContact O-N 3.14Å; V132-E135 VanDerWaalsContact O-N 3.14Å; V132-L136 HydrophobicContact CG1-CD1 3.84Å; V132-L136 HydrophobicContact CG1-CG 4.2Å; V132-L136 WeakPolarHBondContact O-CG 3.29Å; V132-L136 PolarHBondContact O-N 3.03Å
133	A	93.9	Very high	95.2	Very high	10 Å²	10	75.1 Å²	75.1	8%	0.083	38%	0.377	C	S	.	.	H	α-helix	trans	-55.6	-44.3	175	0	0	0	0	0	111.8	L129 R131 L136 G137 E138 L140 L145	L129-A133 WeakPolarHBondContact O-CB 3.35Å; L129-A133 PolarHBondContact O-N 3.15Å; R131-A133 PolarHBondContact O-N 2.76Å; A133-L136 PolarHBondContact O-N 3.45Å; A133-G137 PolarHBondContact O-N 2.7Å; A133-G137 VanDerWaalsContact O-N 3.17Å; A133-E138 HydrophobicContact CB-CB 4.46Å; A133-E138 PolarHBondContact O-N 3.37Å; A133-L140 HydrophobicContact CB-CD1 4.35Å; A133-L145 HydrophobicContact CB-CD2 4.02Å
134	K	93.9	Very high	95.1	Very high	175 Å²	175	76.1 Å²	76.1	76%	0.761	38%	0.382	S	S	*	.	H	α-helix	trans	-65.8	-40.2	176.4	-174.6	-179.6	177.8	-176.8	0	112.8	K130 R131 V132 L136 G137	K130-K134 WeakPolarHBondContact O-CB 3.32Å; K130-K134 PolarHBondContact O-N 3.31Å; R131-K134 WeakPolarHBondContact O-CB 3.45Å; R131-K134 PolarHBondContact O-N 2.9Å; R131-K134 VanDerWaalsContact O-N 3.14Å; V132-K134 VanDerWaalsContact C-N 3.28Å; V132-K134 PolarHBondContact O-N 3.17Å; K134-L136 VanDerWaalsContact C-N 3.33Å; K134-G137 PolarHBondContact O-N 3.48Å
135	E	93.2	Very high	95.1	Very high	139 Å²	139	75.9 Å²	75.9	65%	0.65	38%	0.381	S	S	*	.	H	α-helix	trans	-66.4	-35	177.6	-73.7	177.5	-178.3	0	0	112.4	R131 V132 G137	R131-E135 WeakPolarHBondContact CD-OE1 3.48Å; R131-E135 HydrophobicContact CG-CG 4.41Å; R131-E135 WeakPolarHBondContact CG-OE1 3.44Å; R131-E135 IonicContact NE-OE1 3.24Å; R131-E135 PolarHBondContact O-N 3.39Å; V132-E135 PolarHBondContact O-N 3.14Å; V132-E135 VanDerWaalsContact O-N 3.14Å; E135-G137 VanDerWaalsContact C-N 3.25Å; E135-G137 PolarHBondContact O-N 2.83Å
136	L	93.1	Very high	95	Very high	124 Å²	124	78.3 Å²	78.3	65%	0.649	39%	0.39	S	S	*	.	H	α-helix	trans	-76.9	-10.6	174.5	-65.3	176.9	0	0	0	113.4	V132 A133 K134 E138	V132-L136 HydrophobicContact CG1-CD1 3.84Å; V132-L136 HydrophobicContact CG1-CG 4.2Å; V132-L136 WeakPolarHBondContact O-CG 3.29Å; V132-L136 PolarHBondContact O-N 3.03Å; A133-L136 PolarHBondContact O-N 3.45Å; K134-L136 VanDerWaalsContact C-N 3.33Å; L136-E138 VanDerWaalsContact C-N 3.3Å; L136-E138 HydrophobicContact CB-CG 4.16Å
137	G	93.8	Very high	95	Very high	51 Å²	51	82 Å²	82	53%	0.526	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.9	19.6	-176.4	0	0	0	0	0	113.8	A133 K134 E135	A133-G137 PolarHBondContact O-N 2.7Å; A133-G137 VanDerWaalsContact O-N 3.17Å; K134-G137 PolarHBondContact O-N 3.48Å; E135-G137 VanDerWaalsContact C-N 3.25Å; E135-G137 PolarHBondContact O-N 2.83Å
138	E	93.5	Very high	94.9	Very high	114 Å²	114	79.2 Å²	79.2	53%	0.533	40%	0.399	S	S	.	.			trans	-78	128.2	173.9	-66.4	-62.9	153.6	0	0	109.7	A133 L136 L140	A133-E138 HydrophobicContact CB-CB 4.46Å; A133-E138 PolarHBondContact O-N 3.37Å; L136-E138 VanDerWaalsContact C-N 3.3Å; L136-E138 HydrophobicContact CB-CG 4.16Å; E138-L140 HydrophobicContact CB-CD1 4.4Å; E138-L140 HydrophobicContact CB-CG 4.36Å; E138-L140 PolarHBondContact O-N 3.02Å
139	N	91.5	Very high	94.9	Very high	160 Å²	160	79.2 Å²	79.2	86%	0.856	40%	0.399	S	S	*	.			trans	-96.2	65.7	-179	-64.5	-60.7	0	0	0	110.3
140	L	92.7	Very high	94.9	Very high	60 Å²	60	83 Å²	83	31%	0.314	42%	0.419	S	S	.	.			trans	-89	137.5	176.2	-63.6	169.4	0	0	0	110.4	A133 E138 E144 L145 M148	A133-L140 HydrophobicContact CB-CD1 4.35Å; E138-L140 HydrophobicContact CB-CD1 4.4Å; E138-L140 HydrophobicContact CB-CG 4.36Å; E138-L140 PolarHBondContact O-N 3.02Å; L140-E144 HydrophobicContact CB-CB 4.38Å; L140-E144 HydrophobicContact CD2-CB 4.21Å; L140-L145 HydrophobicContact CB-CD2 3.83Å; L140-L145 HydrophobicContact CB-CG 3.95Å; L140-L145 HydrophobicContact CD1-CD2 3.72Å; L140-L145 HydrophobicContact CG-CD2 4.44Å; L140-M148 HydrophobicContact CD1-SD 3.83Å
141	T	96.1	Very high	94.9	Very high	66 Å²	66	84.2 Å²	84.2	41%	0.405	43%	0.426	S	S	.	.			trans	-71.7	160.8	171.9	56.9	0	0	0	0	111.2	E143 E144 L145	T141-E143 WeakPolarHBondContact CB-OE2 3.26Å; T141-E143 PolarHBondContact O-N 3.47Å; T141-E144 WeakPolarHBondContact CB-OE2 3.38Å; T141-E144 PolarHBondContact N-OE2 3.11Å; T141-E144 PolarHBondContact O-N 3.4Å; T141-E144 WeakPolarHBondContact OG1-CB 3.48Å; T141-E144 VanDerWaalsContact OG1-CG 3.23Å; T141-E144 WeakPolarHBondContact OG1-CG 3.26Å; T141-E144 PolarHBondContact OG1-N 3.46Å; T141-E144 VanDerWaalsContact OG1-N 3.17Å; T141-E144 PolarHBondContact OG1-OE2 3.05Å; T141-L145 WeakPolarHBondContact O-CG 3.48Å; T141-L145 PolarHBondContact O-N 3.02Å
142	D	96.8	Very high	94.9	Very high	72 Å²	72	81.7 Å²	81.7	39%	0.385	42%	0.418	S	S	.	.	H	α-helix	trans	-62.5	-32.9	176.4	-76.4	4	0	0	0	110.6	F126 K130 Q146	F126-D142 WeakPolarHBondContact CE2-O 3.41Å; F126-D142 HydrophobicContact CZ-CB 3.83Å; K130-D142 VanDerWaalsContact CE-OD1 3.24Å; K130-D142 WeakPolarHBondContact CE-OD1 3.44Å; K130-D142 IonicContact NZ-OD1 3.55Å; K130-D142 PolarHBondContact NZ-OD1 3.16Å; K130-D142 IonicContact NZ-OD2 2.59Å; K130-D142 PolarHBondContact NZ-OD2 2.94Å; D142-Q146 WeakPolarHBondContact O-CB 3.33Å; D142-Q146 PolarHBondContact O-N 3.42Å
143	E	96.7	Very high	95	Very high	133 Å²	133	82.1 Å²	82.1	62%	0.621	42%	0.42	S	S	*	.	H	α-helix	trans	-64.4	-47.6	173.3	-63.6	76.9	-169	0	0	112.1	T141 L145 Q146 E147	T141-E143 WeakPolarHBondContact CB-OE2 3.26Å; T141-E143 PolarHBondContact O-N 3.47Å; E143-L145 VanDerWaalsContact C-N 3.34Å; E143-L145 PolarHBondContact O-N 2.98Å; E143-Q146 PolarHBondContact O-N 2.99Å; E143-E147 WeakPolarHBondContact O-CG 3.18Å; E143-E147 PolarHBondContact O-N 3.48Å
144	E	96	Very high	95.1	Very high	81 Å²	81	90.6 Å²	90.6	38%	0.379	45%	0.449	S	S	.	.	H	α-helix	trans	-63.3	-38.9	177.2	-75.1	165.6	130.7	0	0	112.2	L140 T141 Q146 E147 M148	L140-E144 HydrophobicContact CB-CB 4.38Å; L140-E144 HydrophobicContact CD2-CB 4.21Å; T141-E144 WeakPolarHBondContact CB-OE2 3.38Å; T141-E144 PolarHBondContact N-OE2 3.11Å; T141-E144 PolarHBondContact O-N 3.4Å; T141-E144 WeakPolarHBondContact OG1-CB 3.48Å; T141-E144 VanDerWaalsContact OG1-CG 3.23Å; T141-E144 WeakPolarHBondContact OG1-CG 3.26Å; T141-E144 PolarHBondContact OG1-N 3.46Å; T141-E144 VanDerWaalsContact OG1-N 3.17Å; T141-E144 PolarHBondContact OG1-OE2 3.05Å; E144-Q146 VanDerWaalsContact C-N 3.32Å; E144-E147 PolarHBondContact O-N 3.01Å; E144-M148 WeakPolarHBondContact O-CG 3.15Å; E144-M148 PolarHBondContact O-N 3.32Å
145	L	96	Very high	95.2	Very high	2 Å²	2	86.8 Å²	86.8	1%	0.01	44%	0.437	C	S	.	.	H	α-helix	trans	-65.8	-36.6	175.9	-67.1	174.1	0	0	0	111.8	F126 L129 K130 A133 L140 T141 E143 M148 I149	F126-L145 HydrophobicContact CD2-CB 4.31Å; F126-L145 HydrophobicContact CE2-CB 3.63Å; F126-L145 HydrophobicContact CZ-CB 4.14Å; F126-L145 HydrophobicContact CZ-CD1 4.31Å; L129-L145 HydrophobicContact CD2-CB 4.4Å; L129-L145 HydrophobicContact CD2-CD2 4.05Å; L129-L145 HydrophobicContact CG-CD2 3.95Å; K130-L145 HydrophobicContact CB-CD1 3.79Å; K130-L145 HydrophobicContact CD-CD1 4.25Å; K130-L145 HydrophobicContact CG-CD1 3.84Å; A133-L145 HydrophobicContact CB-CD2 4.02Å; L140-L145 HydrophobicContact CB-CD2 3.83Å; L140-L145 HydrophobicContact CB-CG 3.95Å; L140-L145 HydrophobicContact CD1-CD2 3.72Å; L140-L145 HydrophobicContact CG-CD2 4.44Å; T141-L145 WeakPolarHBondContact O-CG 3.48Å; T141-L145 PolarHBondContact O-N 3.02Å; E143-L145 VanDerWaalsContact C-N 3.34Å; E143-L145 PolarHBondContact O-N 2.98Å; L145-M148 HydrophobicContact CD2-SD 4.29Å; L145-M148 WeakPolarHBondContact O-CB 3.33Å; L145-M148 PolarHBondContact O-N 3.43Å; L145-I149 PolarHBondContact O-N 3.32Å
146	Q	96.6	Very high	95.4	Very high	72 Å²	72	83.2 Å²	83.2	34%	0.336	44%	0.437	S	S	.	.	H	α-helix	trans	-67.7	-43.2	175.1	-171	60.6	55.8	0	0	110.9	F126 D142 E143 E144 M148 I149 D150	F126-Q146 HydrophobicContact CE2-CB 4.28Å; D142-Q146 WeakPolarHBondContact O-CB 3.33Å; D142-Q146 PolarHBondContact O-N 3.42Å; E143-Q146 PolarHBondContact O-N 2.99Å; E144-Q146 VanDerWaalsContact C-N 3.32Å; Q146-M148 PolarHBondContact O-N 3.49Å; Q146-I149 PolarHBondContact O-N 2.89Å; Q146-D150 PolarHBondContact NE2-OD1 2.84Å; Q146-D150 PolarHBondContact O-N 3.14Å
147	E	96	Very high	95.5	Very high	133 Å²	133	80.4 Å²	80.4	62%	0.621	42%	0.423	S	S	*	.	H	α-helix	trans	-59	-35.5	175	-72.5	-178.3	178.3	0	0	112.3	E143 E144 I149 D150 E151	E143-E147 WeakPolarHBondContact O-CG 3.18Å; E143-E147 PolarHBondContact O-N 3.48Å; E144-E147 PolarHBondContact O-N 3.01Å; E147-I149 VanDerWaalsContact C-N 3.35Å; E147-D150 PolarHBondContact O-N 2.76Å; E147-E151 PolarHBondContact O-N 3.46Å
148	M	94.8	Very high	95.7	Very high	92 Å²	92	79.7 Å²	79.7	45%	0.453	42%	0.416	S	S	.	.	H	α-helix	trans	-64	-38.7	174.4	-71.8	176.6	68	0	0	112.7	L129 L140 E144 L145 Q146 A152	L129-M148 HydrophobicContact CD1-CE 4.1Å; L129-M148 HydrophobicContact CD2-CB 3.94Å; L129-M148 HydrophobicContact CD2-CE 4.28Å; L129-M148 HydrophobicContact CD2-SD 4.29Å; L140-M148 HydrophobicContact CD1-SD 3.83Å; E144-M148 WeakPolarHBondContact O-CG 3.15Å; E144-M148 PolarHBondContact O-N 3.32Å; L145-M148 HydrophobicContact CD2-SD 4.29Å; L145-M148 WeakPolarHBondContact O-CB 3.33Å; L145-M148 PolarHBondContact O-N 3.43Å; Q146-M148 PolarHBondContact O-N 3.49Å; M148-A152 PolarHBondContact O-N 2.88Å
149	I	96.7	Very high	95.9	Very high	1 Å²	1	77 Å²	77	1%	0.005	40%	0.403	C	S	.	.	H	α-helix	trans	-68.4	-49	174.5	-67.8	-179.2	0	0	0	109.3	F126 L129 L145 Q146 E147 E151 A152 D153 V160	F126-I149 HydrophobicContact CB-CD1 3.83Å; F126-I149 HydrophobicContact CD2-CD1 4.15Å; F126-I149 HydrophobicContact CG-CD1 4.49Å; L129-I149 HydrophobicContact CD2-CG1 4.07Å; L145-I149 PolarHBondContact O-N 3.32Å; Q146-I149 PolarHBondContact O-N 2.89Å; E147-I149 VanDerWaalsContact C-N 3.35Å; I149-E151 PolarHBondContact O-N 3.34Å; I149-A152 CarbonylContact O-C 3.56Å; I149-A152 WeakPolarHBondContact O-CA 3.34Å; I149-A152 PolarHBondContact O-N 3.02Å; I149-D153 HydrophobicContact CG2-CB 4.24Å; I149-D153 VanDerWaalsContact O-CB 3.31Å; I149-D153 WeakPolarHBondContact O-CB 3.5Å; I149-D153 PolarHBondContact O-N 3.33Å; I149-V160 HydrophobicContact CG1-CG2 4.43Å; I149-V160 HydrophobicContact CG2-CG2 4.3Å
150	D	96.1	Very high	96.2	Very high	98 Å²	98	69.8 Å²	69.8	52%	0.524	37%	0.365	S	S	.	.	H	α-helix	trans	-60.9	-30.4	-176.6	-62.9	-7.4	0	0	0	112.8	Q146 E147	Q146-D150 PolarHBondContact NE2-OD1 2.84Å; Q146-D150 PolarHBondContact O-N 3.14Å; E147-D150 PolarHBondContact O-N 2.76Å
151	E	94.8	Very high	96.4	Very high	112 Å²	112	68.4 Å²	68.4	52%	0.523	36%	0.358	S	S	.	.	H	α-helix	trans	-74.1	-27.7	173.7	176.1	66.8	-153.1	0	0	112.8	E147 I149 R167 I168 K171	E147-E151 PolarHBondContact O-N 3.46Å; I149-E151 PolarHBondContact O-N 3.34Å; E151-R167 PolarHBondContact O-NH2 3.33Å; E151-R167 VanDerWaalsContact O-NH2 3.13Å; E151-I168 HydrophobicContact CG-CD1 4.31Å; E151-K171 IonicContact OE1-NZ 2.68Å; E151-K171 PolarHBondContact OE1-NZ 3.35Å
152	A	96	Very high	96.3	Very high	6 Å²	6	69.1 Å²	69.1	5%	0.05	36%	0.357	C	S	.	.	H	α-helix	trans	-90.6	-45.1	-177.1	0	0	0	0	0	112.6	M148 I149 R154 V160 E164 R167 I168	M148-A152 PolarHBondContact O-N 2.88Å; I149-A152 CarbonylContact O-C 3.56Å; I149-A152 WeakPolarHBondContact O-CA 3.34Å; I149-A152 PolarHBondContact O-N 3.02Å; A152-R154 PolarHBondContact O-N 3.22Å; A152-V160 HydrophobicContact CB-CB 4.37Å; A152-V160 HydrophobicContact CB-CG1 3.81Å; A152-V160 HydrophobicContact CB-CG2 3.58Å; A152-E164 WeakPolarHBondContact O-CB 3.41Å; A152-E164 WeakPolarHBondContact O-CG 3.38Å; A152-R167 VanDerWaalsContact O-CZ 3.32Å; A152-R167 PolarHBondContact O-NH1 2.72Å; A152-R167 PolarHBondContact O-NH2 3.11Å; A152-I168 HydrophobicContact CB-CD1 4.31Å; A152-I168 HydrophobicContact CB-CG1 3.73Å
153	D	97.3	Very high	96.2	Very high	24 Å²	24	73.1 Å²	73.1	13%	0.128	37%	0.373	C	S	.	.			trans	-66.2	111.9	-177.7	179.4	6.1	0	0	0	110.9	I149 D155 G156 D157 G158	I149-D153 HydrophobicContact CG2-CB 4.24Å; I149-D153 VanDerWaalsContact O-CB 3.31Å; I149-D153 WeakPolarHBondContact O-CB 3.5Å; I149-D153 PolarHBondContact O-N 3.33Å; D153-D155 PolarHBondContact OD1-N 2.88Å; D153-G156 WeakPolarHBondContact OD1-CA 3.49Å; D153-G156 PolarHBondContact OD1-N 3.17Å; D153-G156 VanDerWaalsContact OD2-C 3.26Å; D153-G156 VanDerWaalsContact OD2-CA 3.24Å; D153-G156 WeakPolarHBondContact OD2-CA 3.41Å; D153-D157 PolarHBondContact OD1-N 2.95Å; D153-D157 PolarHBondContact OD2-N 3.46Å; D153-G158 WeakPolarHBondContact OD2-CA 3.35Å; D153-G158 PolarHBondContact OD2-N 3.32Å
154	R	95.8	Very high	96.2	Very high	188 Å²	188	67.2 Å²	67.2	71%	0.709	35%	0.345	S	S	*	.	S	Bend	trans	-103.6	-22.3	179.2	-96.8	-168.5	-167.9	179.4	-0.9	113.4	A152 E164 R167	A152-R154 PolarHBondContact O-N 3.22Å; R154-E164 PolarHBondContact N-OE1 3.26Å; R154-R167 VanDerWaalsContact CZ-CD 3.43Å
155	D	96.4	Very high	96.2	Very high	95 Å²	95	64.2 Å²	64.2	51%	0.508	33%	0.331	S	S	.	.	S	Bend	trans	-92.4	-10	178.4	66.3	25	0	0	0	112.9	D153 D157 N161 E164	D153-D155 PolarHBondContact OD1-N 2.88Å; D155-D157 WeakPolarHBondContact OD1-CB 3.42Å; D155-D157 PolarHBondContact OD1-N 3.2Å; D155-D157 VanDerWaalsContact OD1-N 3.16Å; D155-N161 PolarHBondContact OD2-ND2 3.34Å; D155-E164 PolarHBondContact N-OE1 3.28Å
156	G	96	Very high	96	Very high	63 Å²	63	64.9 Å²	64.9	65%	0.649	34%	0.335	S	S	*	.			trans	77.3	23.7	173.6	0	0	0	0	0	113	D153 G158	D153-G156 WeakPolarHBondContact OD1-CA 3.49Å; D153-G156 PolarHBondContact OD1-N 3.17Å; D153-G156 VanDerWaalsContact OD2-C 3.26Å; D153-G156 VanDerWaalsContact OD2-CA 3.24Å; D153-G156 WeakPolarHBondContact OD2-CA 3.41Å; G156-G158 VanDerWaalsContact C-N 3.3Å
157	D	96.7	Very high	95.9	Very high	65 Å²	65	64.1 Å²	64.1	35%	0.348	33%	0.329	S	S	.	.	S	Bend	trans	-83.3	-5.9	-179.1	78.6	9.6	0	0	0	114.2	K123 D153 D155 E159	K123-D157 WeakPolarHBondContact CE-OD2 3.34Å; K123-D157 IonicContact NZ-OD2 2.98Å; K123-D157 PolarHBondContact NZ-OD2 3.17Å; D153-D157 PolarHBondContact OD1-N 2.95Å; D153-D157 PolarHBondContact OD2-N 3.46Å; D155-D157 WeakPolarHBondContact OD1-CB 3.42Å; D155-D157 PolarHBondContact OD1-N 3.2Å; D155-D157 VanDerWaalsContact OD1-N 3.16Å; D157-E159 WeakPolarHBondContact OD1-CA 3.38Å; D157-E159 WeakPolarHBondContact OD1-CB 3.27Å; D157-E159 PolarHBondContact OD1-N 2.78Å
158	G	96.7	Very high	95.7	Very high	36 Å²	36	59.8 Å²	59.8	37%	0.371	31%	0.309	S	S	.	.	S	Bend	trans	84.5	7.2	178.8	0	0	0	0	0	114.1	D153 G156	D153-G158 WeakPolarHBondContact OD2-CA 3.35Å; D153-G158 PolarHBondContact OD2-N 3.32Å; G156-G158 VanDerWaalsContact C-N 3.3Å
159	E	97.5	Very high	95.4	Very high	57 Å²	57	56.6 Å²	56.6	27%	0.266	29%	0.294	S	S	.	.	S	Bend	trans	-131.5	168.4	178.7	-55.5	-175.5	117.6	0	0	110.1	K123 S125 D157	K123-E159 HydrophobicContact CB-CB 4Å; K123-E159 HydrophobicContact CD-CB 3.97Å; K123-E159 WeakPolarHBondContact CD-OE2 3.37Å; K123-E159 IonicContact NZ-OE2 2.79Å; S125-E159 WeakPolarHBondContact CB-OE1 3.47Å; D157-E159 WeakPolarHBondContact OD1-CA 3.38Å; D157-E159 WeakPolarHBondContact OD1-CB 3.27Å; D157-E159 PolarHBondContact OD1-N 2.78Å
160	V	97.7	Very high	94.9	Very high	9 Å²	9	63 Å²	63	6%	0.055	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	111.2	179.2	-174	0	0	0	0	109.8	K123 I124 I149 A152 E164 F165	K123-V160 CarbonylContact C-O 3.58Å; K123-V160 WeakPolarHBondContact CA-O 3.43Å; I124-V160 HydrophobicContact CB-CB 4.22Å; I124-V160 PolarHBondContact N-O 2.95Å; I124-V160 PolarHBondContact O-N 3.45Å; I149-V160 HydrophobicContact CG1-CG2 4.43Å; I149-V160 HydrophobicContact CG2-CG2 4.3Å; A152-V160 HydrophobicContact CB-CB 4.37Å; A152-V160 HydrophobicContact CB-CG1 3.81Å; A152-V160 HydrophobicContact CB-CG2 3.58Å; V160-E164 WeakPolarHBondContact CA-OE2 3.27Å; V160-E164 HydrophobicContact CG1-CB 3.63Å; V160-F165 HydrophobicContact CG1-CB 4.09Å
161	N	97.2	Very high	94.4	Very high	32 Å²	32	65 Å²	65	17%	0.171	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	170.3	175.7	68.6	53.2	0	0	0	112.2	K123 D155 Q163 E164 F165	K123-N161 HydrophobicContact CG-CB 4.43Å; D155-N161 PolarHBondContact OD2-ND2 3.34Å; N161-Q163 VanDerWaalsContact C-N 3.26Å; N161-Q163 PolarHBondContact O-N 3.06Å; N161-Q163 WeakPolarHBondContact OD1-CB 3.45Å; N161-Q163 PolarHBondContact OD1-N 3.44Å; N161-E164 PolarHBondContact N-OE2 3Å; N161-E164 PolarHBondContact ND2-OE2 3.18Å; N161-E164 PolarHBondContact O-N 2.85Å; N161-E164 WeakPolarHBondContact OD1-CG 3.48Å; N161-E164 PolarHBondContact OD1-N 2.9Å; N161-F165 PolarHBondContact O-N 3.47Å
162	E	95.4	Very high	93.5	Very high	81 Å²	81	63.2 Å²	63.2	38%	0.379	32%	0.322	S	S	.	.	H	α-helix	trans	-52.7	-42.2	-179.1	-172.1	-171.6	109.8	0	0	112.9	L110 F165 L166	L110-E162 HydrophobicContact CD2-CG 3.23Å; L110-E162 WeakPolarHBondContact CD2-OE2 3.49Å; E162-F165 PolarHBondContact O-N 3.19Å; E162-L166 HydrophobicContact CG-CD1 4.19Å; E162-L166 HydrophobicContact CG-CG 4.48Å; E162-L166 WeakPolarHBondContact O-CB 3.24Å; E162-L166 VanDerWaalsContact O-CG 3.24Å; E162-L166 WeakPolarHBondContact O-CG 3.27Å; E162-L166 PolarHBondContact O-N 2.93Å
163	Q	94.9	Very high	91.9	Very high	156 Å²	156	69.6 Å²	69.6	73%	0.729	36%	0.356	S	S	*	.	H	α-helix	trans	-70	-37.9	-176.2	-61.4	-172.3	4	0	0	111.7	N161 R167	N161-Q163 VanDerWaalsContact C-N 3.26Å; N161-Q163 PolarHBondContact O-N 3.06Å; N161-Q163 WeakPolarHBondContact OD1-CB 3.45Å; N161-Q163 PolarHBondContact OD1-N 3.44Å; Q163-R167 WeakPolarHBondContact O-CB 3.28Å; Q163-R167 PolarHBondContact O-N 2.78Å
164	E	96.6	Very high	89.9	Confident	8 Å²	8	73.2 Å²	73.2	4%	0.037	38%	0.375	C	S	.	.	H	α-helix	trans	-68	-44.3	176.3	-69.7	165.5	157	0	0	111.4	A152 R154 D155 V160 N161 L166 R167 I168	A152-E164 WeakPolarHBondContact O-CB 3.41Å; A152-E164 WeakPolarHBondContact O-CG 3.38Å; R154-E164 PolarHBondContact N-OE1 3.26Å; D155-E164 PolarHBondContact N-OE1 3.28Å; V160-E164 WeakPolarHBondContact CA-OE2 3.27Å; V160-E164 HydrophobicContact CG1-CB 3.63Å; N161-E164 PolarHBondContact N-OE2 3Å; N161-E164 PolarHBondContact ND2-OE2 3.18Å; N161-E164 PolarHBondContact O-N 2.85Å; N161-E164 WeakPolarHBondContact OD1-CG 3.48Å; N161-E164 PolarHBondContact OD1-N 2.9Å; E164-L166 PolarHBondContact O-N 3.48Å; E164-R167 WeakPolarHBondContact O-CB 3.49Å; E164-R167 PolarHBondContact O-N 2.83Å; E164-I168 WeakPolarHBondContact O-CG1 3.11Å; E164-I168 PolarHBondContact O-N 2.96Å
165	F	95.1	Very high	87.3	Confident	19 Å²	19	71.4 Å²	71.4	8%	0.083	37%	0.369	C	S	.	.	H	α-helix	trans	-59.4	-48.9	174.4	-178.2	-94.5	0	0	0	111.9	M109 A112 F113 F116 I124 V160 N161 E162 R167 I168 M169	M109-F165 HydrophobicContact CB-CE1 4.43Å; M109-F165 VanDerWaalsContact O-CE1 3.26Å; M109-F165 WeakPolarHBondContact O-CE1 3.42Å; A112-F165 HydrophobicContact CB-CE1 4.48Å; A112-F165 HydrophobicContact CB-CZ 4.18Å; F113-F165 HydrophobicContact CB-CD1 3.94Å; F113-F165 HydrophobicContact CB-CE1 3.88Å; F113-F165 HydrophobicContact CB-CG 4.46Å; F113-F165 HydrophobicContact CB-CZ 4.31Å; F113-F165 HydrophobicContact CD2-CB 3.59Å; F113-F165 AromaticContact CD2-CD1 3.83Å; F113-F165 HydrophobicContact CD2-CD1 3.83Å; F113-F165 AromaticContact CD2-CD2 4Å; F113-F165 HydrophobicContact CD2-CD2 4Å; F113-F165 HydrophobicContact CD2-CE1 4.46Å; F113-F165 AromaticContact CD2-CG 3.55Å; F113-F165 HydrophobicContact CD2-CG 3.55Å; F113-F165 HydrophobicContact CE2-CB 3.93Å; F113-F165 HydrophobicContact CE2-CG 4.33Å; F113-F165 HydrophobicContact CG-CD1 4.38Å; F113-F165 HydrophobicContact CG-CG 4.49Å; F116-F165 AromaticContact CD2-CE2 3.97Å; F116-F165 HydrophobicContact CD2-CE2 3.97Å; F116-F165 HydrophobicContact CD2-CZ 4.26Å; F116-F165 AromaticContact CE2-CE2 3.92Å; F116-F165 HydrophobicContact CE2-CE2 3.92Å; F116-F165 HydrophobicContact CE2-CZ 4.14Å; I124-F165 HydrophobicContact CD1-CD2 3.49Å; I124-F165 VanDerWaalsContact CD1-CD2 3.49Å; I124-F165 HydrophobicContact CD1-CE2 3.82Å; I124-F165 HydrophobicContact CD1-CG 4.28Å; V160-F165 HydrophobicContact CG1-CB 4.09Å; N161-F165 PolarHBondContact O-N 3.47Å; E162-F165 PolarHBondContact O-N 3.19Å; F165-R167 VanDerWaalsContact C-N 3.25Å; F165-R167 PolarHBondContact O-N 3.25Å; F165-I168 PolarHBondContact O-N 3.1Å; F165-I168 VanDerWaalsContact O-N 3.17Å; F165-M169 HydrophobicContact CD1-CG 3.93Å; F165-M169 HydrophobicContact CE1-CE 3.71Å; F165-M169 HydrophobicContact CE1-CG 3.56Å; F165-M169 HydrophobicContact CE1-SD 4.5Å; F165-M169 HydrophobicContact CE2-CE 4.03Å; F165-M169 HydrophobicContact CE2-CG 4.42Å; F165-M169 HydrophobicContact CG-CG 4.5Å; F165-M169 HydrophobicContact CZ-CE 3.24Å; F165-M169 HydrophobicContact CZ-CG 3.88Å; F165-M169 HydrophobicContact CZ-SD 4.35Å; F165-M169 WeakPolarHBondContact O-CB 3.48Å; F165-M169 WeakPolarHBondContact O-CG 3.45Å; F165-M169 PolarHBondContact O-N 3.04Å
166	L	92.8	Very high	86.9	Confident	16 Å²	16	70.2 Å²	70.2	8%	0.084	36%	0.362	C	S	.	.	H	α-helix	trans	-59.7	-37.2	176.4	-73.3	176.2	0	0	0	111.9	K106 M109 L110 E162 E164 K170	K106-L166 HydrophobicContact CD-CD1 4.49Å; K106-L166 HydrophobicContact CG-CD1 4.26Å; K106-L166 HydrophobicContact CG-CD2 4.11Å; M109-L166 HydrophobicContact CB-CD2 3.57Å; M109-L166 HydrophobicContact CG-CD2 4.32Å; M109-L166 HydrophobicContact SD-CD2 3.77Å; L110-L166 HydrophobicContact CD2-CD1 4.16Å; L110-L166 HydrophobicContact CD2-CD2 4.16Å; L110-L166 HydrophobicContact CD2-CG 4.28Å; E162-L166 HydrophobicContact CG-CD1 4.19Å; E162-L166 HydrophobicContact CG-CG 4.48Å; E162-L166 WeakPolarHBondContact O-CB 3.24Å; E162-L166 VanDerWaalsContact O-CG 3.24Å; E162-L166 WeakPolarHBondContact O-CG 3.27Å; E162-L166 PolarHBondContact O-N 2.93Å; E164-L166 PolarHBondContact O-N 3.48Å; L166-K170 WeakPolarHBondContact O-CB 3.35Å; L166-K170 VanDerWaalsContact O-CG 3.22Å; L166-K170 WeakPolarHBondContact O-CG 3.1Å; L166-K170 PolarHBondContact O-N 2.83Å
167	R	92.7	Very high	86.4	Confident	56 Å²	56	70.6 Å²	70.6	21%	0.211	35%	0.347	C	S	.	.	H	α-helix	trans	-63.7	-45.6	176.1	-175.2	-169.2	80.3	-134.7	10.7	111.3	E151 A152 R154 Q163 E164 F165 K170 K171	E151-R167 PolarHBondContact O-NH2 3.33Å; E151-R167 VanDerWaalsContact O-NH2 3.13Å; A152-R167 VanDerWaalsContact O-CZ 3.32Å; A152-R167 PolarHBondContact O-NH1 2.72Å; A152-R167 PolarHBondContact O-NH2 3.11Å; R154-R167 VanDerWaalsContact CZ-CD 3.43Å; Q163-R167 WeakPolarHBondContact O-CB 3.28Å; Q163-R167 PolarHBondContact O-N 2.78Å; E164-R167 WeakPolarHBondContact O-CB 3.49Å; E164-R167 PolarHBondContact O-N 2.83Å; F165-R167 VanDerWaalsContact C-N 3.25Å; F165-R167 PolarHBondContact O-N 3.25Å; R167-K170 PolarHBondContact O-N 3.4Å; R167-K171 WeakPolarHBondContact O-CB 3.47Å; R167-K171 PolarHBondContact O-N 3.36Å
168	I	91.8	Very high	85.8	Confident	41 Å²	41	70.9 Å²	70.9	21%	0.21	35%	0.347	C	S	.	.	H	α-helix	trans	-66.4	-47	179.2	-66.7	-60.4	0	0	0	110.8	E151 A152 E164 F165 K170 K171 T172	E151-I168 HydrophobicContact CG-CD1 4.31Å; A152-I168 HydrophobicContact CB-CD1 4.31Å; A152-I168 HydrophobicContact CB-CG1 3.73Å; E164-I168 WeakPolarHBondContact O-CG1 3.11Å; E164-I168 PolarHBondContact O-N 2.96Å; F165-I168 PolarHBondContact O-N 3.1Å; F165-I168 VanDerWaalsContact O-N 3.17Å; I168-K170 VanDerWaalsContact C-N 3.25Å; I168-K170 PolarHBondContact O-N 2.86Å; I168-K171 PolarHBondContact O-N 2.99Å; I168-T172 PolarHBondContact O-N 3.16Å; I168-T172 VanDerWaalsContact O-N 3.07Å; I168-T172 PolarHBondContact O-OG1 3.21Å; I168-T172 VanDerWaalsContact O-OG1 3.09Å
169	M	90	Very high	85.2	Confident	26 Å²	26	72.9 Å²	72.9	13%	0.128	35%	0.345	C	S	.	.	H	α-helix	trans	-57.2	-37.6	176.6	-79	-65.9	-152.9	0	0	113	M109 A112 F165 T172 L174 Y175	M109-M169 HydrophobicContact CE-CB 4.11Å; M109-M169 HydrophobicContact CG-CB 4.06Å; M109-M169 HydrophobicContact CG-CG 4.31Å; M109-M169 HydrophobicContact SD-CB 3.77Å; A112-M169 HydrophobicContact CB-CE 4.19Å; F165-M169 HydrophobicContact CD1-CG 3.93Å; F165-M169 HydrophobicContact CE1-CE 3.71Å; F165-M169 HydrophobicContact CE1-CG 3.56Å; F165-M169 HydrophobicContact CE1-SD 4.5Å; F165-M169 HydrophobicContact CE2-CE 4.03Å; F165-M169 HydrophobicContact CE2-CG 4.42Å; F165-M169 HydrophobicContact CG-CG 4.5Å; F165-M169 HydrophobicContact CZ-CE 3.24Å; F165-M169 HydrophobicContact CZ-CG 3.88Å; F165-M169 HydrophobicContact CZ-SD 4.35Å; F165-M169 WeakPolarHBondContact O-CB 3.48Å; F165-M169 WeakPolarHBondContact O-CG 3.45Å; F165-M169 PolarHBondContact O-N 3.04Å; M169-T172 PolarHBondContact O-OG1 3.01Å; M169-L174 HydrophobicContact SD-CB 4.42Å; M169-L174 HydrophobicContact SD-CD1 3.98Å; M169-Y175 HydrophobicContact SD-CE2 4.2Å
170	K	85.9	Confident	84.4	Confident	135 Å²	135	73.9 Å²	73.9	59%	0.587	35%	0.35	S	S	*	.	H	α-helix	trans	-72.1	-36.3	174.2	-73.1	177	-179.7	-168.4	0	113	M109 L166 R167 I168 T172	M109-K170 HydrophobicContact CE-CG 4.19Å; M109-K170 HydrophobicContact SD-CG 4.44Å; L166-K170 WeakPolarHBondContact O-CB 3.35Å; L166-K170 VanDerWaalsContact O-CG 3.22Å; L166-K170 WeakPolarHBondContact O-CG 3.1Å; L166-K170 PolarHBondContact O-N 2.83Å; R167-K170 PolarHBondContact O-N 3.4Å; I168-K170 VanDerWaalsContact C-N 3.25Å; I168-K170 PolarHBondContact O-N 2.86Å; K170-T172 VanDerWaalsContact C-N 3.32Å; K170-T172 PolarHBondContact O-N 3.47Å
171	K	85	Confident	83.5	Confident	139 Å²	139	78.3 Å²	78.3	60%	0.604	37%	0.37	S	S	*	.	H	α-helix	trans	-68	-32.3	179.9	-175.9	-179.8	172.7	-174.2	0	112	E151 R167 I168 N173	E151-K171 IonicContact OE1-NZ 2.68Å; E151-K171 PolarHBondContact OE1-NZ 3.35Å; R167-K171 WeakPolarHBondContact O-CB 3.47Å; R167-K171 PolarHBondContact O-N 3.36Å; I168-K171 PolarHBondContact O-N 2.99Å; K171-N173 VanDerWaalsContact C-N 3.27Å; K171-N173 PolarHBondContact O-N 2.87Å
172	T	76.9	Confident	82.6	Confident	75 Å²	75	81.6 Å²	81.6	46%	0.46	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	3.8	-177.2	49.6	0	0	0	0	114.1	I168 M169 K170 L174	I168-T172 PolarHBondContact O-N 3.16Å; I168-T172 VanDerWaalsContact O-N 3.07Å; I168-T172 PolarHBondContact O-OG1 3.21Å; I168-T172 VanDerWaalsContact O-OG1 3.09Å; M169-T172 PolarHBondContact O-OG1 3.01Å; K170-T172 VanDerWaalsContact C-N 3.32Å; K170-T172 PolarHBondContact O-N 3.47Å; T172-L174 PolarHBondContact O-N 3.38Å; T172-L174 VanDerWaalsContact O-N 3.12Å; T172-L174 VanDerWaalsContact OG1-CD1 3.25Å; T172-L174 WeakPolarHBondContact OG1-CD1 3.34Å; T172-L174 WeakPolarHBondContact OG1-CG 3.36Å
173	N	61	Low	81.6	Confident	141 Å²	141	81.6 Å²	81.6	75%	0.754	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.6	34.5	-173.4	-69.4	-26.4	0	0	0	112.3	K171 Y175	K171-N173 VanDerWaalsContact C-N 3.27Å; K171-N173 PolarHBondContact O-N 2.87Å; N173-Y175 PolarHBondContact O-N 2.86Å; N173-Y175 VanDerWaalsContact O-N 3.16Å
174	L	56.4	Low	80.5	Confident	100 Å²	100	75.4 Å²	75.4	52%	0.524	36%	0.356	S	S	.	.			trans	-74.5	2.5	-179.1	-80.4	170	0	0	0	113	M169 T172	M169-L174 HydrophobicContact SD-CB 4.42Å; M169-L174 HydrophobicContact SD-CD1 3.98Å; T172-L174 PolarHBondContact O-N 3.38Å; T172-L174 VanDerWaalsContact O-N 3.12Å; T172-L174 VanDerWaalsContact OG1-CD1 3.25Å; T172-L174 WeakPolarHBondContact OG1-CD1 3.34Å; T172-L174 WeakPolarHBondContact OG1-CG 3.36Å
175	Y	41.7	Very low	79	Confident	149 Å²	149	81.5 Å²	81.5	58%	0.584	39%	0.385	S	S	*	.			trans	-147.7	0	175.8	-64.1	-87.7	0	0	0	110.7	E108 M109 M169 N173	E108-Y175 HydrophobicContact CB-CE1 4.37Å; M109-Y175 HydrophobicContact CE-CD2 3.27Å; M109-Y175 HydrophobicContact CE-CE2 4.07Å; M109-Y175 HydrophobicContact CE-CG 3.75Å; M109-Y175 HydrophobicContact CG-CD2 3.94Å; M109-Y175 HydrophobicContact CG-CE2 3.76Å; M109-Y175 HydrophobicContact SD-CD2 4.46Å; M169-Y175 HydrophobicContact SD-CE2 4.2Å; N173-Y175 PolarHBondContact O-N 2.86Å; N173-Y175 VanDerWaalsContact O-N 3.16Å

Retrieved 175 of 175 residues in 129.1 ms (Link to these results)

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