A0A077ZH02_TRITR Loading...

Protein N-terminal glutamine amidohydrolase

Mediates the side-chain deamidation of N-terminal glutamine residues to glutamate, an important step in N-end rule pathway of protein degradation. Conversion of the resulting N-terminal glutamine to glutamate renders the protein susceptible to arginylation, polyubiquitination and degradation as specified by the N-end rule. Does not act on substrates with internal or C-terminal glutamine and does not act on non-glutamine residues in any position.

AlphaFold DB , UniProt , Accession A0A077ZH02, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 223 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	40.2	Very low	46.3	Very low	239 Å²	239	134.1 Å²	134.1	100%	1.177	72%	0.722	S	S	*	*				0	85.4	0	-69	167.8	-174	0	0	107.1
2	N	40.2	Very low	48.7	Very low	157 Å²	157	127.8 Å²	127.8	84%	0.84	70%	0.702	S	S	*	*			trans	-111.3	94	167.7	-76.4	-4.5	0	0	0	104.9	V4	N2-V4 VanDerWaalsContact C-N 3.28Å; N2-V4 PolarHBondContact O-N 3.48Å
3	D	40.4	Very low	51.5	Low	143 Å²	143	119.5 Å²	119.5	77%	0.765	66%	0.657	S	S	*	*			trans	-71.5	93.1	169.7	-167.6	14.2	0	0	0	106.4	T5	D3-T5 PolarHBondContact O-N 3.01Å
4	V	41.9	Very low	54.3	Low	122 Å²	122	111.2 Å²	111.2	74%	0.739	61%	0.612	S	S	*	*			trans	-72.8	85.7	170.6	-179.1	0	0	0	0	105	N2 S6	N2-V4 VanDerWaalsContact C-N 3.28Å; N2-V4 PolarHBondContact O-N 3.48Å; V4-S6 PolarHBondContact O-N 2.83Å
5	T	42.2	Very low	56.9	Low	111 Å²	111	114.9 Å²	114.9	68%	0.681	61%	0.613	S	S	*	*			trans	-62	91.2	162.7	50.9	0	0	0	0	105.8	D3 S7	D3-T5 PolarHBondContact O-N 3.01Å; T5-S7 VanDerWaalsContact C-N 3.33Å; T5-S7 PolarHBondContact O-N 3.04Å
6	S	40.7	Very low	59.3	Low	100 Å²	100	112.2 Å²	112.2	70%	0.699	59%	0.592	S	S	*	*			trans	-60.3	106	171.4	64.6	0	0	0	0	105.2	V4	V4-S6 PolarHBondContact O-N 2.83Å
7	S	42.2	Very low	61.4	Low	99 Å²	99	111.2 Å²	111.2	69%	0.692	60%	0.596	S	S	*	*			trans	-48	129.6	168	39.9	0	0	0	0	106.8	T5 K9	T5-S7 VanDerWaalsContact C-N 3.33Å; T5-S7 PolarHBondContact O-N 3.04Å; S7-K9 PolarHBondContact O-N 2.83Å
8	P	46.3	Very low	63.3	Low	112 Å²	112	109.2 Å²	109.2	73%	0.727	59%	0.585	S	S	*	*			trans	-53.3	120.6	-179.2	18.9	-29.3	0	0	0	106.8	R10	P8-R10 PolarHBondContact O-N 3.31Å
9	K	51.3	Low	65.1	Low	185 Å²	185	104.3 Å²	104.3	80%	0.804	56%	0.56	S	S	*	*			trans	-49.8	112.9	177.6	-93.3	-179.9	175.2	176.3	0	106.1	S7 I11	S7-K9 PolarHBondContact O-N 2.83Å; K9-I11 PolarHBondContact O-N 3.42Å
10	R	60	Low	66.7	Low	181 Å²	181	101.1 Å²	101.1	68%	0.683	55%	0.549	S	S	*	.			trans	-56	106.3	179.7	-169.4	178.1	-172	-178.8	-1.6	107.3	P8 A12	P8-R10 PolarHBondContact O-N 3.31Å; R10-A12 PolarHBondContact O-N 3.31Å
11	I	63.4	Low	68.2	Low	26 Å²	26	99.6 Å²	99.6	13%	0.133	54%	0.535	C	S	.	.			trans	-63.3	125.5	-177.5	-74.2	152.6	0	0	0	107.8	K9 V13 I37 C41 L108	K9-I11 PolarHBondContact O-N 3.42Å; I11-V13 PolarHBondContact O-N 3.01Å; I11-I37 HydrophobicContact CG2-CG2 3.71Å; I11-C41 HydrophobicContact CD1-CB 4.07Å; I11-C41 WeakPolarHBondContact CD1-SG 3.3Å; I11-C41 HydrophobicContact CG1-CB 4.48Å; I11-C41 WeakPolarHBondContact CG1-SG 3.14Å; I11-L108 HydrophobicContact CB-CD1 4Å; I11-L108 HydrophobicContact CB-CD2 3.76Å; I11-L108 HydrophobicContact CB-CG 4.34Å; I11-L108 HydrophobicContact CD1-CD2 3.22Å; I11-L108 HydrophobicContact CD1-CG 4.47Å; I11-L108 HydrophobicContact CG1-CD2 3.94Å; I11-L108 HydrophobicContact CG2-CD1 4.08Å
12	A	75.1	Confident	70.9	Confident	58 Å²	58	88.8 Å²	88.8	48%	0.479	48%	0.484	S	S	.	.			trans	-77.6	97	-176.8	0	0	0	0	0	108.7	R10 R40	R10-A12 PolarHBondContact O-N 3.31Å; A12-R40 VanDerWaalsContact O-CD 3.26Å; A12-R40 WeakPolarHBondContact O-CD 3.45Å; A12-R40 PolarHBondContact O-NH1 3.01Å
13	V	85.2	Confident	73.6	Confident	20 Å²	20	84.1 Å²	84.1	12%	0.121	46%	0.462	C	S	.	.	P	Polyproline II helix	trans	-52.4	129.3	167.1	172.4	0	0	0	0	109.1	I11 L115 F123	I11-V13 PolarHBondContact O-N 3.01Å; V13-L115 HydrophobicContact CB-CD2 4.34Å; V13-L115 HydrophobicContact CG1-CD2 3.34Å; V13-L115 HydrophobicContact CG1-CG 4.44Å; V13-L115 HydrophobicContact CG2-CD2 4.05Å; V13-F123 HydrophobicContact CG1-CE1 4.35Å
14	P	90.6	Very high	76.2	Confident	4 Å²	4	78.1 Å²	78.1	3%	0.026	43%	0.434	C	S	.	.	P	Polyproline II helix	trans	-60.2	152.7	176.2	25.3	-34.3	0	0	0	111.4	L33 T36	P14-L33 HydrophobicContact CG-CD1 3.43Å; P14-L33 VanDerWaalsContact CG-CD1 3.43Å; P14-T36 HydrophobicContact CB-CG2 4.18Å; P14-T36 HydrophobicContact CG-CG2 4.01Å
15	R	93.3	Very high	78.8	Confident	167 Å²	167	72.3 Å²	72.3	63%	0.63	40%	0.399	S	S	*	.	P	Polyproline II helix	trans	-65.4	149.2	168.7	-57.8	176.9	-62.2	176.2	7.1	108.1	S17 D18 C19	R15-S17 PolarHBondContact O-N 3.36Å; R15-S17 VanDerWaalsContact O-N 3.12Å; R15-D18 WeakPolarHBondContact CB-OD2 3.15Å; R15-D18 IonicContact CZ-OD1 3.2Å; R15-D18 IonicContact CZ-OD2 2.97Å; R15-D18 IonicContact NE-OD1 3.33Å; R15-D18 PolarHBondContact NE-OD1 2.93Å; R15-D18 IonicContact NE-OD2 3.75Å; R15-D18 PolarHBondContact NE-OD2 3.34Å; R15-D18 IonicContact NH2-OD1 3.41Å; R15-D18 PolarHBondContact NH2-OD1 3.29Å; R15-D18 IonicContact NH2-OD2 3.39Å; R15-D18 PolarHBondContact NH2-OD2 2.94Å; R15-D18 WeakPolarHBondContact O-CB 3.47Å; R15-D18 PolarHBondContact O-N 2.86Å; R15-C19 PolarHBondContact O-N 3.27Å; R15-C19 PolarHBondContact O-SG 3.19Å
16	R	95.8	Very high	81.5	Confident	71 Å²	71	67.3 Å²	67.3	27%	0.268	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-50	-39.5	176	-173.6	-178	-106.3	170.6	8.8	112.8	D18 C19 R85 L117 T119 L121 F123	R16-D18 VanDerWaalsContact C-N 3.25Å; R16-D18 PolarHBondContact O-N 3.4Å; R16-C19 PolarHBondContact O-N 3.46Å; R16-R85 VanDerWaalsContact NE-NH2 3.14Å; R16-L117 HydrophobicContact CG-CD2 4.44Å; R16-T119 VanDerWaalsContact NH2-CG2 3.25Å; R16-T119 PolarHBondContact NH2-O 2.86Å; R16-L121 PolarHBondContact NH1-O 3.4Å; R16-L121 PolarHBondContact NH2-O 2.6Å; R16-F123 HydrophobicContact CB-CB 4.1Å; R16-F123 HydrophobicContact CB-CD1 3.58Å; R16-F123 HydrophobicContact CB-CE1 4.15Å; R16-F123 HydrophobicContact CB-CG 3.91Å; R16-F123 HydrophobicContact CG-CB 4.36Å; R16-F123 HydrophobicContact CG-CD1 4.3Å; R16-F123 HydrophobicContact CG-CG 4.2Å; R16-F123 VanDerWaalsContact CZ-CB 3.5Å; R16-F123 VanDerWaalsContact NE-CB 3.32Å
17	S	95.2	Very high	84.2	Confident	96 Å²	96	62.5 Å²	62.5	67%	0.671	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-67.9	-20.8	178.1	57.4	0	0	0	0	114.6	R15	R15-S17 PolarHBondContact O-N 3.36Å; R15-S17 VanDerWaalsContact O-N 3.12Å
18	D	95.3	Very high	86.9	Confident	75 Å²	75	57.8 Å²	57.8	40%	0.401	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-97.1	-2.5	-177.5	-51.2	-24.6	0	0	0	111.4	R15 R16	R15-D18 WeakPolarHBondContact CB-OD2 3.15Å; R15-D18 IonicContact CZ-OD1 3.2Å; R15-D18 IonicContact CZ-OD2 2.97Å; R15-D18 IonicContact NE-OD1 3.33Å; R15-D18 PolarHBondContact NE-OD1 2.93Å; R15-D18 IonicContact NE-OD2 3.75Å; R15-D18 PolarHBondContact NE-OD2 3.34Å; R15-D18 IonicContact NH2-OD1 3.41Å; R15-D18 PolarHBondContact NH2-OD1 3.29Å; R15-D18 IonicContact NH2-OD2 3.39Å; R15-D18 PolarHBondContact NH2-OD2 2.94Å; R15-D18 WeakPolarHBondContact O-CB 3.47Å; R15-D18 PolarHBondContact O-N 2.86Å; R16-D18 VanDerWaalsContact C-N 3.25Å; R16-D18 PolarHBondContact O-N 3.4Å
19	C	97.2	Very high	89.3	Confident	15 Å²	15	52.5 Å²	52.5	10%	0.101	27%	0.267	C	S	.	.	S	Bend	trans	-85.1	134.8	178.4	-58.3	0	0	0	0	109.8	R15 R16 Y21 L117	R15-C19 PolarHBondContact O-N 3.27Å; R15-C19 PolarHBondContact O-SG 3.19Å; R16-C19 PolarHBondContact O-N 3.46Å; C19-Y21 PolarHBondContact O-N 2.96Å; C19-L117 HydrophobicContact CB-CD1 4.25Å; C19-L117 HydrophobicContact CB-CD2 3.7Å
20	A	97.1	Very high	91.6	Very high	40 Å²	40	43.8 Å²	43.8	33%	0.331	23%	0.229	S	C	.	.			trans	-59.8	132.9	164.6	0	0	0	0	0	109.2	L32 W182	A20-L32 HydrophobicContact CB-CB 4.16Å; A20-L32 HydrophobicContact CB-CD1 3.5Å; A20-L32 VanDerWaalsContact CB-CD1 3.5Å; A20-L32 HydrophobicContact CB-CG 4.46Å; A20-W182 HydrophobicContact CB-CE3 4.32Å; A20-W182 HydrophobicContact CB-CH2 4.17Å; A20-W182 HydrophobicContact CB-CZ3 3.9Å
21	Y	98.1	Very high	93.4	Very high	70 Å²	70	35.6 Å²	35.6	28%	0.275	20%	0.199	S	C	.	.			trans	-150.7	133.3	-172.1	173.1	-98.9	0	0	0	112.2	C19 P23 N29 L117 D118	C19-Y21 PolarHBondContact O-N 2.96Å; Y21-P23 HydrophobicContact CE1-CG 3.74Å; Y21-N29 WeakPolarHBondContact CA-OD1 3.37Å; Y21-L117 HydrophobicContact CD2-CB 3.85Å; Y21-L117 HydrophobicContact CE2-CB 4.13Å; Y21-D118 PolarHBondContact OH-OD1 2.99Å
22	C	98.1	Very high	95	Very high	13 Å²	13	36.1 Å²	36.1	9%	0.088	20%	0.202	C	C	.	.			trans	-139.7	121.4	173.3	-174.4	0	0	0	0	109.8	G24 Y25 N29 P178 P180 W182	C22-G24 PolarHBondContact O-N 2.89Å; C22-Y25 HydrophobicContact CB-CD2 4.29Å; C22-Y25 PolarHBondContact O-N 3.38Å; C22-Y25 VanDerWaalsContact SG-CD2 3.53Å; C22-N29 PolarHBondContact N-OD1 3.39Å; C22-N29 PolarHBondContact O-ND2 2.76Å; C22-P178 PolarHBondContact SG-O 3.22Å; C22-P180 HydrophobicContact CB-CB 3.72Å; C22-P180 HydrophobicContact CB-CG 4.38Å; C22-W182 HydrophobicContact CB-CH2 3.71Å; C22-W182 HydrophobicContact CB-CZ2 4.06Å
23	P	96.4	Very high	96.1	Very high	59 Å²	59	33.5 Å²	33.5	38%	0.383	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	133.2	179.1	-23	32.3	0	0	0	112.4	Y21 Y25 M177	Y21-P23 HydrophobicContact CE1-CG 3.74Å; P23-Y25 VanDerWaalsContact C-N 3.34Å; P23-M177 HydrophobicContact CB-CE 3.94Å
24	G	94.4	Very high	96.5	Very high	17 Å²	17	32.6 Å²	32.6	18%	0.175	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.7	1.2	179.9	0	0	0	0	0	115.2	C22 M168	C22-G24 PolarHBondContact O-N 2.89Å; G24-M168 VanDerWaalsContact O-CE 3.26Å; G24-M168 WeakPolarHBondContact O-CE 3.48Å
25	Y	97.1	Very high	96.8	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.181	C	C	.	.			trans	-120.2	48	176.8	-68.2	-94.6	0	0	0	110.7	C22 P23 E27 E28 N29 R165 M168 M177 P178 P179 P180	C22-Y25 HydrophobicContact CB-CD2 4.29Å; C22-Y25 PolarHBondContact O-N 3.38Å; C22-Y25 VanDerWaalsContact SG-CD2 3.53Å; P23-Y25 VanDerWaalsContact C-N 3.34Å; Y25-E27 PolarHBondContact O-N 3.4Å; Y25-E28 PolarHBondContact O-N 3.08Å; Y25-N29 PolarHBondContact O-N 3.33Å; Y25-N29 PolarHBondContact O-ND2 3.02Å; Y25-N29 PolarHBondContact O-OD1 3.47Å; Y25-R165 HydrophobicContact CE1-CB 4.2Å; Y25-R165 HydrophobicContact CE1-CG 3.94Å; Y25-M168 HydrophobicContact CD1-CG 4.22Å; Y25-M168 HydrophobicContact CD2-CE 4.32Å; Y25-M168 HydrophobicContact CE1-CB 3.94Å; Y25-M168 HydrophobicContact CE1-CE 4.46Å; Y25-M168 HydrophobicContact CE1-CG 3.57Å; Y25-M168 HydrophobicContact CE2-CE 3.87Å; Y25-M168 WeakPolarHBondContact OH-CB 3.45Å; Y25-M177 HydrophobicContact CE2-CB 4.31Å; Y25-M177 PolarHBondContact OH-O 2.74Å; Y25-P178 WeakPolarHBondContact CE2-O 3.36Å; Y25-P179 WeakPolarHBondContact OH-CA 3.28Å; Y25-P180 HydrophobicContact CD1-CG 4.46Å; Y25-P180 HydrophobicContact CG-CG 4.45Å
26	C	98.1	Very high	96.8	Very high	5 Å²	5	27.7 Å²	27.7	3%	0.034	16%	0.163	C	C	.	.	H	α-helix	trans	-57.5	-34	-174.9	59.2	0	0	0	0	112.6	N29 V30 V101	C26-N29 PolarHBondContact O-N 2.8Å; C26-V30 WeakPolarHBondContact O-CB 3.48Å; C26-V30 WeakPolarHBondContact O-CG2 3.47Å; C26-V30 PolarHBondContact O-N 2.69Å; C26-V101 HydrophobicContact CB-CB 4.25Å; C26-V101 PolarHBondContact SG-N 3.37Å
27	E	97.9	Very high	96.6	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-59.3	-46.7	173.5	67.7	-76.1	-178.4	0	0	112.5	Y25 H31 Y99 V101 Y157 F161 H167 M194	Y25-E27 PolarHBondContact O-N 3.4Å; E27-H31 WeakPolarHBondContact O-CB 3.48Å; E27-H31 PolarHBondContact O-N 2.94Å; E27-Y99 PolarHBondContact OE1-OH 3.26Å; E27-Y99 WeakPolarHBondContact OE2-CE2 3.41Å; E27-Y99 PolarHBondContact OE2-OH 3.5Å; E27-V101 HydrophobicContact CB-CG2 3.96Å; E27-Y157 PolarHBondContact O-OH 3.2Å; E27-F161 HydrophobicContact CB-CE2 3.96Å; E27-F161 HydrophobicContact CB-CZ 3.86Å; E27-F161 HydrophobicContact CG-CE2 4Å; E27-F161 HydrophobicContact CG-CZ 3.6Å; E27-H167 IonicContact OE1-CE1 2.68Å; E27-H167 PolarHBondContact OE1-CE1 3.3Å; E27-H167 IonicContact OE1-NE2 2.96Å; E27-H167 PolarHBondContact OE1-NE2 3.32Å; E27-M194 HydrophobicContact CB-SD 4.13Å; E27-M194 HydrophobicContact CG-CE 4.34Å; E27-M194 HydrophobicContact CG-SD 3.75Å
28	E	98.3	Very high	96.5	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-75.1	-38.2	179.6	-60.6	-160.9	-165	0	0	111.1	Y25 V30 H31 L32 F161 S163 R165 W182 I185	Y25-E28 PolarHBondContact O-N 3.08Å; E28-V30 VanDerWaalsContact C-N 3.3Å; E28-V30 PolarHBondContact O-N 2.8Å; E28-H31 PolarHBondContact O-N 3.34Å; E28-L32 WeakPolarHBondContact O-CG 3.42Å; E28-L32 PolarHBondContact O-N 3.14Å; E28-F161 HydrophobicContact CG-CE1 4.19Å; E28-F161 HydrophobicContact CG-CZ 4.22Å; E28-S163 PolarHBondContact OE1-OG 3.01Å; E28-S163 VanDerWaalsContact OE1-OG 3.14Å; E28-R165 WeakPolarHBondContact OE1-CG 3.23Å; E28-R165 IonicContact OE1-CZ 3.88Å; E28-R165 IonicContact OE1-NE 3.43Å; E28-R165 PolarHBondContact OE1-NE 2.82Å; E28-R165 IonicContact OE1-NH2 3.7Å; E28-R165 IonicContact OE2-CZ 2.93Å; E28-R165 IonicContact OE2-NE 2.85Å; E28-R165 PolarHBondContact OE2-NE 2.86Å; E28-R165 IonicContact OE2-NH2 3.45Å; E28-R165 PolarHBondContact OE2-NH2 3.33Å; E28-W182 HydrophobicContact CB-CZ2 4.5Å; E28-W182 PolarHBondContact OE2-NE1 3.02Å; E28-I185 HydrophobicContact CB-CD1 3.8Å; E28-I185 HydrophobicContact CG-CD1 3.9Å
29	N	98.5	Very high	96.2	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.005	14%	0.136	C	C	.	.	H	α-helix	trans	-58.2	-44.6	175.7	-64.1	-24.4	0	0	0	110.8	Y21 C22 Y25 C26 L33 L117	Y21-N29 WeakPolarHBondContact CA-OD1 3.37Å; C22-N29 PolarHBondContact N-OD1 3.39Å; C22-N29 PolarHBondContact O-ND2 2.76Å; Y25-N29 PolarHBondContact O-N 3.33Å; Y25-N29 PolarHBondContact O-ND2 3.02Å; Y25-N29 PolarHBondContact O-OD1 3.47Å; C26-N29 PolarHBondContact O-N 2.8Å; N29-L33 WeakPolarHBondContact O-CB 3.07Å; N29-L33 PolarHBondContact O-N 3.25Å; N29-L117 HydrophobicContact CB-CD1 3.76Å
30	V	98.5	Very high	95.8	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.012	15%	0.152	C	C	.	.	H	α-helix	trans	-69.7	-39.3	176.4	170	0	0	0	0	111.3	C26 E28 L32 L33 V34 V51 V101 L103	C26-V30 WeakPolarHBondContact O-CB 3.48Å; C26-V30 WeakPolarHBondContact O-CG2 3.47Å; C26-V30 PolarHBondContact O-N 2.69Å; E28-V30 VanDerWaalsContact C-N 3.3Å; E28-V30 PolarHBondContact O-N 2.8Å; V30-L32 VanDerWaalsContact C-N 3.33Å; V30-L32 PolarHBondContact O-N 3.43Å; V30-L33 WeakPolarHBondContact O-CB 3.43Å; V30-L33 PolarHBondContact O-N 2.9Å; V30-V34 HydrophobicContact CG1-CG2 4.14Å; V30-V34 WeakPolarHBondContact O-CB 3.31Å; V30-V34 VanDerWaalsContact O-CG2 3.23Å; V30-V34 WeakPolarHBondContact O-CG2 3.47Å; V30-V34 PolarHBondContact O-N 2.87Å; V30-V51 HydrophobicContact CG1-CB 4.42Å; V30-V51 HydrophobicContact CG1-CG1 3.96Å; V30-V51 HydrophobicContact CG1-CG2 3.73Å; V30-V101 HydrophobicContact CB-CG1 3.93Å; V30-V101 HydrophobicContact CG1-CG1 4.07Å; V30-V101 HydrophobicContact CG2-CB 4.39Å; V30-V101 HydrophobicContact CG2-CG1 4.01Å; V30-V101 WeakPolarHBondContact CG2-O 3.17Å; V30-L103 HydrophobicContact CG1-CB 4.12Å
31	H	98.1	Very high	94.9	Very high	9 Å²	9	27.7 Å²	27.7	4%	0.042	14%	0.144	C	C	.	.	H	α-helix	trans	-57.6	-44.5	174	-175.7	88.5	0	0	0	112.6	E27 E28 V34 T35 Y157 Y158 F161 I185 H187	E27-H31 WeakPolarHBondContact O-CB 3.48Å; E27-H31 PolarHBondContact O-N 2.94Å; E28-H31 PolarHBondContact O-N 3.34Å; H31-V34 WeakPolarHBondContact O-CB 3.19Å; H31-V34 PolarHBondContact O-N 3Å; H31-T35 WeakPolarHBondContact O-CB 3.31Å; H31-T35 PolarHBondContact O-N 2.96Å; H31-T35 PolarHBondContact O-OG1 2.9Å; H31-Y157 HydrophobicContact CB-CE1 3.79Å; H31-Y157 AromaticContact ND1-CE1 3.98Å; H31-Y158 PolarHBondContact CE1-O 2.87Å; H31-F161 HydrophobicContact CB-CD1 3.8Å; H31-F161 HydrophobicContact CB-CE1 4.07Å; H31-F161 AromaticContact CG-CD1 3.69Å; H31-F161 AromaticContact ND1-CD1 3.48Å; H31-F161 WeakPolarHBondContact ND1-CD1 3.28Å; H31-I185 HydrophobicContact CB-CD1 3.85Å; H31-H187 AromaticContact CE1-NE2 3.35Å; H31-H187 PolarHBondContact CE1-NE2 3.48Å; H31-H187 AromaticContact NE2-NE2 3.83Å
32	L	97.7	Very high	93.6	Very high	37 Å²	37	29.7 Å²	29.7	19%	0.194	17%	0.167	C	C	.	.	H	α-helix	trans	-70.4	-33.9	178.4	-66.8	178.2	0	0	0	112.4	A20 E28 V30 T35 T36 W182	A20-L32 HydrophobicContact CB-CB 4.16Å; A20-L32 HydrophobicContact CB-CD1 3.5Å; A20-L32 VanDerWaalsContact CB-CD1 3.5Å; A20-L32 HydrophobicContact CB-CG 4.46Å; E28-L32 WeakPolarHBondContact O-CG 3.42Å; E28-L32 PolarHBondContact O-N 3.14Å; V30-L32 VanDerWaalsContact C-N 3.33Å; V30-L32 PolarHBondContact O-N 3.43Å; L32-T35 PolarHBondContact O-N 3.15Å; L32-T36 WeakPolarHBondContact O-CB 3.4Å; L32-T36 PolarHBondContact O-N 2.93Å; L32-T36 PolarHBondContact O-OG1 3.38Å; L32-W182 HydrophobicContact CD1-CD2 3.64Å; L32-W182 HydrophobicContact CD1-CE3 4.14Å; L32-W182 HydrophobicContact CD1-CG 4.08Å; L32-W182 HydrophobicContact CD1-CH2 4.14Å; L32-W182 HydrophobicContact CD1-CZ2 3.66Å; L32-W182 HydrophobicContact CD1-CZ3 4.38Å
33	L	96.5	Very high	92.6	Very high	3 Å²	3	33 Å²	33	2%	0.016	19%	0.19	C	C	.	.	H	α-helix	trans	-62.3	-47	170.3	174.8	58.6	0	0	0	111.2	P14 N29 V30 T35 T36 I37 L103 L115 F123	P14-L33 HydrophobicContact CG-CD1 3.43Å; P14-L33 VanDerWaalsContact CG-CD1 3.43Å; N29-L33 WeakPolarHBondContact O-CB 3.07Å; N29-L33 PolarHBondContact O-N 3.25Å; V30-L33 WeakPolarHBondContact O-CB 3.43Å; V30-L33 PolarHBondContact O-N 2.9Å; L33-T35 PolarHBondContact O-N 3Å; L33-T36 PolarHBondContact O-N 3.4Å; L33-I37 HydrophobicContact CD1-CD1 3.95Å; L33-I37 HydrophobicContact CD1-CG1 4.32Å; L33-I37 HydrophobicContact CG-CD1 4.06Å; L33-I37 VanDerWaalsContact O-CG1 3.29Å; L33-I37 WeakPolarHBondContact O-CG1 3.15Å; L33-I37 PolarHBondContact O-N 3.3Å; L33-L103 HydrophobicContact CD2-CB 4.34Å; L33-L103 HydrophobicContact CD2-CD2 3.9Å; L33-L103 HydrophobicContact CG-CD2 3.93Å; L33-L115 HydrophobicContact CD1-CD2 4.3Å; L33-L115 HydrophobicContact CD2-CB 3.77Å; L33-L115 HydrophobicContact CD2-CD2 3.94Å; L33-L115 HydrophobicContact CG-CD2 4.49Å; L33-F123 HydrophobicContact CD2-CZ 4.23Å
34	V	95.4	Very high	92.1	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-58.9	-46	175.7	167.3	0	0	0	0	110.9	V30 H31 T36 I37 R38 L45 V51 L103 A154 Y158	V30-V34 HydrophobicContact CG1-CG2 4.14Å; V30-V34 WeakPolarHBondContact O-CB 3.31Å; V30-V34 VanDerWaalsContact O-CG2 3.23Å; V30-V34 WeakPolarHBondContact O-CG2 3.47Å; V30-V34 PolarHBondContact O-N 2.87Å; H31-V34 WeakPolarHBondContact O-CB 3.19Å; H31-V34 PolarHBondContact O-N 3Å; V34-T36 PolarHBondContact O-N 2.91Å; V34-I37 PolarHBondContact O-N 3.14Å; V34-R38 WeakPolarHBondContact O-CB 3.4Å; V34-R38 PolarHBondContact O-N 3.41Å; V34-L45 HydrophobicContact CG1-CD1 3.35Å; V34-V51 HydrophobicContact CG2-CG2 3.79Å; V34-L103 HydrophobicContact CG2-CD1 3.66Å; V34-L103 HydrophobicContact CG2-CD2 4.04Å; V34-L103 HydrophobicContact CG2-CG 4.46Å; V34-A154 HydrophobicContact CG1-CB 4.33Å; V34-A154 HydrophobicContact CG2-CB 4.4Å; V34-Y158 HydrophobicContact CG1-CD2 4.47Å
35	T	94.8	Very high	92	Very high	29 Å²	29	33 Å²	33	18%	0.178	19%	0.187	C	C	.	.	H	α-helix	trans	-58.8	-48.4	175.5	-59.8	0	0	0	0	111.4	H31 L32 L33 I37 R38 D39 Y158	H31-T35 WeakPolarHBondContact O-CB 3.31Å; H31-T35 PolarHBondContact O-N 2.96Å; H31-T35 PolarHBondContact O-OG1 2.9Å; L32-T35 PolarHBondContact O-N 3.15Å; L33-T35 PolarHBondContact O-N 3Å; T35-I37 VanDerWaalsContact C-N 3.29Å; T35-I37 PolarHBondContact O-N 3.17Å; T35-R38 WeakPolarHBondContact O-CB 3.34Å; T35-R38 PolarHBondContact O-N 2.74Å; T35-R38 VanDerWaalsContact O-N 3.13Å; T35-D39 PolarHBondContact O-N 2.72Å; T35-Y158 HydrophobicContact CG2-CE2 4.07Å
36	T	93.9	Very high	91.6	Very high	40 Å²	40	34.6 Å²	34.6	25%	0.245	20%	0.198	C	C	.	.	H	α-helix	trans	-60.3	-39.4	178.5	-59.6	0	0	0	0	112.1	P14 L32 L33 V34 R40	P14-T36 HydrophobicContact CB-CG2 4.18Å; P14-T36 HydrophobicContact CG-CG2 4.01Å; L32-T36 WeakPolarHBondContact O-CB 3.4Å; L32-T36 PolarHBondContact O-N 2.93Å; L32-T36 PolarHBondContact O-OG1 3.38Å; L33-T36 PolarHBondContact O-N 3.4Å; V34-T36 PolarHBondContact O-N 2.91Å; T36-R40 WeakPolarHBondContact O-CD 3.49Å; T36-R40 VanDerWaalsContact O-CG 3.3Å; T36-R40 WeakPolarHBondContact O-CG 3.18Å
37	I	92.2	Very high	91.1	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-66.3	-48.6	175.8	-70.7	169.9	0	0	0	109	I11 L33 V34 T35 D39 R40 C41 L45 L49 L103 L115	I11-I37 HydrophobicContact CG2-CG2 3.71Å; L33-I37 HydrophobicContact CD1-CD1 3.95Å; L33-I37 HydrophobicContact CD1-CG1 4.32Å; L33-I37 HydrophobicContact CG-CD1 4.06Å; L33-I37 VanDerWaalsContact O-CG1 3.29Å; L33-I37 WeakPolarHBondContact O-CG1 3.15Å; L33-I37 PolarHBondContact O-N 3.3Å; V34-I37 PolarHBondContact O-N 3.14Å; T35-I37 VanDerWaalsContact C-N 3.29Å; T35-I37 PolarHBondContact O-N 3.17Å; I37-D39 VanDerWaalsContact C-N 3.35Å; I37-D39 PolarHBondContact O-N 3.12Å; I37-R40 WeakPolarHBondContact O-CA 3.48Å; I37-R40 WeakPolarHBondContact O-CB 3.42Å; I37-R40 PolarHBondContact O-N 2.88Å; I37-C41 PolarHBondContact O-N 3.28Å; I37-C41 PolarHBondContact O-SG 2.96Å; I37-L45 HydrophobicContact CB-CD2 4.16Å; I37-L45 HydrophobicContact CG2-CD2 3.61Å; I37-L49 HydrophobicContact CG2-CD2 4.15Å; I37-L103 HydrophobicContact CD1-CD2 3.56Å; I37-L115 HydrophobicContact CD1-CD2 4.31Å
38	R	92.1	Very high	90.8	Very high	45 Å²	45	41.9 Å²	41.9	17%	0.17	24%	0.238	C	C	.	.	H	α-helix	trans	-57.4	-44.2	-179.2	-169.7	174.1	-176.2	-75.7	2.6	112.8	V34 T35 R40 C41 S43 L45 E155 Y158	V34-R38 WeakPolarHBondContact O-CB 3.4Å; V34-R38 PolarHBondContact O-N 3.41Å; T35-R38 WeakPolarHBondContact O-CB 3.34Å; T35-R38 PolarHBondContact O-N 2.74Å; T35-R38 VanDerWaalsContact O-N 3.13Å; R38-R40 PolarHBondContact O-N 3.24Å; R38-R40 VanDerWaalsContact O-N 3.17Å; R38-C41 WeakPolarHBondContact O-CB 3.24Å; R38-C41 PolarHBondContact O-N 3.36Å; R38-S43 PolarHBondContact NH1-O 3.25Å; R38-S43 PolarHBondContact NH2-O 2.74Å; R38-L45 HydrophobicContact CB-CD1 4.14Å; R38-L45 HydrophobicContact CB-CD2 3.69Å; R38-L45 HydrophobicContact CB-CG 3.78Å; R38-L45 HydrophobicContact CG-CD1 4.39Å; R38-L45 HydrophobicContact CG-CD2 4.31Å; R38-L45 HydrophobicContact CG-CG 3.91Å; R38-E155 IonicContact CZ-OE1 2.89Å; R38-E155 IonicContact NE-OE1 3.34Å; R38-E155 PolarHBondContact NE-OE1 2.92Å; R38-E155 IonicContact NE-OE2 3.52Å; R38-E155 PolarHBondContact NE-OE2 3.38Å; R38-E155 IonicContact NH2-OE1 2.78Å; R38-E155 PolarHBondContact NH2-OE1 3.01Å; R38-Y158 VanDerWaalsContact CD-CD1 3.47Å; R38-Y158 VanDerWaalsContact CD-CE1 3.46Å; R38-Y158 VanDerWaalsContact CZ-CE1 3.48Å; R38-Y158 VanDerWaalsContact NE-CE1 3.3Å
39	D	90.4	Very high	90.6	Very high	114 Å²	114	42 Å²	42	61%	0.61	24%	0.239	S	C	*	.	H	α-helix	trans	-59.9	-27.2	176.9	-70	-17.7	0	0	0	112.3	T35 I37	T35-D39 PolarHBondContact O-N 2.72Å; I37-D39 VanDerWaalsContact C-N 3.35Å; I37-D39 PolarHBondContact O-N 3.12Å
40	R	87.7	Confident	90.5	Very high	113 Å²	113	43.1 Å²	43.1	43%	0.426	24%	0.244	S	C	.	.	H	α-helix	trans	-84.9	-15.9	174.8	-61.6	169.6	-173	-151.4	-3.4	113.4	A12 T36 I37 R38	A12-R40 VanDerWaalsContact O-CD 3.26Å; A12-R40 WeakPolarHBondContact O-CD 3.45Å; A12-R40 PolarHBondContact O-NH1 3.01Å; T36-R40 WeakPolarHBondContact O-CD 3.49Å; T36-R40 VanDerWaalsContact O-CG 3.3Å; T36-R40 WeakPolarHBondContact O-CG 3.18Å; I37-R40 WeakPolarHBondContact O-CA 3.48Å; I37-R40 WeakPolarHBondContact O-CB 3.42Å; I37-R40 PolarHBondContact O-N 2.88Å; R38-R40 PolarHBondContact O-N 3.24Å; R38-R40 VanDerWaalsContact O-N 3.17Å
41	C	79.5	Confident	90.5	Very high	25 Å²	25	43 Å²	43	17%	0.169	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	5.7	-177.4	-56.2	0	0	0	0	114	I11 I37 R38 S43 C44	I11-C41 HydrophobicContact CD1-CB 4.07Å; I11-C41 WeakPolarHBondContact CD1-SG 3.3Å; I11-C41 HydrophobicContact CG1-CB 4.48Å; I11-C41 WeakPolarHBondContact CG1-SG 3.14Å; I37-C41 PolarHBondContact O-N 3.28Å; I37-C41 PolarHBondContact O-SG 2.96Å; R38-C41 WeakPolarHBondContact O-CB 3.24Å; R38-C41 PolarHBondContact O-N 3.36Å; C41-S43 PolarHBondContact O-N 3.49Å; C41-S43 VanDerWaalsContact O-N 3.1Å; C41-C44 WeakPolarHBondContact CB-O 3.18Å
42	C	70	Confident	90.6	Very high	112 Å²	112	42.6 Å²	42.6	76%	0.757	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.2	8.6	176.2	-59.4	0	0	0	0	117
43	S	76.2	Confident	90.6	Very high	82 Å²	82	40.9 Å²	40.9	57%	0.573	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	165.5	-22.5	155	41.9	0	0	0	0	115	R38 C41	R38-S43 PolarHBondContact NH1-O 3.25Å; R38-S43 PolarHBondContact NH2-O 2.74Å; C41-S43 PolarHBondContact O-N 3.49Å; C41-S43 VanDerWaalsContact O-N 3.1Å
44	C	87.6	Confident	90.7	Very high	71 Å²	71	40.7 Å²	40.7	48%	0.48	23%	0.231	S	C	.	.			trans	-143.2	154.9	-179.8	59.7	0	0	0	0	111.7	C41	C41-C44 WeakPolarHBondContact CB-O 3.18Å
45	L	91.3	Very high	90.6	Very high	5 Å²	5	40.7 Å²	40.7	3%	0.026	23%	0.231	C	C	.	.			trans	-83.9	149.7	170.8	-64.9	161.9	0	0	0	110.1	V34 I37 R38 L49 A154 E155	V34-L45 HydrophobicContact CG1-CD1 3.35Å; I37-L45 HydrophobicContact CB-CD2 4.16Å; I37-L45 HydrophobicContact CG2-CD2 3.61Å; R38-L45 HydrophobicContact CB-CD1 4.14Å; R38-L45 HydrophobicContact CB-CD2 3.69Å; R38-L45 HydrophobicContact CB-CG 3.78Å; R38-L45 HydrophobicContact CG-CD1 4.39Å; R38-L45 HydrophobicContact CG-CD2 4.31Å; R38-L45 HydrophobicContact CG-CG 3.91Å; L45-L49 HydrophobicContact CB-CD2 4.49Å; L45-L49 HydrophobicContact CD2-CD2 3.8Å; L45-A154 HydrophobicContact CD1-CB 3.99Å; L45-E155 HydrophobicContact CB-CB 4.24Å; L45-E155 WeakPolarHBondContact CB-OE2 3.36Å; L45-E155 WeakPolarHBondContact CD1-OE2 3.26Å; L45-E155 VanDerWaalsContact CG-OE2 3.29Å; L45-E155 WeakPolarHBondContact CG-OE2 3.11Å; L45-E155 PolarHBondContact N-OE2 3.24Å
46	P	88.8	Confident	90.4	Very high	33 Å²	33	39.3 Å²	39.3	21%	0.214	22%	0.223	C	C	.	.			trans	-71.4	149.2	177.4	34.2	-40.2	0	0	0	111.5	G48 L49 L108	P46-G48 PolarHBondContact O-N 3.24Å; P46-G48 VanDerWaalsContact O-N 3.07Å; P46-L49 HydrophobicContact CG-CB 3.91Å; P46-L49 PolarHBondContact O-N 3.49Å; P46-L49 VanDerWaalsContact O-N 3.11Å; P46-L108 HydrophobicContact CB-CD2 4.43Å; P46-L108 HydrophobicContact CG-CD2 3.66Å; P46-L108 HydrophobicContact CG-CG 4.3Å
47	D	88.4	Confident	90.1	Very high	151 Å²	151	38.8 Å²	38.8	81%	0.807	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-21.3	-179.3	-65	-25.7	0	0	0	114.3
48	G	90.5	Very high	89.4	Confident	8 Å²	8	42 Å²	42	8%	0.082	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	16.5	178.7	0	0	0	0	0	115.4	P46 K106	P46-G48 PolarHBondContact O-N 3.24Å; P46-G48 VanDerWaalsContact O-N 3.07Å; G48-K106 WeakPolarHBondContact O-CB 3.41Å; G48-K106 PolarHBondContact O-N 2.79Å
49	L	93.8	Very high	88.3	Confident	1 Å²	1	45.5 Å²	45.5	1%	0.005	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	123.3	170.7	-172.1	71.8	0	0	0	109.1	I37 L45 P46 L103 D105 L108 A154	I37-L49 HydrophobicContact CG2-CD2 4.15Å; L45-L49 HydrophobicContact CB-CD2 4.49Å; L45-L49 HydrophobicContact CD2-CD2 3.8Å; P46-L49 HydrophobicContact CG-CB 3.91Å; P46-L49 PolarHBondContact O-N 3.49Å; P46-L49 VanDerWaalsContact O-N 3.11Å; L49-L103 HydrophobicContact CD1-CD1 3.8Å; L49-L103 HydrophobicContact CD1-CD2 4.01Å; L49-L103 HydrophobicContact CD1-CG 3.77Å; L49-L103 HydrophobicContact CD2-CD1 4.14Å; L49-L103 HydrophobicContact CD2-CD2 4.35Å; L49-L103 HydrophobicContact CG-CD1 3.68Å; L49-L103 HydrophobicContact CG-CD2 4.44Å; L49-L103 HydrophobicContact CG-CG 4.22Å; L49-D105 HydrophobicContact CD1-CB 3.66Å; L49-L108 HydrophobicContact CD1-CD1 4.42Å; L49-A154 HydrophobicContact CB-CB 3.97Å; L49-A154 HydrophobicContact CD2-CB 3.73Å; L49-A154 HydrophobicContact CG-CB 3.69Å; L49-A154 WeakPolarHBondContact O-CB 3.34Å; L49-A154 PolarHBondContact O-N 3.38Å
50	F	97.6	Very high	87	Confident	26 Å²	26	43.4 Å²	43.4	11%	0.114	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	129	-174.2	-69	-91.4	0	0	0	111.6	V52 L103 V104 L151 I152 P153 H220 F221	F50-V52 HydrophobicContact CB-CG2 4.24Å; F50-L103 CarbonylContact O-C 3.37Å; F50-L103 WeakPolarHBondContact O-CA 3.38Å; F50-L103 WeakPolarHBondContact O-CD1 3.4Å; F50-V104 PolarHBondContact N-O 2.93Å; F50-V104 PolarHBondContact O-N 3.24Å; F50-L151 HydrophobicContact CD1-CB 4.3Å; F50-I152 CarbonylContact C-O 3.53Å; F50-I152 WeakPolarHBondContact CA-O 3.46Å; F50-P153 HydrophobicContact CE1-CG 4.26Å; F50-H220 AromaticContact CE1-NE2 3.96Å; F50-H220 AromaticContact CE2-NE2 3.53Å; F50-H220 AromaticContact CZ-CE1 3.97Å; F50-H220 AromaticContact CZ-NE2 3.48Å; F50-H220 WeakPolarHBondContact CZ-NE2 3.19Å; F50-F221 HydrophobicContact CB-CE1 4.38Å; F50-F221 HydrophobicContact CB-CZ 4.07Å; F50-F221 AromaticContact CD2-CE1 3.91Å; F50-F221 HydrophobicContact CD2-CE1 3.91Å; F50-F221 HydrophobicContact CD2-CZ 4.25Å; F50-F221 HydrophobicContact CG-CE1 4.36Å; F50-F221 HydrophobicContact CG-CZ 4.26Å
51	V	98.7	Very high	86	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	124.5	159.6	175.9	0	0	0	0	107.2	V30 V34 V101 L103 I152 A154 Y157	V30-V51 HydrophobicContact CG1-CB 4.42Å; V30-V51 HydrophobicContact CG1-CG1 3.96Å; V30-V51 HydrophobicContact CG1-CG2 3.73Å; V34-V51 HydrophobicContact CG2-CG2 3.79Å; V51-V101 HydrophobicContact CG1-CG1 3.49Å; V51-V101 VanDerWaalsContact CG1-CG1 3.49Å; V51-L103 HydrophobicContact CG2-CD1 3.91Å; V51-I152 HydrophobicContact CB-CB 4.38Å; V51-I152 PolarHBondContact N-O 2.91Å; V51-I152 WeakPolarHBondContact O-CB 3.34Å; V51-I152 PolarHBondContact O-N 3.36Å; V51-A154 HydrophobicContact CG2-CB 4.45Å; V51-Y157 HydrophobicContact CB-CD1 4.28Å; V51-Y157 HydrophobicContact CB-CD2 4.15Å; V51-Y157 HydrophobicContact CB-CG 3.96Å; V51-Y157 HydrophobicContact CG1-CD1 4.25Å; V51-Y157 HydrophobicContact CG1-CD2 3.91Å; V51-Y157 HydrophobicContact CG1-CE1 4.2Å; V51-Y157 HydrophobicContact CG1-CE2 3.89Å; V51-Y157 HydrophobicContact CG1-CG 4.08Å; V51-Y157 HydrophobicContact CG2-CD1 3.63Å; V51-Y157 HydrophobicContact CG2-CD2 4.38Å; V51-Y157 HydrophobicContact CG2-CE1 4.19Å; V51-Y157 HydrophobicContact CG2-CG 3.71Å
52	V	98.8	Very high	85.2	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	114.9	179.4	-179.9	0	0	0	0	108.6	F50 I54 V101 I102 V104 F149 H150 L151 F217 F221	F50-V52 HydrophobicContact CB-CG2 4.24Å; V52-I54 HydrophobicContact CG1-CG1 4.17Å; V52-V101 WeakPolarHBondContact O-CA 3.49Å; V52-I102 HydrophobicContact CB-CD1 4.46Å; V52-I102 HydrophobicContact CB-CG1 3.89Å; V52-I102 HydrophobicContact CG1-CG1 4.47Å; V52-I102 PolarHBondContact N-O 3.24Å; V52-I102 PolarHBondContact O-N 3.22Å; V52-V104 HydrophobicContact CB-CG2 4.27Å; V52-V104 HydrophobicContact CG2-CB 4.22Å; V52-V104 HydrophobicContact CG2-CG2 3.63Å; V52-F149 HydrophobicContact CG1-CB 4.1Å; V52-F149 HydrophobicContact CG1-CD1 4.08Å; V52-H150 WeakPolarHBondContact CA-O 3.46Å; V52-L151 HydrophobicContact CB-CD2 4.45Å; V52-L151 HydrophobicContact CG1-CD2 3.94Å; V52-L151 HydrophobicContact CG2-CD2 3.78Å; V52-F217 HydrophobicContact CG1-CD2 4.49Å; V52-F217 HydrophobicContact CG1-CE2 4.01Å; V52-F217 HydrophobicContact CG2-CE2 4.44Å; V52-F221 HydrophobicContact CG2-CE2 4.13Å; V52-F221 HydrophobicContact CG2-CZ 3.99Å
53	V	98.6	Very high	84.8	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	118.7	170.9	-174.4	0	0	0	0	108.1	Y99 V101 H150 I152 L197 I198	V53-Y99 HydrophobicContact CG1-CD2 4.4Å; V53-V101 HydrophobicContact CB-CG2 4.5Å; V53-V101 HydrophobicContact CG1-CG2 4.24Å; V53-V101 HydrophobicContact CG2-CG1 4.31Å; V53-V101 HydrophobicContact CG2-CG2 4.06Å; V53-H150 HydrophobicContact CB-CB 4.09Å; V53-H150 PolarHBondContact N-O 2.73Å; V53-H150 PolarHBondContact O-N 3.39Å; V53-I152 HydrophobicContact CG2-CD1 4.02Å; V53-L197 HydrophobicContact CG2-CB 4.34Å; V53-I198 HydrophobicContact CG1-CG2 3.93Å
54	I	97.7	Very high	84	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	116.6	178.3	-46.3	175.9	0	0	0	107.1	V52 V79 I81 Y99 H100 I102 L135 R147 F149	V52-I54 HydrophobicContact CG1-CG1 4.17Å; I54-V79 HydrophobicContact CB-CG1 4.2Å; I54-V79 HydrophobicContact CG2-CG1 3.56Å; I54-I81 HydrophobicContact CD1-CD1 4.12Å; I54-Y99 CarbonylContact O-C 3.6Å; I54-Y99 VanDerWaalsContact O-CA 3.26Å; I54-Y99 WeakPolarHBondContact O-CA 3.4Å; I54-Y99 WeakPolarHBondContact O-CB 3.2Å; I54-H100 PolarHBondContact N-O 3.27Å; I54-H100 PolarHBondContact O-N 2.84Å; I54-I102 HydrophobicContact CD1-CD1 3.97Å; I54-I102 HydrophobicContact CD1-CG1 4.36Å; I54-L135 HydrophobicContact CD1-CD2 3.87Å; I54-R147 HydrophobicContact CG2-CB 4.02Å; I54-R147 HydrophobicContact CG2-CG 3.99Å; I54-F149 HydrophobicContact CD1-CD1 4.46Å; I54-F149 HydrophobicContact CD1-CE1 4.22Å; I54-F149 HydrophobicContact CG1-CD1 3.95Å; I54-F149 HydrophobicContact CG1-CE1 4.13Å; I54-F149 HydrophobicContact CG2-CD1 4.2Å; I54-F149 HydrophobicContact CG2-CE1 3.91Å; I54-F149 HydrophobicContact CG2-CZ 4.48Å
55	S	94.3	Very high	82.6	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	-176.7	179.3	-171	0	0	0	0	109.4	R147 L148 I198	S55-R147 CarbonylContact O-C 3.6Å; S55-R147 VanDerWaalsContact O-CA 3.31Å; S55-R147 WeakPolarHBondContact O-CA 3.42Å; S55-L148 PolarHBondContact N-O 3.39Å; S55-L148 PolarHBondContact O-N 3.27Å; S55-L148 VanDerWaalsContact O-O 3.13Å; S55-I198 PolarHBondContact OG-O 2.86Å
56	N	90.2	Very high	81	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.249	C	C	.	.			trans	-119.4	164.6	173.5	-67.5	21	0	0	0	110.3	Y58 Q78 V79 E144 Y145 K146	N56-Y58 PolarHBondContact O-N 2.96Å; N56-Q78 PolarHBondContact ND2-O 2.91Å; N56-V79 WeakPolarHBondContact OD1-CG2 3.3Å; N56-E144 PolarHBondContact ND2-O 3.01Å; N56-Y145 VanDerWaalsContact ND2-CA 3.31Å; N56-Y145 WeakPolarHBondContact ND2-CA 3.4Å; N56-K146 PolarHBondContact ND2-O 3.49Å; N56-K146 PolarHBondContact OD1-O 3Å
57	P	86.7	Confident	79.6	Confident	29 Å²	29	56.6 Å²	56.6	19%	0.188	28%	0.278	C	S	.	.			trans	-55.7	106.8	176.2	-27.5	35.8	0	0	0	114	S60 V61 K146 L148 L200	P57-S60 PolarHBondContact O-N 3.42Å; P57-V61 WeakPolarHBondContact O-CG2 3.38Å; P57-V61 PolarHBondContact O-N 2.69Å; P57-V61 VanDerWaalsContact O-N 3.14Å; P57-K146 WeakPolarHBondContact CD-O 3.39Å; P57-L148 HydrophobicContact CB-CD1 4.48Å; P57-L148 HydrophobicContact CG-CD1 3.9Å; P57-L148 HydrophobicContact CG-CG 4.15Å; P57-L200 CarbonylContact C-O 3.55Å; P57-L200 WeakPolarHBondContact CA-O 2.84Å
58	Y	77.8	Confident	78.2	Confident	67 Å²	67	54.4 Å²	54.4	26%	0.263	27%	0.266	S	S	.	.	H	α-helix	trans	-60.4	-50.2	-172.1	180	-101.4	0	0	0	113.5	N56 S60 V61 K62 N199 L200	N56-Y58 PolarHBondContact O-N 2.96Å; Y58-S60 VanDerWaalsContact C-N 3.31Å; Y58-S60 PolarHBondContact O-N 2.98Å; Y58-V61 PolarHBondContact O-N 3.45Å; Y58-K62 HydrophobicContact CD1-CD 4.39Å; Y58-K62 HydrophobicContact CE1-CD 3.71Å; Y58-K62 PolarHBondContact O-N 3Å; Y58-K62 VanDerWaalsContact O-N 3.08Å; Y58-K62 WeakPolarHBondContact OH-CE 3.26Å; Y58-K62 PolarHBondContact OH-NZ 3.47Å; Y58-N199 HydrophobicContact CD1-CB 4.23Å; Y58-N199 HydrophobicContact CD2-CB 4.12Å; Y58-N199 VanDerWaalsContact CD2-OD1 3.26Å; Y58-N199 WeakPolarHBondContact CD2-OD1 3.44Å; Y58-N199 HydrophobicContact CE2-CB 4.49Å; Y58-N199 WeakPolarHBondContact CE2-OD1 3.34Å; Y58-N199 HydrophobicContact CG-CB 3.95Å; Y58-L200 PolarHBondContact N-O 3.11Å
59	K	70.1	Confident	76.3	Confident	118 Å²	118	59 Å²	59	51%	0.513	30%	0.296	S	S	.	.	H	α-helix	trans	-59.5	-39.8	177.1	-82.6	170.4	-174.6	144.5	0	112.6	K62 Q63 D201	K59-K62 PolarHBondContact O-N 3.41Å; K59-Q63 WeakPolarHBondContact O-CB 3.37Å; K59-Q63 WeakPolarHBondContact O-CG 3.31Å; K59-Q63 PolarHBondContact O-N 2.9Å; K59-D201 VanDerWaalsContact CB-OD1 3.3Å; K59-D201 WeakPolarHBondContact CB-OD1 3.36Å; K59-D201 HydrophobicContact CD-CB 4.41Å; K59-D201 VanDerWaalsContact CD-CG 3.5Å; K59-D201 WeakPolarHBondContact CD-OD1 3.26Å; K59-D201 VanDerWaalsContact CD-OD2 3.24Å; K59-D201 WeakPolarHBondContact CD-OD2 3.35Å; K59-D201 WeakPolarHBondContact CE-OD2 3.46Å; K59-D201 WeakPolarHBondContact CG-OD1 3.42Å; K59-D201 PolarHBondContact N-OD1 3.11Å; K59-D201 IonicContact NZ-OD2 2.76Å; K59-D201 PolarHBondContact NZ-OD2 2.89Å
60	S	63.3	Low	74.7	Confident	71 Å²	71	65.6 Å²	65.6	50%	0.497	33%	0.331	S	S	.	.	H	α-helix	trans	-66.4	-41.4	-179.2	-58	0	0	0	0	111.4	P57 Y58 K62 Q63 M64	P57-S60 PolarHBondContact O-N 3.42Å; Y58-S60 VanDerWaalsContact C-N 3.31Å; Y58-S60 PolarHBondContact O-N 2.98Å; S60-K62 PolarHBondContact O-N 3.43Å; S60-Q63 PolarHBondContact O-N 2.94Å; S60-M64 WeakPolarHBondContact O-CB 3.19Å; S60-M64 PolarHBondContact O-N 3.36Å
61	V	65.3	Low	72.5	Confident	30 Å²	30	72.2 Å²	72.2	18%	0.182	36%	0.361	C	S	.	.	H	α-helix	trans	-61	-44.5	174.3	174.3	0	0	0	0	110.7	P57 Y58 Q65 P75	P57-V61 WeakPolarHBondContact O-CG2 3.38Å; P57-V61 PolarHBondContact O-N 2.69Å; P57-V61 VanDerWaalsContact O-N 3.14Å; Y58-V61 PolarHBondContact O-N 3.45Å; V61-Q65 PolarHBondContact O-N 2.77Å; V61-P75 HydrophobicContact CG1-CB 4.34Å
62	K	64.4	Low	70.1	Confident	90 Å²	90	78.5 Å²	78.5	39%	0.391	40%	0.399	S	S	.	.	H	α-helix	trans	-65.1	-43.2	176.1	-80.8	-169.6	164.4	-178.3	0	113.6	Y58 K59 S60 Q65 T66 P75	Y58-K62 HydrophobicContact CD1-CD 4.39Å; Y58-K62 HydrophobicContact CE1-CD 3.71Å; Y58-K62 PolarHBondContact O-N 3Å; Y58-K62 VanDerWaalsContact O-N 3.08Å; Y58-K62 WeakPolarHBondContact OH-CE 3.26Å; Y58-K62 PolarHBondContact OH-NZ 3.47Å; K59-K62 PolarHBondContact O-N 3.41Å; S60-K62 PolarHBondContact O-N 3.43Å; K62-Q65 PolarHBondContact O-N 2.93Å; K62-T66 PolarHBondContact O-N 2.81Å; K62-P75 HydrophobicContact CG-CB 4.22Å; K62-P75 HydrophobicContact CG-CG 4.45Å
63	Q	60.7	Low	67.5	Low	130 Å²	130	83.1 Å²	83.1	61%	0.607	42%	0.422	S	S	*	.	H	α-helix	trans	-67.2	-40.8	-178.7	-75.7	-179.8	29.9	0	0	112.3	K59 S60 Q65 T66	K59-Q63 WeakPolarHBondContact O-CB 3.37Å; K59-Q63 WeakPolarHBondContact O-CG 3.31Å; K59-Q63 PolarHBondContact O-N 2.9Å; S60-Q63 PolarHBondContact O-N 2.94Å; Q63-Q65 VanDerWaalsContact C-N 3.27Å; Q63-Q65 PolarHBondContact O-N 2.83Å; Q63-T66 PolarHBondContact O-N 3.27Å; Q63-T66 PolarHBondContact O-OG1 2.74Å
64	M	60	Low	65.3	Low	92 Å²	92	90.8 Å²	90.8	45%	0.453	46%	0.456	S	S	.	.	H	α-helix	trans	-57.5	-42.2	176.2	-162.9	94.3	80.1	0	0	111	S60 R67 E144	S60-M64 WeakPolarHBondContact O-CB 3.19Å; S60-M64 PolarHBondContact O-N 3.36Å; M64-R67 PolarHBondContact O-N 2.95Å; M64-E144 HydrophobicContact CE-CB 4.11Å
65	Q	58.3	Low	63.2	Low	44 Å²	44	94 Å²	94	21%	0.206	48%	0.477	C	S	.	.	H	α-helix	trans	-71.8	-34.5	-175.8	-167.5	59.9	45.8	0	0	113.5	V61 K62 Q63 R67 L68	V61-Q65 PolarHBondContact O-N 2.77Å; K62-Q65 PolarHBondContact O-N 2.93Å; Q63-Q65 VanDerWaalsContact C-N 3.27Å; Q63-Q65 PolarHBondContact O-N 2.83Å; Q65-R67 PolarHBondContact O-N 2.68Å; Q65-L68 PolarHBondContact O-N 2.96Å
66	T	56.8	Low	61.8	Low	115 Å²	115	96.8 Å²	96.8	71%	0.706	49%	0.494	S	S	*	.	H	α-helix	trans	-60	-17.9	175.9	58.3	0	0	0	0	113.7	K62 Q63	K62-T66 PolarHBondContact O-N 2.81Å; Q63-T66 PolarHBondContact O-N 3.27Å; Q63-T66 PolarHBondContact O-OG1 2.74Å
67	R	59.8	Low	60.9	Low	217 Å²	217	97.7 Å²	97.7	82%	0.819	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-14.7	176.8	-64.4	-176.5	170.3	-162.1	-2.3	114.1	M64 Q65	M64-R67 PolarHBondContact O-N 2.95Å; Q65-R67 PolarHBondContact O-N 2.68Å
68	L	59.8	Low	60.9	Low	105 Å²	105	99.3 Å²	99.3	55%	0.55	51%	0.505	S	S	.	.			trans	-101.2	83	179.1	-63.8	173.5	0	0	0	108.9	Q65 D70	Q65-L68 PolarHBondContact O-N 2.96Å; L68-D70 PolarHBondContact O-N 3.27Å
69	S	50.6	Low	61.6	Low	103 Å²	103	96.1 Å²	96.1	72%	0.72	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	1.8	-157	57.9	0	0	0	0	118.8
70	D	59	Low	62.7	Low	140 Å²	140	90.8 Å²	90.8	75%	0.749	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115	-3.8	-173.3	-64.6	-11	0	0	0	114.9	L68	L68-D70 PolarHBondContact O-N 3.27Å
71	F	52.3	Low	64.3	Low	166 Å²	166	87.4 Å²	87.4	73%	0.728	45%	0.446	S	S	*	.	S	Bend	trans	-133.6	121.4	174.6	-71.6	-91	0	0	0	109.4	I73	F71-I73 HydrophobicContact CB-CG1 4.28Å; F71-I73 PolarHBondContact O-N 2.62Å
72	V	47.6	Very low	65.9	Low	132 Å²	132	87.6 Å²	87.6	80%	0.8	44%	0.444	S	S	*	.			trans	-70.5	83.7	171.5	-176.7	0	0	0	0	107.9
73	I	45.1	Very low	67.5	Low	96 Å²	96	85.4 Å²	85.4	49%	0.492	44%	0.435	S	S	.	.			trans	-84.9	120.6	165.3	-52.6	176.2	0	0	0	105.6	F71	F71-I73 HydrophobicContact CB-CG1 4.28Å; F71-I73 PolarHBondContact O-N 2.62Å
74	F	51	Low	69.3	Low	161 Å²	161	79.3 Å²	79.3	71%	0.706	41%	0.406	S	S	*	.			trans	-60	134.2	173.4	-67.1	-86.2	0	0	0	108.5	T76	F74-T76 PolarHBondContact O-N 3.21Å
75	P	54.5	Low	71	Confident	68 Å²	68	79.7 Å²	79.7	44%	0.442	40%	0.402	S	S	.	.			trans	-64.4	100.5	176.9	25.5	-31.7	0	0	0	108.7	V61 K62	V61-P75 HydrophobicContact CG1-CB 4.34Å; K62-P75 HydrophobicContact CG-CB 4.22Å; K62-P75 HydrophobicContact CG-CG 4.45Å
76	T	63.7	Low	72.8	Confident	59 Å²	59	81 Å²	81	36%	0.362	42%	0.421	S	S	.	.			trans	-104.7	118.2	173.1	54.9	0	0	0	0	106.5	F74 Q78 D98	F74-T76 PolarHBondContact O-N 3.21Å; T76-Q78 VanDerWaalsContact O-CG 3.31Å; T76-Q78 WeakPolarHBondContact O-CG 3.42Å; T76-D98 WeakPolarHBondContact CB-OD1 3.2Å
77	S	72.4	Confident	74.6	Confident	19 Å²	19	76.1 Å²	76.1	13%	0.133	39%	0.394	C	S	.	.			trans	-50.6	148.4	165	-73.2	0	0	0	0	109.4	D98	S77-D98 WeakPolarHBondContact CB-O 3.17Å; S77-D98 WeakPolarHBondContact O-CA 2.93Å
78	Q	86	Confident	76.3	Confident	62 Å²	62	74.5 Å²	74.5	29%	0.29	39%	0.387	S	S	.	.			trans	-131	91.3	-173.7	-58.8	-168.3	17.4	0	0	110.3	N56 T76 P80 V96 Y145	N56-Q78 PolarHBondContact ND2-O 2.91Å; T76-Q78 VanDerWaalsContact O-CG 3.31Å; T76-Q78 WeakPolarHBondContact O-CG 3.42Å; Q78-P80 WeakPolarHBondContact O-CD 3.37Å; Q78-V96 HydrophobicContact CB-CG1 3.74Å; Q78-V96 HydrophobicContact CG-CG1 4.24Å; Q78-Y145 HydrophobicContact CB-CD1 3.8Å; Q78-Y145 HydrophobicContact CB-CE1 3.76Å; Q78-Y145 PolarHBondContact OE1-OH 3.36Å
79	V	92.6	Very high	77.8	Confident	0 Å²	0	75 Å²	75	0%	0	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	97.1	-178.9	-175.9	0	0	0	0	108.7	I54 N56 I81 W97 R147	I54-V79 HydrophobicContact CB-CG1 4.2Å; I54-V79 HydrophobicContact CG2-CG1 3.56Å; N56-V79 WeakPolarHBondContact OD1-CG2 3.3Å; V79-I81 HydrophobicContact CG1-CD1 3.97Å; V79-I81 HydrophobicContact CG1-CG1 3.93Å; V79-I81 PolarHBondContact O-N 3.34Å; V79-W97 HydrophobicContact CB-CB 4.35Å; V79-W97 PolarHBondContact N-O 3.47Å; V79-W97 PolarHBondContact O-N 3.49Å; V79-R147 HydrophobicContact CG1-CG 4.18Å
80	P	94.1	Very high	79.9	Confident	6 Å²	6	78.1 Å²	78.1	4%	0.039	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	124.5	176.2	30	-34	0	0	0	110.3	Q78 W82 L94 A95 L141 Y145	Q78-P80 WeakPolarHBondContact O-CD 3.37Å; P80-W82 HydrophobicContact CB-CH2 4.08Å; P80-W82 HydrophobicContact CB-CZ3 3.98Å; P80-W82 HydrophobicContact CG-CZ3 4.44Å; P80-L94 HydrophobicContact CB-CD1 3.8Å; P80-A95 WeakPolarHBondContact CA-O 3.2Å; P80-L141 HydrophobicContact CG-CD1 4.01Å; P80-L141 HydrophobicContact CG-CD2 3.94Å; P80-Y145 HydrophobicContact CG-CD1 4.3Å; P80-Y145 HydrophobicContact CG-CG 4.48Å
81	I	97	Very high	81.6	Confident	0 Å²	0	73.7 Å²	73.7	0%	0	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	128.6	173.2	-51.9	-178.3	0	0	0	108.4	I54 V79 Q84 A95 H100 A134 L135	I54-I81 HydrophobicContact CD1-CD1 4.12Å; V79-I81 HydrophobicContact CG1-CD1 3.97Å; V79-I81 HydrophobicContact CG1-CG1 3.93Å; V79-I81 PolarHBondContact O-N 3.34Å; I81-Q84 HydrophobicContact CB-CG 3.92Å; I81-Q84 HydrophobicContact CG2-CG 3.75Å; I81-Q84 VanDerWaalsContact O-CG 3.3Å; I81-Q84 WeakPolarHBondContact O-CG 3.31Å; I81-A95 PolarHBondContact N-O 2.76Å; I81-A95 PolarHBondContact O-N 2.92Å; I81-H100 HydrophobicContact CD1-CB 3.47Å; I81-H100 VanDerWaalsContact CD1-CB 3.47Å; I81-A134 HydrophobicContact CG2-CB 4.1Å; I81-L135 HydrophobicContact CG1-CD2 4.44Å
82	W	97.7	Very high	83.6	Confident	34 Å²	34	70.4 Å²	70.4	13%	0.129	37%	0.372	C	S	.	.	S	Bend	trans	-91.1	170.4	177	-73.1	-97.7	0	0	0	111.9	P80 Q84 S91 G93 L94 Y133 A134 R136 L141	P80-W82 HydrophobicContact CB-CH2 4.08Å; P80-W82 HydrophobicContact CB-CZ3 3.98Å; P80-W82 HydrophobicContact CG-CZ3 4.44Å; W82-Q84 PolarHBondContact O-N 3.43Å; W82-S91 VanDerWaalsContact CD1-O 3.29Å; W82-G93 CarbonylContact C-O 3.44Å; W82-G93 WeakPolarHBondContact CA-O 3.41Å; W82-L94 HydrophobicContact CD2-CD1 3.84Å; W82-L94 HydrophobicContact CE3-CD1 4.2Å; W82-L94 HydrophobicContact CG-CB 4.33Å; W82-L94 HydrophobicContact CG-CD1 4.32Å; W82-L94 HydrophobicContact CH2-CD1 4.26Å; W82-L94 HydrophobicContact CZ2-CD1 3.91Å; W82-L94 HydrophobicContact CZ2-CD2 4.22Å; W82-L94 HydrophobicContact CZ3-CD1 4.4Å; W82-Y133 VanDerWaalsContact CB-O 3.31Å; W82-Y133 WeakPolarHBondContact CB-O 3.49Å; W82-A134 PolarHBondContact N-O 2.83Å; W82-A134 WeakPolarHBondContact O-CA 3.5Å; W82-A134 WeakPolarHBondContact O-CB 3.37Å; W82-R136 VanDerWaalsContact CD1-NH2 3.28Å; W82-R136 VanDerWaalsContact CD2-CD 3.47Å; W82-R136 HydrophobicContact CD2-CG 4.21Å; W82-R136 HydrophobicContact CE3-CB 4.37Å; W82-R136 HydrophobicContact CE3-CG 3.84Å; W82-R136 HydrophobicContact CZ3-CB 4.3Å; W82-R136 HydrophobicContact CZ3-CG 4.24Å; W82-L141 HydrophobicContact CH2-CD2 4.15Å
83	K	98.2	Very high	86	Confident	45 Å²	45	64.6 Å²	64.6	20%	0.196	34%	0.339	C	S	.	.	S	Bend	trans	54.8	44.5	-177.4	-51	-64.5	176.2	-167.8	0	110.9	E92 G93 T119 T120 L121	K83-E92 PolarHBondContact N-O 3.4Å; K83-E92 IonicContact NZ-OE1 3.48Å; K83-E92 PolarHBondContact NZ-OE1 3.32Å; K83-G93 PolarHBondContact N-O 2.65Å; K83-G93 VanDerWaalsContact N-O 3.14Å; K83-T119 CarbonylContact O-C 3.55Å; K83-T119 WeakPolarHBondContact O-CA 3.36Å; K83-T119 PolarHBondContact O-OG1 3.26Å; K83-T120 WeakPolarHBondContact CA-OG1 3.37Å; K83-T120 WeakPolarHBondContact CB-OG1 3.29Å; K83-T120 PolarHBondContact O-N 3.3Å; K83-T120 PolarHBondContact O-OG1 3Å; K83-L121 HydrophobicContact CB-CD1 4.4Å; K83-L121 HydrophobicContact CB-CD2 4.21Å; K83-L121 HydrophobicContact CB-CG 3.89Å; K83-L121 HydrophobicContact CD-CD2 4.49Å; K83-L121 HydrophobicContact CG-CD2 3.99Å; K83-L121 HydrophobicContact CG-CG 4.17Å
84	Q	98.4	Very high	88.4	Confident	2 Å²	2	62 Å²	62	1%	0.009	33%	0.326	C	S	.	.	B	Isolated β-bridge	trans	-108.2	143	177.8	-63.3	-68.1	-66.3	0	0	110.1	I81 W82 A86 G87 G93 A95 D116 D118	I81-Q84 HydrophobicContact CB-CG 3.92Å; I81-Q84 HydrophobicContact CG2-CG 3.75Å; I81-Q84 VanDerWaalsContact O-CG 3.3Å; I81-Q84 WeakPolarHBondContact O-CG 3.31Å; W82-Q84 PolarHBondContact O-N 3.43Å; Q84-A86 VanDerWaalsContact C-N 3.3Å; Q84-A86 PolarHBondContact O-N 3.24Å; Q84-G87 WeakPolarHBondContact O-CA 3.35Å; Q84-G87 PolarHBondContact O-N 2.85Å; Q84-G93 WeakPolarHBondContact CB-O 3.22Å; Q84-G93 PolarHBondContact N-O 3.21Å; Q84-A95 HydrophobicContact CB-CB 3.77Å; Q84-A95 HydrophobicContact CG-CB 4.07Å; Q84-D116 PolarHBondContact NE2-OD2 2.92Å; Q84-D118 CarbonylContact C-O 3.42Å; Q84-D118 WeakPolarHBondContact CA-O 3.38Å
85	R	97.2	Very high	90.5	Very high	99 Å²	99	54.8 Å²	54.8	37%	0.374	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-37.6	179.1	-73.2	172.1	-173.4	171.3	7.3	112.9	R16 G87 L117 D118 T120	R16-R85 VanDerWaalsContact NE-NH2 3.14Å; R85-G87 PolarHBondContact O-N 3.2Å; R85-L117 PolarHBondContact NH1-O 3.19Å; R85-L117 PolarHBondContact NH2-O 2.99Å; R85-D118 VanDerWaalsContact CG-O 3.3Å; R85-D118 WeakPolarHBondContact CG-O 3.28Å; R85-D118 PolarHBondContact N-O 3.44Å; R85-T120 HydrophobicContact CG-CG2 4.15Å
86	A	95.2	Very high	92.3	Very high	73 Å²	73	55.3 Å²	55.3	60%	0.603	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-3.6	174.5	0	0	0	0	0	112.8	Q84 W97	Q84-A86 VanDerWaalsContact C-N 3.3Å; Q84-A86 PolarHBondContact O-N 3.24Å; A86-W97 HydrophobicContact CB-CH2 4Å; A86-W97 HydrophobicContact CB-CZ2 4.18Å
87	G	95.5	Very high	93.7	Very high	12 Å²	12	54.4 Å²	54.4	12%	0.124	29%	0.288	C	S	.	.	S	Bend	trans	-78.6	157.5	-173.6	0	0	0	0	0	113.7	Q84 R85 P89 L94	Q84-G87 WeakPolarHBondContact O-CA 3.35Å; Q84-G87 PolarHBondContact O-N 2.85Å; R85-G87 PolarHBondContact O-N 3.2Å; G87-P89 WeakPolarHBondContact O-CD 3.34Å; G87-L94 CarbonylContact C-O 3.56Å; G87-L94 WeakPolarHBondContact CA-O 3.03Å
88	R	94.4	Very high	94.6	Very high	183 Å²	183	57.7 Å²	57.7	69%	0.691	30%	0.304	S	S	*	.	B	Isolated β-bridge	trans	-69.5	123.3	-178.9	-60.4	179.6	-172.6	-145.9	1.3	110.4	N90 S91 G93 L94	R88-N90 VanDerWaalsContact C-N 3.3Å; R88-N90 PolarHBondContact O-N 3.06Å; R88-S91 CarbonylContact O-C 3.5Å; R88-S91 PolarHBondContact O-N 3.4Å; R88-G93 WeakPolarHBondContact O-CA 3.3Å; R88-G93 PolarHBondContact O-N 2.94Å; R88-L94 PolarHBondContact N-O 3.43Å
89	P	92	Very high	95.1	Very high	116 Å²	116	55.7 Å²	55.7	75%	0.753	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-58.4	-39.3	-177.8	-27.4	35.2	0	0	0	113.7	G87 S91 E92	G87-P89 WeakPolarHBondContact O-CD 3.34Å; P89-S91 PolarHBondContact O-N 3.03Å; P89-E92 PolarHBondContact O-N 2.82Å
90	N	94.2	Very high	95.3	Very high	168 Å²	168	55.7 Å²	55.7	90%	0.898	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-76.7	1.8	179.6	-62.8	-13.9	0	0	0	113.7	R88	R88-N90 VanDerWaalsContact C-N 3.3Å; R88-N90 PolarHBondContact O-N 3.06Å
91	S	94.2	Very high	95.5	Very high	47 Å²	47	55.5 Å²	55.5	33%	0.329	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-128.1	35.1	178.7	-50.2	0	0	0	0	110.5	W82 R88 P89 G93 L94	W82-S91 VanDerWaalsContact CD1-O 3.29Å; R88-S91 CarbonylContact O-C 3.5Å; R88-S91 PolarHBondContact O-N 3.4Å; P89-S91 PolarHBondContact O-N 3.03Å; S91-G93 PolarHBondContact O-N 2.82Å; S91-G93 VanDerWaalsContact O-N 3.15Å; S91-L94 WeakPolarHBondContact O-CB 3.36Å; S91-L94 PolarHBondContact O-N 2.77Å
92	E	95.7	Very high	95.6	Very high	97 Å²	97	55.5 Å²	55.5	45%	0.453	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.5	32.4	-179.8	-58.5	-169.8	74.7	0	0	114.4	K83 P89 R136	K83-E92 PolarHBondContact N-O 3.4Å; K83-E92 IonicContact NZ-OE1 3.48Å; K83-E92 PolarHBondContact NZ-OE1 3.32Å; P89-E92 PolarHBondContact O-N 2.82Å; E92-R136 IonicContact OE1-NH2 3.38Å; E92-R136 PolarHBondContact OE1-NH2 2.85Å; E92-R136 IonicContact OE2-CZ 3.39Å; E92-R136 IonicContact OE2-NH1 3.17Å; E92-R136 PolarHBondContact OE2-NH1 3.35Å; E92-R136 VanDerWaalsContact OE2-NH1 3.17Å; E92-R136 IonicContact OE2-NH2 2.72Å; E92-R136 PolarHBondContact OE2-NH2 2.73Å
93	G	96.9	Very high	95.6	Very high	10 Å²	10	53.9 Å²	53.9	10%	0.103	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	73	32.7	-177.5	0	0	0	0	0	113.2	W82 K83 Q84 R88 S91 A95	W82-G93 CarbonylContact C-O 3.44Å; W82-G93 WeakPolarHBondContact CA-O 3.41Å; K83-G93 PolarHBondContact N-O 2.65Å; K83-G93 VanDerWaalsContact N-O 3.14Å; Q84-G93 WeakPolarHBondContact CB-O 3.22Å; Q84-G93 PolarHBondContact N-O 3.21Å; R88-G93 WeakPolarHBondContact O-CA 3.3Å; R88-G93 PolarHBondContact O-N 2.94Å; S91-G93 PolarHBondContact O-N 2.82Å; S91-G93 VanDerWaalsContact O-N 3.15Å; G93-A95 PolarHBondContact O-N 3.02Å
94	L	96.1	Very high	95.6	Very high	40 Å²	40	51.7 Å²	51.7	21%	0.209	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-63.8	118.1	169.7	176.2	57.6	0	0	0	110.7	P80 W82 G87 R88 S91 V96	P80-L94 HydrophobicContact CB-CD1 3.8Å; W82-L94 HydrophobicContact CD2-CD1 3.84Å; W82-L94 HydrophobicContact CE3-CD1 4.2Å; W82-L94 HydrophobicContact CG-CB 4.33Å; W82-L94 HydrophobicContact CG-CD1 4.32Å; W82-L94 HydrophobicContact CH2-CD1 4.26Å; W82-L94 HydrophobicContact CZ2-CD1 3.91Å; W82-L94 HydrophobicContact CZ2-CD2 4.22Å; W82-L94 HydrophobicContact CZ3-CD1 4.4Å; G87-L94 CarbonylContact C-O 3.56Å; G87-L94 WeakPolarHBondContact CA-O 3.03Å; R88-L94 PolarHBondContact N-O 3.43Å; S91-L94 WeakPolarHBondContact O-CB 3.36Å; S91-L94 PolarHBondContact O-N 2.77Å; L94-V96 HydrophobicContact CD1-CG2 4.45Å
95	A	94.9	Very high	95.3	Very high	10 Å²	10	51.7 Å²	51.7	8%	0.083	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	142.2	162.4	0	0	0	0	0	109.1	P80 I81 Q84 G93 W97	P80-A95 WeakPolarHBondContact CA-O 3.2Å; I81-A95 PolarHBondContact N-O 2.76Å; I81-A95 PolarHBondContact O-N 2.92Å; Q84-A95 HydrophobicContact CB-CB 3.77Å; Q84-A95 HydrophobicContact CG-CB 4.07Å; G93-A95 PolarHBondContact O-N 3.02Å; A95-W97 HydrophobicContact CB-CD2 4.49Å; A95-W97 HydrophobicContact CB-CZ2 4.2Å
96	V	92.7	Very high	94.7	Very high	80 Å²	80	50.3 Å²	50.3	49%	0.485	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	105.8	172.1	-177.4	0	0	0	0	106.2	Q78 L94	Q78-V96 HydrophobicContact CB-CG1 3.74Å; Q78-V96 HydrophobicContact CG-CG1 4.24Å; L94-V96 HydrophobicContact CD1-CG2 4.45Å
97	W	93.6	Very high	93.5	Very high	40 Å²	40	51.3 Å²	51.3	15%	0.152	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	154.6	-176.2	-59.9	101.8	0	0	0	111.4	V79 A86 A95 Y99 H100 D118	V79-W97 HydrophobicContact CB-CB 4.35Å; V79-W97 PolarHBondContact N-O 3.47Å; V79-W97 PolarHBondContact O-N 3.49Å; A86-W97 HydrophobicContact CB-CH2 4Å; A86-W97 HydrophobicContact CB-CZ2 4.18Å; A95-W97 HydrophobicContact CB-CD2 4.49Å; A95-W97 HydrophobicContact CB-CZ2 4.2Å; W97-Y99 VanDerWaalsContact C-N 3.34Å; W97-Y99 WeakPolarHBondContact CB-O 3.49Å; W97-H100 HydrophobicContact CG-CB 4.41Å; W97-D118 HydrophobicContact CZ2-CB 4.26Å
98	D	90.8	Very high	91.8	Very high	87 Å²	87	51.5 Å²	51.5	47%	0.465	27%	0.266	S	S	.	.	S	Bend	trans	-63.4	-45.7	164.5	-69.3	-53.7	0	0	0	110.1	T76 S77	T76-D98 WeakPolarHBondContact CB-OD1 3.2Å; S77-D98 WeakPolarHBondContact CB-O 3.17Å; S77-D98 WeakPolarHBondContact O-CA 2.93Å
99	Y	95.3	Very high	90.3	Very high	20 Å²	20	45.3 Å²	45.3	8%	0.078	24%	0.243	C	C	.	.			trans	-154.6	164.5	168.1	63.3	-86.1	0	0	0	107.3	E27 V53 I54 W97 V101 H167 M194 I198	E27-Y99 PolarHBondContact OE1-OH 3.26Å; E27-Y99 WeakPolarHBondContact OE2-CE2 3.41Å; E27-Y99 PolarHBondContact OE2-OH 3.5Å; V53-Y99 HydrophobicContact CG1-CD2 4.4Å; I54-Y99 CarbonylContact O-C 3.6Å; I54-Y99 VanDerWaalsContact O-CA 3.26Å; I54-Y99 WeakPolarHBondContact O-CA 3.4Å; I54-Y99 WeakPolarHBondContact O-CB 3.2Å; W97-Y99 VanDerWaalsContact C-N 3.34Å; W97-Y99 WeakPolarHBondContact CB-O 3.49Å; Y99-V101 HydrophobicContact CD2-CG2 3.87Å; Y99-V101 HydrophobicContact CE2-CG2 3.89Å; Y99-H167 PolarHBondContact OH-CD2 2.85Å; Y99-H167 PolarHBondContact OH-NE2 2.92Å; Y99-M194 HydrophobicContact CD1-CE 4.42Å; Y99-M194 HydrophobicContact CD2-CE 4.37Å; Y99-M194 HydrophobicContact CE1-CE 3.64Å; Y99-M194 HydrophobicContact CE2-CE 3.6Å; Y99-M194 WeakPolarHBondContact OH-CE 3.39Å; Y99-I198 HydrophobicContact CD1-CB 4.27Å; Y99-I198 HydrophobicContact CD1-CD1 3.91Å; Y99-I198 HydrophobicContact CD1-CG2 3.7Å; Y99-I198 HydrophobicContact CD2-CG2 3.81Å; Y99-I198 HydrophobicContact CE1-CD1 4.08Å; Y99-I198 HydrophobicContact CE1-CG2 4.19Å; Y99-I198 HydrophobicContact CE2-CG2 4.3Å; Y99-I198 HydrophobicContact CG-CB 4.28Å; Y99-I198 HydrophobicContact CG-CG2 3.51Å
100	H	97.7	Very high	89.4	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	146.5	171.1	-164.8	43.9	0	0	0	110.8	I54 I81 W97 D116 D118	I54-H100 PolarHBondContact N-O 3.27Å; I54-H100 PolarHBondContact O-N 2.84Å; I81-H100 HydrophobicContact CD1-CB 3.47Å; I81-H100 VanDerWaalsContact CD1-CB 3.47Å; W97-H100 HydrophobicContact CG-CB 4.41Å; H100-D116 IonicContact CD2-OD2 3.24Å; H100-D116 IonicContact CE1-OD1 2.82Å; H100-D116 VanDerWaalsContact NE2-CG 3.28Å; H100-D116 IonicContact NE2-OD1 3.56Å; H100-D116 PolarHBondContact NE2-OD1 2.82Å; H100-D116 IonicContact NE2-OD2 3.74Å; H100-D116 PolarHBondContact NE2-OD2 2.91Å; H100-D118 IonicContact CE1-OD2 3.32Å
101	V	98.8	Very high	89	Confident	2 Å²	2	47 Å²	47	1%	0.012	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	125.8	178.3	-171.1	0	0	0	0	109.1	C26 E27 V30 V51 V52 V53 Y99	C26-V101 HydrophobicContact CB-CB 4.25Å; C26-V101 PolarHBondContact SG-N 3.37Å; E27-V101 HydrophobicContact CB-CG2 3.96Å; V30-V101 HydrophobicContact CB-CG1 3.93Å; V30-V101 HydrophobicContact CG1-CG1 4.07Å; V30-V101 HydrophobicContact CG2-CB 4.39Å; V30-V101 HydrophobicContact CG2-CG1 4.01Å; V30-V101 WeakPolarHBondContact CG2-O 3.17Å; V51-V101 HydrophobicContact CG1-CG1 3.49Å; V51-V101 VanDerWaalsContact CG1-CG1 3.49Å; V52-V101 WeakPolarHBondContact O-CA 3.49Å; V53-V101 HydrophobicContact CB-CG2 4.5Å; V53-V101 HydrophobicContact CG1-CG2 4.24Å; V53-V101 HydrophobicContact CG2-CG1 4.31Å; V53-V101 HydrophobicContact CG2-CG2 4.06Å; Y99-V101 HydrophobicContact CD2-CG2 3.87Å; Y99-V101 HydrophobicContact CE2-CG2 3.89Å
102	I	98.7	Very high	88.9	Confident	0 Å²	0	46 Å²	46	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	161.7	176.2	63	175.7	0	0	0	109.7	V52 I54 V104 V114 D116 Y130	V52-I102 HydrophobicContact CB-CD1 4.46Å; V52-I102 HydrophobicContact CB-CG1 3.89Å; V52-I102 HydrophobicContact CG1-CG1 4.47Å; V52-I102 PolarHBondContact N-O 3.24Å; V52-I102 PolarHBondContact O-N 3.22Å; I54-I102 HydrophobicContact CD1-CD1 3.97Å; I54-I102 HydrophobicContact CD1-CG1 4.36Å; I102-V104 HydrophobicContact CD1-CG2 3.96Å; I102-V104 HydrophobicContact CG1-CG2 4.16Å; I102-V114 HydrophobicContact CB-CG1 4.25Å; I102-V114 HydrophobicContact CD1-CG1 3.8Å; I102-V114 HydrophobicContact CG1-CG1 4.49Å; I102-D116 HydrophobicContact CG2-CB 3.75Å; I102-Y130 HydrophobicContact CD1-CD1 4.46Å; I102-Y130 HydrophobicContact CD1-CE1 3.82Å
103	L	98.1	Very high	88.8	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	131.3	169.9	-178.2	69.9	0	0	0	108.9	V30 L33 V34 I37 L49 F50 V51 L115 A154	V30-L103 HydrophobicContact CG1-CB 4.12Å; L33-L103 HydrophobicContact CD2-CB 4.34Å; L33-L103 HydrophobicContact CD2-CD2 3.9Å; L33-L103 HydrophobicContact CG-CD2 3.93Å; V34-L103 HydrophobicContact CG2-CD1 3.66Å; V34-L103 HydrophobicContact CG2-CD2 4.04Å; V34-L103 HydrophobicContact CG2-CG 4.46Å; I37-L103 HydrophobicContact CD1-CD2 3.56Å; L49-L103 HydrophobicContact CD1-CD1 3.8Å; L49-L103 HydrophobicContact CD1-CD2 4.01Å; L49-L103 HydrophobicContact CD1-CG 3.77Å; L49-L103 HydrophobicContact CD2-CD1 4.14Å; L49-L103 HydrophobicContact CD2-CD2 4.35Å; L49-L103 HydrophobicContact CG-CD1 3.68Å; L49-L103 HydrophobicContact CG-CD2 4.44Å; L49-L103 HydrophobicContact CG-CG 4.22Å; F50-L103 CarbonylContact O-C 3.37Å; F50-L103 WeakPolarHBondContact O-CA 3.38Å; F50-L103 WeakPolarHBondContact O-CD1 3.4Å; V51-L103 HydrophobicContact CG2-CD1 3.91Å; L103-L115 HydrophobicContact CB-CB 4.15Å; L103-L115 HydrophobicContact CB-CD1 4.43Å; L103-L115 HydrophobicContact CD2-CD1 4.33Å; L103-L115 HydrophobicContact CD2-CD2 4.29Å; L103-L115 HydrophobicContact CG-CD1 4.29Å; L103-L115 PolarHBondContact N-O 3.24Å; L103-L115 PolarHBondContact O-N 2.81Å; L103-A154 HydrophobicContact CD1-CB 4.26Å
104	V	97	Very high	88.9	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	127.3	179	-171.5	0	0	0	0	109.3	F50 V52 I102 V112 Q113 V114 F127 F221	F50-V104 PolarHBondContact N-O 2.93Å; F50-V104 PolarHBondContact O-N 3.24Å; V52-V104 HydrophobicContact CB-CG2 4.27Å; V52-V104 HydrophobicContact CG2-CB 4.22Å; V52-V104 HydrophobicContact CG2-CG2 3.63Å; I102-V104 HydrophobicContact CD1-CG2 3.96Å; I102-V104 HydrophobicContact CG1-CG2 4.16Å; V104-V112 HydrophobicContact CG1-CG1 3.6Å; V104-Q113 CarbonylContact C-O 3.59Å; V104-Q113 WeakPolarHBondContact CA-O 3.36Å; V104-V114 HydrophobicContact CG2-CG2 4.32Å; V104-F127 HydrophobicContact CG1-CD2 4.16Å; V104-F127 HydrophobicContact CG1-CE2 4.43Å; V104-F221 HydrophobicContact CB-CD1 4.4Å; V104-F221 HydrophobicContact CB-CE1 3.81Å; V104-F221 HydrophobicContact CB-CE2 4.43Å; V104-F221 HydrophobicContact CB-CZ 3.83Å; V104-F221 HydrophobicContact CG1-CD1 3.5Å; V104-F221 HydrophobicContact CG1-CD2 4.32Å; V104-F221 HydrophobicContact CG1-CE1 3.4Å; V104-F221 HydrophobicContact CG1-CE2 4.23Å; V104-F221 HydrophobicContact CG1-CG 3.99Å; V104-F221 HydrophobicContact CG1-CZ 3.79Å; V104-F221 HydrophobicContact CG2-CZ 4.32Å
105	D	92.1	Very high	88.9	Confident	1 Å²	1	39.5 Å²	39.5	1%	0.005	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	112.2	-175.8	167.2	26.3	0	0	0	110.3	L49 I107 L108 V112 Q113 L115	L49-D105 HydrophobicContact CD1-CB 3.66Å; D105-I107 PolarHBondContact OD1-N 2.92Å; D105-L108 WeakPolarHBondContact OD1-CB 3.4Å; D105-L108 WeakPolarHBondContact OD1-CG 3.25Å; D105-L108 PolarHBondContact OD1-N 2.65Å; D105-L108 WeakPolarHBondContact OD2-CB 3.29Å; D105-V112 CarbonylContact O-C 3.58Å; D105-V112 VanDerWaalsContact O-CA 3.27Å; D105-V112 WeakPolarHBondContact O-CA 3.11Å; D105-V112 WeakPolarHBondContact O-CG1 3.41Å; D105-Q113 HydrophobicContact CB-CB 4.37Å; D105-Q113 PolarHBondContact N-O 3.01Å; D105-Q113 PolarHBondContact O-N 2.86Å; D105-L115 HydrophobicContact CB-CD1 4.18Å
106	K	85.1	Confident	89.1	Confident	70 Å²	70	39 Å²	39	30%	0.304	19%	0.189	S	C	.	.	S	Bend	trans	-93.4	-13.9	177.8	-171.5	172.3	-177.6	173	0	113.7	G48 V112 H220 N223	G48-K106 WeakPolarHBondContact O-CB 3.41Å; G48-K106 PolarHBondContact O-N 2.79Å; K106-V112 HydrophobicContact CB-CG2 4.38Å; K106-V112 HydrophobicContact CG-CG2 4.07Å; K106-H220 PolarHBondContact NZ-O 2.9Å; K106-N223 VanDerWaalsContact CE-O 3.23Å; K106-N223 WeakPolarHBondContact CE-O 3.49Å; K106-N223 PolarHBondContact NZ-O 3.33Å
107	I	70	Confident	89.4	Confident	94 Å²	94	35.4 Å²	35.4	48%	0.482	17%	0.167	S	C	.	.	S	Bend	trans	-125.2	-33.7	-162.2	-63.8	-66.8	0	0	0	113.5	D105 R109	D105-I107 PolarHBondContact OD1-N 2.92Å; I107-R109 PolarHBondContact O-N 3.49Å; I107-R109 VanDerWaalsContact O-N 3.08Å
108	L	60	Low	89.6	Confident	17 Å²	17	33.7 Å²	33.7	9%	0.089	16%	0.161	C	C	.	.	S	Bend	trans	-70.4	-12	-172.4	-47.3	171.5	0	0	0	112	I11 P46 L49 D105	I11-L108 HydrophobicContact CB-CD1 4Å; I11-L108 HydrophobicContact CB-CD2 3.76Å; I11-L108 HydrophobicContact CB-CG 4.34Å; I11-L108 HydrophobicContact CD1-CD2 3.22Å; I11-L108 HydrophobicContact CD1-CG 4.47Å; I11-L108 HydrophobicContact CG1-CD2 3.94Å; I11-L108 HydrophobicContact CG2-CD1 4.08Å; P46-L108 HydrophobicContact CB-CD2 4.43Å; P46-L108 HydrophobicContact CG-CD2 3.66Å; P46-L108 HydrophobicContact CG-CG 4.3Å; L49-L108 HydrophobicContact CD1-CD1 4.42Å; D105-L108 WeakPolarHBondContact OD1-CB 3.4Å; D105-L108 WeakPolarHBondContact OD1-CG 3.25Å; D105-L108 PolarHBondContact OD1-N 2.65Å; D105-L108 WeakPolarHBondContact OD2-CB 3.29Å
109	R	63.6	Low	90	Very high	52 Å²	52	29.6 Å²	29.6	20%	0.196	14%	0.139	C	C	.	.	S	Bend	trans	-141.1	167.1	-178.2	-62.5	-162.8	173.4	146.2	6.9	112.4	I107 E111 Q113	I107-R109 PolarHBondContact O-N 3.49Å; I107-R109 VanDerWaalsContact O-N 3.08Å; R109-E111 PolarHBondContact O-N 2.84Å; R109-Q113 HydrophobicContact CB-CG 4.39Å
110	Q	71.9	Confident	90.1	Very high	212 Å²	212	32.4 Å²	32.4	99%	0.991	16%	0.158	S	C	*	.	S	Bend	trans	-66.9	-20.1	178.9	-69.2	177.4	-16.6	0	0	113.3
111	E	85.4	Confident	90.1	Very high	108 Å²	108	33.8 Å²	33.8	51%	0.505	17%	0.166	S	C	.	.	S	Bend	trans	-126.9	147.5	179.7	50.6	170.5	-159.4	0	0	108.7	R109 Q113	R109-E111 PolarHBondContact O-N 2.84Å; E111-Q113 VanDerWaalsContact CG-NE2 3.33Å; E111-Q113 PolarHBondContact O-N 2.97Å; E111-Q113 PolarHBondContact OE1-NE2 3Å
112	V	93.4	Very high	90	Very high	25 Å²	25	37 Å²	37	15%	0.152	19%	0.188	C	C	.	.			trans	-67.2	132.5	175.1	-176.3	0	0	0	0	109.1	V104 D105 K106 F127 F221	V104-V112 HydrophobicContact CG1-CG1 3.6Å; D105-V112 CarbonylContact O-C 3.58Å; D105-V112 VanDerWaalsContact O-CA 3.27Å; D105-V112 WeakPolarHBondContact O-CA 3.11Å; D105-V112 WeakPolarHBondContact O-CG1 3.41Å; K106-V112 HydrophobicContact CB-CG2 4.38Å; K106-V112 HydrophobicContact CG-CG2 4.07Å; V112-F127 HydrophobicContact CB-CB 3.79Å; V112-F127 HydrophobicContact CB-CG 4.36Å; V112-F127 HydrophobicContact CG1-CB 3.83Å; V112-F127 HydrophobicContact CG1-CD2 3.97Å; V112-F127 HydrophobicContact CG1-CG 4.06Å; V112-F127 PolarHBondContact O-N 3.14Å; V112-F221 HydrophobicContact CG1-CB 4.27Å; V112-F221 HydrophobicContact CG1-CD1 4.11Å; V112-F221 HydrophobicContact CG1-CG 4.49Å; V112-F221 VanDerWaalsContact CG2-O 3.23Å; V112-F221 WeakPolarHBondContact CG2-O 3.44Å
113	Q	94	Very high	89.9	Confident	10 Å²	10	38.5 Å²	38.5	5%	0.047	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	144.3	-176.7	-62.6	-72.9	-87.4	0	0	111.1	V104 D105 R109 E111 P124 C125	V104-Q113 CarbonylContact C-O 3.59Å; V104-Q113 WeakPolarHBondContact CA-O 3.36Å; D105-Q113 HydrophobicContact CB-CB 4.37Å; D105-Q113 PolarHBondContact N-O 3.01Å; D105-Q113 PolarHBondContact O-N 2.86Å; R109-Q113 HydrophobicContact CB-CG 4.39Å; E111-Q113 VanDerWaalsContact CG-NE2 3.33Å; E111-Q113 PolarHBondContact O-N 2.97Å; E111-Q113 PolarHBondContact OE1-NE2 3Å; Q113-P124 HydrophobicContact CB-CB 4.02Å; Q113-P124 HydrophobicContact CG-CB 4.39Å; Q113-C125 CarbonylContact C-O 3.59Å; Q113-C125 WeakPolarHBondContact CA-O 3.48Å
114	V	97.1	Very high	89.7	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	127.8	170.6	-179.8	0	0	0	0	109.3	I102 V104 D116 C125 F127 Y130	I102-V114 HydrophobicContact CB-CG1 4.25Å; I102-V114 HydrophobicContact CD1-CG1 3.8Å; I102-V114 HydrophobicContact CG1-CG1 4.49Å; V104-V114 HydrophobicContact CG2-CG2 4.32Å; V114-D116 HydrophobicContact CG1-CB 4.25Å; V114-C125 PolarHBondContact N-O 3.36Å; V114-C125 PolarHBondContact O-N 2.97Å; V114-F127 HydrophobicContact CG2-CD2 3.9Å; V114-Y130 HydrophobicContact CB-CD1 4.38Å; V114-Y130 HydrophobicContact CB-CD2 4.1Å; V114-Y130 HydrophobicContact CB-CG 3.9Å; V114-Y130 HydrophobicContact CG1-CD1 3.91Å; V114-Y130 HydrophobicContact CG1-CD2 3.67Å; V114-Y130 HydrophobicContact CG1-CE1 4.07Å; V114-Y130 HydrophobicContact CG1-CE2 3.85Å; V114-Y130 HydrophobicContact CG1-CG 3.71Å; V114-Y130 HydrophobicContact CG2-CD1 4.13Å; V114-Y130 HydrophobicContact CG2-CG 3.95Å
115	L	97.3	Very high	89.6	Confident	1 Å²	1	39.8 Å²	39.8	1%	0.005	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	85.9	173.8	-54.3	83.9	0	0	0	108.1	V13 L33 I37 L103 D105 F123 P124	V13-L115 HydrophobicContact CB-CD2 4.34Å; V13-L115 HydrophobicContact CG1-CD2 3.34Å; V13-L115 HydrophobicContact CG1-CG 4.44Å; V13-L115 HydrophobicContact CG2-CD2 4.05Å; L33-L115 HydrophobicContact CD1-CD2 4.3Å; L33-L115 HydrophobicContact CD2-CB 3.77Å; L33-L115 HydrophobicContact CD2-CD2 3.94Å; L33-L115 HydrophobicContact CG-CD2 4.49Å; I37-L115 HydrophobicContact CD1-CD2 4.31Å; L103-L115 HydrophobicContact CB-CB 4.15Å; L103-L115 HydrophobicContact CB-CD1 4.43Å; L103-L115 HydrophobicContact CD2-CD1 4.33Å; L103-L115 HydrophobicContact CD2-CD2 4.29Å; L103-L115 HydrophobicContact CG-CD1 4.29Å; L103-L115 PolarHBondContact N-O 3.24Å; L103-L115 PolarHBondContact O-N 2.81Å; D105-L115 HydrophobicContact CB-CD1 4.18Å; L115-F123 HydrophobicContact CB-CE2 3.76Å; L115-F123 HydrophobicContact CB-CZ 4.05Å; L115-F123 HydrophobicContact CD2-CZ 4.24Å; L115-P124 HydrophobicContact CG-CB 4.24Å
116	D	98.5	Very high	89.7	Confident	1 Å²	1	40.8 Å²	40.8	1%	0.005	21%	0.21	C	C	.	.			trans	-100.9	117.3	171.2	-179.5	-3.5	0	0	0	108.7	Q84 H100 I102 V114 D118 T119 F123 Y130	Q84-D116 PolarHBondContact NE2-OD2 2.92Å; H100-D116 IonicContact CD2-OD2 3.24Å; H100-D116 IonicContact CE1-OD1 2.82Å; H100-D116 VanDerWaalsContact NE2-CG 3.28Å; H100-D116 IonicContact NE2-OD1 3.56Å; H100-D116 PolarHBondContact NE2-OD1 2.82Å; H100-D116 IonicContact NE2-OD2 3.74Å; H100-D116 PolarHBondContact NE2-OD2 2.91Å; I102-D116 HydrophobicContact CG2-CB 3.75Å; V114-D116 HydrophobicContact CG1-CB 4.25Å; D116-D118 VanDerWaalsContact C-N 3.29Å; D116-D118 WeakPolarHBondContact OD1-CA 3.23Å; D116-D118 PolarHBondContact OD1-N 2.85Å; D116-T119 HydrophobicContact CB-CG2 3.97Å; D116-T119 WeakPolarHBondContact O-CG2 3.33Å; D116-T119 PolarHBondContact OD1-N 3.11Å; D116-F123 WeakPolarHBondContact O-CD2 3.46Å; D116-Y130 HydrophobicContact CB-CE2 3.6Å; D116-Y130 VanDerWaalsContact OD2-CE2 3.29Å; D116-Y130 WeakPolarHBondContact OD2-CE2 3.12Å; D116-Y130 PolarHBondContact OD2-OH 2.84Å
117	L	98.5	Very high	90.2	Very high	4 Å²	4	37.7 Å²	37.7	2%	0.021	20%	0.196	C	C	.	.	S	Bend	trans	-76.4	-18.5	180	-74.4	168.5	0	0	0	112.7	R16 C19 Y21 N29 R85 F123	R16-L117 HydrophobicContact CG-CD2 4.44Å; C19-L117 HydrophobicContact CB-CD1 4.25Å; C19-L117 HydrophobicContact CB-CD2 3.7Å; Y21-L117 HydrophobicContact CD2-CB 3.85Å; Y21-L117 HydrophobicContact CE2-CB 4.13Å; N29-L117 HydrophobicContact CB-CD1 3.76Å; R85-L117 PolarHBondContact NH1-O 3.19Å; R85-L117 PolarHBondContact NH2-O 2.99Å; L117-F123 HydrophobicContact CD2-CD2 4.41Å; L117-F123 HydrophobicContact CD2-CE1 4.41Å; L117-F123 HydrophobicContact CD2-CE2 3.61Å; L117-F123 HydrophobicContact CD2-CZ 3.6Å; L117-F123 HydrophobicContact CG-CE2 4.03Å; L117-F123 HydrophobicContact CG-CZ 4.3Å
118	D	98.5	Very high	91.4	Very high	3 Å²	3	38 Å²	38	2%	0.016	20%	0.199	C	C	.	.	S	Bend	trans	-94.3	-9.5	179.4	-75.3	-81.3	0	0	0	113	Y21 Q84 R85 W97 H100 D116	Y21-D118 PolarHBondContact OH-OD1 2.99Å; Q84-D118 CarbonylContact C-O 3.42Å; Q84-D118 WeakPolarHBondContact CA-O 3.38Å; R85-D118 VanDerWaalsContact CG-O 3.3Å; R85-D118 WeakPolarHBondContact CG-O 3.28Å; R85-D118 PolarHBondContact N-O 3.44Å; W97-D118 HydrophobicContact CZ2-CB 4.26Å; H100-D118 IonicContact CE1-OD2 3.32Å; D116-D118 VanDerWaalsContact C-N 3.29Å; D116-D118 WeakPolarHBondContact OD1-CA 3.23Å; D116-D118 PolarHBondContact OD1-N 2.85Å
119	T	98.6	Very high	93.1	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.006	21%	0.211	C	C	.	.	B	Isolated β-bridge	trans	-70.8	151	179.3	-163.9	0	0	0	0	113.5	R16 K83 D116 L121	R16-T119 VanDerWaalsContact NH2-CG2 3.25Å; R16-T119 PolarHBondContact NH2-O 2.86Å; K83-T119 CarbonylContact O-C 3.55Å; K83-T119 WeakPolarHBondContact O-CA 3.36Å; K83-T119 PolarHBondContact O-OG1 3.26Å; D116-T119 HydrophobicContact CB-CG2 3.97Å; D116-T119 WeakPolarHBondContact O-CG2 3.33Å; D116-T119 PolarHBondContact OD1-N 3.11Å; T119-L121 HydrophobicContact CG2-CB 4.03Å; T119-L121 WeakPolarHBondContact OG1-CB 3.24Å; T119-L121 PolarHBondContact OG1-N 2.8Å; T119-L121 VanDerWaalsContact OG1-N 3.11Å
120	T	98.3	Very high	94.8	Very high	79 Å²	79	37.7 Å²	37.7	49%	0.485	20%	0.202	S	C	.	.	S	Bend	trans	-93	-5	166.6	66.6	0	0	0	0	112.5	K83 R85	K83-T120 WeakPolarHBondContact CA-OG1 3.37Å; K83-T120 WeakPolarHBondContact CB-OG1 3.29Å; K83-T120 PolarHBondContact O-N 3.3Å; K83-T120 PolarHBondContact O-OG1 3Å; R85-T120 HydrophobicContact CG-CG2 4.15Å
121	L	98.3	Very high	96	Very high	30 Å²	30	28.4 Å²	28.4	16%	0.157	16%	0.159	C	C	.	.	S	Bend	trans	-68.2	-179.4	168.5	-62.1	174.3	0	0	0	110.7	R16 K83 T119 C125 Y130 Y133 A134	R16-L121 PolarHBondContact NH1-O 3.4Å; R16-L121 PolarHBondContact NH2-O 2.6Å; K83-L121 HydrophobicContact CB-CD1 4.4Å; K83-L121 HydrophobicContact CB-CD2 4.21Å; K83-L121 HydrophobicContact CB-CG 3.89Å; K83-L121 HydrophobicContact CD-CD2 4.49Å; K83-L121 HydrophobicContact CG-CD2 3.99Å; K83-L121 HydrophobicContact CG-CG 4.17Å; T119-L121 HydrophobicContact CG2-CB 4.03Å; T119-L121 WeakPolarHBondContact OG1-CB 3.24Å; T119-L121 PolarHBondContact OG1-N 2.8Å; T119-L121 VanDerWaalsContact OG1-N 3.11Å; L121-C125 HydrophobicContact CB-CB 4.35Å; L121-Y130 HydrophobicContact CD1-CD2 4.2Å; L121-Y133 HydrophobicContact CD2-CD2 4.43Å; L121-A134 HydrophobicContact CD1-CB 4.05Å
122	S	96.5	Very high	96.5	Very high	68 Å²	68	31.6 Å²	31.6	48%	0.476	17%	0.167	S	C	.	.			trans	-56.8	156.5	170.6	46.3	0	0	0	0	111.4	P124 C125	S122-P124 CarbonylContact C-O 3.44Å; S122-P124 VanDerWaalsContact C-O 3.26Å; S122-P124 WeakPolarHBondContact CB-O 3.47Å; S122-P124 CarbonylContact O-C 3.54Å; S122-P124 PolarHBondContact OG-O 2.99Å; S122-C125 WeakPolarHBondContact O-CB 3.45Å; S122-C125 PolarHBondContact O-N 3.14Å
123	F	95.6	Very high	96.7	Very high	33 Å²	33	34.7 Å²	34.7	15%	0.145	18%	0.176	C	C	.	.	S	Bend	trans	-131.1	113.8	172.5	-175.6	-90	0	0	0	110.4	V13 R16 L33 L115 D116 L117	V13-F123 HydrophobicContact CG1-CE1 4.35Å; R16-F123 HydrophobicContact CB-CB 4.1Å; R16-F123 HydrophobicContact CB-CD1 3.58Å; R16-F123 HydrophobicContact CB-CE1 4.15Å; R16-F123 HydrophobicContact CB-CG 3.91Å; R16-F123 HydrophobicContact CG-CB 4.36Å; R16-F123 HydrophobicContact CG-CD1 4.3Å; R16-F123 HydrophobicContact CG-CG 4.2Å; R16-F123 VanDerWaalsContact CZ-CB 3.5Å; R16-F123 VanDerWaalsContact NE-CB 3.32Å; L33-F123 HydrophobicContact CD2-CZ 4.23Å; L115-F123 HydrophobicContact CB-CE2 3.76Å; L115-F123 HydrophobicContact CB-CZ 4.05Å; L115-F123 HydrophobicContact CD2-CZ 4.24Å; D116-F123 WeakPolarHBondContact O-CD2 3.46Å; L117-F123 HydrophobicContact CD2-CD2 4.41Å; L117-F123 HydrophobicContact CD2-CE1 4.41Å; L117-F123 HydrophobicContact CD2-CE2 3.61Å; L117-F123 HydrophobicContact CD2-CZ 3.6Å; L117-F123 HydrophobicContact CG-CE2 4.03Å; L117-F123 HydrophobicContact CG-CZ 4.3Å
124	P	94.3	Very high	96.9	Very high	26 Å²	26	34.2 Å²	34.2	17%	0.169	17%	0.174	C	C	.	.	S	Bend	cis	-64	162.4	-8.9	18.4	-19.3	0	0	0	113.1	Q113 L115 S122	Q113-P124 HydrophobicContact CB-CB 4.02Å; Q113-P124 HydrophobicContact CG-CB 4.39Å; L115-P124 HydrophobicContact CG-CB 4.24Å; S122-P124 CarbonylContact C-O 3.44Å; S122-P124 VanDerWaalsContact C-O 3.26Å; S122-P124 WeakPolarHBondContact CB-O 3.47Å; S122-P124 CarbonylContact O-C 3.54Å; S122-P124 PolarHBondContact OG-O 2.99Å
125	C	95.1	Very high	96.8	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.007	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	149.3	171.7	-168.6	0	0	0	0	109.3	Q113 V114 L121 S122 Y130	Q113-C125 CarbonylContact C-O 3.59Å; Q113-C125 WeakPolarHBondContact CA-O 3.48Å; V114-C125 PolarHBondContact N-O 3.36Å; V114-C125 PolarHBondContact O-N 2.97Å; L121-C125 HydrophobicContact CB-CB 4.35Å; S122-C125 WeakPolarHBondContact O-CB 3.45Å; S122-C125 PolarHBondContact O-N 3.14Å; C125-Y130 HydrophobicContact CB-CD2 4.5Å
126	S	94.3	Very high	96.7	Very high	22 Å²	22	37 Å²	37	15%	0.154	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	149.3	168.2	69.2	0	0	0	0	109.9	D128 D129 Y130	S126-D128 VanDerWaalsContact C-N 3.25Å; S126-D128 PolarHBondContact O-N 3.48Å; S126-D129 PolarHBondContact O-N 2.93Å; S126-D129 VanDerWaalsContact OG-CB 3.28Å; S126-D129 WeakPolarHBondContact OG-CB 3.3Å; S126-D129 PolarHBondContact OG-N 2.85Å; S126-D129 VanDerWaalsContact OG-N 3.16Å; S126-D129 PolarHBondContact OG-OD2 2.86Å; S126-Y130 WeakPolarHBondContact O-CB 3.3Å; S126-Y130 PolarHBondContact O-N 3.12Å
127	F	95.7	Very high	95.9	Very high	4 Å²	4	40.3 Å²	40.3	2%	0.018	20%	0.202	C	C	.	.	H	α-helix	trans	-57.1	-42.8	176	-173.6	-99	0	0	0	111.5	V104 V112 V114 D129 Y130 V131 F217 L218 F221 M222	V104-F127 HydrophobicContact CG1-CD2 4.16Å; V104-F127 HydrophobicContact CG1-CE2 4.43Å; V112-F127 HydrophobicContact CB-CB 3.79Å; V112-F127 HydrophobicContact CB-CG 4.36Å; V112-F127 HydrophobicContact CG1-CB 3.83Å; V112-F127 HydrophobicContact CG1-CD2 3.97Å; V112-F127 HydrophobicContact CG1-CG 4.06Å; V112-F127 PolarHBondContact O-N 3.14Å; V114-F127 HydrophobicContact CG2-CD2 3.9Å; F127-D129 PolarHBondContact O-N 2.86Å; F127-Y130 PolarHBondContact O-N 3.29Å; F127-V131 HydrophobicContact CD1-CG2 3.91Å; F127-V131 HydrophobicContact CE1-CG2 3.54Å; F127-V131 HydrophobicContact CE2-CG2 4.25Å; F127-V131 HydrophobicContact CG-CG2 4.41Å; F127-V131 HydrophobicContact CZ-CG2 3.72Å; F127-V131 WeakPolarHBondContact O-CB 3.21Å; F127-V131 WeakPolarHBondContact O-CG2 3.35Å; F127-V131 PolarHBondContact O-N 3.07Å; F127-F217 AromaticContact CE2-CE1 3.63Å; F127-F217 HydrophobicContact CE2-CE1 3.63Å; F127-F217 HydrophobicContact CE2-CE2 4.08Å; F127-F217 AromaticContact CE2-CZ 3.38Å; F127-F217 HydrophobicContact CE2-CZ 3.38Å; F127-F217 HydrophobicContact CZ-CD1 4.01Å; F127-F217 AromaticContact CZ-CE1 3.46Å; F127-F217 HydrophobicContact CZ-CE1 3.46Å; F127-F217 VanDerWaalsContact CZ-CE1 3.46Å; F127-F217 HydrophobicContact CZ-CE2 4.42Å; F127-F217 AromaticContact CZ-CZ 3.72Å; F127-F217 HydrophobicContact CZ-CZ 3.72Å; F127-L218 HydrophobicContact CE1-CD2 4.06Å; F127-L218 HydrophobicContact CZ-CD2 4.29Å; F127-F221 HydrophobicContact CD1-CB 4.3Å; F127-F221 HydrophobicContact CD2-CB 3.99Å; F127-F221 HydrophobicContact CD2-CG 4.35Å; F127-F221 HydrophobicContact CE1-CB 3.84Å; F127-F221 HydrophobicContact CE2-CB 3.5Å; F127-F221 AromaticContact CE2-CD2 3.68Å; F127-F221 HydrophobicContact CE2-CD2 3.68Å; F127-F221 AromaticContact CE2-CG 3.75Å; F127-F221 HydrophobicContact CE2-CG 3.75Å; F127-F221 HydrophobicContact CG-CB 4.36Å; F127-F221 HydrophobicContact CZ-CB 3.44Å; F127-F221 VanDerWaalsContact CZ-CB 3.44Å; F127-F221 AromaticContact CZ-CD2 3.95Å; F127-F221 HydrophobicContact CZ-CD2 3.95Å; F127-F221 HydrophobicContact CZ-CG 4.06Å; F127-M222 HydrophobicContact CD1-CE 3.95Å; F127-M222 HydrophobicContact CD1-CG 4.04Å; F127-M222 HydrophobicContact CE1-CE 3.81Å; F127-M222 HydrophobicContact CE1-CG 3.76Å; F127-M222 HydrophobicContact CE1-SD 4.39Å
128	D	94.3	Very high	95.1	Very high	102 Å²	102	41 Å²	41	55%	0.545	21%	0.205	S	C	.	.	H	α-helix	trans	-60.5	-46.1	178.6	-69.5	-10.6	0	0	0	112.6	S126 R132	S126-D128 VanDerWaalsContact C-N 3.25Å; S126-D128 PolarHBondContact O-N 3.48Å; D128-R132 WeakPolarHBondContact O-CB 3.41Å; D128-R132 PolarHBondContact O-N 2.98Å
129	D	96.7	Very high	94.2	Very high	62 Å²	62	48.2 Å²	48.2	33%	0.332	24%	0.237	S	C	.	.	H	α-helix	trans	-68	-38	178	-79.5	-15.5	0	0	0	111.4	S126 F127 R132 Y133	S126-D129 PolarHBondContact O-N 2.93Å; S126-D129 VanDerWaalsContact OG-CB 3.28Å; S126-D129 WeakPolarHBondContact OG-CB 3.3Å; S126-D129 PolarHBondContact OG-N 2.85Å; S126-D129 VanDerWaalsContact OG-N 3.16Å; S126-D129 PolarHBondContact OG-OD2 2.86Å; F127-D129 PolarHBondContact O-N 2.86Å; D129-R132 PolarHBondContact O-N 3.03Å; D129-Y133 HydrophobicContact CB-CD2 3.96Å; D129-Y133 HydrophobicContact CB-CE2 4.17Å; D129-Y133 WeakPolarHBondContact O-CB 3.31Å; D129-Y133 VanDerWaalsContact O-CD2 3.23Å; D129-Y133 WeakPolarHBondContact O-CD2 3.4Å; D129-Y133 PolarHBondContact O-N 3.04Å; D129-Y133 WeakPolarHBondContact OD1-CE2 3.33Å
130	Y	98.1	Very high	93.2	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.269	C	S	.	.	I	π-helix	trans	-65.4	-46.8	177.1	-163.8	-93.6	0	0	0	111.5	I102 V114 D116 L121 C125 S126 F127 R132 A134 L135	I102-Y130 HydrophobicContact CD1-CD1 4.46Å; I102-Y130 HydrophobicContact CD1-CE1 3.82Å; V114-Y130 HydrophobicContact CB-CD1 4.38Å; V114-Y130 HydrophobicContact CB-CD2 4.1Å; V114-Y130 HydrophobicContact CB-CG 3.9Å; V114-Y130 HydrophobicContact CG1-CD1 3.91Å; V114-Y130 HydrophobicContact CG1-CD2 3.67Å; V114-Y130 HydrophobicContact CG1-CE1 4.07Å; V114-Y130 HydrophobicContact CG1-CE2 3.85Å; V114-Y130 HydrophobicContact CG1-CG 3.71Å; V114-Y130 HydrophobicContact CG2-CD1 4.13Å; V114-Y130 HydrophobicContact CG2-CG 3.95Å; D116-Y130 HydrophobicContact CB-CE2 3.6Å; D116-Y130 VanDerWaalsContact OD2-CE2 3.29Å; D116-Y130 WeakPolarHBondContact OD2-CE2 3.12Å; D116-Y130 PolarHBondContact OD2-OH 2.84Å; L121-Y130 HydrophobicContact CD1-CD2 4.2Å; C125-Y130 HydrophobicContact CB-CD2 4.5Å; S126-Y130 WeakPolarHBondContact O-CB 3.3Å; S126-Y130 PolarHBondContact O-N 3.12Å; F127-Y130 PolarHBondContact O-N 3.29Å; Y130-R132 PolarHBondContact O-N 2.77Å; Y130-A134 HydrophobicContact CD1-CB 4.29Å; Y130-A134 HydrophobicContact CD2-CB 3.86Å; Y130-A134 HydrophobicContact CE1-CB 4.22Å; Y130-A134 HydrophobicContact CE2-CB 3.78Å; Y130-A134 HydrophobicContact CG-CB 4.11Å; Y130-A134 CarbonylContact O-C 3.39Å; Y130-A134 WeakPolarHBondContact O-CA 3.5Å; Y130-A134 VanDerWaalsContact O-CB 3.25Å; Y130-A134 WeakPolarHBondContact O-CB 3.37Å; Y130-A134 PolarHBondContact O-N 2.85Å; Y130-L135 HydrophobicContact CD1-CD1 4.04Å; Y130-L135 HydrophobicContact CD1-CD2 4.5Å; Y130-L135 HydrophobicContact CD1-CG 3.86Å; Y130-L135 HydrophobicContact CE1-CD1 4.1Å; Y130-L135 HydrophobicContact CE1-CD2 3.85Å; Y130-L135 HydrophobicContact CE1-CG 3.72Å; Y130-L135 PolarHBondContact O-N 3.49Å
131	V	96.6	Very high	92.5	Very high	17 Å²	17	50.9 Å²	50.9	10%	0.103	25%	0.252	C	S	.	.	I	π-helix	trans	-59.5	-47.1	174.3	166.5	0	0	0	0	110.6	F127 L135 R136 W214 F217 L218	F127-V131 HydrophobicContact CD1-CG2 3.91Å; F127-V131 HydrophobicContact CE1-CG2 3.54Å; F127-V131 HydrophobicContact CE2-CG2 4.25Å; F127-V131 HydrophobicContact CG-CG2 4.41Å; F127-V131 HydrophobicContact CZ-CG2 3.72Å; F127-V131 WeakPolarHBondContact O-CB 3.21Å; F127-V131 WeakPolarHBondContact O-CG2 3.35Å; F127-V131 PolarHBondContact O-N 3.07Å; V131-L135 HydrophobicContact CG2-CD1 4.39Å; V131-R136 WeakPolarHBondContact O-CA 3.4Å; V131-R136 PolarHBondContact O-N 2.84Å; V131-W214 HydrophobicContact CG1-CH2 3.84Å; V131-W214 HydrophobicContact CG1-CZ2 4.02Å; V131-F217 HydrophobicContact CG2-CE1 4.24Å; V131-L218 HydrophobicContact CG1-CD2 3.84Å; V131-L218 HydrophobicContact CG2-CD2 3.83Å
132	R	96	Very high	91.7	Very high	175 Å²	175	52.8 Å²	52.8	66%	0.66	27%	0.268	S	S	*	.	I	π-helix	trans	-68.6	-46.4	-175.8	-177	175.8	-176.1	166.9	2.1	113.3	D128 D129 Y130	D128-R132 WeakPolarHBondContact O-CB 3.41Å; D128-R132 PolarHBondContact O-N 2.98Å; D129-R132 PolarHBondContact O-N 3.03Å; Y130-R132 PolarHBondContact O-N 2.77Å
133	Y	97.6	Very high	91	Very high	90 Å²	90	53.8 Å²	53.8	35%	0.353	28%	0.275	S	S	.	.	I	π-helix	trans	-101.9	-35.2	-169.1	-60.2	-62	0	0	0	113.9	W82 L121 D129 R136	W82-Y133 VanDerWaalsContact CB-O 3.31Å; W82-Y133 WeakPolarHBondContact CB-O 3.49Å; L121-Y133 HydrophobicContact CD2-CD2 4.43Å; D129-Y133 HydrophobicContact CB-CD2 3.96Å; D129-Y133 HydrophobicContact CB-CE2 4.17Å; D129-Y133 WeakPolarHBondContact O-CB 3.31Å; D129-Y133 VanDerWaalsContact O-CD2 3.23Å; D129-Y133 WeakPolarHBondContact O-CD2 3.4Å; D129-Y133 PolarHBondContact O-N 3.04Å; D129-Y133 WeakPolarHBondContact OD1-CE2 3.33Å; Y133-R136 PolarHBondContact O-NE 3.27Å
134	A	98.1	Very high	90.4	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	29%	0.287	C	S	.	.	I	π-helix	trans	-93.9	-55.4	-176.5	0	0	0	0	0	112	I81 W82 L121 Y130	I81-A134 HydrophobicContact CG2-CB 4.1Å; W82-A134 PolarHBondContact N-O 2.83Å; W82-A134 WeakPolarHBondContact O-CA 3.5Å; W82-A134 WeakPolarHBondContact O-CB 3.37Å; L121-A134 HydrophobicContact CD1-CB 4.05Å; Y130-A134 HydrophobicContact CD1-CB 4.29Å; Y130-A134 HydrophobicContact CD2-CB 3.86Å; Y130-A134 HydrophobicContact CE1-CB 4.22Å; Y130-A134 HydrophobicContact CE2-CB 3.78Å; Y130-A134 HydrophobicContact CG-CB 4.11Å; Y130-A134 CarbonylContact O-C 3.39Å; Y130-A134 WeakPolarHBondContact O-CA 3.5Å; Y130-A134 VanDerWaalsContact O-CB 3.25Å; Y130-A134 WeakPolarHBondContact O-CB 3.37Å; Y130-A134 PolarHBondContact O-N 2.85Å
135	L	96.6	Very high	90	Very high	0 Å²	0	58 Å²	58	0%	0	29%	0.291	C	S	.	.	I	π-helix	trans	-75.8	-46.7	179.7	-61.7	179	0	0	0	111.3	I54 I81 Y130 V131 R147 F149 W214 F217	I54-L135 HydrophobicContact CD1-CD2 3.87Å; I81-L135 HydrophobicContact CG1-CD2 4.44Å; Y130-L135 HydrophobicContact CD1-CD1 4.04Å; Y130-L135 HydrophobicContact CD1-CD2 4.5Å; Y130-L135 HydrophobicContact CD1-CG 3.86Å; Y130-L135 HydrophobicContact CE1-CD1 4.1Å; Y130-L135 HydrophobicContact CE1-CD2 3.85Å; Y130-L135 HydrophobicContact CE1-CG 3.72Å; Y130-L135 PolarHBondContact O-N 3.49Å; V131-L135 HydrophobicContact CG2-CD1 4.39Å; L135-R147 PolarHBondContact O-NH1 2.78Å; L135-F149 HydrophobicContact CD1-CE1 4.03Å; L135-F149 HydrophobicContact CD1-CZ 4.45Å; L135-W214 HydrophobicContact CB-CH2 3.94Å; L135-W214 HydrophobicContact CB-CZ3 3.82Å; L135-W214 HydrophobicContact CD1-CZ3 3.99Å; L135-F217 HydrophobicContact CD1-CD1 4.41Å; L135-F217 HydrophobicContact CD1-CE1 3.55Å; L135-F217 HydrophobicContact CD1-CZ 4.09Å
136	R	94.3	Very high	89.8	Confident	60 Å²	60	62.5 Å²	62.5	23%	0.226	31%	0.31	C	S	.	.			trans	59.4	168.3	-171.5	-48	-176.5	179.6	-160.7	-8.5	112.9	W82 E92 V131 Y133 E138 R147 W214	W82-R136 VanDerWaalsContact CD1-NH2 3.28Å; W82-R136 VanDerWaalsContact CD2-CD 3.47Å; W82-R136 HydrophobicContact CD2-CG 4.21Å; W82-R136 HydrophobicContact CE3-CB 4.37Å; W82-R136 HydrophobicContact CE3-CG 3.84Å; W82-R136 HydrophobicContact CZ3-CB 4.3Å; W82-R136 HydrophobicContact CZ3-CG 4.24Å; E92-R136 IonicContact OE1-NH2 3.38Å; E92-R136 PolarHBondContact OE1-NH2 2.85Å; E92-R136 IonicContact OE2-CZ 3.39Å; E92-R136 IonicContact OE2-NH1 3.17Å; E92-R136 PolarHBondContact OE2-NH1 3.35Å; E92-R136 VanDerWaalsContact OE2-NH1 3.17Å; E92-R136 IonicContact OE2-NH2 2.72Å; E92-R136 PolarHBondContact OE2-NH2 2.73Å; V131-R136 WeakPolarHBondContact O-CA 3.4Å; V131-R136 PolarHBondContact O-N 2.84Å; Y133-R136 PolarHBondContact O-NE 3.27Å; R136-E138 PolarHBondContact O-N 3.33Å; R136-R147 PolarHBondContact O-NH2 3.49Å; R136-W214 WeakPolarHBondContact O-CH2 3.24Å
137	D	82.8	Confident	89.8	Confident	69 Å²	69	61.6 Å²	61.6	37%	0.369	30%	0.303	S	S	.	.			trans	-65.4	127.5	-176.9	-175.2	10.6	0	0	0	112.9	F139 T140	D137-F139 VanDerWaalsContact C-N 3.28Å; D137-F139 PolarHBondContact O-N 3.41Å; D137-F139 WeakPolarHBondContact OD1-CD2 3.41Å; D137-F139 PolarHBondContact OD1-N 2.91Å; D137-F139 WeakPolarHBondContact OD2-CD2 3.39Å; D137-T140 PolarHBondContact O-N 3.45Å; D137-T140 PolarHBondContact O-OG1 2.94Å
138	E	80.8	Confident	89.8	Confident	18 Å²	18	62 Å²	62	8%	0.084	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-70	-21.5	177.4	-172.8	167.9	-111.2	0	0	113.2	R136 T140 L141 K146 R147 W214	R136-E138 PolarHBondContact O-N 3.33Å; E138-T140 PolarHBondContact O-N 2.89Å; E138-T140 VanDerWaalsContact O-N 3.11Å; E138-L141 HydrophobicContact CG-CD1 4.43Å; E138-L141 WeakPolarHBondContact O-CB 3.36Å; E138-L141 PolarHBondContact O-N 3.12Å; E138-K146 HydrophobicContact CG-CB 4.41Å; E138-K146 HydrophobicContact CG-CD 4.41Å; E138-K146 HydrophobicContact CG-CG 3.83Å; E138-K146 WeakPolarHBondContact OE1-CA 3.46Å; E138-K146 WeakPolarHBondContact OE1-CB 3.37Å; E138-R147 PolarHBondContact OE1-N 3.41Å; E138-W214 HydrophobicContact CB-CB 4.27Å; E138-W214 HydrophobicContact CB-CD2 4.13Å; E138-W214 HydrophobicContact CB-CG 3.99Å; E138-W214 WeakPolarHBondContact OE2-CB 3.13Å
139	F	79	Confident	90	Very high	156 Å²	156	57.1 Å²	57.1	68%	0.684	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-64.4	-18.6	178.4	-60.4	-61.5	0	0	0	113.2	D137	D137-F139 VanDerWaalsContact C-N 3.28Å; D137-F139 PolarHBondContact O-N 3.41Å; D137-F139 WeakPolarHBondContact OD1-CD2 3.41Å; D137-F139 PolarHBondContact OD1-N 2.91Å; D137-F139 WeakPolarHBondContact OD2-CD2 3.39Å
140	T	78.2	Confident	90.1	Very high	111 Å²	111	54.1 Å²	54.1	68%	0.681	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-88.2	-11.1	174.8	66.1	0	0	0	0	113.7	D137 E138	D137-T140 PolarHBondContact O-N 3.45Å; D137-T140 PolarHBondContact O-OG1 2.94Å; E138-T140 PolarHBondContact O-N 2.89Å; E138-T140 VanDerWaalsContact O-N 3.11Å
141	L	82.7	Confident	90.1	Very high	25 Å²	25	54.4 Å²	54.4	13%	0.131	27%	0.265	C	S	.	.	S	Bend	trans	-88.5	136.8	-178.4	-64	-177.8	0	0	0	110.7	P80 W82 E138	P80-L141 HydrophobicContact CG-CD1 4.01Å; P80-L141 HydrophobicContact CG-CD2 3.94Å; W82-L141 HydrophobicContact CH2-CD2 4.15Å; E138-L141 HydrophobicContact CG-CD1 4.43Å; E138-L141 WeakPolarHBondContact O-CB 3.36Å; E138-L141 PolarHBondContact O-N 3.12Å
142	S	83.1	Confident	90.2	Very high	69 Å²	69	53.6 Å²	53.6	48%	0.483	26%	0.26	S	S	.	.			trans	-61	153.8	167.1	-51.8	0	0	0	0	110.1	E144 Y145	S142-E144 PolarHBondContact O-N 2.83Å; S142-Y145 PolarHBondContact O-N 3.35Å
143	S	81.4	Confident	90.2	Very high	90 Å²	90	47.7 Å²	47.7	63%	0.629	24%	0.244	S	C	*	.	G	3₁₀ helix	trans	-54.8	-28.9	-174	50.9	0	0	0	0	114.3	Y145 K146	S143-Y145 VanDerWaalsContact C-N 3.3Å; S143-Y145 PolarHBondContact O-N 3.21Å; S143-K146 PolarHBondContact O-N 3.23Å
144	E	82	Confident	90.2	Very high	84 Å²	84	43.5 Å²	43.5	39%	0.393	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-70	-22.1	177.3	69.5	-166.9	148.9	0	0	114.3	N56 M64 S142	N56-E144 PolarHBondContact ND2-O 3.01Å; M64-E144 HydrophobicContact CE-CB 4.11Å; S142-E144 PolarHBondContact O-N 2.83Å
145	Y	86.9	Confident	90	Very high	64 Å²	64	45.6 Å²	45.6	25%	0.251	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-98.5	2.4	178.1	-59.7	-72.5	0	0	0	112.9	N56 Q78 P80 S142 S143 R147	N56-Y145 VanDerWaalsContact ND2-CA 3.31Å; N56-Y145 WeakPolarHBondContact ND2-CA 3.4Å; Q78-Y145 HydrophobicContact CB-CD1 3.8Å; Q78-Y145 HydrophobicContact CB-CE1 3.76Å; Q78-Y145 PolarHBondContact OE1-OH 3.36Å; P80-Y145 HydrophobicContact CG-CD1 4.3Å; P80-Y145 HydrophobicContact CG-CG 4.48Å; S142-Y145 PolarHBondContact O-N 3.35Å; S143-Y145 VanDerWaalsContact C-N 3.3Å; S143-Y145 PolarHBondContact O-N 3.21Å; Y145-R147 PolarHBondContact O-N 3.01Å
146	K	90.6	Very high	90	Very high	94 Å²	94	49.4 Å²	49.4	41%	0.409	26%	0.255	S	S	.	.	P	Polyproline II helix	trans	-67.8	132.9	177.7	-72.2	-169.3	173.6	-166.6	0	110.6	N56 P57 E138 S143	N56-K146 PolarHBondContact ND2-O 3.49Å; N56-K146 PolarHBondContact OD1-O 3Å; P57-K146 WeakPolarHBondContact CD-O 3.39Å; E138-K146 HydrophobicContact CG-CB 4.41Å; E138-K146 HydrophobicContact CG-CD 4.41Å; E138-K146 HydrophobicContact CG-CG 3.83Å; E138-K146 WeakPolarHBondContact OE1-CA 3.46Å; E138-K146 WeakPolarHBondContact OE1-CB 3.37Å; S143-K146 PolarHBondContact O-N 3.23Å
147	R	94.2	Very high	90.2	Very high	3 Å²	3	46.6 Å²	46.6	1%	0.011	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-98.9	138.9	-169.5	-66.8	157.4	-67.3	-171.8	5	110.1	I54 S55 V79 L135 R136 E138 Y145 F149	I54-R147 HydrophobicContact CG2-CB 4.02Å; I54-R147 HydrophobicContact CG2-CG 3.99Å; S55-R147 CarbonylContact O-C 3.6Å; S55-R147 VanDerWaalsContact O-CA 3.31Å; S55-R147 WeakPolarHBondContact O-CA 3.42Å; V79-R147 HydrophobicContact CG1-CG 4.18Å; L135-R147 PolarHBondContact O-NH1 2.78Å; R136-R147 PolarHBondContact O-NH2 3.49Å; E138-R147 PolarHBondContact OE1-N 3.41Å; Y145-R147 PolarHBondContact O-N 3.01Å; R147-F149 HydrophobicContact CB-CE2 3.85Å; R147-F149 HydrophobicContact CB-CZ 3.84Å
148	L	95.9	Very high	90.8	Very high	12 Å²	12	45.4 Å²	45.4	6%	0.063	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	143.2	160.5	-67.1	179	0	0	0	108.4	S55 P57 L200 V203 V211 V212 D213	S55-L148 PolarHBondContact N-O 3.39Å; S55-L148 PolarHBondContact O-N 3.27Å; S55-L148 VanDerWaalsContact O-O 3.13Å; P57-L148 HydrophobicContact CB-CD1 4.48Å; P57-L148 HydrophobicContact CG-CD1 3.9Å; P57-L148 HydrophobicContact CG-CG 4.15Å; L148-L200 HydrophobicContact CB-CB 4.28Å; L148-L200 HydrophobicContact CB-CD1 3.9Å; L148-L200 HydrophobicContact CD1-CB 3.8Å; L148-V203 HydrophobicContact CD2-CG2 4.14Å; L148-V211 HydrophobicContact CB-CG1 3.89Å; L148-V211 HydrophobicContact CD1-CG1 4.06Å; L148-V211 HydrophobicContact CD2-CG1 4.28Å; L148-V211 HydrophobicContact CG-CG1 4.3Å; L148-V212 WeakPolarHBondContact CA-O 3.47Å; L148-D213 HydrophobicContact CD2-CB 4.5Å
149	F	98	Very high	91.5	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	112.1	-179.6	-57.1	-95.7	0	0	0	107.9	V52 I54 L135 R147 L151 V211 V212 W214 F217	V52-F149 HydrophobicContact CG1-CB 4.1Å; V52-F149 HydrophobicContact CG1-CD1 4.08Å; I54-F149 HydrophobicContact CD1-CD1 4.46Å; I54-F149 HydrophobicContact CD1-CE1 4.22Å; I54-F149 HydrophobicContact CG1-CD1 3.95Å; I54-F149 HydrophobicContact CG1-CE1 4.13Å; I54-F149 HydrophobicContact CG2-CD1 4.2Å; I54-F149 HydrophobicContact CG2-CE1 3.91Å; I54-F149 HydrophobicContact CG2-CZ 4.48Å; L135-F149 HydrophobicContact CD1-CE1 4.03Å; L135-F149 HydrophobicContact CD1-CZ 4.45Å; R147-F149 HydrophobicContact CB-CE2 3.85Å; R147-F149 HydrophobicContact CB-CZ 3.84Å; F149-L151 HydrophobicContact CB-CD2 4Å; F149-L151 PolarHBondContact O-N 3.42Å; F149-V211 CarbonylContact O-C 3.6Å; F149-V211 WeakPolarHBondContact O-CA 3.44Å; F149-V212 HydrophobicContact CB-CG2 3.91Å; F149-V212 PolarHBondContact N-O 2.89Å; F149-V212 PolarHBondContact O-N 2.97Å; F149-W214 HydrophobicContact CE2-CB 4.5Å; F149-W214 AromaticContact CE2-CE3 3.94Å; F149-W214 HydrophobicContact CE2-CE3 3.94Å; F149-W214 AromaticContact CZ-CE3 3.7Å; F149-W214 HydrophobicContact CZ-CE3 3.7Å; F149-W214 HydrophobicContact CZ-CZ3 4.02Å; F149-F217 HydrophobicContact CB-CB 4.13Å; F149-F217 HydrophobicContact CB-CD2 3.85Å; F149-F217 HydrophobicContact CB-CG 4.21Å; F149-F217 HydrophobicContact CD1-CB 4.24Å; F149-F217 HydrophobicContact CD1-CD1 4.04Å; F149-F217 AromaticContact CD1-CD2 3.58Å; F149-F217 HydrophobicContact CD1-CD2 3.58Å; F149-F217 HydrophobicContact CD1-CE1 4.27Å; F149-F217 AromaticContact CD1-CE2 3.83Å; F149-F217 HydrophobicContact CD1-CE2 3.83Å; F149-F217 AromaticContact CD1-CG 3.68Å; F149-F217 HydrophobicContact CD1-CG 3.68Å; F149-F217 HydrophobicContact CD1-CZ 4.16Å; F149-F217 HydrophobicContact CD2-CB 3.59Å; F149-F217 HydrophobicContact CD2-CD2 4.42Å; F149-F217 AromaticContact CD2-CG 3.96Å; F149-F217 HydrophobicContact CD2-CG 3.96Å; F149-F217 AromaticContact CE1-CD1 3.88Å; F149-F217 HydrophobicContact CE1-CD1 3.88Å; F149-F217 HydrophobicContact CE1-CD2 4.25Å; F149-F217 HydrophobicContact CE1-CE1 4.01Å; F149-F217 HydrophobicContact CE1-CE2 4.37Å; F149-F217 AromaticContact CE1-CG 4Å; F149-F217 HydrophobicContact CE1-CG 4Å; F149-F217 HydrophobicContact CE1-CZ 4.24Å; F149-F217 HydrophobicContact CE2-CB 4.05Å; F149-F217 HydrophobicContact CE2-CD1 4.4Å; F149-F217 HydrophobicContact CE2-CG 4.27Å; F149-F217 HydrophobicContact CG-CB 3.72Å; F149-F217 HydrophobicContact CG-CD1 4.38Å; F149-F217 AromaticContact CG-CD2 3.69Å; F149-F217 HydrophobicContact CG-CD2 3.69Å; F149-F217 HydrophobicContact CG-CE2 4.39Å; F149-F217 AromaticContact CG-CG 3.67Å; F149-F217 HydrophobicContact CG-CG 3.67Å; F149-F217 HydrophobicContact CZ-CD1 4.08Å; F149-F217 HydrophobicContact CZ-CG 4.29Å
150	H	98.5	Very high	92.3	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	104.9	175.1	-169.5	179.5	0	0	0	108.8	V52 V53 Q196 L197 L200 T206 V211	V52-H150 WeakPolarHBondContact CA-O 3.46Å; V53-H150 HydrophobicContact CB-CB 4.09Å; V53-H150 PolarHBondContact N-O 2.73Å; V53-H150 PolarHBondContact O-N 3.39Å; H150-Q196 PolarHBondContact CE1-O 3.49Å; H150-L197 PolarHBondContact ND1-O 3.47Å; H150-L200 HydrophobicContact CB-CD1 3.79Å; H150-L200 HydrophobicContact CB-CD2 4.2Å; H150-T206 PolarHBondContact CE1-OG1 2.77Å; H150-T206 PolarHBondContact NE2-OG1 2.93Å; H150-V211 HydrophobicContact CB-CG2 4.19Å
151	L	98.6	Very high	93.2	Very high	5 Å²	5	39 Å²	39	3%	0.026	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	108.1	-178.1	-45.4	-171.9	0	0	0	108.9	F50 V52 F149 G209 T210 V212 F217 H220 F221	F50-L151 HydrophobicContact CD1-CB 4.3Å; V52-L151 HydrophobicContact CB-CD2 4.45Å; V52-L151 HydrophobicContact CG1-CD2 3.94Å; V52-L151 HydrophobicContact CG2-CD2 3.78Å; F149-L151 HydrophobicContact CB-CD2 4Å; F149-L151 PolarHBondContact O-N 3.42Å; L151-G209 WeakPolarHBondContact O-CA 3.2Å; L151-T210 PolarHBondContact N-O 2.78Å; L151-T210 PolarHBondContact O-N 3.33Å; L151-V212 HydrophobicContact CD1-CG1 4.23Å; L151-V212 HydrophobicContact CD1-CG2 3.82Å; L151-V212 HydrophobicContact CD2-CG2 4.18Å; L151-V212 HydrophobicContact CG-CG2 3.93Å; L151-F217 HydrophobicContact CD2-CD2 4.04Å; L151-H220 HydrophobicContact CD1-CB 3.96Å; L151-F221 HydrophobicContact CD1-CE2 4.37Å; L151-F221 HydrophobicContact CD2-CE2 3.89Å; L151-F221 HydrophobicContact CD2-CZ 4.31Å
152	I	98.6	Very high	93.9	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	120.5	-175.3	-56.3	172.7	0	0	0	107.9	F50 V51 V53 A154 F156 Y157 L197 F208	F50-I152 CarbonylContact C-O 3.53Å; F50-I152 WeakPolarHBondContact CA-O 3.46Å; V51-I152 HydrophobicContact CB-CB 4.38Å; V51-I152 PolarHBondContact N-O 2.91Å; V51-I152 WeakPolarHBondContact O-CB 3.34Å; V51-I152 PolarHBondContact O-N 3.36Å; V53-I152 HydrophobicContact CG2-CD1 4.02Å; I152-A154 PolarHBondContact O-N 3.34Å; I152-F156 HydrophobicContact CG2-CD1 4.41Å; I152-Y157 HydrophobicContact CD1-CD2 4.21Å; I152-Y157 HydrophobicContact CG2-CD2 4.09Å; I152-Y157 HydrophobicContact CG2-CG 4.43Å; I152-L197 HydrophobicContact CD1-CD2 3.45Å; I152-L197 VanDerWaalsContact CD1-CD2 3.45Å; I152-F208 HydrophobicContact CD1-CB 4.01Å; I152-F208 HydrophobicContact CD1-CD1 4.31Å; I152-F208 HydrophobicContact CG1-CB 4.1Å; I152-F208 HydrophobicContact CG2-CB 4.34Å; I152-F208 HydrophobicContact CG2-CD1 4.28Å; I152-F208 WeakPolarHBondContact CG2-O 3.45Å
153	P	97.1	Very high	94.5	Very high	52 Å²	52	34.6 Å²	34.6	34%	0.338	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.4	129.8	173.3	-25.6	34.6	0	0	0	110.7	F50 E155 F156 Y157	F50-P153 HydrophobicContact CE1-CG 4.26Å; P153-E155 VanDerWaalsContact C-N 3.3Å; P153-E155 PolarHBondContact O-N 2.78Å; P153-F156 HydrophobicContact CB-CB 4.14Å; P153-F156 WeakPolarHBondContact O-CA 3.43Å; P153-F156 WeakPolarHBondContact O-CB 3.3Å; P153-F156 PolarHBondContact O-N 3.5Å; P153-Y157 PolarHBondContact O-N 3.16Å
154	A	96.3	Very high	95.1	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.008	16%	0.157	C	C	.	.	H	α-helix	trans	-64	-33.8	-170.5	0	0	0	0	0	112.9	V34 L45 L49 V51 L103 I152 F156 Y157 Y158	V34-A154 HydrophobicContact CG1-CB 4.33Å; V34-A154 HydrophobicContact CG2-CB 4.4Å; L45-A154 HydrophobicContact CD1-CB 3.99Å; L49-A154 HydrophobicContact CB-CB 3.97Å; L49-A154 HydrophobicContact CD2-CB 3.73Å; L49-A154 HydrophobicContact CG-CB 3.69Å; L49-A154 WeakPolarHBondContact O-CB 3.34Å; L49-A154 PolarHBondContact O-N 3.38Å; V51-A154 HydrophobicContact CG2-CB 4.45Å; L103-A154 HydrophobicContact CD1-CB 4.26Å; I152-A154 PolarHBondContact O-N 3.34Å; A154-F156 VanDerWaalsContact C-N 3.31Å; A154-F156 PolarHBondContact O-N 3.43Å; A154-Y157 PolarHBondContact O-N 3.2Å; A154-Y158 WeakPolarHBondContact O-CB 3.48Å; A154-Y158 PolarHBondContact O-N 2.78Å
155	E	95.2	Very high	95.8	Very high	44 Å²	44	29.8 Å²	29.8	21%	0.206	14%	0.141	C	C	.	.	H	α-helix	trans	-64.3	-37.9	172.9	-166.6	67.4	-164.5	0	0	111.4	R38 L45 P153 Y158 H159	R38-E155 IonicContact CZ-OE1 2.89Å; R38-E155 IonicContact NE-OE1 3.34Å; R38-E155 PolarHBondContact NE-OE1 2.92Å; R38-E155 IonicContact NE-OE2 3.52Å; R38-E155 PolarHBondContact NE-OE2 3.38Å; R38-E155 IonicContact NH2-OE1 2.78Å; R38-E155 PolarHBondContact NH2-OE1 3.01Å; L45-E155 HydrophobicContact CB-CB 4.24Å; L45-E155 WeakPolarHBondContact CB-OE2 3.36Å; L45-E155 WeakPolarHBondContact CD1-OE2 3.26Å; L45-E155 VanDerWaalsContact CG-OE2 3.29Å; L45-E155 WeakPolarHBondContact CG-OE2 3.11Å; L45-E155 PolarHBondContact N-OE2 3.24Å; P153-E155 VanDerWaalsContact C-N 3.3Å; P153-E155 PolarHBondContact O-N 2.78Å; E155-Y158 PolarHBondContact O-N 3.2Å; E155-H159 PolarHBondContact O-CD2 3.16Å; E155-H159 PolarHBondContact O-N 3.16Å; E155-H159 IonicContact OE1-CD2 3.69Å; E155-H159 IonicContact OE1-NE2 2.77Å; E155-H159 PolarHBondContact OE1-NE2 2.78Å
156	F	96.5	Very high	96	Very high	81 Å²	81	29.2 Å²	29.2	36%	0.355	15%	0.146	S	C	.	.	H	α-helix	trans	-67.4	-45	175.4	-168	-85.5	0	0	0	111	I152 P153 A154 Y158 H159 N160 P207 F208	I152-F156 HydrophobicContact CG2-CD1 4.41Å; P153-F156 HydrophobicContact CB-CB 4.14Å; P153-F156 WeakPolarHBondContact O-CA 3.43Å; P153-F156 WeakPolarHBondContact O-CB 3.3Å; P153-F156 PolarHBondContact O-N 3.5Å; A154-F156 VanDerWaalsContact C-N 3.31Å; A154-F156 PolarHBondContact O-N 3.43Å; F156-Y158 VanDerWaalsContact C-N 3.33Å; F156-Y158 PolarHBondContact O-N 3.05Å; F156-H159 PolarHBondContact O-N 3Å; F156-N160 HydrophobicContact CD1-CB 4.17Å; F156-N160 HydrophobicContact CE1-CB 3.8Å; F156-N160 HydrophobicContact CZ-CB 4.32Å; F156-N160 WeakPolarHBondContact O-CB 3.18Å; F156-N160 PolarHBondContact O-N 2.77Å; F156-N160 PolarHBondContact O-ND2 2.99Å; F156-P207 WeakPolarHBondContact CE1-O 3.3Å; F156-P207 WeakPolarHBondContact CZ-O 3.46Å; F156-F208 HydrophobicContact CD1-CD1 4.14Å; F156-F208 HydrophobicContact CE1-CB 4.41Å; F156-F208 AromaticContact CE1-CD1 3.94Å; F156-F208 HydrophobicContact CE1-CD1 3.94Å; F156-F208 HydrophobicContact CE1-CE1 4.36Å; F156-F208 HydrophobicContact CE1-CG 4.13Å
157	Y	97.6	Very high	96	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-59.8	-43.5	175.7	-170.2	-98.9	0	0	0	112	E27 H31 V51 I152 P153 A154 H159 N160 F161 L197	E27-Y157 PolarHBondContact O-OH 3.2Å; H31-Y157 HydrophobicContact CB-CE1 3.79Å; H31-Y157 AromaticContact ND1-CE1 3.98Å; V51-Y157 HydrophobicContact CB-CD1 4.28Å; V51-Y157 HydrophobicContact CB-CD2 4.15Å; V51-Y157 HydrophobicContact CB-CG 3.96Å; V51-Y157 HydrophobicContact CG1-CD1 4.25Å; V51-Y157 HydrophobicContact CG1-CD2 3.91Å; V51-Y157 HydrophobicContact CG1-CE1 4.2Å; V51-Y157 HydrophobicContact CG1-CE2 3.89Å; V51-Y157 HydrophobicContact CG1-CG 4.08Å; V51-Y157 HydrophobicContact CG2-CD1 3.63Å; V51-Y157 HydrophobicContact CG2-CD2 4.38Å; V51-Y157 HydrophobicContact CG2-CE1 4.19Å; V51-Y157 HydrophobicContact CG2-CG 3.71Å; I152-Y157 HydrophobicContact CD1-CD2 4.21Å; I152-Y157 HydrophobicContact CG2-CD2 4.09Å; I152-Y157 HydrophobicContact CG2-CG 4.43Å; P153-Y157 PolarHBondContact O-N 3.16Å; A154-Y157 PolarHBondContact O-N 3.2Å; Y157-H159 PolarHBondContact O-N 3.42Å; Y157-N160 PolarHBondContact O-N 3.05Å; Y157-F161 HydrophobicContact CD1-CB 4.06Å; Y157-F161 HydrophobicContact CD2-CB 4.07Å; Y157-F161 HydrophobicContact CE1-CB 3.88Å; Y157-F161 HydrophobicContact CE1-CD1 4.22Å; Y157-F161 HydrophobicContact CE1-CD2 4.31Å; Y157-F161 AromaticContact CE1-CG 3.85Å; Y157-F161 HydrophobicContact CE1-CG 3.85Å; Y157-F161 HydrophobicContact CE2-CB 3.85Å; Y157-F161 AromaticContact CE2-CD2 3.64Å; Y157-F161 HydrophobicContact CE2-CD2 3.64Å; Y157-F161 HydrophobicContact CE2-CE2 4.46Å; Y157-F161 AromaticContact CE2-CG 3.88Å; Y157-F161 HydrophobicContact CE2-CG 3.88Å; Y157-F161 HydrophobicContact CG-CB 4.18Å; Y157-F161 AromaticContact CZ-CD2 3.47Å; Y157-F161 VanDerWaalsContact CZ-CD2 3.47Å; Y157-F161 AromaticContact CZ-CG 3.47Å; Y157-F161 VanDerWaalsContact CZ-CG 3.47Å; Y157-F161 WeakPolarHBondContact O-CB 3.44Å; Y157-F161 PolarHBondContact O-N 3.46Å; Y157-F161 WeakPolarHBondContact OH-CD2 3.48Å; Y157-F161 WeakPolarHBondContact OH-CE2 3.48Å; Y157-F161 WeakPolarHBondContact OH-CG 3.42Å; Y157-L197 HydrophobicContact CE2-CD1 3.95Å
158	Y	95.9	Very high	95.9	Very high	44 Å²	44	27.9 Å²	27.9	17%	0.173	14%	0.141	C	C	.	.	H	α-helix	trans	-56.3	-37.2	176.8	172.8	-98.5	0	0	0	112.7	H31 V34 T35 R38 A154 E155 F156 H187	H31-Y158 PolarHBondContact CE1-O 2.87Å; V34-Y158 HydrophobicContact CG1-CD2 4.47Å; T35-Y158 HydrophobicContact CG2-CE2 4.07Å; R38-Y158 VanDerWaalsContact CD-CD1 3.47Å; R38-Y158 VanDerWaalsContact CD-CE1 3.46Å; R38-Y158 VanDerWaalsContact CZ-CE1 3.48Å; R38-Y158 VanDerWaalsContact NE-CE1 3.3Å; A154-Y158 WeakPolarHBondContact O-CB 3.48Å; A154-Y158 PolarHBondContact O-N 2.78Å; E155-Y158 PolarHBondContact O-N 3.2Å; F156-Y158 VanDerWaalsContact C-N 3.33Å; F156-Y158 PolarHBondContact O-N 3.05Å; Y158-H187 PolarHBondContact O-CE1 2.83Å; Y158-H187 PolarHBondContact O-NE2 3.45Å
159	H	95	Very high	95.8	Very high	90 Å²	90	32.8 Å²	32.8	42%	0.417	16%	0.159	S	C	.	.	H	α-helix	trans	-88.8	-22.6	-178.6	-79.9	-61.7	0	0	0	114.8	E155 F156 Y157 H187	E155-H159 PolarHBondContact O-CD2 3.16Å; E155-H159 PolarHBondContact O-N 3.16Å; E155-H159 IonicContact OE1-CD2 3.69Å; E155-H159 IonicContact OE1-NE2 2.77Å; E155-H159 PolarHBondContact OE1-NE2 2.78Å; F156-H159 PolarHBondContact O-N 3Å; Y157-H159 PolarHBondContact O-N 3.42Å; H159-H187 WeakPolarHBondContact O-CB 3.5Å; H159-H187 PolarHBondContact O-CD2 3.04Å
160	N	96	Very high	95.5	Very high	62 Å²	62	38.4 Å²	38.4	33%	0.332	18%	0.18	S	C	.	.	H	α-helix	trans	-121.3	-7.9	-166.3	-62.4	-82.7	0	0	0	114.5	F156 Y157 A162 S193 F208	F156-N160 HydrophobicContact CD1-CB 4.17Å; F156-N160 HydrophobicContact CE1-CB 3.8Å; F156-N160 HydrophobicContact CZ-CB 4.32Å; F156-N160 WeakPolarHBondContact O-CB 3.18Å; F156-N160 PolarHBondContact O-N 2.77Å; F156-N160 PolarHBondContact O-ND2 2.99Å; Y157-N160 PolarHBondContact O-N 3.05Å; N160-A162 PolarHBondContact O-N 2.95Å; N160-S193 PolarHBondContact O-OG 3.37Å; N160-F208 HydrophobicContact CB-CE1 3.89Å; N160-F208 HydrophobicContact CB-CZ 4.16Å; N160-F208 WeakPolarHBondContact O-CZ 3.33Å
161	F	97.1	Very high	95.1	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.224	C	C	.	.			trans	-75.2	122.5	176.2	174.2	-105.9	0	0	0	111.7	E27 E28 H31 Y157 I185 H187 M194 L197	E27-F161 HydrophobicContact CB-CE2 3.96Å; E27-F161 HydrophobicContact CB-CZ 3.86Å; E27-F161 HydrophobicContact CG-CE2 4Å; E27-F161 HydrophobicContact CG-CZ 3.6Å; E28-F161 HydrophobicContact CG-CE1 4.19Å; E28-F161 HydrophobicContact CG-CZ 4.22Å; H31-F161 HydrophobicContact CB-CD1 3.8Å; H31-F161 HydrophobicContact CB-CE1 4.07Å; H31-F161 AromaticContact CG-CD1 3.69Å; H31-F161 AromaticContact ND1-CD1 3.48Å; H31-F161 WeakPolarHBondContact ND1-CD1 3.28Å; Y157-F161 HydrophobicContact CD1-CB 4.06Å; Y157-F161 HydrophobicContact CD2-CB 4.07Å; Y157-F161 HydrophobicContact CE1-CB 3.88Å; Y157-F161 HydrophobicContact CE1-CD1 4.22Å; Y157-F161 HydrophobicContact CE1-CD2 4.31Å; Y157-F161 AromaticContact CE1-CG 3.85Å; Y157-F161 HydrophobicContact CE1-CG 3.85Å; Y157-F161 HydrophobicContact CE2-CB 3.85Å; Y157-F161 AromaticContact CE2-CD2 3.64Å; Y157-F161 HydrophobicContact CE2-CD2 3.64Å; Y157-F161 HydrophobicContact CE2-CE2 4.46Å; Y157-F161 AromaticContact CE2-CG 3.88Å; Y157-F161 HydrophobicContact CE2-CG 3.88Å; Y157-F161 HydrophobicContact CG-CB 4.18Å; Y157-F161 AromaticContact CZ-CD2 3.47Å; Y157-F161 VanDerWaalsContact CZ-CD2 3.47Å; Y157-F161 AromaticContact CZ-CG 3.47Å; Y157-F161 VanDerWaalsContact CZ-CG 3.47Å; Y157-F161 WeakPolarHBondContact O-CB 3.44Å; Y157-F161 PolarHBondContact O-N 3.46Å; Y157-F161 WeakPolarHBondContact OH-CD2 3.48Å; Y157-F161 WeakPolarHBondContact OH-CE2 3.48Å; Y157-F161 WeakPolarHBondContact OH-CG 3.42Å; F161-I185 HydrophobicContact CD1-CB 4.27Å; F161-I185 HydrophobicContact CD1-CD1 4.28Å; F161-I185 HydrophobicContact CD1-CG2 3.83Å; F161-I185 HydrophobicContact CE1-CB 4.09Å; F161-I185 HydrophobicContact CE1-CD1 3.8Å; F161-I185 HydrophobicContact CE1-CG2 4.16Å; F161-H187 PolarHBondContact O-CD2 3Å; F161-M194 HydrophobicContact CE2-SD 4.02Å; F161-L197 HydrophobicContact CD2-CD1 3.79Å; F161-L197 HydrophobicContact CE2-CD1 3.99Å
162	A	97.2	Very high	94.8	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.251	C	S	.	.			trans	-130.9	147.7	168.7	0	0	0	0	0	110.3	N160 I185 A190 N192 S193	N160-A162 PolarHBondContact O-N 2.95Å; A162-I185 CarbonylContact C-O 3.6Å; A162-I185 VanDerWaalsContact CA-O 3.3Å; A162-I185 WeakPolarHBondContact CA-O 3.44Å; A162-A190 HydrophobicContact CB-CB 3.9Å; A162-A190 WeakPolarHBondContact CB-O 3.2Å; A162-N192 CarbonylContact O-C 3.26Å; A162-N192 WeakPolarHBondContact O-CA 3.37Å; A162-S193 PolarHBondContact N-OG 2.91Å; A162-S193 PolarHBondContact O-N 3.48Å
163	S	96.1	Very high	94.4	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.276	C	S	.	.			trans	-145.2	119.9	177.9	168.8	0	0	0	0	109.7	E28 R165 P184 I185 E191	E28-S163 PolarHBondContact OE1-OG 3.01Å; E28-S163 VanDerWaalsContact OE1-OG 3.14Å; S163-R165 VanDerWaalsContact C-N 3.28Å; S163-R165 PolarHBondContact OG-N 3.27Å; S163-P184 VanDerWaalsContact O-CB 3.3Å; S163-P184 WeakPolarHBondContact O-CB 3.23Å; S163-I185 PolarHBondContact N-O 2.77Å; S163-E191 CarbonylContact C-O 3.59Å
164	D	94.7	Very high	94.3	Very high	59 Å²	59	52.7 Å²	52.7	32%	0.316	27%	0.273	S	S	.	.			trans	-88.2	0.1	167.9	68.4	-4.4	0	0	0	112.3	S166 E191 N192	D164-S166 VanDerWaalsContact CG-OG 3.32Å; D164-S166 PolarHBondContact O-N 3.39Å; D164-S166 WeakPolarHBondContact OD1-CB 3.37Å; D164-S166 PolarHBondContact OD1-N 3.35Å; D164-S166 PolarHBondContact OD1-OG 2.9Å; D164-S166 PolarHBondContact OD2-OG 2.86Å; D164-E191 PolarHBondContact N-O 3.28Å; D164-N192 PolarHBondContact OD1-ND2 3.49Å
165	R	95.3	Very high	94.2	Very high	15 Å²	15	56.2 Å²	56.2	6%	0.057	29%	0.286	C	S	.	.			trans	61.2	15.7	-177.5	-53.4	171.5	-177.9	158.4	6.1	114.1	Y25 E28 S163 H167 M168 W175 P180 W182 P183	Y25-R165 HydrophobicContact CE1-CB 4.2Å; Y25-R165 HydrophobicContact CE1-CG 3.94Å; E28-R165 WeakPolarHBondContact OE1-CG 3.23Å; E28-R165 IonicContact OE1-CZ 3.88Å; E28-R165 IonicContact OE1-NE 3.43Å; E28-R165 PolarHBondContact OE1-NE 2.82Å; E28-R165 IonicContact OE1-NH2 3.7Å; E28-R165 IonicContact OE2-CZ 2.93Å; E28-R165 IonicContact OE2-NE 2.85Å; E28-R165 PolarHBondContact OE2-NE 2.86Å; E28-R165 IonicContact OE2-NH2 3.45Å; E28-R165 PolarHBondContact OE2-NH2 3.33Å; S163-R165 VanDerWaalsContact C-N 3.28Å; S163-R165 PolarHBondContact OG-N 3.27Å; R165-H167 PolarHBondContact O-N 2.8Å; R165-M168 PolarHBondContact O-N 2.84Å; R165-W175 HydrophobicContact CB-CH2 3.99Å; R165-W175 HydrophobicContact CB-CZ3 3.79Å; R165-P180 VanDerWaalsContact CZ-CG 3.45Å; R165-P180 PolarHBondContact NH1-O 2.91Å; R165-W182 PolarHBondContact NH1-O 3.43Å; R165-W182 VanDerWaalsContact NH2-CD1 3.31Å; R165-W182 PolarHBondContact NH2-O 2.82Å; R165-P183 VanDerWaalsContact NH2-C 3.32Å; R165-P183 PolarHBondContact NH2-O 3.32Å; R165-P183 VanDerWaalsContact NH2-O 3.12Å
166	S	92.7	Very high	94	Very high	51 Å²	51	58 Å²	58	36%	0.357	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-60.3	-32	180	56.4	0	0	0	0	112.4	D164 M168 R169 N192	D164-S166 VanDerWaalsContact CG-OG 3.32Å; D164-S166 PolarHBondContact O-N 3.39Å; D164-S166 WeakPolarHBondContact OD1-CB 3.37Å; D164-S166 PolarHBondContact OD1-N 3.35Å; D164-S166 PolarHBondContact OD1-OG 2.9Å; D164-S166 PolarHBondContact OD2-OG 2.86Å; S166-M168 PolarHBondContact O-N 2.82Å; S166-R169 PolarHBondContact O-N 3.28Å; S166-R169 VanDerWaalsContact O-N 3.12Å; S166-N192 PolarHBondContact OG-ND2 3.23Å
167	H	89.2	Confident	93.7	Very high	51 Å²	51	57.8 Å²	57.8	24%	0.236	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-64.2	-20.9	175	63.2	-66.2	0	0	0	113.7	E27 Y99 R165	E27-H167 IonicContact OE1-CE1 2.68Å; E27-H167 PolarHBondContact OE1-CE1 3.3Å; E27-H167 IonicContact OE1-NE2 2.96Å; E27-H167 PolarHBondContact OE1-NE2 3.32Å; Y99-H167 PolarHBondContact OH-CD2 2.85Å; Y99-H167 PolarHBondContact OH-NE2 2.92Å; R165-H167 PolarHBondContact O-N 2.8Å
168	M	93.3	Very high	93.7	Very high	18 Å²	18	62.3 Å²	62.3	9%	0.089	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-96	3.5	178	-64.1	-62.8	-75.1	0	0	113.1	G24 Y25 R165 S166 W175 I176 M177	G24-M168 VanDerWaalsContact O-CE 3.26Å; G24-M168 WeakPolarHBondContact O-CE 3.48Å; Y25-M168 HydrophobicContact CD1-CG 4.22Å; Y25-M168 HydrophobicContact CD2-CE 4.32Å; Y25-M168 HydrophobicContact CE1-CB 3.94Å; Y25-M168 HydrophobicContact CE1-CE 4.46Å; Y25-M168 HydrophobicContact CE1-CG 3.57Å; Y25-M168 HydrophobicContact CE2-CE 3.87Å; Y25-M168 WeakPolarHBondContact OH-CB 3.45Å; R165-M168 PolarHBondContact O-N 2.84Å; S166-M168 PolarHBondContact O-N 2.82Å; M168-W175 HydrophobicContact CB-CE3 4.28Å; M168-W175 HydrophobicContact CB-CZ3 4.35Å; M168-I176 WeakPolarHBondContact O-CG1 3.44Å; M168-I176 PolarHBondContact O-N 2.94Å; M168-M177 HydrophobicContact CE-CB 3.88Å; M168-M177 HydrophobicContact CE-CG 4.25Å
169	R	93.5	Very high	93.7	Very high	115 Å²	115	62.3 Å²	62.3	43%	0.434	33%	0.332	S	S	.	.	B	Isolated β-bridge	trans	-95.7	137.2	175.4	-67.5	-175.7	176.8	-103	8	111	S166 S173 S174 W175	S166-R169 PolarHBondContact O-N 3.28Å; S166-R169 VanDerWaalsContact O-N 3.12Å; R169-S173 PolarHBondContact NH1-O 3.48Å; R169-S174 WeakPolarHBondContact CA-O 3.29Å; R169-W175 HydrophobicContact CG-CE3 3.84Å; R169-W175 HydrophobicContact CG-CH2 4.03Å; R169-W175 HydrophobicContact CG-CZ3 3.55Å
170	R	90.4	Very high	93.8	Very high	119 Å²	119	58.6 Å²	58.6	45%	0.449	32%	0.316	S	S	.	.			trans	-74.6	168.9	166	-62.5	-165.6	-173.1	82.5	7.4	110.4	D172 S173 S174 W175 I176	R170-D172 VanDerWaalsContact CB-OD1 3.28Å; R170-D172 WeakPolarHBondContact CB-OD1 3.43Å; R170-D172 PolarHBondContact O-N 2.86Å; R170-S173 WeakPolarHBondContact O-CA 3.37Å; R170-S173 PolarHBondContact O-N 3.45Å; R170-S174 WeakPolarHBondContact CD-OG 3.48Å; R170-S174 PolarHBondContact N-O 2.76Å; R170-S174 PolarHBondContact NH1-OG 3.2Å; R170-W175 VanDerWaalsContact NH1-C 3.33Å; R170-W175 PolarHBondContact NH1-O 3.22Å; R170-I176 HydrophobicContact CG-CG1 3.85Å; R170-I176 PolarHBondContact NH2-O 2.92Å
171	S	90.3	Very high	93.8	Very high	131 Å²	131	61.6 Å²	61.6	92%	0.916	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-28.4	176.1	52.2	0	0	0	0	113.7	S173	S171-S173 PolarHBondContact O-N 2.78Å
172	D	93.7	Very high	93.8	Very high	111 Å²	111	63.9 Å²	63.9	59%	0.594	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	10.4	173.9	70.5	-4.6	0	0	0	113.4	R170 S174	R170-D172 VanDerWaalsContact CB-OD1 3.28Å; R170-D172 WeakPolarHBondContact CB-OD1 3.43Å; R170-D172 PolarHBondContact O-N 2.86Å; D172-S174 PolarHBondContact O-N 3.25Å; D172-S174 WeakPolarHBondContact OD1-CB 3.24Å; D172-S174 PolarHBondContact OD1-N 2.86Å; D172-S174 PolarHBondContact OD1-OG 3.12Å; D172-S174 PolarHBondContact OD2-OG 2.74Å
173	S	89.8	Confident	93.7	Very high	76 Å²	76	68.9 Å²	68.9	53%	0.531	38%	0.383	S	S	.	.	S	Bend	trans	65.9	3.1	-175.3	-55.6	0	0	0	0	115.9	R169 R170 S171	R169-S173 PolarHBondContact NH1-O 3.48Å; R170-S173 WeakPolarHBondContact O-CA 3.37Å; R170-S173 PolarHBondContact O-N 3.45Å; S171-S173 PolarHBondContact O-N 2.78Å
174	S	94.2	Very high	93.6	Very high	39 Å²	39	71.6 Å²	71.6	27%	0.273	40%	0.401	S	S	.	.			trans	-72	158.5	171.2	74.9	0	0	0	0	111.5	R169 R170 D172	R169-S174 WeakPolarHBondContact CA-O 3.29Å; R170-S174 WeakPolarHBondContact CD-OG 3.48Å; R170-S174 PolarHBondContact N-O 2.76Å; R170-S174 PolarHBondContact NH1-OG 3.2Å; D172-S174 PolarHBondContact O-N 3.25Å; D172-S174 WeakPolarHBondContact OD1-CB 3.24Å; D172-S174 PolarHBondContact OD1-N 2.86Å; D172-S174 PolarHBondContact OD1-OG 3.12Å; D172-S174 PolarHBondContact OD2-OG 2.74Å
175	W	93.7	Very high	93.7	Very high	75 Å²	75	69.6 Å²	69.6	28%	0.284	39%	0.39	S	S	.	.	B	Isolated β-bridge	trans	-86.8	132.1	-177.9	-64.7	110.9	0	0	0	112.5	R165 M168 R169 R170 M177 P179	R165-W175 HydrophobicContact CB-CH2 3.99Å; R165-W175 HydrophobicContact CB-CZ3 3.79Å; M168-W175 HydrophobicContact CB-CE3 4.28Å; M168-W175 HydrophobicContact CB-CZ3 4.35Å; R169-W175 HydrophobicContact CG-CE3 3.84Å; R169-W175 HydrophobicContact CG-CH2 4.03Å; R169-W175 HydrophobicContact CG-CZ3 3.55Å; R170-W175 VanDerWaalsContact NH1-C 3.33Å; R170-W175 PolarHBondContact NH1-O 3.22Å; W175-M177 VanDerWaalsContact C-N 3.31Å; W175-M177 WeakPolarHBondContact CB-O 3.42Å; W175-P179 HydrophobicContact CD2-CB 4.24Å; W175-P179 HydrophobicContact CD2-CG 3.95Å; W175-P179 HydrophobicContact CE3-CB 4.36Å; W175-P179 HydrophobicContact CG-CG 4.25Å; W175-P179 HydrophobicContact CH2-CB 4.25Å; W175-P179 HydrophobicContact CZ2-CB 4.11Å; W175-P179 HydrophobicContact CZ2-CG 3.89Å; W175-P179 HydrophobicContact CZ3-CB 4.38Å
176	I	91.4	Very high	93.5	Very high	81 Å²	81	74.6 Å²	74.6	42%	0.415	41%	0.414	S	S	.	.	S	Bend	trans	-58.3	-49.2	171.7	-63.8	173.9	0	0	0	109.5	M168 R170	M168-I176 WeakPolarHBondContact O-CG1 3.44Å; M168-I176 PolarHBondContact O-N 2.94Å; R170-I176 HydrophobicContact CG-CG1 3.85Å; R170-I176 PolarHBondContact NH2-O 2.92Å
177	M	91.8	Very high	93.1	Very high	76 Å²	76	74.8 Å²	74.8	37%	0.374	41%	0.409	S	S	.	.	S	Bend	trans	-129	144.5	170.9	-72.1	-66.8	-71.4	0	0	109.2	P23 Y25 M168 W175	P23-M177 HydrophobicContact CB-CE 3.94Å; Y25-M177 HydrophobicContact CE2-CB 4.31Å; Y25-M177 PolarHBondContact OH-O 2.74Å; M168-M177 HydrophobicContact CE-CB 3.88Å; M168-M177 HydrophobicContact CE-CG 4.25Å; W175-M177 VanDerWaalsContact C-N 3.31Å; W175-M177 WeakPolarHBondContact CB-O 3.42Å
178	P	95.5	Very high	92.6	Very high	95 Å²	95	76.4 Å²	76.4	62%	0.617	44%	0.439	S	S	*	.	P	Polyproline II helix	trans	-52.9	130.3	178.5	-25.3	34.3	0	0	0	111.4	C22 Y25	C22-P178 PolarHBondContact SG-O 3.22Å; Y25-P178 WeakPolarHBondContact CE2-O 3.36Å
179	P	96.6	Very high	91.8	Very high	45 Å²	45	84 Å²	84	29%	0.292	48%	0.48	S	S	.	.	P	Polyproline II helix	trans	-69.1	157.3	-177.6	32.3	-38.1	0	0	0	110.6	Y25 W175	Y25-P179 WeakPolarHBondContact OH-CA 3.28Å; W175-P179 HydrophobicContact CD2-CB 4.24Å; W175-P179 HydrophobicContact CD2-CG 3.95Å; W175-P179 HydrophobicContact CE3-CB 4.36Å; W175-P179 HydrophobicContact CG-CG 4.25Å; W175-P179 HydrophobicContact CH2-CB 4.25Å; W175-P179 HydrophobicContact CZ2-CB 4.11Å; W175-P179 HydrophobicContact CZ2-CG 3.89Å; W175-P179 HydrophobicContact CZ3-CB 4.38Å
180	P	97.2	Very high	91.2	Very high	11 Å²	11	80.5 Å²	80.5	7%	0.071	48%	0.475	C	S	.	.	P	Polyproline II helix	trans	-65.4	157	174	25.3	-32.4	0	0	0	112.2	C22 Y25 R165 W182	C22-P180 HydrophobicContact CB-CB 3.72Å; C22-P180 HydrophobicContact CB-CG 4.38Å; Y25-P180 HydrophobicContact CD1-CG 4.46Å; Y25-P180 HydrophobicContact CG-CG 4.45Å; R165-P180 VanDerWaalsContact CZ-CG 3.45Å; R165-P180 PolarHBondContact NH1-O 2.91Å; P180-W182 VanDerWaalsContact C-N 3.32Å; P180-W182 HydrophobicContact CB-CD2 3.5Å; P180-W182 VanDerWaalsContact CB-CD2 3.5Å; P180-W182 HydrophobicContact CB-CE3 3.8Å; P180-W182 HydrophobicContact CB-CG 4.17Å; P180-W182 HydrophobicContact CB-CH2 3.61Å; P180-W182 HydrophobicContact CB-CZ2 3.26Å; P180-W182 HydrophobicContact CB-CZ3 3.85Å; P180-W182 HydrophobicContact CG-CD2 4.21Å; P180-W182 HydrophobicContact CG-CZ2 3.77Å; P180-W182 PolarHBondContact O-N 3.44Å
181	S	96	Very high	90.8	Very high	125 Å²	125	81.1 Å²	81.1	87%	0.874	48%	0.483	S	S	*	.	S	Bend	trans	-75.6	-17.7	-179.7	55.7	0	0	0	0	114
182	W	96.5	Very high	90.9	Very high	48 Å²	48	77 Å²	77	18%	0.182	45%	0.451	C	S	.	.	S	Bend	trans	-77.3	153.3	174.1	54.4	84.3	0	0	0	111.4	A20 C22 E28 L32 R165 P180	A20-W182 HydrophobicContact CB-CE3 4.32Å; A20-W182 HydrophobicContact CB-CH2 4.17Å; A20-W182 HydrophobicContact CB-CZ3 3.9Å; C22-W182 HydrophobicContact CB-CH2 3.71Å; C22-W182 HydrophobicContact CB-CZ2 4.06Å; E28-W182 HydrophobicContact CB-CZ2 4.5Å; E28-W182 PolarHBondContact OE2-NE1 3.02Å; L32-W182 HydrophobicContact CD1-CD2 3.64Å; L32-W182 HydrophobicContact CD1-CE3 4.14Å; L32-W182 HydrophobicContact CD1-CG 4.08Å; L32-W182 HydrophobicContact CD1-CH2 4.14Å; L32-W182 HydrophobicContact CD1-CZ2 3.66Å; L32-W182 HydrophobicContact CD1-CZ3 4.38Å; R165-W182 PolarHBondContact NH1-O 3.43Å; R165-W182 VanDerWaalsContact NH2-CD1 3.31Å; R165-W182 PolarHBondContact NH2-O 2.82Å; P180-W182 VanDerWaalsContact C-N 3.32Å; P180-W182 HydrophobicContact CB-CD2 3.5Å; P180-W182 VanDerWaalsContact CB-CD2 3.5Å; P180-W182 HydrophobicContact CB-CE3 3.8Å; P180-W182 HydrophobicContact CB-CG 4.17Å; P180-W182 HydrophobicContact CB-CH2 3.61Å; P180-W182 HydrophobicContact CB-CZ2 3.26Å; P180-W182 HydrophobicContact CB-CZ3 3.85Å; P180-W182 HydrophobicContact CG-CD2 4.21Å; P180-W182 HydrophobicContact CG-CZ2 3.77Å; P180-W182 PolarHBondContact O-N 3.44Å
183	P	95.4	Very high	90.9	Very high	105 Å²	105	71.9 Å²	71.9	68%	0.682	42%	0.424	S	S	*	.	P	Polyproline II helix	trans	-57.5	151.8	175.5	-23.9	34.6	0	0	0	112.5	R165	R165-P183 VanDerWaalsContact NH2-C 3.32Å; R165-P183 PolarHBondContact NH2-O 3.32Å; R165-P183 VanDerWaalsContact NH2-O 3.12Å
184	P	95.5	Very high	91.1	Very high	57 Å²	57	68.5 Å²	68.5	37%	0.37	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-51.3	140.9	170.1	-25.1	34.6	0	0	0	111.5	S163	S163-P184 VanDerWaalsContact O-CB 3.3Å; S163-P184 WeakPolarHBondContact O-CB 3.23Å
185	I	96.1	Very high	91	Very high	17 Å²	17	69.7 Å²	69.7	9%	0.087	41%	0.407	C	S	.	.	P	Polyproline II helix	trans	-80.9	125.3	-179.7	-64.8	159.4	0	0	0	108.5	E28 H31 F161 A162 S163	E28-I185 HydrophobicContact CB-CD1 3.8Å; E28-I185 HydrophobicContact CG-CD1 3.9Å; H31-I185 HydrophobicContact CB-CD1 3.85Å; F161-I185 HydrophobicContact CD1-CB 4.27Å; F161-I185 HydrophobicContact CD1-CD1 4.28Å; F161-I185 HydrophobicContact CD1-CG2 3.83Å; F161-I185 HydrophobicContact CE1-CB 4.09Å; F161-I185 HydrophobicContact CE1-CD1 3.8Å; F161-I185 HydrophobicContact CE1-CG2 4.16Å; A162-I185 CarbonylContact C-O 3.6Å; A162-I185 VanDerWaalsContact CA-O 3.3Å; A162-I185 WeakPolarHBondContact CA-O 3.44Å; S163-I185 PolarHBondContact N-O 2.77Å
186	Q	90.6	Very high	90.9	Very high	121 Å²	121	70.8 Å²	70.8	57%	0.565	42%	0.415	S	S	*	.			trans	-138.6	141	-177.4	-64.9	-178.2	-24.3	0	0	110.3
187	H	83.6	Confident	91.1	Very high	54 Å²	54	67 Å²	67	25%	0.25	40%	0.395	C	S	.	.	B	Isolated β-bridge	trans	-130.7	116.2	171.8	-67.1	-61.8	0	0	0	110.8	H31 Y158 H159 F161 L189 A190	H31-H187 AromaticContact CE1-NE2 3.35Å; H31-H187 PolarHBondContact CE1-NE2 3.48Å; H31-H187 AromaticContact NE2-NE2 3.83Å; Y158-H187 PolarHBondContact O-CE1 2.83Å; Y158-H187 PolarHBondContact O-NE2 3.45Å; H159-H187 WeakPolarHBondContact O-CB 3.5Å; H159-H187 PolarHBondContact O-CD2 3.04Å; F161-H187 PolarHBondContact O-CD2 3Å; H187-L189 PolarHBondContact O-N 3.22Å; H187-A190 WeakPolarHBondContact O-CB 3.4Å; H187-A190 PolarHBondContact O-N 2.9Å
188	G	79.5	Confident	91.1	Very high	85 Å²	85	64.7 Å²	64.7	88%	0.876	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	59	-121.3	-179.4	0	0	0	0	0	111.9
189	L	76.5	Confident	90.9	Very high	178 Å²	178	63 Å²	63	93%	0.932	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	-1.2	178.5	-60.1	177.7	0	0	0	113.3	H187 E191	H187-L189 PolarHBondContact O-N 3.22Å; L189-E191 PolarHBondContact O-N 3.33Å
190	A	80.7	Confident	90.7	Very high	42 Å²	42	61.1 Å²	61.1	35%	0.347	36%	0.358	S	S	.	.	B	Isolated β-bridge	trans	-76.7	121.5	179.2	0	0	0	0	0	110	A162 H187	A162-A190 HydrophobicContact CB-CB 3.9Å; A162-A190 WeakPolarHBondContact CB-O 3.2Å; H187-A190 WeakPolarHBondContact O-CB 3.4Å; H187-A190 PolarHBondContact O-N 2.9Å
191	E	81.7	Confident	90.2	Very high	132 Å²	132	62.9 Å²	62.9	62%	0.617	37%	0.367	S	S	*	.			trans	-100.8	-35	-179.8	-64.1	-176.5	158.9	0	0	112.6	S163 D164 L189	S163-E191 CarbonylContact C-O 3.59Å; D164-E191 PolarHBondContact N-O 3.28Å; L189-E191 PolarHBondContact O-N 3.33Å
192	N	92.2	Very high	90	Very high	44 Å²	44	63 Å²	63	24%	0.235	36%	0.356	C	S	.	.			trans	-154.1	114.2	-177.9	-172.7	5.1	0	0	0	112.7	A162 D164 S166 M194	A162-N192 CarbonylContact O-C 3.26Å; A162-N192 WeakPolarHBondContact O-CA 3.37Å; D164-N192 PolarHBondContact OD1-ND2 3.49Å; S166-N192 PolarHBondContact OG-ND2 3.23Å; N192-M194 VanDerWaalsContact OD1-CB 3.24Å; N192-M194 WeakPolarHBondContact OD1-CB 3.36Å; N192-M194 VanDerWaalsContact OD1-CG 3.29Å; N192-M194 WeakPolarHBondContact OD1-CG 3.38Å; N192-M194 PolarHBondContact OD1-N 3.25Å
193	S	94.6	Very high	90	Very high	4 Å²	4	64.2 Å²	64.2	3%	0.028	37%	0.369	C	S	.	.			trans	-91.4	-12.9	178.6	-55.5	0	0	0	0	112.7	N160 A162 Q196 L197	N160-S193 PolarHBondContact O-OG 3.37Å; A162-S193 PolarHBondContact N-OG 2.91Å; A162-S193 PolarHBondContact O-N 3.48Å; S193-Q196 WeakPolarHBondContact O-CB 3.33Å; S193-Q196 PolarHBondContact O-N 3.28Å; S193-L197 WeakPolarHBondContact O-CG 3.38Å; S193-L197 PolarHBondContact O-N 2.85Å
194	M	93.6	Very high	90.1	Very high	4 Å²	4	60.7 Å²	60.7	2%	0.02	35%	0.352	C	S	.	.	H	α-helix	trans	-51.7	-46.6	-168.5	-69.5	-55.4	-60.9	0	0	114.9	E27 Y99 F161 N192 Q196 L197 I198	E27-M194 HydrophobicContact CB-SD 4.13Å; E27-M194 HydrophobicContact CG-CE 4.34Å; E27-M194 HydrophobicContact CG-SD 3.75Å; Y99-M194 HydrophobicContact CD1-CE 4.42Å; Y99-M194 HydrophobicContact CD2-CE 4.37Å; Y99-M194 HydrophobicContact CE1-CE 3.64Å; Y99-M194 HydrophobicContact CE2-CE 3.6Å; Y99-M194 WeakPolarHBondContact OH-CE 3.39Å; F161-M194 HydrophobicContact CE2-SD 4.02Å; N192-M194 VanDerWaalsContact OD1-CB 3.24Å; N192-M194 WeakPolarHBondContact OD1-CB 3.36Å; N192-M194 VanDerWaalsContact OD1-CG 3.29Å; N192-M194 WeakPolarHBondContact OD1-CG 3.38Å; N192-M194 PolarHBondContact OD1-N 3.25Å; M194-Q196 PolarHBondContact O-N 2.84Å; M194-Q196 VanDerWaalsContact O-N 3.14Å; M194-L197 WeakPolarHBondContact O-CB 3.45Å; M194-L197 PolarHBondContact O-N 3.5Å; M194-L197 HydrophobicContact SD-CD1 4.12Å; M194-I198 HydrophobicContact CE-CD1 4.17Å; M194-I198 HydrophobicContact CE-CG2 3.61Å; M194-I198 WeakPolarHBondContact O-CG1 3.42Å; M194-I198 PolarHBondContact O-N 2.97Å
195	P	91.7	Very high	90.2	Very high	65 Å²	65	64.8 Å²	64.8	42%	0.422	37%	0.366	S	S	.	.	H	α-helix	trans	-57.1	-33.3	179.3	-26.6	36.4	0	0	0	113.8	L197 N199	P195-L197 VanDerWaalsContact C-N 3.33Å; P195-N199 WeakPolarHBondContact O-CB 3.35Å; P195-N199 PolarHBondContact O-N 3.36Å; P195-N199 PolarHBondContact O-ND2 3.26Å
196	Q	92.3	Very high	90.2	Very high	97 Å²	97	65.9 Å²	65.9	45%	0.453	37%	0.373	S	S	.	.	H	α-helix	trans	-78.4	-21.1	178.8	-61.8	177.4	76.6	0	0	112.5	H150 S193 M194 F208	H150-Q196 PolarHBondContact CE1-O 3.49Å; S193-Q196 WeakPolarHBondContact O-CB 3.33Å; S193-Q196 PolarHBondContact O-N 3.28Å; M194-Q196 PolarHBondContact O-N 2.84Å; M194-Q196 VanDerWaalsContact O-N 3.14Å; Q196-F208 HydrophobicContact CB-CD2 4.06Å; Q196-F208 HydrophobicContact CB-CE2 4.02Å
197	L	94.9	Very high	90.3	Very high	1 Å²	1	64.6 Å²	64.6	1%	0.005	38%	0.376	C	S	.	.	H	α-helix	trans	-86.4	-40.6	-179.2	-60.5	-176.5	0	0	0	112.3	V53 H150 I152 Y157 F161 S193 M194 P195 L200 F208	V53-L197 HydrophobicContact CG2-CB 4.34Å; H150-L197 PolarHBondContact ND1-O 3.47Å; I152-L197 HydrophobicContact CD1-CD2 3.45Å; I152-L197 VanDerWaalsContact CD1-CD2 3.45Å; Y157-L197 HydrophobicContact CE2-CD1 3.95Å; F161-L197 HydrophobicContact CD2-CD1 3.79Å; F161-L197 HydrophobicContact CE2-CD1 3.99Å; S193-L197 WeakPolarHBondContact O-CG 3.38Å; S193-L197 PolarHBondContact O-N 2.85Å; M194-L197 WeakPolarHBondContact O-CB 3.45Å; M194-L197 PolarHBondContact O-N 3.5Å; M194-L197 HydrophobicContact SD-CD1 4.12Å; P195-L197 VanDerWaalsContact C-N 3.33Å; L197-L200 WeakPolarHBondContact O-CD2 3.48Å; L197-F208 HydrophobicContact CD2-CB 4.17Å; L197-F208 HydrophobicContact CD2-CD1 3.51Å; L197-F208 HydrophobicContact CD2-CD2 4.12Å; L197-F208 HydrophobicContact CD2-CE1 3.87Å; L197-F208 HydrophobicContact CD2-CE2 4.44Å; L197-F208 HydrophobicContact CD2-CG 3.65Å; L197-F208 HydrophobicContact CD2-CZ 4.33Å
198	I	93.2	Very high	90.9	Very high	29 Å²	29	62.7 Å²	62.7	15%	0.149	37%	0.367	C	S	.	.	H	α-helix	trans	-109.9	-23.9	-166.8	73.8	-175.8	0	0	0	114.4	V53 S55 Y99 M194 L200	V53-I198 HydrophobicContact CG1-CG2 3.93Å; S55-I198 PolarHBondContact OG-O 2.86Å; Y99-I198 HydrophobicContact CD1-CB 4.27Å; Y99-I198 HydrophobicContact CD1-CD1 3.91Å; Y99-I198 HydrophobicContact CD1-CG2 3.7Å; Y99-I198 HydrophobicContact CD2-CG2 3.81Å; Y99-I198 HydrophobicContact CE1-CD1 4.08Å; Y99-I198 HydrophobicContact CE1-CG2 4.19Å; Y99-I198 HydrophobicContact CE2-CG2 4.3Å; Y99-I198 HydrophobicContact CG-CB 4.28Å; Y99-I198 HydrophobicContact CG-CG2 3.51Å; M194-I198 HydrophobicContact CE-CD1 4.17Å; M194-I198 HydrophobicContact CE-CG2 3.61Å; M194-I198 WeakPolarHBondContact O-CG1 3.42Å; M194-I198 PolarHBondContact O-N 2.97Å; I198-L200 PolarHBondContact O-N 3.49Å
199	N	91.1	Very high	91.7	Very high	58 Å²	58	59.2 Å²	59.2	31%	0.31	33%	0.331	S	S	.	.			trans	-82.9	63.3	179.6	-60.8	-22.3	0	0	0	110.6	Y58 P195	Y58-N199 HydrophobicContact CD1-CB 4.23Å; Y58-N199 HydrophobicContact CD2-CB 4.12Å; Y58-N199 VanDerWaalsContact CD2-OD1 3.26Å; Y58-N199 WeakPolarHBondContact CD2-OD1 3.44Å; Y58-N199 HydrophobicContact CE2-CB 4.49Å; Y58-N199 WeakPolarHBondContact CE2-OD1 3.34Å; Y58-N199 HydrophobicContact CG-CB 3.95Å; P195-N199 WeakPolarHBondContact O-CB 3.35Å; P195-N199 PolarHBondContact O-N 3.36Å; P195-N199 PolarHBondContact O-ND2 3.26Å
200	L	91.2	Very high	92.8	Very high	6 Å²	6	53 Å²	53	3%	0.031	30%	0.3	C	S	.	.			trans	-84.1	132.9	-178.8	-50.3	-177.5	0	0	0	109.1	P57 Y58 L148 H150 L197 I198 V211	P57-L200 CarbonylContact C-O 3.55Å; P57-L200 WeakPolarHBondContact CA-O 2.84Å; Y58-L200 PolarHBondContact N-O 3.11Å; L148-L200 HydrophobicContact CB-CB 4.28Å; L148-L200 HydrophobicContact CB-CD1 3.9Å; L148-L200 HydrophobicContact CD1-CB 3.8Å; H150-L200 HydrophobicContact CB-CD1 3.79Å; H150-L200 HydrophobicContact CB-CD2 4.2Å; L197-L200 WeakPolarHBondContact O-CD2 3.48Å; I198-L200 PolarHBondContact O-N 3.49Å; L200-V211 HydrophobicContact CB-CG1 4.41Å; L200-V211 HydrophobicContact CD1-CG1 4.17Å; L200-V211 HydrophobicContact CD1-CG2 4.33Å; L200-V211 HydrophobicContact CD2-CG2 3.7Å; L200-V211 HydrophobicContact CG-CG2 4.45Å
201	D	87.6	Confident	93.6	Very high	49 Å²	49	51 Å²	51	26%	0.262	28%	0.284	S	S	.	.			trans	-109.4	-40.4	179.8	-77.4	-36.3	0	0	0	113	K59	K59-D201 VanDerWaalsContact CB-OD1 3.3Å; K59-D201 WeakPolarHBondContact CB-OD1 3.36Å; K59-D201 HydrophobicContact CD-CB 4.41Å; K59-D201 VanDerWaalsContact CD-CG 3.5Å; K59-D201 WeakPolarHBondContact CD-OD1 3.26Å; K59-D201 VanDerWaalsContact CD-OD2 3.24Å; K59-D201 WeakPolarHBondContact CD-OD2 3.35Å; K59-D201 WeakPolarHBondContact CE-OD2 3.46Å; K59-D201 WeakPolarHBondContact CG-OD1 3.42Å; K59-D201 PolarHBondContact N-OD1 3.11Å; K59-D201 IonicContact NZ-OD2 2.76Å; K59-D201 PolarHBondContact NZ-OD2 2.89Å
202	L	91.5	Very high	94.4	Very high	126 Å²	126	45.6 Å²	45.6	66%	0.66	26%	0.26	S	S	*	.	S	Bend	trans	-151.3	166.6	-177	61.9	147	0	0	0	110.7	V211	L202-V211 WeakPolarHBondContact O-CG1 3.15Å
203	V	97	Very high	94.6	Very high	74 Å²	74	46.7 Å²	46.7	45%	0.448	27%	0.265	S	S	.	.	S	Bend	trans	-61.3	137.5	169.1	173.5	0	0	0	0	110.1	L148 V211 D213	L148-V203 HydrophobicContact CD2-CG2 4.14Å; V203-V211 CarbonylContact C-O 3.52Å; V203-V211 VanDerWaalsContact CA-O 3.3Å; V203-V211 WeakPolarHBondContact CA-O 3.4Å; V203-V211 VanDerWaalsContact CG1-O 3.31Å; V203-V211 WeakPolarHBondContact CG1-O 3.27Å; V203-D213 HydrophobicContact CG2-CB 3.91Å
204	G	97.3	Very high	94.6	Very high	31 Å²	31	47.1 Å²	47.1	32%	0.32	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	151.3	-177.4	179.4	0	0	0	0	0	113.6	V211	G204-V211 PolarHBondContact N-O 2.87Å; G204-V211 PolarHBondContact O-N 2.63Å
205	E	97.6	Very high	94.7	Very high	144 Å²	144	51 Å²	51	67%	0.673	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.6	147.3	179.2	-59.7	-55.7	151.9	0	0	112.6	T210	E205-T210 WeakPolarHBondContact OE1-CG2 3.23Å; E205-T210 PolarHBondContact OE1-OG1 3.13Å; E205-T210 PolarHBondContact OE2-OG1 3.33Å
206	T	95.9	Very high	94.9	Very high	39 Å²	39	49 Å²	49	24%	0.239	28%	0.278	C	S	.	.			trans	-130.2	170.3	173	88.6	0	0	0	0	109.8	H150 F208 G209 V211	H150-T206 PolarHBondContact CE1-OG1 2.77Å; H150-T206 PolarHBondContact NE2-OG1 2.93Å; T206-F208 PolarHBondContact O-N 3.33Å; T206-F208 VanDerWaalsContact O-N 3.16Å; T206-F208 PolarHBondContact OG1-N 3.08Å; T206-G209 PolarHBondContact N-O 2.93Å; T206-G209 PolarHBondContact O-N 2.99Å; T206-G209 PolarHBondContact OG1-N 2.74Å; T206-G209 PolarHBondContact OG1-O 3.05Å; T206-V211 HydrophobicContact CG2-CG2 3.53Å
207	P	93.4	Very high	95.1	Very high	94 Å²	94	44.4 Å²	44.4	61%	0.61	26%	0.257	S	S	*	.	S	Bend	trans	-59.6	-20.2	171.8	-25.3	36	0	0	0	115	F156	F156-P207 WeakPolarHBondContact CE1-O 3.3Å; F156-P207 WeakPolarHBondContact CZ-O 3.46Å
208	F	95.5	Very high	95.1	Very high	15 Å²	15	45.9 Å²	45.9	7%	0.066	27%	0.265	C	S	.	.	S	Bend	trans	-97.3	-29.4	-179.8	-85.7	-99.1	0	0	0	113.4	I152 F156 N160 Q196 L197 T206	I152-F208 HydrophobicContact CD1-CB 4.01Å; I152-F208 HydrophobicContact CD1-CD1 4.31Å; I152-F208 HydrophobicContact CG1-CB 4.1Å; I152-F208 HydrophobicContact CG2-CB 4.34Å; I152-F208 HydrophobicContact CG2-CD1 4.28Å; I152-F208 WeakPolarHBondContact CG2-O 3.45Å; F156-F208 HydrophobicContact CD1-CD1 4.14Å; F156-F208 HydrophobicContact CE1-CB 4.41Å; F156-F208 AromaticContact CE1-CD1 3.94Å; F156-F208 HydrophobicContact CE1-CD1 3.94Å; F156-F208 HydrophobicContact CE1-CE1 4.36Å; F156-F208 HydrophobicContact CE1-CG 4.13Å; N160-F208 HydrophobicContact CB-CE1 3.89Å; N160-F208 HydrophobicContact CB-CZ 4.16Å; N160-F208 WeakPolarHBondContact O-CZ 3.33Å; Q196-F208 HydrophobicContact CB-CD2 4.06Å; Q196-F208 HydrophobicContact CB-CE2 4.02Å; L197-F208 HydrophobicContact CD2-CB 4.17Å; L197-F208 HydrophobicContact CD2-CD1 3.51Å; L197-F208 HydrophobicContact CD2-CD2 4.12Å; L197-F208 HydrophobicContact CD2-CE1 3.87Å; L197-F208 HydrophobicContact CD2-CE2 4.44Å; L197-F208 HydrophobicContact CD2-CG 3.65Å; L197-F208 HydrophobicContact CD2-CZ 4.33Å; T206-F208 PolarHBondContact O-N 3.33Å; T206-F208 VanDerWaalsContact O-N 3.16Å; T206-F208 PolarHBondContact OG1-N 3.08Å
209	G	97.3	Very high	95.2	Very high	11 Å²	11	47.5 Å²	47.5	11%	0.113	28%	0.279	C	S	.	.			trans	164.9	-153.8	-175.1	0	0	0	0	0	111.6	L151 T206	L151-G209 WeakPolarHBondContact O-CA 3.2Å; T206-G209 PolarHBondContact N-O 2.93Å; T206-G209 PolarHBondContact O-N 2.99Å; T206-G209 PolarHBondContact OG1-N 2.74Å; T206-G209 PolarHBondContact OG1-O 3.05Å
210	T	98.4	Very high	95.3	Very high	47 Å²	47	47.9 Å²	47.9	29%	0.288	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	128.3	-171.1	-46.6	0	0	0	0	110.5	L151 E205 V212	L151-T210 PolarHBondContact N-O 2.78Å; L151-T210 PolarHBondContact O-N 3.33Å; E205-T210 WeakPolarHBondContact OE1-CG2 3.23Å; E205-T210 PolarHBondContact OE1-OG1 3.13Å; E205-T210 PolarHBondContact OE2-OG1 3.33Å; T210-V212 HydrophobicContact CG2-CG1 4.11Å
211	V	98.6	Very high	95.5	Very high	2 Å²	2	47.8 Å²	47.8	1%	0.012	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	126.5	171.6	-179.2	0	0	0	0	108.8	L148 F149 H150 L200 L202 V203 G204 T206	L148-V211 HydrophobicContact CB-CG1 3.89Å; L148-V211 HydrophobicContact CD1-CG1 4.06Å; L148-V211 HydrophobicContact CD2-CG1 4.28Å; L148-V211 HydrophobicContact CG-CG1 4.3Å; F149-V211 CarbonylContact O-C 3.6Å; F149-V211 WeakPolarHBondContact O-CA 3.44Å; H150-V211 HydrophobicContact CB-CG2 4.19Å; L200-V211 HydrophobicContact CB-CG1 4.41Å; L200-V211 HydrophobicContact CD1-CG1 4.17Å; L200-V211 HydrophobicContact CD1-CG2 4.33Å; L200-V211 HydrophobicContact CD2-CG2 3.7Å; L200-V211 HydrophobicContact CG-CG2 4.45Å; L202-V211 WeakPolarHBondContact O-CG1 3.15Å; V203-V211 CarbonylContact C-O 3.52Å; V203-V211 VanDerWaalsContact CA-O 3.3Å; V203-V211 WeakPolarHBondContact CA-O 3.4Å; V203-V211 VanDerWaalsContact CG1-O 3.31Å; V203-V211 WeakPolarHBondContact CG1-O 3.27Å; G204-V211 PolarHBondContact N-O 2.87Å; G204-V211 PolarHBondContact O-N 2.63Å; T206-V211 HydrophobicContact CG2-CG2 3.53Å
212	V	98.1	Very high	95.4	Very high	18 Å²	18	50 Å²	50	11%	0.109	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	159	176.8	-59.1	0	0	0	0	111.2	L148 F149 L151 T210 F217	L148-V212 WeakPolarHBondContact CA-O 3.47Å; F149-V212 HydrophobicContact CB-CG2 3.91Å; F149-V212 PolarHBondContact N-O 2.89Å; F149-V212 PolarHBondContact O-N 2.97Å; L151-V212 HydrophobicContact CD1-CG1 4.23Å; L151-V212 HydrophobicContact CD1-CG2 3.82Å; L151-V212 HydrophobicContact CD2-CG2 4.18Å; L151-V212 HydrophobicContact CG-CG2 3.93Å; T210-V212 HydrophobicContact CG2-CG1 4.11Å; V212-F217 HydrophobicContact CG2-CB 3.98Å
213	D	95.2	Very high	94.4	Very high	66 Å²	66	51.9 Å²	51.9	35%	0.353	30%	0.298	S	S	.	.			trans	-85.3	-174.7	169.8	67.3	9.6	0	0	0	110.8	L148 V203 N215 G216 F217	L148-D213 HydrophobicContact CD2-CB 4.5Å; V203-D213 HydrophobicContact CG2-CB 3.91Å; D213-N215 VanDerWaalsContact C-N 3.32Å; D213-N215 PolarHBondContact O-N 3.41Å; D213-N215 PolarHBondContact OD1-N 2.76Å; D213-N215 VanDerWaalsContact OD1-N 3.12Å; D213-G216 PolarHBondContact O-N 3.34Å; D213-G216 PolarHBondContact OD1-N 3.18Å; D213-F217 WeakPolarHBondContact O-CB 3.26Å; D213-F217 PolarHBondContact O-N 3.36Å
214	W	95.2	Very high	94.2	Very high	13 Å²	13	50.8 Å²	50.8	5%	0.049	29%	0.291	C	S	.	.	H	α-helix	trans	-52.3	-46.8	177	178.5	-107.3	0	0	0	113.7	V131 L135 R136 E138 F149 F217 L218	V131-W214 HydrophobicContact CG1-CH2 3.84Å; V131-W214 HydrophobicContact CG1-CZ2 4.02Å; L135-W214 HydrophobicContact CB-CH2 3.94Å; L135-W214 HydrophobicContact CB-CZ3 3.82Å; L135-W214 HydrophobicContact CD1-CZ3 3.99Å; R136-W214 WeakPolarHBondContact O-CH2 3.24Å; E138-W214 HydrophobicContact CB-CB 4.27Å; E138-W214 HydrophobicContact CB-CD2 4.13Å; E138-W214 HydrophobicContact CB-CG 3.99Å; E138-W214 WeakPolarHBondContact OE2-CB 3.13Å; F149-W214 HydrophobicContact CE2-CB 4.5Å; F149-W214 AromaticContact CE2-CE3 3.94Å; F149-W214 HydrophobicContact CE2-CE3 3.94Å; F149-W214 AromaticContact CZ-CE3 3.7Å; F149-W214 HydrophobicContact CZ-CE3 3.7Å; F149-W214 HydrophobicContact CZ-CZ3 4.02Å; W214-F217 PolarHBondContact O-N 3.02Å; W214-L218 HydrophobicContact CD2-CD1 4.43Å; W214-L218 HydrophobicContact CD2-CG 4.47Å; W214-L218 HydrophobicContact CZ2-CD1 4.05Å; W214-L218 HydrophobicContact CZ2-CD2 4.25Å; W214-L218 HydrophobicContact CZ2-CG 4.41Å; W214-L218 WeakPolarHBondContact O-CG 3.48Å; W214-L218 PolarHBondContact O-N 2.97Å
215	N	95.1	Very high	94.1	Very high	87 Å²	87	51.8 Å²	51.8	47%	0.465	29%	0.289	S	S	.	.	H	α-helix	trans	-68.9	-39.9	-177.9	-67.5	-39	0	0	0	111.4	D213 S219	D213-N215 VanDerWaalsContact C-N 3.32Å; D213-N215 PolarHBondContact O-N 3.41Å; D213-N215 PolarHBondContact OD1-N 2.76Å; D213-N215 VanDerWaalsContact OD1-N 3.12Å; N215-S219 VanDerWaalsContact O-CB 3.24Å; N215-S219 WeakPolarHBondContact O-CB 3.46Å; N215-S219 PolarHBondContact O-N 3.07Å; N215-S219 PolarHBondContact O-OG 2.9Å
216	G	96.7	Very high	93.9	Very high	22 Å²	22	46.7 Å²	46.7	23%	0.227	27%	0.268	C	S	.	.	H	α-helix	trans	-64.8	-38.4	174.2	0	0	0	0	0	112.5	D213 S219 H220	D213-G216 PolarHBondContact O-N 3.34Å; D213-G216 PolarHBondContact OD1-N 3.18Å; G216-S219 PolarHBondContact O-N 3.17Å; G216-H220 VanDerWaalsContact O-CB 3.28Å; G216-H220 WeakPolarHBondContact O-CB 3.09Å; G216-H220 PolarHBondContact O-N 2.96Å
217	F	96.5	Very high	93.8	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-62.4	-50.4	175.2	175.9	-109.2	0	0	0	111.6	V52 F127 V131 L135 F149 L151 V212 D213 W214 S219 H220 F221	V52-F217 HydrophobicContact CG1-CD2 4.49Å; V52-F217 HydrophobicContact CG1-CE2 4.01Å; V52-F217 HydrophobicContact CG2-CE2 4.44Å; F127-F217 AromaticContact CE2-CE1 3.63Å; F127-F217 HydrophobicContact CE2-CE1 3.63Å; F127-F217 HydrophobicContact CE2-CE2 4.08Å; F127-F217 AromaticContact CE2-CZ 3.38Å; F127-F217 HydrophobicContact CE2-CZ 3.38Å; F127-F217 HydrophobicContact CZ-CD1 4.01Å; F127-F217 AromaticContact CZ-CE1 3.46Å; F127-F217 HydrophobicContact CZ-CE1 3.46Å; F127-F217 VanDerWaalsContact CZ-CE1 3.46Å; F127-F217 HydrophobicContact CZ-CE2 4.42Å; F127-F217 AromaticContact CZ-CZ 3.72Å; F127-F217 HydrophobicContact CZ-CZ 3.72Å; V131-F217 HydrophobicContact CG2-CE1 4.24Å; L135-F217 HydrophobicContact CD1-CD1 4.41Å; L135-F217 HydrophobicContact CD1-CE1 3.55Å; L135-F217 HydrophobicContact CD1-CZ 4.09Å; F149-F217 HydrophobicContact CB-CB 4.13Å; F149-F217 HydrophobicContact CB-CD2 3.85Å; F149-F217 HydrophobicContact CB-CG 4.21Å; F149-F217 HydrophobicContact CD1-CB 4.24Å; F149-F217 HydrophobicContact CD1-CD1 4.04Å; F149-F217 AromaticContact CD1-CD2 3.58Å; F149-F217 HydrophobicContact CD1-CD2 3.58Å; F149-F217 HydrophobicContact CD1-CE1 4.27Å; F149-F217 AromaticContact CD1-CE2 3.83Å; F149-F217 HydrophobicContact CD1-CE2 3.83Å; F149-F217 AromaticContact CD1-CG 3.68Å; F149-F217 HydrophobicContact CD1-CG 3.68Å; F149-F217 HydrophobicContact CD1-CZ 4.16Å; F149-F217 HydrophobicContact CD2-CB 3.59Å; F149-F217 HydrophobicContact CD2-CD2 4.42Å; F149-F217 AromaticContact CD2-CG 3.96Å; F149-F217 HydrophobicContact CD2-CG 3.96Å; F149-F217 AromaticContact CE1-CD1 3.88Å; F149-F217 HydrophobicContact CE1-CD1 3.88Å; F149-F217 HydrophobicContact CE1-CD2 4.25Å; F149-F217 HydrophobicContact CE1-CE1 4.01Å; F149-F217 HydrophobicContact CE1-CE2 4.37Å; F149-F217 AromaticContact CE1-CG 4Å; F149-F217 HydrophobicContact CE1-CG 4Å; F149-F217 HydrophobicContact CE1-CZ 4.24Å; F149-F217 HydrophobicContact CE2-CB 4.05Å; F149-F217 HydrophobicContact CE2-CD1 4.4Å; F149-F217 HydrophobicContact CE2-CG 4.27Å; F149-F217 HydrophobicContact CG-CB 3.72Å; F149-F217 HydrophobicContact CG-CD1 4.38Å; F149-F217 AromaticContact CG-CD2 3.69Å; F149-F217 HydrophobicContact CG-CD2 3.69Å; F149-F217 HydrophobicContact CG-CE2 4.39Å; F149-F217 AromaticContact CG-CG 3.67Å; F149-F217 HydrophobicContact CG-CG 3.67Å; F149-F217 HydrophobicContact CZ-CD1 4.08Å; F149-F217 HydrophobicContact CZ-CG 4.29Å; L151-F217 HydrophobicContact CD2-CD2 4.04Å; V212-F217 HydrophobicContact CG2-CB 3.98Å; D213-F217 WeakPolarHBondContact O-CB 3.26Å; D213-F217 PolarHBondContact O-N 3.36Å; W214-F217 PolarHBondContact O-N 3.02Å; F217-S219 PolarHBondContact O-N 3.2Å; F217-H220 PolarHBondContact O-N 2.86Å; F217-F221 AromaticContact CD2-CD2 3.7Å; F217-F221 HydrophobicContact CD2-CD2 3.7Å; F217-F221 AromaticContact CD2-CE2 3.62Å; F217-F221 HydrophobicContact CD2-CE2 3.62Å; F217-F221 AromaticContact CE2-CD2 3.55Å; F217-F221 HydrophobicContact CE2-CD2 3.55Å; F217-F221 AromaticContact CE2-CE2 3.41Å; F217-F221 HydrophobicContact CE2-CE2 3.41Å; F217-F221 VanDerWaalsContact CE2-CE2 3.41Å; F217-F221 HydrophobicContact CG-CD2 4.46Å; F217-F221 HydrophobicContact CZ-CD2 4.2Å; F217-F221 HydrophobicContact CZ-CE2 4.4Å; F217-F221 WeakPolarHBondContact O-CD2 3.29Å; F217-F221 PolarHBondContact O-N 3.1Å
218	L	95.1	Very high	93.8	Very high	33 Å²	33	44.2 Å²	44.2	17%	0.173	25%	0.248	C	C	.	.	H	α-helix	trans	-61	-46.2	176	-65.1	-176.2	0	0	0	111.2	F127 V131 W214 H220 F221 M222	F127-L218 HydrophobicContact CE1-CD2 4.06Å; F127-L218 HydrophobicContact CZ-CD2 4.29Å; V131-L218 HydrophobicContact CG1-CD2 3.84Å; V131-L218 HydrophobicContact CG2-CD2 3.83Å; W214-L218 HydrophobicContact CD2-CD1 4.43Å; W214-L218 HydrophobicContact CD2-CG 4.47Å; W214-L218 HydrophobicContact CZ2-CD1 4.05Å; W214-L218 HydrophobicContact CZ2-CD2 4.25Å; W214-L218 HydrophobicContact CZ2-CG 4.41Å; W214-L218 WeakPolarHBondContact O-CG 3.48Å; W214-L218 PolarHBondContact O-N 2.97Å; L218-H220 VanDerWaalsContact C-N 3.28Å; L218-H220 PolarHBondContact O-N 2.84Å; L218-F221 PolarHBondContact O-N 3.02Å; L218-M222 HydrophobicContact CB-SD 4.21Å; L218-M222 HydrophobicContact CD2-CE 4.06Å; L218-M222 HydrophobicContact CD2-SD 4.21Å; L218-M222 VanDerWaalsContact O-CB 3.24Å; L218-M222 WeakPolarHBondContact O-CB 3.22Å; L218-M222 WeakPolarHBondContact O-CG 3.08Å; L218-M222 PolarHBondContact O-N 2.87Å
219	S	94.7	Very high	93.7	Very high	63 Å²	63	46.1 Å²	46.1	44%	0.441	26%	0.26	S	S	.	.	H	α-helix	trans	-63.9	-32.6	-178.8	-59.4	0	0	0	0	113	N215 G216 F217 N223	N215-S219 VanDerWaalsContact O-CB 3.24Å; N215-S219 WeakPolarHBondContact O-CB 3.46Å; N215-S219 PolarHBondContact O-N 3.07Å; N215-S219 PolarHBondContact O-OG 2.9Å; G216-S219 PolarHBondContact O-N 3.17Å; F217-S219 PolarHBondContact O-N 3.2Å; S219-N223 WeakPolarHBondContact CA-ND2 3.35Å; S219-N223 WeakPolarHBondContact O-CB 3.43Å; S219-N223 PolarHBondContact O-ND2 2.79Å
220	H	94.4	Very high	93.4	Very high	66 Å²	66	48.6 Å²	48.6	31%	0.306	27%	0.271	S	S	.	.	H	α-helix	trans	-70.5	-37	179.7	-172	95.2	0	0	0	112.3	F50 K106 L151 G216 F217 L218	F50-H220 AromaticContact CE1-NE2 3.96Å; F50-H220 AromaticContact CE2-NE2 3.53Å; F50-H220 AromaticContact CZ-CE1 3.97Å; F50-H220 AromaticContact CZ-NE2 3.48Å; F50-H220 WeakPolarHBondContact CZ-NE2 3.19Å; K106-H220 PolarHBondContact NZ-O 2.9Å; L151-H220 HydrophobicContact CD1-CB 3.96Å; G216-H220 VanDerWaalsContact O-CB 3.28Å; G216-H220 WeakPolarHBondContact O-CB 3.09Å; G216-H220 PolarHBondContact O-N 2.96Å; F217-H220 PolarHBondContact O-N 2.86Å; L218-H220 VanDerWaalsContact C-N 3.28Å; L218-H220 PolarHBondContact O-N 2.84Å
221	F	93.8	Very high	93	Very high	3 Å²	3	48.8 Å²	48.8	1%	0.013	27%	0.269	C	S	.	.	H	α-helix	trans	-103.7	-17.9	-173.1	-69.2	-62.7	0	0	0	115	F50 V52 V104 V112 F127 L151 F217 L218	F50-F221 HydrophobicContact CB-CE1 4.38Å; F50-F221 HydrophobicContact CB-CZ 4.07Å; F50-F221 AromaticContact CD2-CE1 3.91Å; F50-F221 HydrophobicContact CD2-CE1 3.91Å; F50-F221 HydrophobicContact CD2-CZ 4.25Å; F50-F221 HydrophobicContact CG-CE1 4.36Å; F50-F221 HydrophobicContact CG-CZ 4.26Å; V52-F221 HydrophobicContact CG2-CE2 4.13Å; V52-F221 HydrophobicContact CG2-CZ 3.99Å; V104-F221 HydrophobicContact CB-CD1 4.4Å; V104-F221 HydrophobicContact CB-CE1 3.81Å; V104-F221 HydrophobicContact CB-CE2 4.43Å; V104-F221 HydrophobicContact CB-CZ 3.83Å; V104-F221 HydrophobicContact CG1-CD1 3.5Å; V104-F221 HydrophobicContact CG1-CD2 4.32Å; V104-F221 HydrophobicContact CG1-CE1 3.4Å; V104-F221 HydrophobicContact CG1-CE2 4.23Å; V104-F221 HydrophobicContact CG1-CG 3.99Å; V104-F221 HydrophobicContact CG1-CZ 3.79Å; V104-F221 HydrophobicContact CG2-CZ 4.32Å; V112-F221 HydrophobicContact CG1-CB 4.27Å; V112-F221 HydrophobicContact CG1-CD1 4.11Å; V112-F221 HydrophobicContact CG1-CG 4.49Å; V112-F221 VanDerWaalsContact CG2-O 3.23Å; V112-F221 WeakPolarHBondContact CG2-O 3.44Å; F127-F221 HydrophobicContact CD1-CB 4.3Å; F127-F221 HydrophobicContact CD2-CB 3.99Å; F127-F221 HydrophobicContact CD2-CG 4.35Å; F127-F221 HydrophobicContact CE1-CB 3.84Å; F127-F221 HydrophobicContact CE2-CB 3.5Å; F127-F221 AromaticContact CE2-CD2 3.68Å; F127-F221 HydrophobicContact CE2-CD2 3.68Å; F127-F221 AromaticContact CE2-CG 3.75Å; F127-F221 HydrophobicContact CE2-CG 3.75Å; F127-F221 HydrophobicContact CG-CB 4.36Å; F127-F221 HydrophobicContact CZ-CB 3.44Å; F127-F221 VanDerWaalsContact CZ-CB 3.44Å; F127-F221 AromaticContact CZ-CD2 3.95Å; F127-F221 HydrophobicContact CZ-CD2 3.95Å; F127-F221 HydrophobicContact CZ-CG 4.06Å; L151-F221 HydrophobicContact CD1-CE2 4.37Å; L151-F221 HydrophobicContact CD2-CE2 3.89Å; L151-F221 HydrophobicContact CD2-CZ 4.31Å; F217-F221 AromaticContact CD2-CD2 3.7Å; F217-F221 HydrophobicContact CD2-CD2 3.7Å; F217-F221 AromaticContact CD2-CE2 3.62Å; F217-F221 HydrophobicContact CD2-CE2 3.62Å; F217-F221 AromaticContact CE2-CD2 3.55Å; F217-F221 HydrophobicContact CE2-CD2 3.55Å; F217-F221 AromaticContact CE2-CE2 3.41Å; F217-F221 HydrophobicContact CE2-CE2 3.41Å; F217-F221 VanDerWaalsContact CE2-CE2 3.41Å; F217-F221 HydrophobicContact CG-CD2 4.46Å; F217-F221 HydrophobicContact CZ-CD2 4.2Å; F217-F221 HydrophobicContact CZ-CE2 4.4Å; F217-F221 WeakPolarHBondContact O-CD2 3.29Å; F217-F221 PolarHBondContact O-N 3.1Å; L218-F221 PolarHBondContact O-N 3.02Å
222	M	86.6	Confident	92.5	Very high	97 Å²	97	52.7 Å²	52.7	48%	0.478	29%	0.291	S	S	.	.	H	α-helix	trans	-94.9	-15.1	176.9	-66.2	-179.8	160.2	0	0	114.1	F127 L218	F127-M222 HydrophobicContact CD1-CE 3.95Å; F127-M222 HydrophobicContact CD1-CG 4.04Å; F127-M222 HydrophobicContact CE1-CE 3.81Å; F127-M222 HydrophobicContact CE1-CG 3.76Å; F127-M222 HydrophobicContact CE1-SD 4.39Å; L218-M222 HydrophobicContact CB-SD 4.21Å; L218-M222 HydrophobicContact CD2-CE 4.06Å; L218-M222 HydrophobicContact CD2-SD 4.21Å; L218-M222 VanDerWaalsContact O-CB 3.24Å; L218-M222 WeakPolarHBondContact O-CB 3.22Å; L218-M222 WeakPolarHBondContact O-CG 3.08Å; L218-M222 PolarHBondContact O-N 2.87Å
223	N	69.2	Low	92	Very high	164 Å²	164	55.8 Å²	55.8	88%	0.877	31%	0.307	S	S	*	.			trans	-104.4	0	-180	-60.9	-45.9	0	0	0	113.4	K106 S219	K106-N223 VanDerWaalsContact CE-O 3.23Å; K106-N223 WeakPolarHBondContact CE-O 3.49Å; K106-N223 PolarHBondContact NZ-O 3.33Å; S219-N223 WeakPolarHBondContact CA-ND2 3.35Å; S219-N223 WeakPolarHBondContact O-CB 3.43Å; S219-N223 PolarHBondContact O-ND2 2.79Å

Retrieved 223 of 223 residues in 549.8 ms (Link to these results)

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