A0A3Q0KMU3_SCHMA Loading...

Centrin-related

AlphaFold DB , UniProt , Accession A0A3Q0KMU3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 172 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.9	Very low	36.6	Very low	243 Å²	243	141.9 Å²	141.9	100%	1.197	82%	0.818	S	S	*	*				0	138.9	0	-75.6	137.8	79.8	0	0	108.2	S3	M1-S3 PolarHBondContact O-N 3.46Å
2	N	36.1	Very low	37	Very low	163 Å²	163	142.7 Å²	142.7	87%	0.872	82%	0.815	S	S	*	*			trans	-37.3	121.1	-160.6	-76.4	-33.1	0	0	0	116.2	S4	N2-S4 PolarHBondContact O-N 3.31Å
3	S	38.6	Very low	36.8	Very low	117 Å²	117	145 Å²	145	82%	0.818	81%	0.81	S	S	*	*			trans	-77.4	107.3	165.4	-176.7	0	0	0	0	108.1	M1 R5	M1-S3 PolarHBondContact O-N 3.46Å; S3-R5 PolarHBondContact O-N 2.63Å; S3-R5 VanDerWaalsContact O-N 3.15Å
4	S	40.4	Very low	36.7	Very low	104 Å²	104	145.4 Å²	145.4	73%	0.727	80%	0.799	S	S	*	*			trans	-51.6	110.6	169.3	-51.5	0	0	0	0	110.4	N2 S6	N2-S4 PolarHBondContact O-N 3.31Å; S4-S6 PolarHBondContact O-N 2.94Å
5	R	39.1	Very low	36.6	Very low	226 Å²	226	143.4 Å²	143.4	85%	0.853	80%	0.8	S	S	*	*			trans	-91.1	83.2	158.6	-84.4	-174	170.8	-166.9	-2.5	108.4	S3 I7	S3-R5 PolarHBondContact O-N 2.63Å; S3-R5 VanDerWaalsContact O-N 3.15Å; R5-I7 PolarHBondContact O-N 2.81Å
6	S	35	Very low	37	Very low	109 Å²	109	145.3 Å²	145.3	76%	0.762	79%	0.791	S	S	*	*			trans	-75.6	99.9	155.4	-61.7	0	0	0	0	106.8	S4 A8	S4-S6 PolarHBondContact O-N 2.94Å; S6-A8 PolarHBondContact O-N 3.29Å
7	I	38.6	Very low	37	Very low	154 Å²	154	142.8 Å²	142.8	79%	0.79	78%	0.783	S	S	*	*			trans	-79.9	105.6	166.7	-61.7	175.6	0	0	0	106.2	R5	R5-I7 PolarHBondContact O-N 2.81Å
8	A	36.3	Very low	37.3	Very low	98 Å²	98	144 Å²	144	81%	0.81	78%	0.78	S	S	*	*			trans	-96.9	134.4	165.3	0	0	0	0	0	108.6	S6	S6-A8 PolarHBondContact O-N 3.29Å
9	G	33.8	Very low	37.6	Very low	65 Å²	65	139.4 Å²	139.4	67%	0.67	76%	0.759	S	S	*	*			trans	133.1	142.6	164.4	0	0	0	0	0	111.2
10	S	32.9	Very low	37.7	Very low	105 Å²	105	138.7 Å²	138.7	73%	0.734	76%	0.755	S	S	*	*			cis	-170.9	130.7	-8	-94.2	0	0	0	0	106.2
11	K	34.2	Very low	38	Very low	177 Å²	177	136.7 Å²	136.7	77%	0.77	75%	0.747	S	S	*	*			trans	42.6	85.1	147.4	-58.7	179.7	-178.2	174.9	0	117.3	K13	K11-K13 HydrophobicContact CB-CG 4.44Å; K11-K13 PolarHBondContact O-N 3.26Å
12	I	40.8	Very low	38.5	Very low	151 Å²	151	132.6 Å²	132.6	77%	0.774	72%	0.722	S	S	*	*			trans	-71.5	84.8	145.5	-55.4	173.5	0	0	0	106.8
13	K	34.8	Very low	39.5	Very low	173 Å²	173	127 Å²	127	75%	0.752	69%	0.692	S	S	*	*			trans	-116.1	75.7	166.6	-77.7	-160.9	178.9	-169	0	108.6	K11	K11-K13 HydrophobicContact CB-CG 4.44Å; K11-K13 PolarHBondContact O-N 3.26Å
14	K	35.9	Very low	41	Very low	150 Å²	150	127.5 Å²	127.5	65%	0.652	69%	0.69	S	S	*	*			trans	-132	77.8	150.4	-71.1	-177	-167.8	153.3	0	107.4	R16 E141	K14-R16 PolarHBondContact O-N 3.27Å; K14-E141 IonicContact NZ-OE1 3.24Å; K14-E141 PolarHBondContact NZ-OE1 3.37Å
15	S	34.6	Very low	42.8	Very low	116 Å²	116	122.9 Å²	122.9	81%	0.811	66%	0.657	S	S	*	*			trans	-67	79.7	160.2	56.3	0	0	0	0	107.4
16	R	43.1	Very low	45	Very low	174 Å²	174	115.7 Å²	115.7	66%	0.657	64%	0.639	S	S	*	*			trans	-61.2	130.3	158.5	-158.7	170	176.7	-174.6	-3.9	104.6	K14 K18 E135	K14-R16 PolarHBondContact O-N 3.27Å; R16-K18 PolarHBondContact O-N 2.73Å; R16-K18 VanDerWaalsContact O-N 3.1Å; R16-E135 IonicContact NH1-OE2 3.83Å; R16-E135 PolarHBondContact NH1-OE2 3.31Å
17	P	37.5	Very low	47.5	Very low	103 Å²	103	116.3 Å²	116.3	67%	0.669	64%	0.638	S	S	*	*			trans	-54.7	127.2	178.8	22.5	-30.5	0	0	0	106.3	S19	P17-S19 PolarHBondContact O-N 3.15Å
18	K	42.4	Very low	49.8	Very low	164 Å²	164	114.1 Å²	114.1	71%	0.713	63%	0.628	S	S	*	*			trans	-31	121.1	172.6	-69.4	-178.1	177	-172.6	0	106.3	R16 D20	R16-K18 PolarHBondContact O-N 2.73Å; R16-K18 VanDerWaalsContact O-N 3.1Å; K18-D20 VanDerWaalsContact C-N 3.25Å; K18-D20 PolarHBondContact O-N 3.33Å
19	S	42.4	Very low	52.3	Low	57 Å²	57	112.2 Å²	112.2	40%	0.399	60%	0.602	S	S	.	*			trans	-34.9	97.1	174.4	35.8	0	0	0	0	108.4	P17 V21 I171	P17-S19 PolarHBondContact O-N 3.15Å; S19-V21 PolarHBondContact O-N 3.38Å; S19-I171 PolarHBondContact OG-O 3.15Å
20	D	40.7	Very low	54.9	Low	124 Å²	124	114.2 Å²	114.2	66%	0.663	59%	0.592	S	S	*	*			trans	-73.4	26.9	176.1	-115.9	-54.9	0	0	0	108.4	K18 K22	K18-D20 VanDerWaalsContact C-N 3.25Å; K18-D20 PolarHBondContact O-N 3.33Å; D20-K22 PolarHBondContact O-N 2.85Å
21	V	43.4	Very low	57.6	Low	98 Å²	98	114.9 Å²	114.9	59%	0.594	58%	0.579	S	S	*	*			trans	-66.2	63.5	150.9	-163.8	0	0	0	0	106.2	S19 L23	S19-V21 PolarHBondContact O-N 3.38Å; V21-L23 PolarHBondContact O-N 3.3Å
22	K	48.8	Very low	60.3	Low	157 Å²	157	110 Å²	110	68%	0.683	56%	0.561	S	S	*	*			trans	-54.5	97.4	146.7	-74	179.5	-175.3	170.7	0	103.6	D20 V24	D20-K22 PolarHBondContact O-N 2.85Å; K22-V24 PolarHBondContact O-N 3.15Å
23	L	57.2	Low	62.8	Low	46 Å²	46	103.1 Å²	103.1	24%	0.241	53%	0.526	C	S	.	.			trans	-44	113.1	175.2	-129.7	150.4	0	0	0	106	V21 L25 T94 T98	V21-L23 PolarHBondContact O-N 3.3Å; L23-L25 PolarHBondContact O-N 2.94Å; L23-T94 HydrophobicContact CB-CG2 4.36Å; L23-T98 WeakPolarHBondContact CB-OG1 3.34Å; L23-T98 HydrophobicContact CD1-CG2 4.32Å
24	V	69.5	Low	65.5	Low	126 Å²	126	97.8 Å²	97.8	76%	0.764	51%	0.505	S	S	*	.			trans	-70.9	96.5	175.8	177.6	0	0	0	0	104.2	K22 T26	K22-V24 PolarHBondContact O-N 3.15Å; V24-T26 PolarHBondContact O-N 3.21Å
25	L	78.8	Confident	68.2	Low	8 Å²	8	94.9 Å²	94.9	4%	0.042	49%	0.494	C	S	.	.			trans	-53.3	130.2	177.7	-65.8	179	0	0	0	108.9	L23 Q29 K30 L33 L90 T94 M97	L23-L25 PolarHBondContact O-N 2.94Å; L25-Q29 HydrophobicContact CB-CB 4.14Å; L25-Q29 HydrophobicContact CD2-CB 4.13Å; L25-K30 HydrophobicContact CB-CD 4.35Å; L25-K30 HydrophobicContact CB-CG 3.58Å; L25-K30 HydrophobicContact CD1-CG 4.06Å; L25-K30 VanDerWaalsContact O-CE 3.3Å; L25-K30 WeakPolarHBondContact O-CE 3.26Å; L25-L33 HydrophobicContact CD1-CD1 3.52Å; L25-L90 HydrophobicContact CD1-CD1 3.61Å; L25-L90 HydrophobicContact CD1-CG 4.44Å; L25-T94 HydrophobicContact CD1-CG2 4.47Å; L25-T94 VanDerWaalsContact CD1-OG1 3.29Å; L25-T94 WeakPolarHBondContact CD1-OG1 3.48Å; L25-T94 HydrophobicContact CD2-CG2 4.2Å; L25-T94 HydrophobicContact CG-CG2 4.1Å; L25-M97 HydrophobicContact CD2-SD 3.79Å
26	T	84.7	Confident	71	Confident	75 Å²	75	91 Å²	91	46%	0.46	47%	0.468	S	S	.	.			trans	-58.6	158.9	171.4	62.1	0	0	0	0	110.2	V24 N28 Q29 K30	V24-T26 PolarHBondContact O-N 3.21Å; T26-N28 PolarHBondContact O-N 2.89Å; T26-Q29 PolarHBondContact O-N 2.77Å; T26-Q29 VanDerWaalsContact O-N 3.15Å; T26-Q29 VanDerWaalsContact OG1-CG 3.3Å; T26-Q29 WeakPolarHBondContact OG1-CG 3.48Å; T26-Q29 PolarHBondContact OG1-N 2.85Å; T26-Q29 PolarHBondContact OG1-OE1 2.68Å; T26-K30 PolarHBondContact O-N 3.47Å
27	T	86.5	Confident	73.4	Confident	121 Å²	121	83 Å²	83	74%	0.742	44%	0.439	S	S	*	.	H	α-helix	trans	-54	-37.7	175.6	-50.5	0	0	0	0	111.8	R31	T27-R31 WeakPolarHBondContact O-CB 3.46Å; T27-R31 PolarHBondContact O-N 3.28Å
28	N	88.6	Confident	76.1	Confident	109 Å²	109	84.5 Å²	84.5	58%	0.583	44%	0.435	S	S	*	.	H	α-helix	trans	-67.6	-48	177.7	-67.8	-14.2	0	0	0	111.7	T26 K30 R31 D32	T26-N28 PolarHBondContact O-N 2.89Å; N28-K30 VanDerWaalsContact C-N 3.33Å; N28-K30 PolarHBondContact O-N 3.11Å; N28-R31 WeakPolarHBondContact O-CB 3.06Å; N28-R31 PolarHBondContact O-N 2.85Å; N28-R31 VanDerWaalsContact O-N 3.12Å; N28-D32 PolarHBondContact O-N 3.39Å
29	Q	87.8	Confident	78.5	Confident	58 Å²	58	83.1 Å²	83.1	27%	0.271	43%	0.434	S	S	.	.	H	α-helix	trans	-60.4	-41.1	177.3	-74.1	165.6	-48.8	0	0	112.3	L25 T26 R31 D32 L33	L25-Q29 HydrophobicContact CB-CB 4.14Å; L25-Q29 HydrophobicContact CD2-CB 4.13Å; T26-Q29 PolarHBondContact O-N 2.77Å; T26-Q29 VanDerWaalsContact O-N 3.15Å; T26-Q29 VanDerWaalsContact OG1-CG 3.3Å; T26-Q29 WeakPolarHBondContact OG1-CG 3.48Å; T26-Q29 PolarHBondContact OG1-N 2.85Å; T26-Q29 PolarHBondContact OG1-OE1 2.68Å; Q29-R31 VanDerWaalsContact C-N 3.33Å; Q29-R31 PolarHBondContact O-N 2.88Å; Q29-D32 PolarHBondContact O-N 2.83Å; Q29-L33 WeakPolarHBondContact O-CG 3.31Å; Q29-L33 PolarHBondContact O-N 3.41Å
30	K	88.1	Confident	80.9	Confident	106 Å²	106	81.5 Å²	81.5	46%	0.461	42%	0.421	S	S	.	.	H	α-helix	trans	-62.4	-40.9	175.6	-70.5	-178	-179.9	172.4	0	111.9	L25 T26 N28 L34	L25-K30 HydrophobicContact CB-CD 4.35Å; L25-K30 HydrophobicContact CB-CG 3.58Å; L25-K30 HydrophobicContact CD1-CG 4.06Å; L25-K30 VanDerWaalsContact O-CE 3.3Å; L25-K30 WeakPolarHBondContact O-CE 3.26Å; T26-K30 PolarHBondContact O-N 3.47Å; N28-K30 VanDerWaalsContact C-N 3.33Å; N28-K30 PolarHBondContact O-N 3.11Å; K30-L34 WeakPolarHBondContact O-CB 3.4Å; K30-L34 PolarHBondContact O-N 2.76Å
31	R	90.3	Very high	83.5	Confident	119 Å²	119	76.5 Å²	76.5	45%	0.449	39%	0.394	S	S	.	.	H	α-helix	trans	-62.8	-46.6	176	-174.3	-168.7	66.5	83.5	7.3	110.9	T27 N28 Q29 L33 L34 E35	T27-R31 WeakPolarHBondContact O-CB 3.46Å; T27-R31 PolarHBondContact O-N 3.28Å; N28-R31 WeakPolarHBondContact O-CB 3.06Å; N28-R31 PolarHBondContact O-N 2.85Å; N28-R31 VanDerWaalsContact O-N 3.12Å; Q29-R31 VanDerWaalsContact C-N 3.33Å; Q29-R31 PolarHBondContact O-N 2.88Å; R31-L33 VanDerWaalsContact C-N 3.34Å; R31-L33 PolarHBondContact O-N 3.34Å; R31-L34 WeakPolarHBondContact O-CB 3.36Å; R31-L34 PolarHBondContact O-N 3.27Å; R31-E35 IonicContact CZ-OE1 2.61Å; R31-E35 IonicContact CZ-OE2 3.68Å; R31-E35 IonicContact NH1-OE1 3.15Å; R31-E35 PolarHBondContact NH1-OE1 2.65Å; R31-E35 IonicContact NH1-OE2 2.65Å; R31-E35 PolarHBondContact NH1-OE2 2.83Å; R31-E35 WeakPolarHBondContact O-CG 3.19Å; R31-E35 PolarHBondContact O-N 3.02Å
32	D	91.1	Very high	85.7	Confident	75 Å²	75	78.3 Å²	78.3	40%	0.401	40%	0.401	S	S	.	.	H	α-helix	trans	-63	-41.3	-179.6	-61.2	-15.4	0	0	0	111.3	N28 Q29 E35 A36	N28-D32 PolarHBondContact O-N 3.39Å; Q29-D32 PolarHBondContact O-N 2.83Å; D32-E35 PolarHBondContact O-N 2.79Å; D32-A36 WeakPolarHBondContact O-CB 3.15Å; D32-A36 PolarHBondContact O-N 3.35Å
33	L	92	Very high	87.7	Confident	6 Å²	6	78.8 Å²	78.8	3%	0.031	41%	0.405	C	S	.	.	H	α-helix	trans	-67.1	-36.5	175.1	-70.3	179.5	0	0	0	112.5	L25 Q29 R31 A36 F37 F89 L90 M93 M97	L25-L33 HydrophobicContact CD1-CD1 3.52Å; Q29-L33 WeakPolarHBondContact O-CG 3.31Å; Q29-L33 PolarHBondContact O-N 3.41Å; R31-L33 VanDerWaalsContact C-N 3.34Å; R31-L33 PolarHBondContact O-N 3.34Å; L33-A36 PolarHBondContact O-N 3.27Å; L33-F37 WeakPolarHBondContact O-CB 3.32Å; L33-F37 PolarHBondContact O-N 3.34Å; L33-F89 HydrophobicContact CB-CE1 4.23Å; L33-F89 HydrophobicContact CD2-CE1 4.21Å; L33-F89 WeakPolarHBondContact O-CE1 3.29Å; L33-L90 HydrophobicContact CB-CD1 4.32Å; L33-L90 HydrophobicContact CD1-CD1 3.66Å; L33-M93 HydrophobicContact CD1-CB 3.96Å; L33-M93 HydrophobicContact CD2-CB 3.65Å; L33-M93 HydrophobicContact CD2-CG 3.91Å; L33-M93 HydrophobicContact CG-CB 4.47Å; L33-M97 HydrophobicContact CD1-CE 4.4Å; L33-M97 HydrophobicContact CD1-SD 4.37Å; L33-M97 HydrophobicContact CD2-CE 3.98Å; L33-M97 HydrophobicContact CG-CE 4.3Å
34	L	92.2	Very high	89.3	Confident	62 Å²	62	79.6 Å²	79.6	33%	0.325	43%	0.425	S	S	.	.	H	α-helix	trans	-65.4	-41.6	173.9	179.3	62.5	0	0	0	111.7	K30 R31 F37 K38 F86	K30-L34 WeakPolarHBondContact O-CB 3.4Å; K30-L34 PolarHBondContact O-N 2.76Å; R31-L34 WeakPolarHBondContact O-CB 3.36Å; R31-L34 PolarHBondContact O-N 3.27Å; L34-F37 PolarHBondContact O-N 2.83Å; L34-K38 HydrophobicContact CG-CD 4.48Å; L34-K38 WeakPolarHBondContact O-CG 3.2Å; L34-K38 PolarHBondContact O-N 2.79Å; L34-F86 HydrophobicContact CB-CE2 4.21Å; L34-F86 HydrophobicContact CB-CZ 3.97Å; L34-F86 HydrophobicContact CD1-CD2 4.34Å; L34-F86 HydrophobicContact CD1-CE1 4.17Å; L34-F86 HydrophobicContact CD1-CE2 3.88Å; L34-F86 HydrophobicContact CD1-CZ 3.78Å; L34-F86 HydrophobicContact CG-CZ 4.47Å
35	E	92.5	Very high	90.5	Very high	89 Å²	89	76.7 Å²	76.7	42%	0.416	41%	0.41	S	S	.	.	H	α-helix	trans	-64.1	-45.3	175.5	-75.1	174	-172.1	0	0	111.2	R31 D32 F37 K38 L39	R31-E35 IonicContact CZ-OE1 2.61Å; R31-E35 IonicContact CZ-OE2 3.68Å; R31-E35 IonicContact NH1-OE1 3.15Å; R31-E35 PolarHBondContact NH1-OE1 2.65Å; R31-E35 IonicContact NH1-OE2 2.65Å; R31-E35 PolarHBondContact NH1-OE2 2.83Å; R31-E35 WeakPolarHBondContact O-CG 3.19Å; R31-E35 PolarHBondContact O-N 3.02Å; D32-E35 PolarHBondContact O-N 2.79Å; E35-F37 VanDerWaalsContact C-N 3.32Å; E35-F37 PolarHBondContact O-N 3.15Å; E35-K38 PolarHBondContact O-N 3.01Å; E35-L39 WeakPolarHBondContact O-CG 3.5Å; E35-L39 PolarHBondContact O-N 2.85Å
36	A	92.8	Very high	91.2	Very high	33 Å²	33	77.9 Å²	77.9	27%	0.273	43%	0.425	S	S	.	.	H	α-helix	trans	-58.4	-43.4	174.1	0	0	0	0	0	112	D32 L33 L39 L40 F89	D32-A36 WeakPolarHBondContact O-CB 3.15Å; D32-A36 PolarHBondContact O-N 3.35Å; L33-A36 PolarHBondContact O-N 3.27Å; A36-L39 PolarHBondContact O-N 2.83Å; A36-L40 WeakPolarHBondContact O-CG 3.29Å; A36-L40 PolarHBondContact O-N 3.13Å; A36-F89 HydrophobicContact CB-CZ 4.23Å
37	F	94.2	Very high	91.7	Very high	8 Å²	8	77.7 Å²	77.7	4%	0.035	42%	0.42	C	S	.	.	H	α-helix	trans	-61.8	-45.6	176.8	-174.9	-90.6	0	0	0	112	L33 L34 E35 L39 L40 D41 G46 I48 F86 F89	L33-F37 WeakPolarHBondContact O-CB 3.32Å; L33-F37 PolarHBondContact O-N 3.34Å; L34-F37 PolarHBondContact O-N 2.83Å; E35-F37 VanDerWaalsContact C-N 3.32Å; E35-F37 PolarHBondContact O-N 3.15Å; F37-L39 PolarHBondContact O-N 2.82Å; F37-L40 PolarHBondContact O-N 2.97Å; F37-D41 HydrophobicContact CD1-CB 4.3Å; F37-D41 HydrophobicContact CE1-CB 3.97Å; F37-D41 PolarHBondContact O-N 3.41Å; F37-G46 WeakPolarHBondContact CZ-O 3.47Å; F37-I48 HydrophobicContact CD2-CD1 4.14Å; F37-I48 HydrophobicContact CD2-CG1 4.38Å; F37-I48 HydrophobicContact CD2-CG2 3.84Å; F37-I48 HydrophobicContact CE1-CG2 4.25Å; F37-I48 HydrophobicContact CE2-CB 4.23Å; F37-I48 HydrophobicContact CE2-CD1 4.05Å; F37-I48 HydrophobicContact CE2-CG1 3.82Å; F37-I48 HydrophobicContact CE2-CG2 3.53Å; F37-I48 HydrophobicContact CG-CG2 4.36Å; F37-I48 HydrophobicContact CZ-CG2 3.75Å; F37-F86 HydrophobicContact CB-CD2 3.71Å; F37-F86 HydrophobicContact CB-CE2 3.94Å; F37-F86 HydrophobicContact CD1-CB 4.29Å; F37-F86 AromaticContact CD1-CD2 3.93Å; F37-F86 HydrophobicContact CD1-CD2 3.93Å; F37-F86 HydrophobicContact CD1-CG 4.48Å; F37-F86 HydrophobicContact CD2-CB 4.33Å; F37-F86 AromaticContact CD2-CD2 3.75Å; F37-F86 HydrophobicContact CD2-CD2 3.75Å; F37-F86 HydrophobicContact CE1-CB 4.05Å; F37-F86 VanDerWaalsContact CE2-CA 3.46Å; F37-F86 HydrophobicContact CE2-CB 4.05Å; F37-F86 HydrophobicContact CE2-CD2 4.33Å; F37-F86 HydrophobicContact CG-CB 4.43Å; F37-F86 AromaticContact CG-CD2 3.51Å; F37-F86 HydrophobicContact CG-CD2 3.51Å; F37-F86 HydrophobicContact CG-CE2 4.26Å; F37-F86 HydrophobicContact CG-CG 4.41Å; F37-F86 HydrophobicContact CZ-CB 3.91Å; F37-F89 HydrophobicContact CB-CD1 4.1Å; F37-F89 HydrophobicContact CB-CE1 4.05Å; F37-F89 HydrophobicContact CD2-CB 3.69Å; F37-F89 AromaticContact CD2-CD1 3.86Å; F37-F89 HydrophobicContact CD2-CD1 3.86Å; F37-F89 HydrophobicContact CD2-CD2 4.11Å; F37-F89 HydrophobicContact CD2-CE1 4.5Å; F37-F89 AromaticContact CD2-CG 3.63Å; F37-F89 HydrophobicContact CD2-CG 3.63Å; F37-F89 HydrophobicContact CE2-CB 3.92Å; F37-F89 HydrophobicContact CE2-CG 4.33Å; F37-F89 HydrophobicContact CG-CD1 4.45Å
38	K	93.8	Very high	92.1	Very high	134 Å²	134	72 Å²	72	58%	0.583	39%	0.385	S	S	*	.	H	α-helix	trans	-62	-31.9	177.8	-74.1	175.5	177.3	-178	0	113.1	L34 E35 L40	L34-K38 HydrophobicContact CG-CD 4.48Å; L34-K38 WeakPolarHBondContact O-CG 3.2Å; L34-K38 PolarHBondContact O-N 2.79Å; E35-K38 PolarHBondContact O-N 3.01Å; K38-L40 VanDerWaalsContact C-N 3.28Å
39	L	93.5	Very high	92.2	Very high	134 Å²	134	69.9 Å²	69.9	70%	0.702	37%	0.371	S	S	*	.	H	α-helix	trans	-71.2	-24.8	174.7	-69.3	172.4	0	0	0	112.7	E35 A36 F37 N42	E35-L39 WeakPolarHBondContact O-CG 3.5Å; E35-L39 PolarHBondContact O-N 2.85Å; A36-L39 PolarHBondContact O-N 2.83Å; F37-L39 PolarHBondContact O-N 2.82Å; L39-N42 PolarHBondContact O-OD1 3.22Å
40	L	93.2	Very high	92.2	Very high	24 Å²	24	67.4 Å²	67.4	13%	0.126	36%	0.36	C	S	.	.	H	α-helix	trans	-86.4	-39.8	175	-63	178.7	0	0	0	111.5	A36 F37 K38 N42 I48 E52 V55 A56 F89	A36-L40 WeakPolarHBondContact O-CG 3.29Å; A36-L40 PolarHBondContact O-N 3.13Å; F37-L40 PolarHBondContact O-N 2.97Å; K38-L40 VanDerWaalsContact C-N 3.28Å; L40-N42 PolarHBondContact O-N 3.14Å; L40-N42 PolarHBondContact O-ND2 2.93Å; L40-I48 HydrophobicContact CB-CB 4.24Å; L40-I48 HydrophobicContact CB-CG2 3.58Å; L40-I48 HydrophobicContact CD1-CD1 3.99Å; L40-E52 HydrophobicContact CD2-CB 4.26Å; L40-V55 HydrophobicContact CD2-CB 4.31Å; L40-V55 HydrophobicContact CD2-CG1 4.4Å; L40-A56 HydrophobicContact CD1-CB 4.04Å; L40-F89 HydrophobicContact CD1-CE2 3.95Å
41	D	94.6	Very high	92	Very high	19 Å²	19	70.7 Å²	70.7	10%	0.102	37%	0.37	C	S	.	.			trans	-79.5	67.8	176.7	-178.6	23.7	0	0	0	111.2	F37 E43 G44 S45 G46 I48	F37-D41 HydrophobicContact CD1-CB 4.3Å; F37-D41 HydrophobicContact CE1-CB 3.97Å; F37-D41 PolarHBondContact O-N 3.41Å; D41-E43 PolarHBondContact O-N 2.65Å; D41-E43 VanDerWaalsContact O-N 3.11Å; D41-G44 PolarHBondContact O-N 3.4Å; D41-G44 PolarHBondContact OD1-N 3.05Å; D41-G44 VanDerWaalsContact OD1-N 3.13Å; D41-G44 VanDerWaalsContact OD2-C 3.26Å; D41-G44 WeakPolarHBondContact OD2-CA 3.3Å; D41-S45 PolarHBondContact OD1-N 2.84Å; D41-S45 PolarHBondContact OD1-OG 3.33Å; D41-S45 PolarHBondContact OD2-N 2.76Å; D41-S45 VanDerWaalsContact OD2-N 3.08Å; D41-G46 WeakPolarHBondContact OD2-CA 3.37Å; D41-G46 PolarHBondContact OD2-N 2.94Å; D41-I48 HydrophobicContact CB-CG2 3.88Å
42	N	89.1	Confident	92	Very high	136 Å²	136	66.8 Å²	66.8	73%	0.727	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-23.8	-178.3	-65.9	-64.6	0	0	0	113.6	L39 L40	L39-N42 PolarHBondContact O-OD1 3.22Å; L40-N42 PolarHBondContact O-N 3.14Å; L40-N42 PolarHBondContact O-ND2 2.93Å
43	E	90.8	Very high	92	Very high	166 Å²	166	63.3 Å²	63.3	78%	0.776	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-8.7	-178.7	-65.7	176.7	-169.9	0	0	112.5	D41 S45	D41-E43 PolarHBondContact O-N 2.65Å; D41-E43 VanDerWaalsContact O-N 3.11Å; E43-S45 PolarHBondContact O-N 2.99Å
44	G	91.6	Very high	92	Very high	63 Å²	63	66.1 Å²	66.1	65%	0.649	35%	0.35	S	S	*	.			trans	64.4	26.5	-175.4	0	0	0	0	0	113.1	D41 G46	D41-G44 PolarHBondContact O-N 3.4Å; D41-G44 PolarHBondContact OD1-N 3.05Å; D41-G44 VanDerWaalsContact OD1-N 3.13Å; D41-G44 VanDerWaalsContact OD2-C 3.26Å; D41-G44 WeakPolarHBondContact OD2-CA 3.3Å; G44-G46 VanDerWaalsContact C-N 3.26Å; G44-G46 PolarHBondContact O-N 2.86Å
45	S	94.2	Very high	92	Very high	65 Å²	65	67.5 Å²	67.5	46%	0.455	36%	0.36	S	S	.	.	S	Bend	trans	-74.8	-15.8	-176.3	67.3	0	0	0	0	113.4	D41 E43 L47	D41-S45 PolarHBondContact OD1-N 2.84Å; D41-S45 PolarHBondContact OD1-OG 3.33Å; D41-S45 PolarHBondContact OD2-N 2.76Å; D41-S45 VanDerWaalsContact OD2-N 3.08Å; E43-S45 PolarHBondContact O-N 2.99Å; S45-L47 PolarHBondContact OG-N 3.27Å; S45-L47 PolarHBondContact OG-O 3.47Å; S45-L47 VanDerWaalsContact OG-O 3.06Å
46	G	94.3	Very high	91.9	Very high	34 Å²	34	63.7 Å²	63.7	35%	0.351	34%	0.344	S	S	.	.	S	Bend	trans	78.5	7.8	-167.1	0	0	0	0	0	113.6	F37 D41 G44	F37-G46 WeakPolarHBondContact CZ-O 3.47Å; D41-G46 WeakPolarHBondContact OD2-CA 3.37Å; D41-G46 PolarHBondContact OD2-N 2.94Å; G44-G46 VanDerWaalsContact C-N 3.26Å; G44-G46 PolarHBondContact O-N 2.86Å
47	L	94.4	Very high	91.9	Very high	71 Å²	71	62.1 Å²	62.1	37%	0.372	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	141.1	-177.9	-60.9	175.5	0	0	0	110.3	S45 F83 D85	S45-L47 PolarHBondContact OG-N 3.27Å; S45-L47 PolarHBondContact OG-O 3.47Å; S45-L47 VanDerWaalsContact OG-O 3.06Å; L47-F83 HydrophobicContact CB-CB 4.25Å; L47-F83 HydrophobicContact CB-CD1 4.2Å; L47-F83 HydrophobicContact CD1-CB 4.36Å; L47-D85 HydrophobicContact CD2-CB 3.9Å
48	I	94.2	Very high	91.7	Very high	1 Å²	1	67.9 Å²	67.9	1%	0.005	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	155.2	170.6	62.3	169.3	0	0	0	109.8	F37 L40 D41 I53 F83 I84 F89	F37-I48 HydrophobicContact CD2-CD1 4.14Å; F37-I48 HydrophobicContact CD2-CG1 4.38Å; F37-I48 HydrophobicContact CD2-CG2 3.84Å; F37-I48 HydrophobicContact CE1-CG2 4.25Å; F37-I48 HydrophobicContact CE2-CB 4.23Å; F37-I48 HydrophobicContact CE2-CD1 4.05Å; F37-I48 HydrophobicContact CE2-CG1 3.82Å; F37-I48 HydrophobicContact CE2-CG2 3.53Å; F37-I48 HydrophobicContact CG-CG2 4.36Å; F37-I48 HydrophobicContact CZ-CG2 3.75Å; L40-I48 HydrophobicContact CB-CB 4.24Å; L40-I48 HydrophobicContact CB-CG2 3.58Å; L40-I48 HydrophobicContact CD1-CD1 3.99Å; D41-I48 HydrophobicContact CB-CG2 3.88Å; I48-I53 HydrophobicContact CD1-CG1 3.99Å; I48-F83 CarbonylContact O-C 3.49Å; I48-F83 VanDerWaalsContact O-CA 3.25Å; I48-F83 WeakPolarHBondContact O-CA 3.33Å; I48-I84 HydrophobicContact CG1-CB 4.46Å; I48-I84 WeakPolarHBondContact CG1-O 3.34Å; I48-I84 PolarHBondContact N-O 3Å; I48-I84 PolarHBondContact O-N 3.27Å; I48-F89 HydrophobicContact CD1-CB 4.34Å; I48-F89 HydrophobicContact CD1-CD2 3.46Å; I48-F89 VanDerWaalsContact CD1-CD2 3.46Å; I48-F89 HydrophobicContact CD1-CE2 4.08Å; I48-F89 HydrophobicContact CD1-CG 4.25Å
49	K	92.2	Very high	91.4	Very high	65 Å²	65	65.7 Å²	65.7	28%	0.283	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	136.6	176.9	-58.4	177	-174.4	141.4	0	108.5	R51 E52 G82 F83	K49-R51 HydrophobicContact CB-CG 4Å; K49-R51 VanDerWaalsContact CD-NH2 3.31Å; K49-R51 PolarHBondContact O-N 3.3Å; K49-E52 HydrophobicContact CB-CG 4.05Å; K49-E52 WeakPolarHBondContact CB-OE2 3.28Å; K49-E52 PolarHBondContact N-OE2 2.97Å; K49-E52 WeakPolarHBondContact O-CA 3.45Å; K49-E52 VanDerWaalsContact O-CB 3.28Å; K49-E52 WeakPolarHBondContact O-CB 3.33Å; K49-E52 PolarHBondContact O-N 3.01Å; K49-G82 WeakPolarHBondContact CA-O 3.49Å; K49-F83 HydrophobicContact CG-CD1 4.24Å; K49-F83 HydrophobicContact CG-CE1 3.86Å
50	A	86.9	Confident	90.9	Very high	5 Å²	5	61.2 Å²	61.2	4%	0.041	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-59.4	-29.4	-174.8	0	0	0	0	0	112.8	E52 I53 I73 G82 I84	A50-E52 VanDerWaalsContact C-N 3.29Å; A50-E52 PolarHBondContact O-N 3.37Å; A50-I53 WeakPolarHBondContact O-CB 3.32Å; A50-I53 WeakPolarHBondContact O-CD1 3.48Å; A50-I53 PolarHBondContact O-N 3.17Å; A50-I73 HydrophobicContact CB-CD1 3.98Å; A50-I73 HydrophobicContact CB-CG1 3.75Å; A50-G82 PolarHBondContact N-O 3.38Å; A50-I84 HydrophobicContact CB-CD1 3.94Å; A50-I84 HydrophobicContact CB-CG1 4.37Å
51	R	85.1	Confident	90.5	Very high	175 Å²	175	63 Å²	63	66%	0.66	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-65.8	-24.2	172.5	63.5	178	178.2	-105.7	13	114.8	K49 I53	K49-R51 HydrophobicContact CB-CG 4Å; K49-R51 VanDerWaalsContact CD-NH2 3.31Å; K49-R51 PolarHBondContact O-N 3.3Å; R51-I53 VanDerWaalsContact C-N 3.29Å
52	E	90	Very high	90.2	Very high	38 Å²	38	64.2 Å²	64.2	18%	0.178	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-77.2	-16.8	-178.6	-70	166.6	170.6	0	0	112.2	L40 K49 A50 K54 V55	L40-E52 HydrophobicContact CD2-CB 4.26Å; K49-E52 HydrophobicContact CB-CG 4.05Å; K49-E52 WeakPolarHBondContact CB-OE2 3.28Å; K49-E52 PolarHBondContact N-OE2 2.97Å; K49-E52 WeakPolarHBondContact O-CA 3.45Å; K49-E52 VanDerWaalsContact O-CB 3.28Å; K49-E52 WeakPolarHBondContact O-CB 3.33Å; K49-E52 PolarHBondContact O-N 3.01Å; A50-E52 VanDerWaalsContact C-N 3.29Å; A50-E52 PolarHBondContact O-N 3.37Å; E52-K54 PolarHBondContact O-N 2.87Å; E52-K54 VanDerWaalsContact O-N 3.13Å; E52-V55 WeakPolarHBondContact O-CB 3.31Å; E52-V55 PolarHBondContact O-N 2.94Å
53	I	91.5	Very high	90.2	Very high	1 Å²	1	63.3 Å²	63.3	1%	0.005	36%	0.36	C	S	.	.	H	α-helix	trans	-55.3	-33.5	173.9	-72.4	162.6	0	0	0	111.8	I48 A50 R51 V55 A56 L57 I72 I84 I92 M93	I48-I53 HydrophobicContact CD1-CG1 3.99Å; A50-I53 WeakPolarHBondContact O-CB 3.32Å; A50-I53 WeakPolarHBondContact O-CD1 3.48Å; A50-I53 PolarHBondContact O-N 3.17Å; R51-I53 VanDerWaalsContact C-N 3.29Å; I53-V55 PolarHBondContact O-N 3.3Å; I53-A56 PolarHBondContact O-N 3.1Å; I53-A56 VanDerWaalsContact O-N 3.16Å; I53-L57 HydrophobicContact CG2-CD1 3.74Å; I53-L57 HydrophobicContact CG2-CG 3.96Å; I53-L57 WeakPolarHBondContact O-CG 3.37Å; I53-L57 PolarHBondContact O-N 3.48Å; I53-I72 HydrophobicContact CD1-CG2 4.19Å; I53-I72 HydrophobicContact CG2-CG2 4.36Å; I53-I84 HydrophobicContact CD1-CB 4.29Å; I53-I84 HydrophobicContact CD1-CD1 3.19Å; I53-I84 HydrophobicContact CD1-CG1 4.26Å; I53-I84 HydrophobicContact CD1-CG2 4.43Å; I53-I92 HydrophobicContact CD1-CD1 3.7Å; I53-I92 HydrophobicContact CG2-CG2 4.18Å; I53-M93 HydrophobicContact CG2-CE 4Å
54	K	91.9	Very high	90.2	Very high	66 Å²	66	55.8 Å²	55.8	29%	0.287	33%	0.325	S	S	.	.	H	α-helix	trans	-55.3	-36.2	175.4	-179.9	162.7	-172	176.7	0	112.5	E52 R58 P64 I69	E52-K54 PolarHBondContact O-N 2.87Å; E52-K54 VanDerWaalsContact O-N 3.13Å; K54-R58 VanDerWaalsContact CE-NH2 3.25Å; K54-R58 WeakPolarHBondContact O-CB 3.47Å; K54-R58 VanDerWaalsContact O-CG 3.31Å; K54-R58 WeakPolarHBondContact O-CG 3.45Å; K54-R58 PolarHBondContact O-N 3.23Å; K54-R58 VanDerWaalsContact O-N 3.1Å; K54-P64 HydrophobicContact CB-CG 4.46Å; K54-P64 HydrophobicContact CG-CG 3.97Å; K54-I69 HydrophobicContact CB-CD1 3.84Å; K54-I69 HydrophobicContact CB-CG1 4.33Å; K54-I69 HydrophobicContact CG-CD1 4.49Å
55	V	91.3	Very high	90.1	Very high	90 Å²	90	56.3 Å²	56.3	55%	0.545	32%	0.316	S	S	.	.	H	α-helix	trans	-67.9	-47.5	179.2	-178.1	0	0	0	0	110.1	L40 E52 I53 R58 A59	L40-V55 HydrophobicContact CD2-CB 4.31Å; L40-V55 HydrophobicContact CD2-CG1 4.4Å; E52-V55 WeakPolarHBondContact O-CB 3.31Å; E52-V55 PolarHBondContact O-N 2.94Å; I53-V55 PolarHBondContact O-N 3.3Å; V55-R58 PolarHBondContact O-N 3.24Å; V55-A59 PolarHBondContact O-N 2.91Å
56	A	91.3	Very high	89.9	Confident	9 Å²	9	56.5 Å²	56.5	7%	0.074	32%	0.321	C	S	.	.	H	α-helix	trans	-65	-40.2	177.9	0	0	0	0	0	112.6	L40 I53 R58 A59 L60 F89 M93	L40-A56 HydrophobicContact CD1-CB 4.04Å; I53-A56 PolarHBondContact O-N 3.1Å; I53-A56 VanDerWaalsContact O-N 3.16Å; A56-R58 VanDerWaalsContact C-N 3.29Å; A56-R58 PolarHBondContact O-N 3.4Å; A56-A59 WeakPolarHBondContact O-CB 3.26Å; A56-A59 PolarHBondContact O-N 3.4Å; A56-A59 VanDerWaalsContact O-N 3.15Å; A56-L60 PolarHBondContact O-N 3.01Å; A56-L60 VanDerWaalsContact O-N 3.1Å; A56-F89 HydrophobicContact CB-CE2 3.55Å; A56-F89 HydrophobicContact CB-CZ 3.85Å; A56-M93 HydrophobicContact CB-CE 3.3Å; A56-M93 HydrophobicContact CB-SD 4.07Å
57	L	91	Very high	89.7	Confident	1 Å²	1	57.3 Å²	57.3	1%	0.005	33%	0.325	C	S	.	.	H	α-helix	trans	-60.7	-39.8	174.9	-71.7	176.1	0	0	0	112	I53 L60 G61 F62 P64 I69 I72 I92 M93 K96	I53-L57 HydrophobicContact CG2-CD1 3.74Å; I53-L57 HydrophobicContact CG2-CG 3.96Å; I53-L57 WeakPolarHBondContact O-CG 3.37Å; I53-L57 PolarHBondContact O-N 3.48Å; L57-L60 CarbonylContact O-C 3.34Å; L57-L60 PolarHBondContact O-N 2.89Å; L57-G61 PolarHBondContact O-N 2.81Å; L57-F62 CarbonylContact C-O 3.57Å; L57-F62 HydrophobicContact CB-CB 4.31Å; L57-F62 HydrophobicContact CD2-CD2 4.37Å; L57-F62 WeakPolarHBondContact O-CB 3.48Å; L57-F62 WeakPolarHBondContact O-CD2 3.48Å; L57-F62 PolarHBondContact O-N 3.3Å; L57-P64 HydrophobicContact CB-CG 3.86Å; L57-P64 HydrophobicContact CD1-CB 3.91Å; L57-P64 HydrophobicContact CD1-CG 3.74Å; L57-P64 HydrophobicContact CG-CG 4.47Å; L57-I69 HydrophobicContact CD1-CD1 4.07Å; L57-I72 HydrophobicContact CD1-CD1 3.7Å; L57-I92 HydrophobicContact CD2-CG2 4.44Å; L57-M93 HydrophobicContact CD2-CE 3.9Å; L57-M93 HydrophobicContact CD2-SD 3.93Å; L57-M93 HydrophobicContact CG-CE 3.94Å; L57-K96 HydrophobicContact CD2-CB 4.11Å; L57-K96 HydrophobicContact CD2-CG 3.71Å
58	R	91.3	Very high	89.5	Confident	129 Å²	129	56.9 Å²	56.9	49%	0.487	32%	0.323	S	S	.	.	H	α-helix	trans	-64.9	-38.4	173.7	-75.7	174.5	168.1	-168.6	-8.6	113.4	K54 V55 A56 L60 G61 F62 D63	K54-R58 VanDerWaalsContact CE-NH2 3.25Å; K54-R58 WeakPolarHBondContact O-CB 3.47Å; K54-R58 VanDerWaalsContact O-CG 3.31Å; K54-R58 WeakPolarHBondContact O-CG 3.45Å; K54-R58 PolarHBondContact O-N 3.23Å; K54-R58 VanDerWaalsContact O-N 3.1Å; V55-R58 PolarHBondContact O-N 3.24Å; A56-R58 VanDerWaalsContact C-N 3.29Å; A56-R58 PolarHBondContact O-N 3.4Å; R58-L60 PolarHBondContact O-N 3.46Å; R58-G61 WeakPolarHBondContact O-CA 3.41Å; R58-G61 PolarHBondContact O-N 2.97Å; R58-F62 WeakPolarHBondContact CA-O 3.49Å; R58-F62 VanDerWaalsContact CG-O 3.32Å; R58-F62 WeakPolarHBondContact CG-O 3.3Å; R58-F62 PolarHBondContact N-O 2.88Å; R58-D63 IonicContact CZ-OD1 2.67Å; R58-D63 VanDerWaalsContact CZ-OD1 3.31Å; R58-D63 IonicContact NE-OD1 2.96Å; R58-D63 PolarHBondContact NE-OD1 3.36Å; R58-D63 IonicContact NH2-OD1 2.65Å; R58-D63 PolarHBondContact NH2-OD1 3.38Å
59	A	87.3	Confident	89.3	Confident	88 Å²	88	57.7 Å²	57.7	73%	0.727	33%	0.327	S	S	*	.	H	α-helix	trans	-62.7	-30	173.5	0	0	0	0	0	112.4	V55 A56 G61	V55-A59 PolarHBondContact O-N 2.91Å; A56-A59 WeakPolarHBondContact O-CB 3.26Å; A56-A59 PolarHBondContact O-N 3.4Å; A56-A59 VanDerWaalsContact O-N 3.15Å; A59-G61 VanDerWaalsContact C-N 3.25Å; A59-G61 PolarHBondContact O-N 3.18Å
60	L	83.8	Confident	89.2	Confident	40 Å²	40	62.7 Å²	62.7	21%	0.209	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-1	171.9	-62.3	-175.9	0	0	0	113.9	A56 L57 R58 F62 M93 M97 K100	A56-L60 PolarHBondContact O-N 3.01Å; A56-L60 VanDerWaalsContact O-N 3.1Å; L57-L60 CarbonylContact O-C 3.34Å; L57-L60 PolarHBondContact O-N 2.89Å; R58-L60 PolarHBondContact O-N 3.46Å; L60-F62 HydrophobicContact CB-CD2 3.72Å; L60-F62 HydrophobicContact CB-CE2 3.72Å; L60-F62 HydrophobicContact CD1-CE2 4.37Å; L60-M93 HydrophobicContact CD1-CB 4.27Å; L60-M93 HydrophobicContact CD1-CG 4.41Å; L60-M93 HydrophobicContact CD1-SD 3.43Å; L60-M93 WeakPolarHBondContact CD1-SD 3.43Å; L60-M93 HydrophobicContact CG-SD 4.34Å; L60-M97 HydrophobicContact CD1-CE 3.99Å; L60-M97 HydrophobicContact CD1-CG 4.15Å; L60-M97 HydrophobicContact CD2-CE 3.42Å; L60-M97 VanDerWaalsContact CD2-CE 3.42Å; L60-M97 HydrophobicContact CG-CE 4.36Å; L60-K100 PolarHBondContact O-NZ 2.65Å
61	G	84.7	Confident	89.4	Confident	60 Å²	60	67.6 Å²	67.6	62%	0.619	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.8	15.4	178.9	0	0	0	0	0	115	L57 R58 A59	L57-G61 PolarHBondContact O-N 2.81Å; R58-G61 WeakPolarHBondContact O-CA 3.41Å; R58-G61 PolarHBondContact O-N 2.97Å; A59-G61 VanDerWaalsContact C-N 3.25Å; A59-G61 PolarHBondContact O-N 3.18Å
62	F	87.6	Confident	89.5	Confident	45 Å²	45	59.8 Å²	59.8	20%	0.197	34%	0.338	C	S	.	.			trans	-90.8	144.7	168.6	-56.9	-86.9	0	0	0	110.2	L57 R58 L60 P64 K96 K100	L57-F62 CarbonylContact C-O 3.57Å; L57-F62 HydrophobicContact CB-CB 4.31Å; L57-F62 HydrophobicContact CD2-CD2 4.37Å; L57-F62 WeakPolarHBondContact O-CB 3.48Å; L57-F62 WeakPolarHBondContact O-CD2 3.48Å; L57-F62 PolarHBondContact O-N 3.3Å; R58-F62 WeakPolarHBondContact CA-O 3.49Å; R58-F62 VanDerWaalsContact CG-O 3.32Å; R58-F62 WeakPolarHBondContact CG-O 3.3Å; R58-F62 PolarHBondContact N-O 2.88Å; L60-F62 HydrophobicContact CB-CD2 3.72Å; L60-F62 HydrophobicContact CB-CE2 3.72Å; L60-F62 HydrophobicContact CD1-CE2 4.37Å; F62-P64 VanDerWaalsContact O-CD 3.25Å; F62-P64 WeakPolarHBondContact O-CD 3.41Å; F62-K96 HydrophobicContact CD2-CB 4.39Å; F62-K96 HydrophobicContact CE1-CB 4.4Å; F62-K96 HydrophobicContact CE1-CD 4.49Å; F62-K96 HydrophobicContact CE2-CB 3.79Å; F62-K96 HydrophobicContact CZ-CB 3.81Å; F62-K96 WeakPolarHBondContact CZ-O 3.19Å; F62-K100 HydrophobicContact CE1-CB 3.91Å; F62-K100 HydrophobicContact CE1-CD 4.44Å; F62-K100 HydrophobicContact CE2-CD 4.32Å; F62-K100 HydrophobicContact CZ-CB 3.53Å; F62-K100 HydrophobicContact CZ-CD 3.87Å; F62-K100 HydrophobicContact CZ-CG 4.26Å
63	D	89.9	Confident	89.5	Confident	117 Å²	117	59.9 Å²	59.9	63%	0.626	34%	0.339	S	S	*	.			trans	-110.9	83.7	165.2	-168.2	31.8	0	0	0	110.2	R58 T65	R58-D63 IonicContact CZ-OD1 2.67Å; R58-D63 VanDerWaalsContact CZ-OD1 3.31Å; R58-D63 IonicContact NE-OD1 2.96Å; R58-D63 PolarHBondContact NE-OD1 3.36Å; R58-D63 IonicContact NH2-OD1 2.65Å; R58-D63 PolarHBondContact NH2-OD1 3.38Å; D63-T65 PolarHBondContact O-N 3.27Å
64	P	90	Very high	89.4	Confident	8 Å²	8	63.5 Å²	63.5	5%	0.052	36%	0.364	C	S	.	.			trans	-70	134.6	-175.9	31	-37.5	0	0	0	110.9	K54 L57 F62 D68 I69	K54-P64 HydrophobicContact CB-CG 4.46Å; K54-P64 HydrophobicContact CG-CG 3.97Å; L57-P64 HydrophobicContact CB-CG 3.86Å; L57-P64 HydrophobicContact CD1-CB 3.91Å; L57-P64 HydrophobicContact CD1-CG 3.74Å; L57-P64 HydrophobicContact CG-CG 4.47Å; F62-P64 VanDerWaalsContact O-CD 3.25Å; F62-P64 WeakPolarHBondContact O-CD 3.41Å; P64-D68 HydrophobicContact CB-CB 4Å; P64-I69 HydrophobicContact CB-CD1 3.89Å; P64-I69 HydrophobicContact CB-CG1 4.27Å; P64-I69 HydrophobicContact CG-CD1 3.86Å; P64-I69 HydrophobicContact CG-CG1 4.44Å
65	T	90.2	Very high	89.2	Confident	75 Å²	75	65.6 Å²	65.6	46%	0.46	38%	0.375	S	S	.	.			trans	-73.1	167.8	173.7	70.9	0	0	0	0	111.2	D63 A67 D68 I69	D63-T65 PolarHBondContact O-N 3.27Å; T65-A67 PolarHBondContact O-N 2.67Å; T65-A67 PolarHBondContact OG1-N 3.09Å; T65-D68 WeakPolarHBondContact CB-OD2 3Å; T65-D68 WeakPolarHBondContact CG2-OD2 3.49Å; T65-D68 PolarHBondContact N-OD2 2.88Å; T65-D68 PolarHBondContact O-N 2.96Å; T65-D68 PolarHBondContact OG1-N 3.44Å; T65-D68 PolarHBondContact OG1-OD2 2.94Å; T65-I69 WeakPolarHBondContact O-CG1 3.49Å; T65-I69 PolarHBondContact O-N 3.18Å; T65-I69 VanDerWaalsContact O-N 3.12Å
66	A	90.1	Very high	89.1	Confident	68 Å²	68	64.1 Å²	64.1	56%	0.562	36%	0.362	S	S	*	.	H	α-helix	trans	-63.5	-22.4	172.5	0	0	0	0	0	112.9	R70	A66-R70 WeakPolarHBondContact O-CB 3.49Å; A66-R70 VanDerWaalsContact O-CG 3.3Å; A66-R70 WeakPolarHBondContact O-CG 3.31Å; A66-R70 PolarHBondContact O-N 3.22Å; A66-R70 PolarHBondContact O-NE 3.27Å
67	A	89.7	Confident	89	Confident	52 Å²	52	64 Å²	64	43%	0.43	36%	0.36	S	S	.	.	H	α-helix	trans	-73.6	-45.9	173.5	0	0	0	0	0	110.8	T65 I69 R70 Q71	T65-A67 PolarHBondContact O-N 2.67Å; T65-A67 PolarHBondContact OG1-N 3.09Å; A67-I69 VanDerWaalsContact C-N 3.32Å; A67-I69 PolarHBondContact O-N 2.84Å; A67-R70 PolarHBondContact O-N 2.84Å; A67-R70 VanDerWaalsContact O-N 3.12Å; A67-Q71 PolarHBondContact O-N 2.93Å
68	D	88.7	Confident	88.7	Confident	61 Å²	61	69 Å²	69	33%	0.326	39%	0.393	S	S	.	.	H	α-helix	trans	-58.6	-44.7	177.8	-55.9	-45.7	0	0	0	111.5	P64 T65 R70 Q71 I72	P64-D68 HydrophobicContact CB-CB 4Å; T65-D68 WeakPolarHBondContact CB-OD2 3Å; T65-D68 WeakPolarHBondContact CG2-OD2 3.49Å; T65-D68 PolarHBondContact N-OD2 2.88Å; T65-D68 PolarHBondContact O-N 2.96Å; T65-D68 PolarHBondContact OG1-N 3.44Å; T65-D68 PolarHBondContact OG1-OD2 2.94Å; D68-R70 PolarHBondContact O-N 3.32Å; D68-Q71 PolarHBondContact O-N 3.31Å; D68-I72 VanDerWaalsContact O-CG1 3.29Å; D68-I72 WeakPolarHBondContact O-CG1 3.35Å; D68-I72 PolarHBondContact O-N 3.43Å
69	I	90.9	Very high	88.6	Confident	19 Å²	19	69.5 Å²	69.5	10%	0.097	40%	0.4	C	S	.	.	H	α-helix	trans	-63.3	-42.9	177	-61.2	-58.3	0	0	0	111.1	K54 L57 P64 T65 A67 Q71 I72 I73	K54-I69 HydrophobicContact CB-CD1 3.84Å; K54-I69 HydrophobicContact CB-CG1 4.33Å; K54-I69 HydrophobicContact CG-CD1 4.49Å; L57-I69 HydrophobicContact CD1-CD1 4.07Å; P64-I69 HydrophobicContact CB-CD1 3.89Å; P64-I69 HydrophobicContact CB-CG1 4.27Å; P64-I69 HydrophobicContact CG-CD1 3.86Å; P64-I69 HydrophobicContact CG-CG1 4.44Å; T65-I69 WeakPolarHBondContact O-CG1 3.49Å; T65-I69 PolarHBondContact O-N 3.18Å; T65-I69 VanDerWaalsContact O-N 3.12Å; A67-I69 VanDerWaalsContact C-N 3.32Å; A67-I69 PolarHBondContact O-N 2.84Å; I69-Q71 VanDerWaalsContact C-N 3.32Å; I69-Q71 PolarHBondContact O-N 2.98Å; I69-I72 PolarHBondContact O-N 3.47Å; I69-I73 HydrophobicContact CG2-CD1 3.72Å; I69-I73 HydrophobicContact CG2-CG1 4.3Å; I69-I73 WeakPolarHBondContact O-CB 3.26Å; I69-I73 WeakPolarHBondContact O-CG1 3.34Å; I69-I73 PolarHBondContact O-N 2.86Å
70	R	90.3	Very high	88.5	Confident	170 Å²	170	71.5 Å²	71.5	64%	0.642	40%	0.399	S	S	*	.	H	α-helix	trans	-61.5	-40.9	176.9	-80.8	-178.1	-74.4	176	-1.1	112	A66 A67 D68 I73 S74	A66-R70 WeakPolarHBondContact O-CB 3.49Å; A66-R70 VanDerWaalsContact O-CG 3.3Å; A66-R70 WeakPolarHBondContact O-CG 3.31Å; A66-R70 PolarHBondContact O-N 3.22Å; A66-R70 PolarHBondContact O-NE 3.27Å; A67-R70 PolarHBondContact O-N 2.84Å; A67-R70 VanDerWaalsContact O-N 3.12Å; D68-R70 PolarHBondContact O-N 3.32Å; R70-I73 PolarHBondContact O-N 3.21Å; R70-S74 PolarHBondContact O-N 2.96Å; R70-S74 PolarHBondContact O-OG 3.39Å
71	Q	89.7	Confident	88.7	Confident	108 Å²	108	75.5 Å²	75.5	51%	0.505	42%	0.415	S	S	.	.	H	α-helix	trans	-62.9	-50.5	175.7	-178.6	178.2	-9.2	0	0	111.1	A67 D68 I69 I73 S74 E75	A67-Q71 PolarHBondContact O-N 2.93Å; D68-Q71 PolarHBondContact O-N 3.31Å; I69-Q71 VanDerWaalsContact C-N 3.32Å; I69-Q71 PolarHBondContact O-N 2.98Å; Q71-I73 VanDerWaalsContact C-N 3.27Å; Q71-I73 PolarHBondContact O-N 3.09Å; Q71-S74 PolarHBondContact O-N 3.08Å; Q71-S74 PolarHBondContact O-OG 3Å; Q71-E75 VanDerWaalsContact CG-OE1 3.29Å; Q71-E75 WeakPolarHBondContact CG-OE1 3.41Å; Q71-E75 PolarHBondContact NE2-OE1 2.69Å; Q71-E75 WeakPolarHBondContact O-CG 3.19Å; Q71-E75 PolarHBondContact O-N 3.38Å
72	I	89	Confident	89	Confident	11 Å²	11	74 Å²	74	6%	0.056	40%	0.399	C	S	.	.	H	α-helix	trans	-55.6	-44.4	178.4	-72	167.9	0	0	0	111.3	I53 L57 D68 I69 E75 H76 I92	I53-I72 HydrophobicContact CD1-CG2 4.19Å; I53-I72 HydrophobicContact CG2-CG2 4.36Å; L57-I72 HydrophobicContact CD1-CD1 3.7Å; D68-I72 VanDerWaalsContact O-CG1 3.29Å; D68-I72 WeakPolarHBondContact O-CG1 3.35Å; D68-I72 PolarHBondContact O-N 3.43Å; I69-I72 PolarHBondContact O-N 3.47Å; I72-E75 PolarHBondContact O-N 2.93Å; I72-H76 WeakPolarHBondContact O-CB 3.24Å; I72-H76 PolarHBondContact O-N 3.19Å; I72-H76 PolarHBondContact O-ND1 3.28Å; I72-H76 VanDerWaalsContact O-ND1 3.15Å; I72-I92 HydrophobicContact CD1-CG2 4.2Å; I72-I92 HydrophobicContact CG2-CD1 3.45Å; I72-I92 VanDerWaalsContact CG2-CD1 3.45Å; I72-I92 HydrophobicContact CG2-CG1 3.87Å; I72-I92 HydrophobicContact CG2-CG2 4.11Å
73	I	88.6	Confident	89.2	Confident	39 Å²	39	76.4 Å²	76.4	20%	0.2	41%	0.41	C	S	.	.	H	α-helix	trans	-61.9	-47.5	176.8	-67.3	172.3	0	0	0	110.4	A50 I69 R70 Q71 E75 H76 D77	A50-I73 HydrophobicContact CB-CD1 3.98Å; A50-I73 HydrophobicContact CB-CG1 3.75Å; I69-I73 HydrophobicContact CG2-CD1 3.72Å; I69-I73 HydrophobicContact CG2-CG1 4.3Å; I69-I73 WeakPolarHBondContact O-CB 3.26Å; I69-I73 WeakPolarHBondContact O-CG1 3.34Å; I69-I73 PolarHBondContact O-N 2.86Å; R70-I73 PolarHBondContact O-N 3.21Å; Q71-I73 VanDerWaalsContact C-N 3.27Å; Q71-I73 PolarHBondContact O-N 3.09Å; I73-E75 PolarHBondContact O-N 2.8Å; I73-H76 PolarHBondContact O-N 3.48Å; I73-D77 HydrophobicContact CG2-CB 4.28Å; I73-D77 CarbonylContact O-C 3.55Å; I73-D77 WeakPolarHBondContact O-CA 3.47Å; I73-D77 PolarHBondContact O-N 3.06Å
74	S	89.4	Confident	89.4	Confident	77 Å²	77	71 Å²	71	54%	0.538	38%	0.38	S	S	.	.	H	α-helix	trans	-61.8	-28.3	179.6	69.5	0	0	0	0	113.7	R70 Q71	R70-S74 PolarHBondContact O-N 2.96Å; R70-S74 PolarHBondContact O-OG 3.39Å; Q71-S74 PolarHBondContact O-N 3.08Å; Q71-S74 PolarHBondContact O-OG 3Å
75	E	89	Confident	89.5	Confident	111 Å²	111	74.3 Å²	74.3	52%	0.519	40%	0.398	S	S	.	.	H	α-helix	trans	-83.6	-34.6	179.8	-70.4	172.5	-175.1	0	0	113	Q71 I72 I73	Q71-E75 VanDerWaalsContact CG-OE1 3.29Å; Q71-E75 WeakPolarHBondContact CG-OE1 3.41Å; Q71-E75 PolarHBondContact NE2-OE1 2.69Å; Q71-E75 WeakPolarHBondContact O-CG 3.19Å; Q71-E75 PolarHBondContact O-N 3.38Å; I72-E75 PolarHBondContact O-N 2.93Å; I73-E75 PolarHBondContact O-N 2.8Å
76	H	87.9	Confident	89.6	Confident	58 Å²	58	74 Å²	74	27%	0.269	39%	0.39	S	S	.	.	H	α-helix	trans	-112.2	-14.3	-170.8	-64.9	79.4	0	0	0	114.4	I72 I73 P78 I84 I92	I72-H76 WeakPolarHBondContact O-CB 3.24Å; I72-H76 PolarHBondContact O-N 3.19Å; I72-H76 PolarHBondContact O-ND1 3.28Å; I72-H76 VanDerWaalsContact O-ND1 3.15Å; I73-H76 PolarHBondContact O-N 3.48Å; H76-P78 VanDerWaalsContact C-CD 3.48Å; H76-I84 HydrophobicContact CB-CD1 3.82Å; H76-I84 HydrophobicContact CB-CG1 4.22Å; H76-I92 HydrophobicContact CB-CD1 4.08Å; H76-I92 VanDerWaalsContact CE1-CG1 3.44Å; H76-I92 WeakPolarHBondContact CE1-CG1 3.34Å; H76-I92 WeakPolarHBondContact NE2-CG1 3.48Å
77	D	89.1	Confident	89.6	Confident	8 Å²	8	77.7 Å²	77.7	4%	0.043	39%	0.394	C	S	.	.			trans	-133.7	62.7	174.3	-178.2	23.9	0	0	0	110.3	I73 E79 N80 K81 G82 I84	I73-D77 HydrophobicContact CG2-CB 4.28Å; I73-D77 CarbonylContact O-C 3.55Å; I73-D77 WeakPolarHBondContact O-CA 3.47Å; I73-D77 PolarHBondContact O-N 3.06Å; D77-E79 PolarHBondContact O-N 3Å; D77-N80 PolarHBondContact O-N 2.95Å; D77-N80 PolarHBondContact OD1-N 3.38Å; D77-K81 PolarHBondContact OD1-N 2.77Å; D77-K81 PolarHBondContact OD2-N 3.23Å; D77-K81 VanDerWaalsContact OD2-N 3.15Å; D77-G82 VanDerWaalsContact OD2-CA 3.29Å; D77-G82 WeakPolarHBondContact OD2-CA 3.23Å; D77-G82 PolarHBondContact OD2-N 3.4Å; D77-I84 HydrophobicContact CB-CD1 4.49Å; D77-I84 HydrophobicContact CB-CG1 4.21Å
78	P	85.9	Confident	89.7	Confident	105 Å²	105	75.5 Å²	75.5	68%	0.682	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-22	-177.3	28.1	-36.4	0	0	0	113	H76 N80	H76-P78 VanDerWaalsContact C-CD 3.48Å; P78-N80 VanDerWaalsContact C-N 3.26Å
79	E	88	Confident	89.9	Confident	139 Å²	139	72.7 Å²	72.7	65%	0.65	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-1.7	175.6	-67	173.2	93.8	0	0	112.7	D77 K81	D77-E79 PolarHBondContact O-N 3Å; E79-K81 HydrophobicContact CB-CD 4.19Å; E79-K81 HydrophobicContact CB-CG 4.04Å; E79-K81 VanDerWaalsContact CD-CE 3.46Å; E79-K81 PolarHBondContact O-N 3.21Å; E79-K81 WeakPolarHBondContact OE1-CE 3.34Å; E79-K81 IonicContact OE1-NZ 2.82Å; E79-K81 PolarHBondContact OE1-NZ 3.14Å; E79-K81 VanDerWaalsContact OE1-NZ 3.15Å; E79-K81 VanDerWaalsContact OE2-CE 3.29Å; E79-K81 WeakPolarHBondContact OE2-CE 3.25Å; E79-K81 IonicContact OE2-NZ 2.8Å; E79-K81 PolarHBondContact OE2-NZ 3.43Å
80	N	85.4	Confident	89.9	Confident	131 Å²	131	73.7 Å²	73.7	70%	0.701	37%	0.367	S	S	*	.			trans	51	42.3	-179.1	-167.7	40.6	0	0	0	112.6	D77 P78 G82	D77-N80 PolarHBondContact O-N 2.95Å; D77-N80 PolarHBondContact OD1-N 3.38Å; P78-N80 VanDerWaalsContact C-N 3.26Å; N80-G82 PolarHBondContact O-N 3.26Å
81	K	89	Confident	89.9	Confident	123 Å²	123	69.6 Å²	69.6	54%	0.535	36%	0.357	S	S	.	.			trans	-67.7	-21.1	174.7	-70.4	168.9	174.6	165.8	0	111	D77 E79 F83	D77-K81 PolarHBondContact OD1-N 2.77Å; D77-K81 PolarHBondContact OD2-N 3.23Å; D77-K81 VanDerWaalsContact OD2-N 3.15Å; E79-K81 HydrophobicContact CB-CD 4.19Å; E79-K81 HydrophobicContact CB-CG 4.04Å; E79-K81 VanDerWaalsContact CD-CE 3.46Å; E79-K81 PolarHBondContact O-N 3.21Å; E79-K81 WeakPolarHBondContact OE1-CE 3.34Å; E79-K81 IonicContact OE1-NZ 2.82Å; E79-K81 PolarHBondContact OE1-NZ 3.14Å; E79-K81 VanDerWaalsContact OE1-NZ 3.15Å; E79-K81 VanDerWaalsContact OE2-CE 3.29Å; E79-K81 WeakPolarHBondContact OE2-CE 3.25Å; E79-K81 IonicContact OE2-NZ 2.8Å; E79-K81 PolarHBondContact OE2-NZ 3.43Å; K81-F83 VanDerWaalsContact C-N 3.31Å; K81-F83 WeakPolarHBondContact O-CD2 3.32Å; K81-F83 WeakPolarHBondContact O-CE2 3.43Å
82	G	90.4	Very high	90	Very high	28 Å²	28	64.6 Å²	64.6	29%	0.289	33%	0.334	S	S	.	.	S	Bend	trans	83.4	6.8	-175.2	0	0	0	0	0	113.4	K49 A50 D77 N80	K49-G82 WeakPolarHBondContact CA-O 3.49Å; A50-G82 PolarHBondContact N-O 3.38Å; D77-G82 VanDerWaalsContact OD2-CA 3.29Å; D77-G82 WeakPolarHBondContact OD2-CA 3.23Å; D77-G82 PolarHBondContact OD2-N 3.4Å; N80-G82 PolarHBondContact O-N 3.26Å
83	F	92.7	Very high	90.1	Very high	96 Å²	96	64.1 Å²	64.1	42%	0.421	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	145.8	-171.9	-63.9	-80.8	0	0	0	111.7	L47 I48 K49 K81	L47-F83 HydrophobicContact CB-CB 4.25Å; L47-F83 HydrophobicContact CB-CD1 4.2Å; L47-F83 HydrophobicContact CD1-CB 4.36Å; I48-F83 CarbonylContact O-C 3.49Å; I48-F83 VanDerWaalsContact O-CA 3.25Å; I48-F83 WeakPolarHBondContact O-CA 3.33Å; K49-F83 HydrophobicContact CG-CD1 4.24Å; K49-F83 HydrophobicContact CG-CE1 3.86Å; K81-F83 VanDerWaalsContact C-N 3.31Å; K81-F83 WeakPolarHBondContact O-CD2 3.32Å; K81-F83 WeakPolarHBondContact O-CE2 3.43Å
84	I	92.6	Very high	90.1	Very high	3 Å²	3	63.3 Å²	63.3	2%	0.015	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	134.7	175.8	-74.1	167.9	0	0	0	108.4	I48 A50 I53 H76 D77 F89 I92	I48-I84 HydrophobicContact CG1-CB 4.46Å; I48-I84 WeakPolarHBondContact CG1-O 3.34Å; I48-I84 PolarHBondContact N-O 3Å; I48-I84 PolarHBondContact O-N 3.27Å; A50-I84 HydrophobicContact CB-CD1 3.94Å; A50-I84 HydrophobicContact CB-CG1 4.37Å; I53-I84 HydrophobicContact CD1-CB 4.29Å; I53-I84 HydrophobicContact CD1-CD1 3.19Å; I53-I84 HydrophobicContact CD1-CG1 4.26Å; I53-I84 HydrophobicContact CD1-CG2 4.43Å; H76-I84 HydrophobicContact CB-CD1 3.82Å; H76-I84 HydrophobicContact CB-CG1 4.22Å; D77-I84 HydrophobicContact CB-CD1 4.49Å; D77-I84 HydrophobicContact CB-CG1 4.21Å; I84-F89 HydrophobicContact CG2-CB 4.47Å; I84-I92 HydrophobicContact CD1-CD1 4.14Å; I84-I92 HydrophobicContact CG2-CD1 4.38Å
85	D	92.9	Very high	90	Very high	78 Å²	78	62.6 Å²	62.6	42%	0.417	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	172.4	177.4	71.7	-0.2	0	0	0	111.6	L47 K87 G88 F89	L47-D85 HydrophobicContact CD2-CB 3.9Å; D85-K87 PolarHBondContact O-N 3.2Å; D85-K87 PolarHBondContact OD1-N 2.89Å; D85-G88 PolarHBondContact O-N 2.82Å; D85-G88 PolarHBondContact OD1-N 3.33Å; D85-F89 PolarHBondContact O-N 3.47Å
86	F	92	Very high	89.8	Confident	68 Å²	68	59.4 Å²	59.4	30%	0.298	31%	0.308	S	S	.	.	H	α-helix	trans	-58.8	-33.2	179.2	-178.9	-118.7	0	0	0	112.8	L34 F37 F89 L90	L34-F86 HydrophobicContact CB-CE2 4.21Å; L34-F86 HydrophobicContact CB-CZ 3.97Å; L34-F86 HydrophobicContact CD1-CD2 4.34Å; L34-F86 HydrophobicContact CD1-CE1 4.17Å; L34-F86 HydrophobicContact CD1-CE2 3.88Å; L34-F86 HydrophobicContact CD1-CZ 3.78Å; L34-F86 HydrophobicContact CG-CZ 4.47Å; F37-F86 HydrophobicContact CB-CD2 3.71Å; F37-F86 HydrophobicContact CB-CE2 3.94Å; F37-F86 HydrophobicContact CD1-CB 4.29Å; F37-F86 AromaticContact CD1-CD2 3.93Å; F37-F86 HydrophobicContact CD1-CD2 3.93Å; F37-F86 HydrophobicContact CD1-CG 4.48Å; F37-F86 HydrophobicContact CD2-CB 4.33Å; F37-F86 AromaticContact CD2-CD2 3.75Å; F37-F86 HydrophobicContact CD2-CD2 3.75Å; F37-F86 HydrophobicContact CE1-CB 4.05Å; F37-F86 VanDerWaalsContact CE2-CA 3.46Å; F37-F86 HydrophobicContact CE2-CB 4.05Å; F37-F86 HydrophobicContact CE2-CD2 4.33Å; F37-F86 HydrophobicContact CG-CB 4.43Å; F37-F86 AromaticContact CG-CD2 3.51Å; F37-F86 HydrophobicContact CG-CD2 3.51Å; F37-F86 HydrophobicContact CG-CE2 4.26Å; F37-F86 HydrophobicContact CG-CG 4.41Å; F37-F86 HydrophobicContact CZ-CB 3.91Å; F86-F89 HydrophobicContact CD2-CD1 4.32Å; F86-F89 HydrophobicContact CE2-CD1 4.33Å; F86-F89 PolarHBondContact O-N 3.28Å; F86-L90 VanDerWaalsContact O-CB 3.27Å; F86-L90 WeakPolarHBondContact O-CB 3.5Å; F86-L90 PolarHBondContact O-N 2.95Å
87	K	91	Very high	89.7	Confident	146 Å²	146	58.5 Å²	58.5	64%	0.635	30%	0.304	S	S	*	.	H	α-helix	trans	-67.2	-45.9	178.9	-176.7	-177.6	176.7	-173.8	0	111.2	D85 L90 N91	D85-K87 PolarHBondContact O-N 3.2Å; D85-K87 PolarHBondContact OD1-N 2.89Å; K87-L90 PolarHBondContact O-N 3.02Å; K87-N91 VanDerWaalsContact O-CG 3.24Å; K87-N91 PolarHBondContact O-N 3Å
88	G	90.7	Very high	89.4	Confident	7 Å²	7	59 Å²	59	7%	0.072	31%	0.308	C	S	.	.	H	α-helix	trans	-62.8	-44.6	175	0	0	0	0	0	111.4	D85 L90 N91 I92	D85-G88 PolarHBondContact O-N 2.82Å; D85-G88 PolarHBondContact OD1-N 3.33Å; G88-L90 PolarHBondContact O-N 3.3Å; G88-N91 PolarHBondContact O-N 2.92Å; G88-I92 WeakPolarHBondContact O-CD1 3.33Å; G88-I92 VanDerWaalsContact O-CG1 3.23Å; G88-I92 WeakPolarHBondContact O-CG1 3.36Å; G88-I92 PolarHBondContact O-N 2.96Å
89	F	92.8	Very high	89.2	Confident	1 Å²	1	56.7 Å²	56.7	0%	0.004	29%	0.288	C	S	.	.	H	α-helix	trans	-57.1	-48	173.7	177	-94.7	0	0	0	112	L33 A36 F37 L40 I48 A56 I84 D85 F86 N91 I92 M93	L33-F89 HydrophobicContact CB-CE1 4.23Å; L33-F89 HydrophobicContact CD2-CE1 4.21Å; L33-F89 WeakPolarHBondContact O-CE1 3.29Å; A36-F89 HydrophobicContact CB-CZ 4.23Å; F37-F89 HydrophobicContact CB-CD1 4.1Å; F37-F89 HydrophobicContact CB-CE1 4.05Å; F37-F89 HydrophobicContact CD2-CB 3.69Å; F37-F89 AromaticContact CD2-CD1 3.86Å; F37-F89 HydrophobicContact CD2-CD1 3.86Å; F37-F89 HydrophobicContact CD2-CD2 4.11Å; F37-F89 HydrophobicContact CD2-CE1 4.5Å; F37-F89 AromaticContact CD2-CG 3.63Å; F37-F89 HydrophobicContact CD2-CG 3.63Å; F37-F89 HydrophobicContact CE2-CB 3.92Å; F37-F89 HydrophobicContact CE2-CG 4.33Å; F37-F89 HydrophobicContact CG-CD1 4.45Å; L40-F89 HydrophobicContact CD1-CE2 3.95Å; I48-F89 HydrophobicContact CD1-CB 4.34Å; I48-F89 HydrophobicContact CD1-CD2 3.46Å; I48-F89 VanDerWaalsContact CD1-CD2 3.46Å; I48-F89 HydrophobicContact CD1-CE2 4.08Å; I48-F89 HydrophobicContact CD1-CG 4.25Å; A56-F89 HydrophobicContact CB-CE2 3.55Å; A56-F89 HydrophobicContact CB-CZ 3.85Å; I84-F89 HydrophobicContact CG2-CB 4.47Å; D85-F89 PolarHBondContact O-N 3.47Å; F86-F89 HydrophobicContact CD2-CD1 4.32Å; F86-F89 HydrophobicContact CE2-CD1 4.33Å; F86-F89 PolarHBondContact O-N 3.28Å; F89-N91 VanDerWaalsContact C-N 3.34Å; F89-N91 PolarHBondContact O-N 2.78Å; F89-I92 PolarHBondContact O-N 2.96Å; F89-M93 HydrophobicContact CD1-CG 4.12Å; F89-M93 HydrophobicContact CD2-CE 4Å; F89-M93 HydrophobicContact CD2-CG 4.25Å; F89-M93 HydrophobicContact CE1-CG 3.79Å; F89-M93 HydrophobicContact CE2-CE 3.56Å; F89-M93 HydrophobicContact CE2-CG 4Å; F89-M93 HydrophobicContact CE2-SD 4.42Å; F89-M93 HydrophobicContact CG-CG 4.34Å; F89-M93 HydrophobicContact CZ-CE 4.08Å; F89-M93 HydrophobicContact CZ-CG 3.75Å; F89-M93 HydrophobicContact CZ-SD 4.36Å; F89-M93 WeakPolarHBondContact O-CB 3.32Å; F89-M93 VanDerWaalsContact O-CG 3.26Å; F89-M93 WeakPolarHBondContact O-CG 2.91Å; F89-M93 PolarHBondContact O-N 3.45Å
90	L	91.5	Very high	88.8	Confident	41 Å²	41	55.1 Å²	55.1	22%	0.215	28%	0.279	C	S	.	.	H	α-helix	trans	-61	-43.4	178.8	-171.4	67.8	0	0	0	111.3	L25 L33 F86 K87 G88 M93 T94	L25-L90 HydrophobicContact CD1-CD1 3.61Å; L25-L90 HydrophobicContact CD1-CG 4.44Å; L33-L90 HydrophobicContact CB-CD1 4.32Å; L33-L90 HydrophobicContact CD1-CD1 3.66Å; F86-L90 VanDerWaalsContact O-CB 3.27Å; F86-L90 WeakPolarHBondContact O-CB 3.5Å; F86-L90 PolarHBondContact O-N 2.95Å; K87-L90 PolarHBondContact O-N 3.02Å; G88-L90 PolarHBondContact O-N 3.3Å; L90-M93 PolarHBondContact O-N 2.99Å; L90-T94 VanDerWaalsContact O-CB 3.23Å; L90-T94 WeakPolarHBondContact O-CB 3.35Å; L90-T94 PolarHBondContact O-N 3.46Å; L90-T94 PolarHBondContact O-OG1 3Å
91	N	90.2	Very high	88.5	Confident	83 Å²	83	51.3 Å²	51.3	44%	0.444	26%	0.262	S	S	.	.	H	α-helix	trans	-60.2	-47.5	176.8	-72.5	-14.5	0	0	0	111.6	K87 G88 F89 S95	K87-N91 VanDerWaalsContact O-CG 3.24Å; K87-N91 PolarHBondContact O-N 3Å; G88-N91 PolarHBondContact O-N 2.92Å; F89-N91 VanDerWaalsContact C-N 3.34Å; F89-N91 PolarHBondContact O-N 2.78Å; N91-S95 WeakPolarHBondContact O-CB 3.26Å; N91-S95 PolarHBondContact O-N 3Å
92	I	91.3	Very high	88.2	Confident	4 Å²	4	47.1 Å²	47.1	2%	0.021	25%	0.246	C	C	.	.	H	α-helix	trans	-60.3	-51.1	178.5	-64.9	159.4	0	0	0	110.5	I53 L57 I72 H76 I84 G88 F89 S95 K96	I53-I92 HydrophobicContact CD1-CD1 3.7Å; I53-I92 HydrophobicContact CG2-CG2 4.18Å; L57-I92 HydrophobicContact CD2-CG2 4.44Å; I72-I92 HydrophobicContact CD1-CG2 4.2Å; I72-I92 HydrophobicContact CG2-CD1 3.45Å; I72-I92 VanDerWaalsContact CG2-CD1 3.45Å; I72-I92 HydrophobicContact CG2-CG1 3.87Å; I72-I92 HydrophobicContact CG2-CG2 4.11Å; H76-I92 HydrophobicContact CB-CD1 4.08Å; H76-I92 VanDerWaalsContact CE1-CG1 3.44Å; H76-I92 WeakPolarHBondContact CE1-CG1 3.34Å; H76-I92 WeakPolarHBondContact NE2-CG1 3.48Å; I84-I92 HydrophobicContact CD1-CD1 4.14Å; I84-I92 HydrophobicContact CG2-CD1 4.38Å; G88-I92 WeakPolarHBondContact O-CD1 3.33Å; G88-I92 VanDerWaalsContact O-CG1 3.23Å; G88-I92 WeakPolarHBondContact O-CG1 3.36Å; G88-I92 PolarHBondContact O-N 2.96Å; F89-I92 PolarHBondContact O-N 2.96Å; I92-S95 PolarHBondContact O-N 3.17Å; I92-K96 WeakPolarHBondContact O-CG 3.45Å; I92-K96 PolarHBondContact O-N 2.9Å
93	M	91.6	Very high	88	Confident	1 Å²	1	50.8 Å²	50.8	1%	0.005	25%	0.254	C	S	.	.	H	α-helix	trans	-67.3	-39.5	-176	-65.5	-62.6	152.6	0	0	111.7	L33 I53 A56 L57 L60 F89 L90 K96 M97	L33-M93 HydrophobicContact CD1-CB 3.96Å; L33-M93 HydrophobicContact CD2-CB 3.65Å; L33-M93 HydrophobicContact CD2-CG 3.91Å; L33-M93 HydrophobicContact CG-CB 4.47Å; I53-M93 HydrophobicContact CG2-CE 4Å; A56-M93 HydrophobicContact CB-CE 3.3Å; A56-M93 HydrophobicContact CB-SD 4.07Å; L57-M93 HydrophobicContact CD2-CE 3.9Å; L57-M93 HydrophobicContact CD2-SD 3.93Å; L57-M93 HydrophobicContact CG-CE 3.94Å; L60-M93 HydrophobicContact CD1-CB 4.27Å; L60-M93 HydrophobicContact CD1-CG 4.41Å; L60-M93 HydrophobicContact CD1-SD 3.43Å; L60-M93 WeakPolarHBondContact CD1-SD 3.43Å; L60-M93 HydrophobicContact CG-SD 4.34Å; F89-M93 HydrophobicContact CD1-CG 4.12Å; F89-M93 HydrophobicContact CD2-CE 4Å; F89-M93 HydrophobicContact CD2-CG 4.25Å; F89-M93 HydrophobicContact CE1-CG 3.79Å; F89-M93 HydrophobicContact CE2-CE 3.56Å; F89-M93 HydrophobicContact CE2-CG 4Å; F89-M93 HydrophobicContact CE2-SD 4.42Å; F89-M93 HydrophobicContact CG-CG 4.34Å; F89-M93 HydrophobicContact CZ-CE 4.08Å; F89-M93 HydrophobicContact CZ-CG 3.75Å; F89-M93 HydrophobicContact CZ-SD 4.36Å; F89-M93 WeakPolarHBondContact O-CB 3.32Å; F89-M93 VanDerWaalsContact O-CG 3.26Å; F89-M93 WeakPolarHBondContact O-CG 2.91Å; F89-M93 PolarHBondContact O-N 3.45Å; L90-M93 PolarHBondContact O-N 2.99Å; M93-K96 PolarHBondContact O-N 3.09Å; M93-M97 WeakPolarHBondContact O-CB 3.42Å; M93-M97 VanDerWaalsContact O-CG 3.26Å; M93-M97 WeakPolarHBondContact O-CG 3.4Å; M93-M97 PolarHBondContact O-N 3.17Å
94	T	88.9	Confident	87.7	Confident	21 Å²	21	48.7 Å²	48.7	13%	0.129	26%	0.255	C	S	.	.	H	α-helix	trans	-63.5	-47.7	175.5	-53.4	0	0	0	0	110.4	L23 L25 L90 K96 M97 T98	L23-T94 HydrophobicContact CB-CG2 4.36Å; L25-T94 HydrophobicContact CD1-CG2 4.47Å; L25-T94 VanDerWaalsContact CD1-OG1 3.29Å; L25-T94 WeakPolarHBondContact CD1-OG1 3.48Å; L25-T94 HydrophobicContact CD2-CG2 4.2Å; L25-T94 HydrophobicContact CG-CG2 4.1Å; L90-T94 VanDerWaalsContact O-CB 3.23Å; L90-T94 WeakPolarHBondContact O-CB 3.35Å; L90-T94 PolarHBondContact O-N 3.46Å; L90-T94 PolarHBondContact O-OG1 3Å; T94-K96 VanDerWaalsContact C-N 3.29Å; T94-K96 PolarHBondContact O-N 3.4Å; T94-M97 PolarHBondContact O-N 3.01Å; T94-T98 PolarHBondContact O-N 3.22Å; T94-T98 PolarHBondContact O-OG1 2.69Å; T94-T98 VanDerWaalsContact O-OG1 3.06Å
95	S	86.4	Confident	87.6	Confident	62 Å²	62	52.4 Å²	52.4	43%	0.434	27%	0.274	S	S	.	.	H	α-helix	trans	-56.1	-45.8	177	-169.8	0	0	0	0	111.3	N91 I92 T98 E99	N91-S95 WeakPolarHBondContact O-CB 3.26Å; N91-S95 PolarHBondContact O-N 3Å; I92-S95 PolarHBondContact O-N 3.17Å; S95-T98 WeakPolarHBondContact O-CB 3.48Å; S95-T98 PolarHBondContact O-N 3.42Å; S95-E99 WeakPolarHBondContact O-CG 3.31Å; S95-E99 PolarHBondContact O-N 3.24Å
96	K	86	Confident	87.4	Confident	45 Å²	45	48.8 Å²	48.8	20%	0.196	26%	0.255	C	S	.	.	H	α-helix	trans	-68.3	-40.8	179.1	-69.4	-69.1	173.1	-141.4	0	112.4	L57 F62 I92 M93 T94 T98 E99 K100	L57-K96 HydrophobicContact CD2-CB 4.11Å; L57-K96 HydrophobicContact CD2-CG 3.71Å; F62-K96 HydrophobicContact CD2-CB 4.39Å; F62-K96 HydrophobicContact CE1-CB 4.4Å; F62-K96 HydrophobicContact CE1-CD 4.49Å; F62-K96 HydrophobicContact CE2-CB 3.79Å; F62-K96 HydrophobicContact CZ-CB 3.81Å; F62-K96 WeakPolarHBondContact CZ-O 3.19Å; I92-K96 WeakPolarHBondContact O-CG 3.45Å; I92-K96 PolarHBondContact O-N 2.9Å; M93-K96 PolarHBondContact O-N 3.09Å; T94-K96 VanDerWaalsContact C-N 3.29Å; T94-K96 PolarHBondContact O-N 3.4Å; K96-T98 VanDerWaalsContact C-N 3.28Å; K96-T98 PolarHBondContact O-N 2.87Å; K96-E99 WeakPolarHBondContact CD-OE2 3.32Å; K96-E99 IonicContact NZ-OE1 2.91Å; K96-E99 PolarHBondContact NZ-OE1 3.12Å; K96-E99 IonicContact NZ-OE2 2.8Å; K96-E99 PolarHBondContact NZ-OE2 3.38Å; K96-E99 PolarHBondContact O-N 3.38Å; K96-K100 PolarHBondContact O-N 3.25Å
97	M	84.9	Confident	87.4	Confident	38 Å²	38	47.1 Å²	47.1	19%	0.187	25%	0.249	C	C	.	.	H	α-helix	trans	-58.7	-40.5	173.1	-76.2	-179.3	168.8	0	0	112	L25 L33 L60 M93 T94 K100 S101	L25-M97 HydrophobicContact CD2-SD 3.79Å; L33-M97 HydrophobicContact CD1-CE 4.4Å; L33-M97 HydrophobicContact CD1-SD 4.37Å; L33-M97 HydrophobicContact CD2-CE 3.98Å; L33-M97 HydrophobicContact CG-CE 4.3Å; L60-M97 HydrophobicContact CD1-CE 3.99Å; L60-M97 HydrophobicContact CD1-CG 4.15Å; L60-M97 HydrophobicContact CD2-CE 3.42Å; L60-M97 VanDerWaalsContact CD2-CE 3.42Å; L60-M97 HydrophobicContact CG-CE 4.36Å; M93-M97 WeakPolarHBondContact O-CB 3.42Å; M93-M97 VanDerWaalsContact O-CG 3.26Å; M93-M97 WeakPolarHBondContact O-CG 3.4Å; M93-M97 PolarHBondContact O-N 3.17Å; T94-M97 PolarHBondContact O-N 3.01Å; M97-K100 PolarHBondContact O-N 3.24Å; M97-S101 PolarHBondContact O-N 3.4Å
98	T	82.4	Confident	87.5	Confident	19 Å²	19	46.4 Å²	46.4	12%	0.117	25%	0.246	C	C	.	.	H	α-helix	trans	-60.5	-55.4	173	-55.6	0	0	0	0	111.2	L23 T94 S95 K96 K100 S101 D102	L23-T98 WeakPolarHBondContact CB-OG1 3.34Å; L23-T98 HydrophobicContact CD1-CG2 4.32Å; T94-T98 PolarHBondContact O-N 3.22Å; T94-T98 PolarHBondContact O-OG1 2.69Å; T94-T98 VanDerWaalsContact O-OG1 3.06Å; S95-T98 WeakPolarHBondContact O-CB 3.48Å; S95-T98 PolarHBondContact O-N 3.42Å; K96-T98 VanDerWaalsContact C-N 3.28Å; K96-T98 PolarHBondContact O-N 2.87Å; T98-K100 PolarHBondContact O-N 2.76Å; T98-K100 VanDerWaalsContact O-N 3.09Å; T98-S101 WeakPolarHBondContact O-CB 3.48Å; T98-S101 PolarHBondContact O-N 3.05Å; T98-D102 WeakPolarHBondContact CG2-OD2 3.16Å; T98-D102 VanDerWaalsContact O-CG 3.25Å; T98-D102 PolarHBondContact O-N 3.32Å
99	E	81.7	Confident	87.5	Confident	57 Å²	57	46.1 Å²	46.1	27%	0.266	24%	0.243	S	C	.	.	H	α-helix	trans	-52.8	-38.3	178.8	-71.8	172	-143.7	0	0	112.8	S95 K96 K103	S95-E99 WeakPolarHBondContact O-CG 3.31Å; S95-E99 PolarHBondContact O-N 3.24Å; K96-E99 WeakPolarHBondContact CD-OE2 3.32Å; K96-E99 IonicContact NZ-OE1 2.91Å; K96-E99 PolarHBondContact NZ-OE1 3.12Å; K96-E99 IonicContact NZ-OE2 2.8Å; K96-E99 PolarHBondContact NZ-OE2 3.38Å; K96-E99 PolarHBondContact O-N 3.38Å; E99-K103 VanDerWaalsContact O-CB 3.27Å; E99-K103 WeakPolarHBondContact O-CB 3.46Å; E99-K103 PolarHBondContact O-N 3.46Å
100	K	80.2	Confident	87.5	Confident	106 Å²	106	46.2 Å²	46.2	46%	0.461	24%	0.243	S	C	.	.	H	α-helix	trans	-74.2	-37.5	177.9	180	179.2	-173.6	-175.2	0	113.1	L60 F62 K96 M97 T98 A104	L60-K100 PolarHBondContact O-NZ 2.65Å; F62-K100 HydrophobicContact CE1-CB 3.91Å; F62-K100 HydrophobicContact CE1-CD 4.44Å; F62-K100 HydrophobicContact CE2-CD 4.32Å; F62-K100 HydrophobicContact CZ-CB 3.53Å; F62-K100 HydrophobicContact CZ-CD 3.87Å; F62-K100 HydrophobicContact CZ-CG 4.26Å; K96-K100 PolarHBondContact O-N 3.25Å; M97-K100 PolarHBondContact O-N 3.24Å; T98-K100 PolarHBondContact O-N 2.76Å; T98-K100 VanDerWaalsContact O-N 3.09Å; K100-A104 WeakPolarHBondContact O-CB 3.48Å; K100-A104 PolarHBondContact O-N 3.03Å
101	S	79	Confident	87.7	Confident	50 Å²	50	52.3 Å²	52.3	35%	0.35	26%	0.263	S	S	.	.	H	α-helix	trans	-63.2	-49.8	174.2	-165.2	0	0	0	0	109.9	M97 T98 K103 A104 D105	M97-S101 PolarHBondContact O-N 3.4Å; T98-S101 WeakPolarHBondContact O-CB 3.48Å; T98-S101 PolarHBondContact O-N 3.05Å; S101-K103 VanDerWaalsContact C-N 3.34Å; S101-K103 PolarHBondContact O-N 3.14Å; S101-A104 WeakPolarHBondContact O-CA 3.25Å; S101-A104 WeakPolarHBondContact O-CB 3.11Å; S101-A104 PolarHBondContact O-N 3.27Å; S101-D105 PolarHBondContact O-N 2.84Å
102	D	83.9	Confident	87.9	Confident	35 Å²	35	52 Å²	52	19%	0.187	26%	0.261	C	S	.	.	H	α-helix	trans	-60.6	-46.5	-179.5	-59.6	-19.2	0	0	0	110.1	T98 A104 D105 L106 F172	T98-D102 WeakPolarHBondContact CG2-OD2 3.16Å; T98-D102 VanDerWaalsContact O-CG 3.25Å; T98-D102 PolarHBondContact O-N 3.32Å; D102-A104 VanDerWaalsContact C-N 3.29Å; D102-A104 PolarHBondContact O-N 2.93Å; D102-D105 PolarHBondContact O-N 3.17Å; D102-D105 VanDerWaalsContact O-N 3.17Å; D102-L106 WeakPolarHBondContact O-CB 3.27Å; D102-L106 VanDerWaalsContact O-CG 3.23Å; D102-L106 WeakPolarHBondContact O-CG 3.47Å; D102-L106 PolarHBondContact O-N 3.1Å; D102-F172 HydrophobicContact CB-CB 3.96Å; D102-F172 HydrophobicContact CB-CD1 4.47Å; D102-F172 HydrophobicContact CB-CG 4.27Å; D102-F172 WeakPolarHBondContact OD2-CB 3.44Å
103	K	85.8	Confident	88	Confident	105 Å²	105	51.9 Å²	51.9	46%	0.457	26%	0.261	S	S	.	.	H	α-helix	trans	-56.9	-41	173.6	-179.2	173.9	177.4	174.5	0	112.5	E99 S101 L106 I107 L163	E99-K103 VanDerWaalsContact O-CB 3.27Å; E99-K103 WeakPolarHBondContact O-CB 3.46Å; E99-K103 PolarHBondContact O-N 3.46Å; S101-K103 VanDerWaalsContact C-N 3.34Å; S101-K103 PolarHBondContact O-N 3.14Å; K103-L106 PolarHBondContact O-N 3.01Å; K103-I107 HydrophobicContact CG-CD1 3.93Å; K103-I107 HydrophobicContact CG-CG1 4.5Å; K103-I107 VanDerWaalsContact O-CG1 3.25Å; K103-I107 WeakPolarHBondContact O-CG1 3.45Å; K103-I107 PolarHBondContact O-N 3.15Å; K103-L163 HydrophobicContact CG-CD2 4.26Å
104	A	87	Confident	88.2	Confident	53 Å²	53	52.5 Å²	52.5	44%	0.438	26%	0.264	S	S	.	.	H	α-helix	trans	-67.2	-39.5	178.7	0	0	0	0	0	112	K100 S101 D102 I107 K108	K100-A104 WeakPolarHBondContact O-CB 3.48Å; K100-A104 PolarHBondContact O-N 3.03Å; S101-A104 WeakPolarHBondContact O-CA 3.25Å; S101-A104 WeakPolarHBondContact O-CB 3.11Å; S101-A104 PolarHBondContact O-N 3.27Å; D102-A104 VanDerWaalsContact C-N 3.29Å; D102-A104 PolarHBondContact O-N 2.93Å; A104-I107 PolarHBondContact O-N 3.12Å; A104-K108 WeakPolarHBondContact O-CB 3.4Å; A104-K108 PolarHBondContact O-N 3.38Å
105	D	88.8	Confident	88.4	Confident	81 Å²	81	56.5 Å²	56.5	43%	0.433	29%	0.285	S	S	.	.	H	α-helix	trans	-66.9	-39.1	176.1	-70.8	-32.2	0	0	0	111.5	S101 D102 K108 A109 L133	S101-D105 PolarHBondContact O-N 2.84Å; D102-D105 PolarHBondContact O-N 3.17Å; D102-D105 VanDerWaalsContact O-N 3.17Å; D105-K108 PolarHBondContact O-N 2.91Å; D105-A109 WeakPolarHBondContact O-CB 3.29Å; D105-A109 PolarHBondContact O-N 3.21Å; D105-L133 HydrophobicContact CB-CD2 4.5Å
106	L	89.7	Confident	88.7	Confident	2 Å²	2	58.2 Å²	58.2	1%	0.01	29%	0.289	C	S	.	.	H	α-helix	trans	-60.2	-50.9	171.8	-69.1	178	0	0	0	111.9	D102 K103 K108 A109 F110 L133 F162 L163 M166 F172	D102-L106 WeakPolarHBondContact O-CB 3.27Å; D102-L106 VanDerWaalsContact O-CG 3.23Å; D102-L106 WeakPolarHBondContact O-CG 3.47Å; D102-L106 PolarHBondContact O-N 3.1Å; K103-L106 PolarHBondContact O-N 3.01Å; L106-K108 PolarHBondContact O-N 3.16Å; L106-A109 PolarHBondContact O-N 2.91Å; L106-F110 WeakPolarHBondContact O-CB 3.36Å; L106-F110 PolarHBondContact O-N 3.21Å; L106-L133 HydrophobicContact CD2-CD1 3.32Å; L106-L133 HydrophobicContact CD2-CD2 3.87Å; L106-L133 HydrophobicContact CD2-CG 4.22Å; L106-F162 HydrophobicContact CB-CE1 3.97Å; L106-F162 HydrophobicContact CD2-CE1 4.11Å; L106-F162 HydrophobicContact CD2-CZ 4.38Å; L106-F162 WeakPolarHBondContact O-CE1 3.38Å; L106-L163 HydrophobicContact CB-CD2 3.65Å; L106-L163 HydrophobicContact CD1-CD2 3.93Å; L106-L163 HydrophobicContact CG-CD2 4.46Å; L106-M166 HydrophobicContact CD1-CB 3.81Å; L106-M166 HydrophobicContact CD2-CB 3.78Å; L106-M166 HydrophobicContact CD2-CG 3.79Å; L106-M166 HydrophobicContact CG-CB 4.45Å; L106-F172 HydrophobicContact CD1-CD1 3.81Å; L106-F172 HydrophobicContact CD1-CE1 3.24Å; L106-F172 HydrophobicContact CD1-CZ 4.02Å
107	I	91.9	Very high	89	Confident	33 Å²	33	63.2 Å²	63.2	17%	0.169	32%	0.318	C	S	.	.	H	α-helix	trans	-59.4	-39.5	177.3	-68.6	166.9	0	0	0	110.5	K103 A104 F110 R111 L163	K103-I107 HydrophobicContact CG-CD1 3.93Å; K103-I107 HydrophobicContact CG-CG1 4.5Å; K103-I107 VanDerWaalsContact O-CG1 3.25Å; K103-I107 WeakPolarHBondContact O-CG1 3.45Å; K103-I107 PolarHBondContact O-N 3.15Å; A104-I107 PolarHBondContact O-N 3.12Å; I107-F110 PolarHBondContact O-N 3.27Å; I107-R111 VanDerWaalsContact O-CG 3.31Å; I107-R111 WeakPolarHBondContact O-CG 3.3Å; I107-R111 PolarHBondContact O-N 3.1Å; I107-L163 HydrophobicContact CG1-CD1 4.4Å; I107-L163 HydrophobicContact CG1-CD2 4.24Å
108	K	92.2	Very high	89.4	Confident	130 Å²	130	64 Å²	64	57%	0.565	33%	0.327	S	S	*	.	H	α-helix	trans	-65.8	-44.6	177	-174	-178.2	177.1	-172.6	0	111.7	A104 D105 L106 F110 R111 I112	A104-K108 WeakPolarHBondContact O-CB 3.4Å; A104-K108 PolarHBondContact O-N 3.38Å; D105-K108 PolarHBondContact O-N 2.91Å; L106-K108 PolarHBondContact O-N 3.16Å; K108-F110 VanDerWaalsContact C-N 3.33Å; K108-R111 PolarHBondContact O-N 3.4Å; K108-I112 HydrophobicContact CG-CD1 3.99Å; K108-I112 WeakPolarHBondContact O-CD1 3.44Å; K108-I112 VanDerWaalsContact O-CG1 3.24Å; K108-I112 WeakPolarHBondContact O-CG1 3.49Å; K108-I112 PolarHBondContact O-N 2.9Å
109	A	91.8	Very high	89.9	Confident	2 Å²	2	64.9 Å²	64.9	2%	0.017	34%	0.339	C	S	.	.	H	α-helix	trans	-61.7	-42.8	176.4	0	0	0	0	0	111.4	D105 L106 I112 C113 I132 L133	D105-A109 WeakPolarHBondContact O-CB 3.29Å; D105-A109 PolarHBondContact O-N 3.21Å; L106-A109 PolarHBondContact O-N 2.91Å; A109-I112 PolarHBondContact O-N 3.3Å; A109-C113 PolarHBondContact O-N 2.85Å; A109-I132 HydrophobicContact CB-CG2 4.1Å; A109-L133 HydrophobicContact CB-CD1 4.06Å; A109-L133 HydrophobicContact CB-CD2 3.68Å; A109-L133 HydrophobicContact CB-CG 3.68Å
110	F	93.6	Very high	90.5	Very high	3 Å²	3	65 Å²	65	1%	0.013	34%	0.339	C	S	.	.	H	α-helix	trans	-55.1	-54.7	173.7	-175.5	-84.3	0	0	0	111.1	L106 I107 K108 I112 C113 D114 G119 L121 E159 F162	L106-F110 WeakPolarHBondContact O-CB 3.36Å; L106-F110 PolarHBondContact O-N 3.21Å; I107-F110 PolarHBondContact O-N 3.27Å; K108-F110 VanDerWaalsContact C-N 3.33Å; F110-I112 VanDerWaalsContact C-N 3.28Å; F110-I112 PolarHBondContact O-N 3.13Å; F110-C113 CarbonylContact O-C 3.56Å; F110-C113 WeakPolarHBondContact O-CA 3.45Å; F110-C113 PolarHBondContact O-N 3.31Å; F110-D114 HydrophobicContact CD1-CB 4.32Å; F110-D114 HydrophobicContact CE1-CB 4.02Å; F110-D114 PolarHBondContact O-N 2.98Å; F110-G119 WeakPolarHBondContact CZ-O 3.39Å; F110-L121 HydrophobicContact CD2-CD1 3.43Å; F110-L121 VanDerWaalsContact CD2-CD1 3.43Å; F110-L121 HydrophobicContact CD2-CD2 4.42Å; F110-L121 HydrophobicContact CD2-CG 3.74Å; F110-L121 HydrophobicContact CE2-CD1 3.7Å; F110-L121 HydrophobicContact CE2-CD2 4.27Å; F110-L121 HydrophobicContact CE2-CG 3.47Å; F110-L121 VanDerWaalsContact CE2-CG 3.47Å; F110-L121 HydrophobicContact CG-CD1 4.19Å; F110-L121 HydrophobicContact CG-CG 4.5Å; F110-L121 HydrophobicContact CZ-CD2 4.43Å; F110-L121 HydrophobicContact CZ-CG 4.02Å; F110-E159 HydrophobicContact CD1-CB 4.2Å; F110-E159 HydrophobicContact CD1-CG 4.17Å; F110-E159 HydrophobicContact CD2-CB 4.42Å; F110-E159 HydrophobicContact CE1-CB 3.93Å; F110-E159 HydrophobicContact CE1-CG 4.41Å; F110-E159 VanDerWaalsContact CE2-CA 3.45Å; F110-E159 HydrophobicContact CE2-CB 4.13Å; F110-E159 HydrophobicContact CG-CB 4.45Å; F110-E159 HydrophobicContact CG-CG 4.25Å; F110-E159 HydrophobicContact CZ-CB 3.89Å; F110-F162 HydrophobicContact CB-CD1 4Å; F110-F162 HydrophobicContact CB-CE1 4.06Å; F110-F162 HydrophobicContact CD2-CB 3.67Å; F110-F162 AromaticContact CD2-CD1 3.84Å; F110-F162 HydrophobicContact CD2-CD1 3.84Å; F110-F162 HydrophobicContact CD2-CD2 4.26Å; F110-F162 AromaticContact CD2-CG 3.67Å; F110-F162 HydrophobicContact CD2-CG 3.67Å; F110-F162 HydrophobicContact CE2-CB 3.96Å; F110-F162 HydrophobicContact CE2-CG 4.41Å; F110-F162 HydrophobicContact CG-CD1 4.37Å
111	R	94.5	Very high	91.1	Very high	168 Å²	168	60 Å²	60	63%	0.634	32%	0.317	S	S	*	.	H	α-helix	trans	-63.3	-28.9	-179.4	-70.4	175.8	-176	-167.1	-0.1	114.4	I107 K108 C113	I107-R111 VanDerWaalsContact O-CG 3.31Å; I107-R111 WeakPolarHBondContact O-CG 3.3Å; I107-R111 PolarHBondContact O-N 3.1Å; K108-R111 PolarHBondContact O-N 3.4Å; R111-C113 VanDerWaalsContact C-N 3.29Å
112	I	94.5	Very high	91.6	Very high	78 Å²	78	59.9 Å²	59.9	40%	0.4	32%	0.315	S	S	.	.	H	α-helix	trans	-70.9	-31.3	174.5	-69.6	164.1	0	0	0	110.8	K108 A109 F110 I132	K108-I112 HydrophobicContact CG-CD1 3.99Å; K108-I112 WeakPolarHBondContact O-CD1 3.44Å; K108-I112 VanDerWaalsContact O-CG1 3.24Å; K108-I112 WeakPolarHBondContact O-CG1 3.49Å; K108-I112 PolarHBondContact O-N 2.9Å; A109-I112 PolarHBondContact O-N 3.3Å; F110-I112 VanDerWaalsContact C-N 3.28Å; F110-I112 PolarHBondContact O-N 3.13Å; I112-I132 HydrophobicContact CB-CD1 4.23Å; I112-I132 HydrophobicContact CG2-CD1 3.63Å
113	C	93.5	Very high	91.9	Very high	1 Å²	1	61 Å²	61	1%	0.007	32%	0.32	C	S	.	.	H	α-helix	trans	-90	-27.1	-178.7	-75.1	0	0	0	0	113.8	A109 F110 R111 D115 L121 K125 A129 I132	A109-C113 PolarHBondContact O-N 2.85Å; F110-C113 CarbonylContact O-C 3.56Å; F110-C113 WeakPolarHBondContact O-CA 3.45Å; F110-C113 PolarHBondContact O-N 3.31Å; R111-C113 VanDerWaalsContact C-N 3.29Å; C113-D115 PolarHBondContact O-N 3.3Å; C113-L121 HydrophobicContact CB-CD1 4.29Å; C113-L121 HydrophobicContact CB-CD2 3.76Å; C113-K125 HydrophobicContact CB-CB 4.46Å; C113-K125 WeakPolarHBondContact O-CD 3.33Å; C113-A129 HydrophobicContact CB-CB 4.19Å; C113-A129 VanDerWaalsContact SG-CA 3.51Å; C113-A129 PolarHBondContact SG-N 2.93Å; C113-I132 VanDerWaalsContact SG-CD1 3.58Å
114	D	95.1	Very high	92.1	Very high	14 Å²	14	60.1 Å²	60.1	8%	0.075	33%	0.327	C	S	.	.			trans	-79.6	58.7	171.1	-171.6	29.9	0	0	0	110.4	F110 D116 D117 S118 G119 L121	F110-D114 HydrophobicContact CD1-CB 4.32Å; F110-D114 HydrophobicContact CE1-CB 4.02Å; F110-D114 PolarHBondContact O-N 2.98Å; D114-D116 PolarHBondContact O-N 3.35Å; D114-D116 VanDerWaalsContact OD1-OD1 3.1Å; D114-D117 PolarHBondContact O-N 2.93Å; D114-S118 PolarHBondContact OD1-N 3.31Å; D114-S118 PolarHBondContact OD1-OG 2.97Å; D114-G119 PolarHBondContact OD1-N 2.97Å; D114-G119 WeakPolarHBondContact OD2-CA 3.43Å; D114-G119 PolarHBondContact OD2-N 3.48Å; D114-L121 HydrophobicContact CB-CD2 3.83Å
115	D	92.9	Very high	92.4	Very high	105 Å²	105	59.1 Å²	59.1	56%	0.561	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-9.2	-174.2	56.6	-2.7	0	0	0	115	C113 K125	C113-D115 PolarHBondContact O-N 3.3Å; D115-K125 WeakPolarHBondContact OD1-CE 3.44Å; D115-K125 IonicContact OD1-NZ 2.94Å; D115-K125 PolarHBondContact OD1-NZ 2.8Å
116	D	93.9	Very high	92.5	Very high	98 Å²	98	55.2 Å²	55.2	52%	0.524	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	7.1	174.5	56.2	-3.6	0	0	0	113.2	D114 S118 K125	D114-D116 PolarHBondContact O-N 3.35Å; D114-D116 VanDerWaalsContact OD1-OD1 3.1Å; D116-S118 PolarHBondContact O-N 3.49Å; D116-S118 VanDerWaalsContact O-N 3.15Å; D116-S118 WeakPolarHBondContact OD1-CB 3.26Å; D116-S118 PolarHBondContact OD1-OG 2.95Å; D116-K125 IonicContact OD1-NZ 2.69Å; D116-K125 PolarHBondContact OD1-NZ 3.34Å; D116-K125 IonicContact OD2-NZ 2.96Å; D116-K125 PolarHBondContact OD2-NZ 3.43Å
117	D	91.8	Very high	92.5	Very high	150 Å²	150	58.6 Å²	58.6	80%	0.802	31%	0.307	S	S	*	.			trans	51.5	33.3	-178.2	-65.9	-54.3	0	0	0	112.8	D114 G119	D114-D117 PolarHBondContact O-N 2.93Å; D117-G119 PolarHBondContact O-N 3.48Å
118	S	93.3	Very high	92.5	Very high	55 Å²	55	62.8 Å²	62.8	39%	0.385	32%	0.321	S	S	.	.			trans	-71.6	-19.1	179.4	70.7	0	0	0	0	112.3	D114 D116 K120	D114-S118 PolarHBondContact OD1-N 3.31Å; D114-S118 PolarHBondContact OD1-OG 2.97Å; D116-S118 PolarHBondContact O-N 3.49Å; D116-S118 VanDerWaalsContact O-N 3.15Å; D116-S118 WeakPolarHBondContact OD1-CB 3.26Å; D116-S118 PolarHBondContact OD1-OG 2.95Å; S118-K120 PolarHBondContact OG-N 2.8Å; S118-K120 VanDerWaalsContact OG-N 3.11Å; S118-K120 PolarHBondContact OG-O 3.05Å
119	G	93.4	Very high	92.5	Very high	36 Å²	36	56.6 Å²	56.6	37%	0.371	29%	0.294	S	S	.	.	S	Bend	trans	76.7	11.3	-170.7	0	0	0	0	0	112.9	F110 D114 D117	F110-G119 WeakPolarHBondContact CZ-O 3.39Å; D114-G119 PolarHBondContact OD1-N 2.97Å; D114-G119 WeakPolarHBondContact OD2-CA 3.43Å; D114-G119 PolarHBondContact OD2-N 3.48Å; D117-G119 PolarHBondContact O-N 3.48Å
120	K	93.4	Very high	92.3	Very high	61 Å²	61	56.6 Å²	56.6	27%	0.265	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	154.7	-172.5	-58.3	-177.9	-177.4	-176.9	0	112.7	S118 D154 E156 V157	S118-K120 PolarHBondContact OG-N 2.8Å; S118-K120 VanDerWaalsContact OG-N 3.11Å; S118-K120 PolarHBondContact OG-O 3.05Å; K120-D154 IonicContact NZ-OD2 3.31Å; K120-D154 PolarHBondContact NZ-OD2 2.86Å; K120-E156 HydrophobicContact CB-CB 4.01Å; K120-E156 HydrophobicContact CD-CB 3.84Å; K120-E156 HydrophobicContact CD-CG 4.44Å; K120-E156 WeakPolarHBondContact CD-OE2 3.41Å; K120-E156 IonicContact NZ-OE2 2.63Å; K120-E156 PolarHBondContact NZ-OE2 3.28Å; K120-V157 CarbonylContact C-O 3.57Å; K120-V157 VanDerWaalsContact CA-O 3.29Å; K120-V157 WeakPolarHBondContact CA-O 3.45Å
121	L	92.3	Very high	92.1	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	127.3	176.1	-55.9	-178.1	0	0	0	110.5	F110 C113 D114 K125 L126 A129 E156 V157 F162	F110-L121 HydrophobicContact CD2-CD1 3.43Å; F110-L121 VanDerWaalsContact CD2-CD1 3.43Å; F110-L121 HydrophobicContact CD2-CD2 4.42Å; F110-L121 HydrophobicContact CD2-CG 3.74Å; F110-L121 HydrophobicContact CE2-CD1 3.7Å; F110-L121 HydrophobicContact CE2-CD2 4.27Å; F110-L121 HydrophobicContact CE2-CG 3.47Å; F110-L121 VanDerWaalsContact CE2-CG 3.47Å; F110-L121 HydrophobicContact CG-CD1 4.19Å; F110-L121 HydrophobicContact CG-CG 4.5Å; F110-L121 HydrophobicContact CZ-CD2 4.43Å; F110-L121 HydrophobicContact CZ-CG 4.02Å; C113-L121 HydrophobicContact CB-CD1 4.29Å; C113-L121 HydrophobicContact CB-CD2 3.76Å; D114-L121 HydrophobicContact CB-CD2 3.83Å; L121-K125 HydrophobicContact CB-CB 3.98Å; L121-K125 HydrophobicContact CD2-CB 3.95Å; L121-K125 HydrophobicContact CD2-CD 4.33Å; L121-K125 HydrophobicContact CG-CB 4.46Å; L121-L126 HydrophobicContact CB-CB 4.45Å; L121-L126 HydrophobicContact CD1-CD1 4.41Å; L121-A129 HydrophobicContact CD1-CB 4.18Å; L121-E156 CarbonylContact O-C 3.58Å; L121-E156 WeakPolarHBondContact O-CA 3.33Å; L121-V157 PolarHBondContact N-O 3.03Å; L121-V157 PolarHBondContact O-N 2.83Å; L121-F162 HydrophobicContact CD1-CD2 4.12Å; L121-F162 HydrophobicContact CD1-CE2 4.33Å
122	T	90.9	Very high	91.8	Very high	48 Å²	48	58.2 Å²	58.2	29%	0.294	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	164.9	162.9	60.4	0	0	0	0	110.6	S124 K125 L126 E156	T122-S124 PolarHBondContact O-N 3.06Å; T122-S124 VanDerWaalsContact O-N 3.13Å; T122-S124 PolarHBondContact OG1-OG 2.88Å; T122-K125 PolarHBondContact O-N 2.78Å; T122-L126 WeakPolarHBondContact O-CB 3.4Å; T122-L126 PolarHBondContact O-N 2.7Å; T122-E156 HydrophobicContact CG2-CG 4.5Å
123	L	89.1	Confident	91.4	Very high	58 Å²	58	56.6 Å²	56.6	30%	0.304	30%	0.302	S	S	.	.	H	α-helix	trans	-48.5	-42.1	176.3	175.3	69.3	0	0	0	113.2	L126 K127 L142 I146	L123-L126 PolarHBondContact O-N 3.1Å; L123-K127 PolarHBondContact O-N 3.39Å; L123-L142 HydrophobicContact CD1-CB 3.99Å; L123-I146 HydrophobicContact CB-CD1 3.89Å; L123-I146 HydrophobicContact CD1-CD1 3.37Å; L123-I146 HydrophobicContact CG-CD1 4.21Å
124	S	91.3	Very high	91	Very high	87 Å²	87	59.4 Å²	59.4	61%	0.608	33%	0.331	S	S	*	.	H	α-helix	trans	-68.1	-40	-179.9	58.9	0	0	0	0	112.4	T122 R128	T122-S124 PolarHBondContact O-N 3.06Å; T122-S124 VanDerWaalsContact O-N 3.13Å; T122-S124 PolarHBondContact OG1-OG 2.88Å; S124-R128 PolarHBondContact O-N 3.42Å
125	K	92.4	Very high	90.4	Very high	31 Å²	31	61.2 Å²	61.2	14%	0.135	34%	0.339	C	S	.	.	H	α-helix	trans	-68.8	-38.5	174.4	-69.9	-178.9	167.3	-165.9	0	111.5	C113 D115 D116 L121 T122 R128 A129	C113-K125 HydrophobicContact CB-CB 4.46Å; C113-K125 WeakPolarHBondContact O-CD 3.33Å; D115-K125 WeakPolarHBondContact OD1-CE 3.44Å; D115-K125 IonicContact OD1-NZ 2.94Å; D115-K125 PolarHBondContact OD1-NZ 2.8Å; D116-K125 IonicContact OD1-NZ 2.69Å; D116-K125 PolarHBondContact OD1-NZ 3.34Å; D116-K125 IonicContact OD2-NZ 2.96Å; D116-K125 PolarHBondContact OD2-NZ 3.43Å; L121-K125 HydrophobicContact CB-CB 3.98Å; L121-K125 HydrophobicContact CD2-CB 3.95Å; L121-K125 HydrophobicContact CD2-CD 4.33Å; L121-K125 HydrophobicContact CG-CB 4.46Å; T122-K125 PolarHBondContact O-N 2.78Å; K125-R128 WeakPolarHBondContact O-CB 3.41Å; K125-R128 PolarHBondContact O-N 2.96Å; K125-A129 PolarHBondContact O-N 3.3Å
126	L	90.5	Very high	89.9	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-61.6	-45	175.9	-176.6	67.3	0	0	0	111.7	L121 T122 L123 R128 A129 A130 L142 I146 V157 F162 I165 M166	L121-L126 HydrophobicContact CB-CB 4.45Å; L121-L126 HydrophobicContact CD1-CD1 4.41Å; T122-L126 WeakPolarHBondContact O-CB 3.4Å; T122-L126 PolarHBondContact O-N 2.7Å; L123-L126 PolarHBondContact O-N 3.1Å; L126-R128 VanDerWaalsContact C-N 3.3Å; L126-R128 PolarHBondContact O-N 3.45Å; L126-A129 WeakPolarHBondContact O-CB 3.29Å; L126-A129 PolarHBondContact O-N 3.37Å; L126-A129 VanDerWaalsContact O-N 3.1Å; L126-A130 PolarHBondContact O-N 3.47Å; L126-L142 HydrophobicContact CD2-CD2 3.86Å; L126-L142 HydrophobicContact CG-CD2 3.94Å; L126-I146 HydrophobicContact CD2-CD1 3.63Å; L126-I146 HydrophobicContact CD2-CG1 3.5Å; L126-I146 VanDerWaalsContact CD2-CG1 3.5Å; L126-V157 HydrophobicContact CD2-CG2 4.32Å; L126-F162 HydrophobicContact CD1-CD2 3.33Å; L126-F162 HydrophobicContact CD1-CE2 3.59Å; L126-I165 HydrophobicContact CD2-CD1 4.49Å; L126-M166 HydrophobicContact CD1-CE 4.45Å
127	K	90.6	Very high	89.3	Confident	72 Å²	72	59.8 Å²	59.8	31%	0.313	33%	0.331	S	S	.	.	H	α-helix	trans	-58.1	-43	174.4	-174.4	179.6	-171.7	164.8	0	112	L123 A129 A130 Q131 D139 L142	L123-K127 PolarHBondContact O-N 3.39Å; K127-A129 VanDerWaalsContact C-N 3.32Å; K127-A129 PolarHBondContact O-N 2.93Å; K127-A130 PolarHBondContact O-N 2.98Å; K127-Q131 WeakPolarHBondContact O-CG 3.29Å; K127-Q131 PolarHBondContact O-N 2.78Å; K127-Q131 VanDerWaalsContact O-N 3.08Å; K127-D139 WeakPolarHBondContact CD-OD1 3.33Å; K127-D139 WeakPolarHBondContact CE-OD1 3.17Å; K127-D139 IonicContact NZ-OD1 2.68Å; K127-D139 PolarHBondContact NZ-OD1 3.39Å; K127-D139 IonicContact NZ-OD2 2.85Å; K127-D139 PolarHBondContact NZ-OD2 3.03Å; K127-L142 HydrophobicContact CB-CD1 3.7Å; K127-L142 HydrophobicContact CG-CD1 3.95Å
128	R	91.9	Very high	89.1	Confident	122 Å²	122	55.3 Å²	55.3	46%	0.46	31%	0.31	S	S	.	.	H	α-helix	trans	-63.3	-39.2	175.6	-172.3	-178.6	179.4	-168.5	-1.6	111.6	S124 K125 L126 Q131 I132	S124-R128 PolarHBondContact O-N 3.42Å; K125-R128 WeakPolarHBondContact O-CB 3.41Å; K125-R128 PolarHBondContact O-N 2.96Å; L126-R128 VanDerWaalsContact C-N 3.3Å; L126-R128 PolarHBondContact O-N 3.45Å; R128-Q131 WeakPolarHBondContact O-CB 3.48Å; R128-Q131 PolarHBondContact O-N 2.8Å; R128-I132 HydrophobicContact CG-CD1 4.27Å; R128-I132 WeakPolarHBondContact O-CG1 3.41Å; R128-I132 PolarHBondContact O-N 3.15Å
129	A	91.1	Very high	88.8	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-63	-45	177.1	0	0	0	0	0	111.4	C113 L121 K125 L126 K127 Q131 I132 L133 F162	C113-A129 HydrophobicContact CB-CB 4.19Å; C113-A129 VanDerWaalsContact SG-CA 3.51Å; C113-A129 PolarHBondContact SG-N 2.93Å; L121-A129 HydrophobicContact CD1-CB 4.18Å; K125-A129 PolarHBondContact O-N 3.3Å; L126-A129 WeakPolarHBondContact O-CB 3.29Å; L126-A129 PolarHBondContact O-N 3.37Å; L126-A129 VanDerWaalsContact O-N 3.1Å; K127-A129 VanDerWaalsContact C-N 3.32Å; K127-A129 PolarHBondContact O-N 2.93Å; A129-Q131 VanDerWaalsContact C-N 3.31Å; A129-Q131 PolarHBondContact O-N 2.89Å; A129-I132 PolarHBondContact O-N 2.64Å; A129-L133 WeakPolarHBondContact O-CG 3.44Å; A129-L133 PolarHBondContact O-N 2.85Å; A129-L133 VanDerWaalsContact O-N 3.09Å; A129-F162 HydrophobicContact CB-CE2 3.76Å; A129-F162 HydrophobicContact CB-CZ 3.93Å
130	A	88	Confident	88.5	Confident	2 Å²	2	60.5 Å²	60.5	2%	0.017	32%	0.32	C	S	.	.	H	α-helix	trans	-57.5	-42.6	174.1	0	0	0	0	0	112	L126 K127 L133 G134 E135 I137 M166	L126-A130 PolarHBondContact O-N 3.47Å; K127-A130 PolarHBondContact O-N 2.98Å; A130-L133 CarbonylContact O-C 3.57Å; A130-L133 WeakPolarHBondContact O-CB 3.43Å; A130-L133 PolarHBondContact O-N 2.7Å; A130-G134 PolarHBondContact O-N 2.77Å; A130-E135 PolarHBondContact O-N 3.06Å; A130-I137 HydrophobicContact CB-CD1 4.02Å; A130-I137 HydrophobicContact CB-CG1 4.39Å; A130-M166 HydrophobicContact CB-CE 4.16Å
131	Q	89	Confident	88.1	Confident	126 Å²	126	60.6 Å²	60.6	59%	0.589	32%	0.322	S	S	*	.	H	α-helix	trans	-65.2	-38.8	176.4	-70.8	176.3	-23.6	0	0	113.4	K127 R128 A129 L133 G134	K127-Q131 WeakPolarHBondContact O-CG 3.29Å; K127-Q131 PolarHBondContact O-N 2.78Å; K127-Q131 VanDerWaalsContact O-N 3.08Å; R128-Q131 WeakPolarHBondContact O-CB 3.48Å; R128-Q131 PolarHBondContact O-N 2.8Å; A129-Q131 VanDerWaalsContact C-N 3.31Å; A129-Q131 PolarHBondContact O-N 2.89Å; Q131-L133 PolarHBondContact O-N 3.15Å; Q131-G134 PolarHBondContact O-N 3.31Å
132	I	88	Confident	87.8	Confident	78 Å²	78	60.6 Å²	60.6	40%	0.4	32%	0.322	S	S	.	.	H	α-helix	trans	-62.3	-36.4	175.2	-70.9	166.9	0	0	0	110.7	A109 I112 C113 R128 A129 G134	A109-I132 HydrophobicContact CB-CG2 4.1Å; I112-I132 HydrophobicContact CB-CD1 4.23Å; I112-I132 HydrophobicContact CG2-CD1 3.63Å; C113-I132 VanDerWaalsContact SG-CD1 3.58Å; R128-I132 HydrophobicContact CG-CD1 4.27Å; R128-I132 WeakPolarHBondContact O-CG1 3.41Å; R128-I132 PolarHBondContact O-N 3.15Å; A129-I132 PolarHBondContact O-N 2.64Å; I132-G134 PolarHBondContact O-N 3.21Å
133	L	87.3	Confident	87.6	Confident	44 Å²	44	61.8 Å²	61.8	23%	0.23	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-7.3	175.3	-64.1	163.8	0	0	0	112.9	D105 L106 A109 A129 A130 Q131 E135 F162 M166	D105-L133 HydrophobicContact CB-CD2 4.5Å; L106-L133 HydrophobicContact CD2-CD1 3.32Å; L106-L133 HydrophobicContact CD2-CD2 3.87Å; L106-L133 HydrophobicContact CD2-CG 4.22Å; A109-L133 HydrophobicContact CB-CD1 4.06Å; A109-L133 HydrophobicContact CB-CD2 3.68Å; A109-L133 HydrophobicContact CB-CG 3.68Å; A129-L133 WeakPolarHBondContact O-CG 3.44Å; A129-L133 PolarHBondContact O-N 2.85Å; A129-L133 VanDerWaalsContact O-N 3.09Å; A130-L133 CarbonylContact O-C 3.57Å; A130-L133 WeakPolarHBondContact O-CB 3.43Å; A130-L133 PolarHBondContact O-N 2.7Å; Q131-L133 PolarHBondContact O-N 3.15Å; L133-E135 VanDerWaalsContact C-N 3.29Å; L133-E135 HydrophobicContact CB-CG 4.38Å; L133-F162 HydrophobicContact CD1-CZ 3.93Å; L133-M166 HydrophobicContact CD1-CE 4.16Å; L133-M166 HydrophobicContact CD1-SD 4.32Å
134	G	85.1	Confident	87.4	Confident	60 Å²	60	64.7 Å²	64.7	62%	0.619	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.6	17.3	-177.5	0	0	0	0	0	113.8	A130 Q131 I132	A130-G134 PolarHBondContact O-N 2.77Å; Q131-G134 PolarHBondContact O-N 3.31Å; I132-G134 PolarHBondContact O-N 3.21Å
135	E	83	Confident	87	Confident	53 Å²	53	61.6 Å²	61.6	25%	0.248	31%	0.312	C	S	.	.			trans	-91.1	129.9	177.5	-64.9	-60.7	162.2	0	0	111	R16 A130 L133 I137 I171	R16-E135 IonicContact NH1-OE2 3.83Å; R16-E135 PolarHBondContact NH1-OE2 3.31Å; A130-E135 PolarHBondContact O-N 3.06Å; L133-E135 VanDerWaalsContact C-N 3.29Å; L133-E135 HydrophobicContact CB-CG 4.38Å; E135-I137 HydrophobicContact CB-CD1 4.11Å; E135-I137 HydrophobicContact CB-CG1 3.98Å; E135-I137 PolarHBondContact O-N 3.01Å; E135-I171 HydrophobicContact CG-CD1 3.89Å; E135-I171 HydrophobicContact CG-CG1 4.24Å
136	D	80.9	Confident	86.7	Confident	153 Å²	153	60.2 Å²	60.2	82%	0.818	31%	0.306	S	S	*	.			trans	-95.5	90	176	-169.5	22.4	0	0	0	108.5
137	I	82.5	Confident	86.5	Confident	20 Å²	20	65.5 Å²	65.5	10%	0.103	33%	0.334	C	S	.	.			trans	-113.8	131.4	-179.8	-48	180	0	0	0	107.8	A130 E135 E141 L142 T169	A130-I137 HydrophobicContact CB-CD1 4.02Å; A130-I137 HydrophobicContact CB-CG1 4.39Å; E135-I137 HydrophobicContact CB-CD1 4.11Å; E135-I137 HydrophobicContact CB-CG1 3.98Å; E135-I137 PolarHBondContact O-N 3.01Å; I137-E141 HydrophobicContact CG2-CB 3.62Å; I137-L142 HydrophobicContact CB-CD2 4.33Å; I137-L142 HydrophobicContact CB-CG 4.15Å; I137-L142 HydrophobicContact CD1-CD2 4.38Å; I137-L142 HydrophobicContact CG2-CD2 3.97Å; I137-L142 HydrophobicContact CG2-CG 3.72Å; I137-T169 HydrophobicContact CD1-CG2 4.45Å
138	T	86.9	Confident	86.2	Confident	56 Å²	56	66 Å²	66	34%	0.344	34%	0.338	S	S	.	.			trans	-74.9	162.6	179.5	82.3	0	0	0	0	111.9	E140 E141 L142	T138-E140 VanDerWaalsContact CB-OE2 3.26Å; T138-E140 WeakPolarHBondContact CB-OE2 3.26Å; T138-E140 PolarHBondContact O-N 3.23Å; T138-E140 PolarHBondContact OG1-OE2 2.65Å; T138-E141 PolarHBondContact N-OE2 2.99Å; T138-E141 PolarHBondContact O-N 2.91Å; T138-E141 PolarHBondContact OG1-N 3.12Å; T138-L142 WeakPolarHBondContact O-CB 3.49Å; T138-L142 WeakPolarHBondContact O-CG 3.28Å; T138-L142 PolarHBondContact O-N 2.91Å
139	D	86.9	Confident	85.8	Confident	71 Å²	71	60.4 Å²	60.4	38%	0.38	32%	0.318	S	S	.	.	H	α-helix	trans	-64.6	-34.1	179	-68.3	-8.4	0	0	0	111.3	K127 Q143	K127-D139 WeakPolarHBondContact CD-OD1 3.33Å; K127-D139 WeakPolarHBondContact CE-OD1 3.17Å; K127-D139 IonicContact NZ-OD1 2.68Å; K127-D139 PolarHBondContact NZ-OD1 3.39Å; K127-D139 IonicContact NZ-OD2 2.85Å; K127-D139 PolarHBondContact NZ-OD2 3.03Å; D139-Q143 VanDerWaalsContact O-CB 3.31Å; D139-Q143 WeakPolarHBondContact O-CB 3.47Å; D139-Q143 PolarHBondContact O-N 2.93Å
140	E	87.9	Confident	85.5	Confident	129 Å²	129	61.5 Å²	61.5	60%	0.603	32%	0.324	S	S	*	.	H	α-helix	trans	-67.4	-45.6	174.6	-55.8	77.9	-169	0	0	111.5	T138 Q143 E144	T138-E140 VanDerWaalsContact CB-OE2 3.26Å; T138-E140 WeakPolarHBondContact CB-OE2 3.26Å; T138-E140 PolarHBondContact O-N 3.23Å; T138-E140 PolarHBondContact OG1-OE2 2.65Å; E140-Q143 PolarHBondContact O-N 3.18Å; E140-E144 WeakPolarHBondContact O-CG 3.48Å; E140-E144 PolarHBondContact O-N 3.3Å
141	E	84.4	Confident	85	Confident	63 Å²	63	69.1 Å²	69.1	29%	0.294	36%	0.356	S	S	.	.	H	α-helix	trans	-61.7	-44.2	176.1	-74	172.6	159.3	0	0	110.3	K14 I137 T138 E144 M145	K14-E141 IonicContact NZ-OE1 3.24Å; K14-E141 PolarHBondContact NZ-OE1 3.37Å; I137-E141 HydrophobicContact CG2-CB 3.62Å; T138-E141 PolarHBondContact N-OE2 2.99Å; T138-E141 PolarHBondContact O-N 2.91Å; T138-E141 PolarHBondContact OG1-N 3.12Å; E141-E144 PolarHBondContact O-N 3.04Å; E141-M145 WeakPolarHBondContact O-CG 3.5Å; E141-M145 PolarHBondContact O-N 3.49Å; E141-M145 VanDerWaalsContact O-N 3.09Å
142	L	85.3	Confident	84.7	Confident	0 Å²	0	68.3 Å²	68.3	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-62.4	-42.2	174.9	-77.6	173.1	0	0	0	112.8	L123 L126 K127 I137 T138 M145 I146	L123-L142 HydrophobicContact CD1-CB 3.99Å; L126-L142 HydrophobicContact CD2-CD2 3.86Å; L126-L142 HydrophobicContact CG-CD2 3.94Å; K127-L142 HydrophobicContact CB-CD1 3.7Å; K127-L142 HydrophobicContact CG-CD1 3.95Å; I137-L142 HydrophobicContact CB-CD2 4.33Å; I137-L142 HydrophobicContact CB-CG 4.15Å; I137-L142 HydrophobicContact CD1-CD2 4.38Å; I137-L142 HydrophobicContact CG2-CD2 3.97Å; I137-L142 HydrophobicContact CG2-CG 3.72Å; T138-L142 WeakPolarHBondContact O-CB 3.49Å; T138-L142 WeakPolarHBondContact O-CG 3.28Å; T138-L142 PolarHBondContact O-N 2.91Å; L142-M145 PolarHBondContact O-N 3.18Å; L142-I146 WeakPolarHBondContact O-CG1 3.43Å; L142-I146 PolarHBondContact O-N 2.9Å
143	Q	87.1	Confident	84.3	Confident	72 Å²	72	67.5 Å²	67.5	34%	0.336	37%	0.367	S	S	.	.	H	α-helix	trans	-64.9	-43.7	178.6	-172.5	63.7	58.2	0	0	111.4	D139 E140 M145 I146 D147	D139-Q143 VanDerWaalsContact O-CB 3.31Å; D139-Q143 WeakPolarHBondContact O-CB 3.47Å; D139-Q143 PolarHBondContact O-N 2.93Å; E140-Q143 PolarHBondContact O-N 3.18Å; Q143-M145 PolarHBondContact O-N 3.32Å; Q143-I146 PolarHBondContact O-N 3.25Å; Q143-D147 PolarHBondContact NE2-OD1 3Å; Q143-D147 WeakPolarHBondContact O-CB 3.32Å; Q143-D147 PolarHBondContact O-N 2.9Å
144	E	86.2	Confident	84.3	Confident	119 Å²	119	68.2 Å²	68.2	56%	0.556	37%	0.371	S	S	*	.	H	α-helix	trans	-59.4	-37.5	175.1	-74.2	-178.6	-175	0	0	111.7	E140 E141 E148	E140-E144 WeakPolarHBondContact O-CG 3.48Å; E140-E144 PolarHBondContact O-N 3.3Å; E141-E144 PolarHBondContact O-N 3.04Å; E144-E148 PolarHBondContact O-N 3.38Å
145	M	82.1	Confident	84.3	Confident	23 Å²	23	67.3 Å²	67.3	11%	0.113	36%	0.362	C	S	.	.	H	α-helix	trans	-70.2	-39.3	176.9	-68.7	178.4	89.6	0	0	113	E141 L142 Q143 E148 A149 I165 T169	E141-M145 WeakPolarHBondContact O-CG 3.5Å; E141-M145 PolarHBondContact O-N 3.49Å; E141-M145 VanDerWaalsContact O-N 3.09Å; L142-M145 PolarHBondContact O-N 3.18Å; Q143-M145 PolarHBondContact O-N 3.32Å; M145-E148 PolarHBondContact O-N 3.18Å; M145-A149 VanDerWaalsContact O-CB 3.28Å; M145-A149 WeakPolarHBondContact O-CB 3.23Å; M145-A149 PolarHBondContact O-N 2.98Å; M145-I165 HydrophobicContact CB-CD1 4.27Å; M145-I165 HydrophobicContact CB-CG1 4.11Å; M145-I165 HydrophobicContact CB-CG2 4.04Å; M145-I165 HydrophobicContact CE-CB 3.89Å; M145-I165 HydrophobicContact CE-CG2 3.2Å; M145-I165 WeakPolarHBondContact CE-O 3.11Å; M145-I165 HydrophobicContact CG-CG2 4.5Å; M145-I165 HydrophobicContact SD-CG2 3.9Å; M145-T169 HydrophobicContact CE-CG2 3.24Å; M145-T169 HydrophobicContact SD-CG2 3.55Å; M145-T169 VanDerWaalsContact SD-CG2 3.55Å
146	I	85.6	Confident	84.6	Confident	2 Å²	2	67.6 Å²	67.6	1%	0.01	36%	0.363	C	S	.	.	H	α-helix	trans	-62	-51	172.3	-68	164.4	0	0	0	109.2	L123 L126 L142 Q143 E148 A149 D150 V157	L123-I146 HydrophobicContact CB-CD1 3.89Å; L123-I146 HydrophobicContact CD1-CD1 3.37Å; L123-I146 HydrophobicContact CG-CD1 4.21Å; L126-I146 HydrophobicContact CD2-CD1 3.63Å; L126-I146 HydrophobicContact CD2-CG1 3.5Å; L126-I146 VanDerWaalsContact CD2-CG1 3.5Å; L142-I146 WeakPolarHBondContact O-CG1 3.43Å; L142-I146 PolarHBondContact O-N 2.9Å; Q143-I146 PolarHBondContact O-N 3.25Å; I146-E148 PolarHBondContact O-N 3.4Å; I146-E148 VanDerWaalsContact O-N 3.14Å; I146-A149 PolarHBondContact O-N 3.36Å; I146-D150 HydrophobicContact CG2-CB 4.08Å; I146-D150 WeakPolarHBondContact O-CB 3.5Å; I146-D150 PolarHBondContact O-N 3.44Å; I146-V157 HydrophobicContact CB-CG2 4.39Å; I146-V157 HydrophobicContact CG1-CG2 3.7Å; I146-V157 HydrophobicContact CG2-CG2 4.22Å
147	D	86.4	Confident	85.1	Confident	110 Å²	110	60.3 Å²	60.3	59%	0.588	32%	0.324	S	S	*	.	H	α-helix	trans	-59.4	-30.2	-179.4	-66.7	-7.5	0	0	0	112.1	Q143	Q143-D147 PolarHBondContact NE2-OD1 3Å; Q143-D147 WeakPolarHBondContact O-CB 3.32Å; Q143-D147 PolarHBondContact O-N 2.9Å
148	E	84.9	Confident	85.6	Confident	83 Å²	83	60.6 Å²	60.6	39%	0.388	33%	0.327	S	S	.	.	H	α-helix	trans	-78.7	-31.8	174.2	-151.2	-168	161.3	0	0	112.8	E144 M145 I146 K151 W164 K168	E144-E148 PolarHBondContact O-N 3.38Å; M145-E148 PolarHBondContact O-N 3.18Å; I146-E148 PolarHBondContact O-N 3.4Å; I146-E148 VanDerWaalsContact O-N 3.14Å; E148-K151 WeakPolarHBondContact O-CE 3.44Å; E148-K151 PolarHBondContact O-NZ 3.36Å; E148-W164 HydrophobicContact CB-CH2 4.06Å; E148-W164 HydrophobicContact CB-CZ3 4.18Å; E148-W164 VanDerWaalsContact CD-CH2 3.42Å; E148-W164 HydrophobicContact CG-CH2 3.72Å; E148-W164 HydrophobicContact CG-CZ3 4.35Å; E148-K168 IonicContact OE1-NZ 2.79Å; E148-K168 PolarHBondContact OE1-NZ 2.76Å; E148-K168 IonicContact OE2-NZ 2.89Å; E148-K168 PolarHBondContact OE2-NZ 3.08Å
149	A	83.1	Confident	85.8	Confident	4 Å²	4	60.3 Å²	60.3	3%	0.033	32%	0.322	C	S	.	.	H	α-helix	trans	-92.2	-43.3	-174.1	0	0	0	0	0	113.6	M145 I146 K151 E161 W164 I165	M145-A149 VanDerWaalsContact O-CB 3.28Å; M145-A149 WeakPolarHBondContact O-CB 3.23Å; M145-A149 PolarHBondContact O-N 2.98Å; I146-A149 PolarHBondContact O-N 3.36Å; A149-K151 WeakPolarHBondContact O-CG 3.45Å; A149-K151 PolarHBondContact O-N 2.97Å; A149-E161 HydrophobicContact CB-CB 4.06Å; A149-E161 HydrophobicContact CB-CG 4.3Å; A149-W164 HydrophobicContact CB-CE3 3.83Å; A149-W164 HydrophobicContact CB-CZ3 3.82Å; A149-I165 HydrophobicContact CB-CD1 3.61Å; A149-I165 HydrophobicContact CB-CG1 3.59Å
150	D	84.1	Confident	85.9	Confident	24 Å²	24	63.6 Å²	63.6	13%	0.128	34%	0.335	C	S	.	.			trans	-63.7	88.1	-178	178.1	7	0	0	0	110.6	I146 N152 G153 D154 G155	I146-D150 HydrophobicContact CG2-CB 4.08Å; I146-D150 WeakPolarHBondContact O-CB 3.5Å; I146-D150 PolarHBondContact O-N 3.44Å; D150-N152 PolarHBondContact OD1-N 3.48Å; D150-N152 PolarHBondContact OD1-OD1 2.98Å; D150-G153 VanDerWaalsContact OD1-CA 3.26Å; D150-G153 WeakPolarHBondContact OD1-CA 3.49Å; D150-G153 PolarHBondContact OD1-N 3.15Å; D150-G153 WeakPolarHBondContact OD2-CA 3.29Å; D150-D154 PolarHBondContact OD1-N 3.22Å; D150-D154 PolarHBondContact OD2-N 3.42Å; D150-G155 WeakPolarHBondContact OD2-CA 3.45Å; D150-G155 PolarHBondContact OD2-N 2.92Å
151	K	78.5	Confident	85.9	Confident	162 Å²	162	59.2 Å²	59.2	70%	0.704	32%	0.315	S	S	*	.	S	Bend	trans	-80.2	-21.6	-176.4	-62.9	-43.8	-174.9	-171.6	0	113.2	E148 A149	E148-K151 WeakPolarHBondContact O-CE 3.44Å; E148-K151 PolarHBondContact O-NZ 3.36Å; A149-K151 WeakPolarHBondContact O-CG 3.45Å; A149-K151 PolarHBondContact O-N 2.97Å
152	N	82.3	Confident	86.2	Confident	109 Å²	109	56.2 Å²	56.2	58%	0.583	30%	0.301	S	S	*	.	S	Bend	trans	-96.4	-11.9	-179.2	69.4	-4.1	0	0	0	112.5	D150 D154	D150-N152 PolarHBondContact OD1-N 3.48Å; D150-N152 PolarHBondContact OD1-OD1 2.98Å; N152-D154 PolarHBondContact ND2-OD2 3.02Å; N152-D154 PolarHBondContact OD1-N 3.25Å; N152-D154 PolarHBondContact OD1-OD1 2.94Å; N152-D154 PolarHBondContact OD1-OD2 3.27Å
153	G	79.7	Confident	86.3	Confident	60 Å²	60	57.4 Å²	57.4	62%	0.619	31%	0.307	S	S	*	.			trans	73.7	29.2	175.2	0	0	0	0	0	113.5	D150 G155	D150-G153 VanDerWaalsContact OD1-CA 3.26Å; D150-G153 WeakPolarHBondContact OD1-CA 3.49Å; D150-G153 PolarHBondContact OD1-N 3.15Å; D150-G153 WeakPolarHBondContact OD2-CA 3.29Å; G153-G155 VanDerWaalsContact C-N 3.35Å
154	D	86.9	Confident	86.2	Confident	60 Å²	60	57.5 Å²	57.5	32%	0.321	31%	0.305	S	S	.	.	S	Bend	trans	-86.3	-7.1	179.3	67.2	20.2	0	0	0	113.7	K120 D150 N152 E156	K120-D154 IonicContact NZ-OD2 3.31Å; K120-D154 PolarHBondContact NZ-OD2 2.86Å; D150-D154 PolarHBondContact OD1-N 3.22Å; D150-D154 PolarHBondContact OD2-N 3.42Å; N152-D154 PolarHBondContact ND2-OD2 3.02Å; N152-D154 PolarHBondContact OD1-N 3.25Å; N152-D154 PolarHBondContact OD1-OD1 2.94Å; N152-D154 PolarHBondContact OD1-OD2 3.27Å; D154-E156 VanDerWaalsContact C-N 3.26Å; D154-E156 WeakPolarHBondContact OD1-CA 3.49Å; D154-E156 VanDerWaalsContact OD1-CB 3.31Å; D154-E156 WeakPolarHBondContact OD1-CB 3.4Å; D154-E156 PolarHBondContact OD1-N 2.65Å
155	G	85.2	Confident	86.1	Confident	41 Å²	41	51.9 Å²	51.9	42%	0.423	28%	0.278	S	S	.	.	S	Bend	trans	77.1	11.3	-179	0	0	0	0	0	113.8	D150 G153	D150-G155 WeakPolarHBondContact OD2-CA 3.45Å; D150-G155 PolarHBondContact OD2-N 2.92Å; G153-G155 VanDerWaalsContact C-N 3.35Å
156	E	90.1	Very high	86.2	Confident	58 Å²	58	50.8 Å²	50.8	27%	0.271	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	161.2	178.5	-51	-176.4	121.1	0	0	110.4	K120 L121 T122 D154	K120-E156 HydrophobicContact CB-CB 4.01Å; K120-E156 HydrophobicContact CD-CB 3.84Å; K120-E156 HydrophobicContact CD-CG 4.44Å; K120-E156 WeakPolarHBondContact CD-OE2 3.41Å; K120-E156 IonicContact NZ-OE2 2.63Å; K120-E156 PolarHBondContact NZ-OE2 3.28Å; L121-E156 CarbonylContact O-C 3.58Å; L121-E156 WeakPolarHBondContact O-CA 3.33Å; T122-E156 HydrophobicContact CG2-CG 4.5Å; D154-E156 VanDerWaalsContact C-N 3.26Å; D154-E156 WeakPolarHBondContact OD1-CA 3.49Å; D154-E156 VanDerWaalsContact OD1-CB 3.31Å; D154-E156 WeakPolarHBondContact OD1-CB 3.4Å; D154-E156 PolarHBondContact OD1-N 2.65Å
157	V	91	Very high	85.8	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	116.2	-177.8	175.8	0	0	0	0	109.3	K120 L121 L126 I146 E161 F162 I165	K120-V157 CarbonylContact C-O 3.57Å; K120-V157 VanDerWaalsContact CA-O 3.29Å; K120-V157 WeakPolarHBondContact CA-O 3.45Å; L121-V157 PolarHBondContact N-O 3.03Å; L121-V157 PolarHBondContact O-N 2.83Å; L126-V157 HydrophobicContact CD2-CG2 4.32Å; I146-V157 HydrophobicContact CB-CG2 4.39Å; I146-V157 HydrophobicContact CG1-CG2 3.7Å; I146-V157 HydrophobicContact CG2-CG2 4.22Å; V157-E161 HydrophobicContact CG1-CB 3.69Å; V157-F162 HydrophobicContact CG1-CB 3.87Å; V157-F162 VanDerWaalsContact CG1-N 3.31Å; V157-I165 HydrophobicContact CG1-CD1 3.87Å; V157-I165 HydrophobicContact CG2-CD1 4.09Å
158	S	92.2	Very high	85.3	Confident	26 Å²	26	56.6 Å²	56.6	18%	0.182	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	167.7	171.7	59.9	0	0	0	0	112.9	E160 E161 F162	S158-E160 VanDerWaalsContact C-N 3.27Å; S158-E160 PolarHBondContact O-N 2.93Å; S158-E161 WeakPolarHBondContact CB-OE2 3.42Å; S158-E161 PolarHBondContact N-OE2 3.37Å; S158-E161 PolarHBondContact O-N 3.43Å; S158-E161 WeakPolarHBondContact OG-CB 3.35Å; S158-E161 VanDerWaalsContact OG-CG 3.3Å; S158-E161 WeakPolarHBondContact OG-CG 3.35Å; S158-E161 PolarHBondContact OG-N 2.86Å; S158-E161 PolarHBondContact OG-OE2 3.49Å; S158-F162 WeakPolarHBondContact O-CB 3.3Å; S158-F162 PolarHBondContact O-N 2.86Å
159	E	91.3	Very high	84.7	Confident	51 Å²	51	55.2 Å²	55.2	24%	0.238	29%	0.286	C	S	.	.	H	α-helix	trans	-57.3	-41.6	176	-170.3	-178.4	118.4	0	0	111.3	F110 F162 L163	F110-E159 HydrophobicContact CD1-CB 4.2Å; F110-E159 HydrophobicContact CD1-CG 4.17Å; F110-E159 HydrophobicContact CD2-CB 4.42Å; F110-E159 HydrophobicContact CE1-CB 3.93Å; F110-E159 HydrophobicContact CE1-CG 4.41Å; F110-E159 VanDerWaalsContact CE2-CA 3.45Å; F110-E159 HydrophobicContact CE2-CB 4.13Å; F110-E159 HydrophobicContact CG-CB 4.45Å; F110-E159 HydrophobicContact CG-CG 4.25Å; F110-E159 HydrophobicContact CZ-CB 3.89Å; E159-F162 WeakPolarHBondContact O-CB 3.47Å; E159-F162 PolarHBondContact O-N 2.93Å; E159-L163 VanDerWaalsContact O-CG 3.3Å; E159-L163 WeakPolarHBondContact O-CG 3.27Å; E159-L163 PolarHBondContact O-N 2.95Å
160	E	89.2	Confident	83.7	Confident	139 Å²	139	59.6 Å²	59.6	65%	0.65	31%	0.309	S	S	*	.	H	α-helix	trans	-65.4	-43.4	178.6	-68	79.7	-174.6	0	0	112.6	S158 L163 W164	S158-E160 VanDerWaalsContact C-N 3.27Å; S158-E160 PolarHBondContact O-N 2.93Å; E160-L163 PolarHBondContact O-N 2.91Å; E160-W164 WeakPolarHBondContact O-CB 3.4Å; E160-W164 PolarHBondContact O-N 3.06Å
161	E	89.1	Confident	82.5	Confident	37 Å²	37	59.6 Å²	59.6	17%	0.173	31%	0.309	C	S	.	.	H	α-helix	trans	-66.3	-39.9	176.5	-73.9	160.6	157.2	0	0	110.8	A149 V157 S158 W164 I165	A149-E161 HydrophobicContact CB-CB 4.06Å; A149-E161 HydrophobicContact CB-CG 4.3Å; V157-E161 HydrophobicContact CG1-CB 3.69Å; S158-E161 WeakPolarHBondContact CB-OE2 3.42Å; S158-E161 PolarHBondContact N-OE2 3.37Å; S158-E161 PolarHBondContact O-N 3.43Å; S158-E161 WeakPolarHBondContact OG-CB 3.35Å; S158-E161 VanDerWaalsContact OG-CG 3.3Å; S158-E161 WeakPolarHBondContact OG-CG 3.35Å; S158-E161 PolarHBondContact OG-N 2.86Å; S158-E161 PolarHBondContact OG-OE2 3.49Å; E161-W164 WeakPolarHBondContact O-CB 3.49Å; E161-W164 PolarHBondContact O-N 3.36Å; E161-I165 WeakPolarHBondContact O-CB 3.34Å; E161-I165 VanDerWaalsContact O-CG1 3.26Å; E161-I165 WeakPolarHBondContact O-CG1 3.3Å; E161-I165 PolarHBondContact O-N 3.25Å
162	F	89.2	Confident	81.2	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-59.2	-48.4	174.6	176.8	-102.7	0	0	0	111.9	L106 F110 L121 L126 A129 L133 V157 S158 E159 W164 I165 M166	L106-F162 HydrophobicContact CB-CE1 3.97Å; L106-F162 HydrophobicContact CD2-CE1 4.11Å; L106-F162 HydrophobicContact CD2-CZ 4.38Å; L106-F162 WeakPolarHBondContact O-CE1 3.38Å; F110-F162 HydrophobicContact CB-CD1 4Å; F110-F162 HydrophobicContact CB-CE1 4.06Å; F110-F162 HydrophobicContact CD2-CB 3.67Å; F110-F162 AromaticContact CD2-CD1 3.84Å; F110-F162 HydrophobicContact CD2-CD1 3.84Å; F110-F162 HydrophobicContact CD2-CD2 4.26Å; F110-F162 AromaticContact CD2-CG 3.67Å; F110-F162 HydrophobicContact CD2-CG 3.67Å; F110-F162 HydrophobicContact CE2-CB 3.96Å; F110-F162 HydrophobicContact CE2-CG 4.41Å; F110-F162 HydrophobicContact CG-CD1 4.37Å; L121-F162 HydrophobicContact CD1-CD2 4.12Å; L121-F162 HydrophobicContact CD1-CE2 4.33Å; L126-F162 HydrophobicContact CD1-CD2 3.33Å; L126-F162 HydrophobicContact CD1-CE2 3.59Å; A129-F162 HydrophobicContact CB-CE2 3.76Å; A129-F162 HydrophobicContact CB-CZ 3.93Å; L133-F162 HydrophobicContact CD1-CZ 3.93Å; V157-F162 HydrophobicContact CG1-CB 3.87Å; V157-F162 VanDerWaalsContact CG1-N 3.31Å; S158-F162 WeakPolarHBondContact O-CB 3.3Å; S158-F162 PolarHBondContact O-N 2.86Å; E159-F162 WeakPolarHBondContact O-CB 3.47Å; E159-F162 PolarHBondContact O-N 2.93Å; F162-W164 VanDerWaalsContact C-N 3.26Å; F162-W164 PolarHBondContact O-N 3.26Å; F162-I165 WeakPolarHBondContact O-CB 3.33Å; F162-I165 PolarHBondContact O-N 3.22Å; F162-M166 HydrophobicContact CD1-CG 4.42Å; F162-M166 HydrophobicContact CD2-CE 4.09Å; F162-M166 HydrophobicContact CD2-CG 4.26Å; F162-M166 HydrophobicContact CE1-CG 4.08Å; F162-M166 HydrophobicContact CE2-CE 3.24Å; F162-M166 HydrophobicContact CE2-CG 3.94Å; F162-M166 HydrophobicContact CE2-SD 4.42Å; F162-M166 HydrophobicContact CZ-CE 3.65Å; F162-M166 HydrophobicContact CZ-CG 3.84Å; F162-M166 HydrophobicContact CZ-SD 4.47Å; F162-M166 WeakPolarHBondContact O-CB 3.29Å; F162-M166 VanDerWaalsContact O-CG 3.26Å; F162-M166 WeakPolarHBondContact O-CG 3.42Å; F162-M166 PolarHBondContact O-N 3.24Å
163	L	88.2	Confident	81.1	Confident	26 Å²	26	52.9 Å²	52.9	14%	0.136	28%	0.277	C	S	.	.	H	α-helix	trans	-62	-37.1	176.5	-71	176.6	0	0	0	111.9	K103 L106 I107 E159 E160 R167	K103-L163 HydrophobicContact CG-CD2 4.26Å; L106-L163 HydrophobicContact CB-CD2 3.65Å; L106-L163 HydrophobicContact CD1-CD2 3.93Å; L106-L163 HydrophobicContact CG-CD2 4.46Å; I107-L163 HydrophobicContact CG1-CD1 4.4Å; I107-L163 HydrophobicContact CG1-CD2 4.24Å; E159-L163 VanDerWaalsContact O-CG 3.3Å; E159-L163 WeakPolarHBondContact O-CG 3.27Å; E159-L163 PolarHBondContact O-N 2.95Å; E160-L163 PolarHBondContact O-N 2.91Å; L163-R167 WeakPolarHBondContact O-CB 3.23Å; L163-R167 PolarHBondContact O-N 2.74Å
164	W	84.8	Confident	81.2	Confident	74 Å²	74	52.5 Å²	52.5	28%	0.28	26%	0.259	S	S	.	.	H	α-helix	trans	-68.7	-45.4	177.7	179.9	94.2	0	0	0	112.3	E148 A149 E160 E161 F162 R167 K168	E148-W164 HydrophobicContact CB-CH2 4.06Å; E148-W164 HydrophobicContact CB-CZ3 4.18Å; E148-W164 VanDerWaalsContact CD-CH2 3.42Å; E148-W164 HydrophobicContact CG-CH2 3.72Å; E148-W164 HydrophobicContact CG-CZ3 4.35Å; A149-W164 HydrophobicContact CB-CE3 3.83Å; A149-W164 HydrophobicContact CB-CZ3 3.82Å; E160-W164 WeakPolarHBondContact O-CB 3.4Å; E160-W164 PolarHBondContact O-N 3.06Å; E161-W164 WeakPolarHBondContact O-CB 3.49Å; E161-W164 PolarHBondContact O-N 3.36Å; F162-W164 VanDerWaalsContact C-N 3.26Å; F162-W164 PolarHBondContact O-N 3.26Å; W164-R167 PolarHBondContact O-N 3.07Å; W164-K168 HydrophobicContact CD2-CG 4.26Å; W164-K168 HydrophobicContact CE3-CG 4.37Å; W164-K168 HydrophobicContact CH2-CG 4.12Å; W164-K168 HydrophobicContact CZ2-CD 4.37Å; W164-K168 VanDerWaalsContact CZ2-CE 3.46Å; W164-K168 HydrophobicContact CZ2-CG 3.99Å; W164-K168 HydrophobicContact CZ3-CG 4.29Å; W164-K168 PolarHBondContact O-N 3.37Å
165	I	84.4	Confident	80.9	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-52.8	-57.6	172.3	-79.2	175.5	0	0	0	108.7	L126 M145 A149 V157 E161 F162 R167 K168 T169	L126-I165 HydrophobicContact CD2-CD1 4.49Å; M145-I165 HydrophobicContact CB-CD1 4.27Å; M145-I165 HydrophobicContact CB-CG1 4.11Å; M145-I165 HydrophobicContact CB-CG2 4.04Å; M145-I165 HydrophobicContact CE-CB 3.89Å; M145-I165 HydrophobicContact CE-CG2 3.2Å; M145-I165 WeakPolarHBondContact CE-O 3.11Å; M145-I165 HydrophobicContact CG-CG2 4.5Å; M145-I165 HydrophobicContact SD-CG2 3.9Å; A149-I165 HydrophobicContact CB-CD1 3.61Å; A149-I165 HydrophobicContact CB-CG1 3.59Å; V157-I165 HydrophobicContact CG1-CD1 3.87Å; V157-I165 HydrophobicContact CG2-CD1 4.09Å; E161-I165 WeakPolarHBondContact O-CB 3.34Å; E161-I165 VanDerWaalsContact O-CG1 3.26Å; E161-I165 WeakPolarHBondContact O-CG1 3.3Å; E161-I165 PolarHBondContact O-N 3.25Å; F162-I165 WeakPolarHBondContact O-CB 3.33Å; F162-I165 PolarHBondContact O-N 3.22Å; I165-R167 VanDerWaalsContact C-N 3.27Å; I165-R167 PolarHBondContact O-N 3.13Å; I165-K168 WeakPolarHBondContact O-CA 3.25Å; I165-K168 WeakPolarHBondContact O-CB 3.48Å; I165-K168 PolarHBondContact O-N 3.11Å; I165-T169 PolarHBondContact O-N 3.06Å; I165-T169 VanDerWaalsContact O-N 3.14Å; I165-T169 PolarHBondContact O-OG1 2.85Å
166	M	83.2	Confident	80.6	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-63.8	-33.1	-174.2	-67.6	-63.2	178	0	0	112.5	L106 L126 A130 L133 F162 T169 I171	L106-M166 HydrophobicContact CD1-CB 3.81Å; L106-M166 HydrophobicContact CD2-CB 3.78Å; L106-M166 HydrophobicContact CD2-CG 3.79Å; L106-M166 HydrophobicContact CG-CB 4.45Å; L126-M166 HydrophobicContact CD1-CE 4.45Å; A130-M166 HydrophobicContact CB-CE 4.16Å; L133-M166 HydrophobicContact CD1-CE 4.16Å; L133-M166 HydrophobicContact CD1-SD 4.32Å; F162-M166 HydrophobicContact CD1-CG 4.42Å; F162-M166 HydrophobicContact CD2-CE 4.09Å; F162-M166 HydrophobicContact CD2-CG 4.26Å; F162-M166 HydrophobicContact CE1-CG 4.08Å; F162-M166 HydrophobicContact CE2-CE 3.24Å; F162-M166 HydrophobicContact CE2-CG 3.94Å; F162-M166 HydrophobicContact CE2-SD 4.42Å; F162-M166 HydrophobicContact CZ-CE 3.65Å; F162-M166 HydrophobicContact CZ-CG 3.84Å; F162-M166 HydrophobicContact CZ-SD 4.47Å; F162-M166 WeakPolarHBondContact O-CB 3.29Å; F162-M166 VanDerWaalsContact O-CG 3.26Å; F162-M166 WeakPolarHBondContact O-CG 3.42Å; F162-M166 PolarHBondContact O-N 3.24Å; M166-T169 VanDerWaalsContact C-OG1 3.3Å; M166-T169 VanDerWaalsContact CA-OG1 3.32Å; M166-T169 WeakPolarHBondContact CA-OG1 3.38Å; M166-T169 PolarHBondContact O-OG1 2.83Å; M166-I171 HydrophobicContact CB-CD1 4.01Å; M166-I171 HydrophobicContact CG-CD1 4.27Å; M166-I171 WeakPolarHBondContact O-CB 3.39Å; M166-I171 PolarHBondContact O-N 3.23Å; M166-I171 HydrophobicContact SD-CD1 3.29Å; M166-I171 WeakPolarHBondContact SD-CD1 3.33Å
167	R	78.2	Confident	80	Confident	139 Å²	139	52.4 Å²	52.4	53%	0.525	24%	0.244	S	C	.	.	H	α-helix	trans	-66.6	-40.3	171.7	-164.8	176.8	66.5	172.1	0.7	112.6	L163 W164 I165 T169 N170 F172	L163-R167 WeakPolarHBondContact O-CB 3.23Å; L163-R167 PolarHBondContact O-N 2.74Å; W164-R167 PolarHBondContact O-N 3.07Å; I165-R167 VanDerWaalsContact C-N 3.27Å; I165-R167 PolarHBondContact O-N 3.13Å; R167-T169 VanDerWaalsContact C-N 3.29Å; R167-T169 PolarHBondContact O-N 2.86Å; R167-N170 PolarHBondContact O-N 3.05Å; R167-F172 HydrophobicContact CB-CE1 3.78Å; R167-F172 HydrophobicContact CB-CE2 4.1Å; R167-F172 HydrophobicContact CB-CZ 3.5Å; R167-F172 VanDerWaalsContact CB-CZ 3.5Å; R167-F172 HydrophobicContact CG-CD2 4.32Å; R167-F172 HydrophobicContact CG-CE1 4.22Å; R167-F172 HydrophobicContact CG-CE2 3.75Å; R167-F172 HydrophobicContact CG-CZ 3.7Å
168	K	75.8	Confident	79.3	Confident	96 Å²	96	55.9 Å²	55.9	42%	0.417	26%	0.26	S	S	.	.	H	α-helix	trans	-63.9	-33	178.3	-86.8	-74.8	-153.9	94.8	0	112.4	E148 W164 I165 N170	E148-K168 IonicContact OE1-NZ 2.79Å; E148-K168 PolarHBondContact OE1-NZ 2.76Å; E148-K168 IonicContact OE2-NZ 2.89Å; E148-K168 PolarHBondContact OE2-NZ 3.08Å; W164-K168 HydrophobicContact CD2-CG 4.26Å; W164-K168 HydrophobicContact CE3-CG 4.37Å; W164-K168 HydrophobicContact CH2-CG 4.12Å; W164-K168 HydrophobicContact CZ2-CD 4.37Å; W164-K168 VanDerWaalsContact CZ2-CE 3.46Å; W164-K168 HydrophobicContact CZ2-CG 3.99Å; W164-K168 HydrophobicContact CZ3-CG 4.29Å; W164-K168 PolarHBondContact O-N 3.37Å; I165-K168 WeakPolarHBondContact O-CA 3.25Å; I165-K168 WeakPolarHBondContact O-CB 3.48Å; I165-K168 PolarHBondContact O-N 3.11Å; K168-N170 PolarHBondContact O-N 3.24Å; K168-N170 VanDerWaalsContact O-N 3.14Å
169	T	72.3	Confident	78.3	Confident	53 Å²	53	58.1 Å²	58.1	33%	0.325	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	3.5	171.8	29.4	0	0	0	0	114.4	I137 M145 I165 M166 R167 I171	I137-T169 HydrophobicContact CD1-CG2 4.45Å; M145-T169 HydrophobicContact CE-CG2 3.24Å; M145-T169 HydrophobicContact SD-CG2 3.55Å; M145-T169 VanDerWaalsContact SD-CG2 3.55Å; I165-T169 PolarHBondContact O-N 3.06Å; I165-T169 VanDerWaalsContact O-N 3.14Å; I165-T169 PolarHBondContact O-OG1 2.85Å; M166-T169 VanDerWaalsContact C-OG1 3.3Å; M166-T169 VanDerWaalsContact CA-OG1 3.32Å; M166-T169 WeakPolarHBondContact CA-OG1 3.38Å; M166-T169 PolarHBondContact O-OG1 2.83Å; R167-T169 VanDerWaalsContact C-N 3.29Å; R167-T169 PolarHBondContact O-N 2.86Å; T169-I171 PolarHBondContact O-N 2.61Å; T169-I171 VanDerWaalsContact OG1-CD1 3.29Å; T169-I171 WeakPolarHBondContact OG1-CD1 3.29Å
170	N	62.1	Low	77.4	Confident	97 Å²	97	58.6 Å²	58.6	52%	0.519	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.9	31.9	-176.7	-68.2	100.9	0	0	0	113	R167 K168 F172	R167-N170 PolarHBondContact O-N 3.05Å; K168-N170 PolarHBondContact O-N 3.24Å; K168-N170 VanDerWaalsContact O-N 3.14Å; N170-F172 PolarHBondContact O-N 3.45Å
171	I	58.4	Low	76.4	Confident	24 Å²	24	51.9 Å²	51.9	12%	0.123	24%	0.236	C	C	.	.			trans	-66.7	-27.1	173	-64.4	168.6	0	0	0	109.8	S19 E135 M166 T169	S19-I171 PolarHBondContact OG-O 3.15Å; E135-I171 HydrophobicContact CG-CD1 3.89Å; E135-I171 HydrophobicContact CG-CG1 4.24Å; M166-I171 HydrophobicContact CB-CD1 4.01Å; M166-I171 HydrophobicContact CG-CD1 4.27Å; M166-I171 WeakPolarHBondContact O-CB 3.39Å; M166-I171 PolarHBondContact O-N 3.23Å; M166-I171 HydrophobicContact SD-CD1 3.29Å; M166-I171 WeakPolarHBondContact SD-CD1 3.33Å; T169-I171 PolarHBondContact O-N 2.61Å; T169-I171 VanDerWaalsContact OG1-CD1 3.29Å; T169-I171 WeakPolarHBondContact OG1-CD1 3.29Å
172	F	50.9	Low	75.2	Confident	77 Å²	77	53.3 Å²	53.3	34%	0.338	24%	0.242	S	C	.	.			trans	-151	0	172.4	63.7	-79	0	0	0	112.1	D102 L106 R167 N170	D102-F172 HydrophobicContact CB-CB 3.96Å; D102-F172 HydrophobicContact CB-CD1 4.47Å; D102-F172 HydrophobicContact CB-CG 4.27Å; D102-F172 WeakPolarHBondContact OD2-CB 3.44Å; L106-F172 HydrophobicContact CD1-CD1 3.81Å; L106-F172 HydrophobicContact CD1-CE1 3.24Å; L106-F172 HydrophobicContact CD1-CZ 4.02Å; R167-F172 HydrophobicContact CB-CE1 3.78Å; R167-F172 HydrophobicContact CB-CE2 4.1Å; R167-F172 HydrophobicContact CB-CZ 3.5Å; R167-F172 VanDerWaalsContact CB-CZ 3.5Å; R167-F172 HydrophobicContact CG-CD2 4.32Å; R167-F172 HydrophobicContact CG-CE1 4.22Å; R167-F172 HydrophobicContact CG-CE2 3.75Å; R167-F172 HydrophobicContact CG-CZ 3.7Å; N170-F172 PolarHBondContact O-N 3.45Å

Retrieved 172 of 172 residues in 43.5 ms (Link to these results)

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