A0A077ZBC5_TRITR Loading...

JAB domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZBC5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 225 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.3	Very low	29.6	Very low	247 Å²	247	166.8 Å²	166.8	100%	1.217	79%	0.788	S	S	*	*				0	114.6	0	-73.7	-179.9	-174.1	0	0	106.9
2	D	31.7	Very low	30.3	Very low	155 Å²	155	161.7 Å²	161.7	83%	0.829	77%	0.768	S	S	*	*			trans	-52.9	143.1	-170	-75.5	-61.4	0	0	0	116.1
3	K	31.2	Very low	30.4	Very low	202 Å²	202	157.4 Å²	157.4	88%	0.878	76%	0.762	S	S	*	*				175.2	75.7	117.1	-89.6	171.6	-173	-172.2	0	109.2	F5	K3-F5 PolarHBondContact O-N 2.75Å
4	R	25.4	Very low	31.3	Very low	234 Å²	234	147.9 Å²	147.9	88%	0.883	72%	0.72	S	S	*	*			trans	-70.8	119.2	153.2	-73.9	-178.6	-159.9	161	6.4	105.9
5	F	28.1	Very low	31.9	Very low	189 Å²	189	148.3 Å²	148.3	83%	0.829	72%	0.72	S	S	*	*			trans	164.9	55	145.4	-87.2	-68.2	0	0	0	106.8	K3 S7 I8	K3-F5 PolarHBondContact O-N 2.75Å; F5-S7 PolarHBondContact O-N 3.19Å; F5-I8 HydrophobicContact CE1-CD1 4.4Å
6	E	25.5	Very low	32.5	Very low	180 Å²	180	144.4 Å²	144.4	84%	0.841	71%	0.711	S	S	*	*			trans	-71.1	115.7	157	-79	178.3	150.7	0	0	107.1	I8	E6-I8 PolarHBondContact O-N 2.95Å
7	S	26.7	Very low	32.6	Very low	92 Å²	92	145.6 Å²	145.6	64%	0.643	71%	0.714	S	S	*	*			trans	37.7	84.5	148.3	61.2	0	0	0	0	116.4	F5 Q9	F5-S7 PolarHBondContact O-N 3.19Å; S7-Q9 PolarHBondContact O-N 3.28Å
8	I	28	Very low	32.8	Very low	115 Å²	115	148 Å²	148	59%	0.59	72%	0.72	S	S	*	*			trans	-76.7	88.4	156.8	-61.1	176.8	0	0	0	106.4	F5 E6 L10	F5-I8 HydrophobicContact CE1-CD1 4.4Å; E6-I8 PolarHBondContact O-N 2.95Å; I8-L10 PolarHBondContact O-N 3.42Å
9	Q	27.5	Very low	33.1	Very low	149 Å²	149	145.5 Å²	145.5	70%	0.696	71%	0.71	S	S	*	*			trans	-58.9	117.9	170.9	-71.8	-92.4	-48.9	0	0	109	S7 K11	S7-Q9 PolarHBondContact O-N 3.28Å; Q9-K11 PolarHBondContact O-N 2.95Å
10	L	32.8	Very low	33.3	Very low	88 Å²	88	145.2 Å²	145.2	46%	0.461	71%	0.711	S	S	.	*			trans	-58.1	113.4	165.3	-74.1	91.7	0	0	0	108.6	I8 L12 F137	I8-L10 PolarHBondContact O-N 3.42Å; L10-L12 VanDerWaalsContact C-N 3.33Å; L10-L12 PolarHBondContact O-N 3.09Å; L10-F137 HydrophobicContact CB-CD1 4.46Å; L10-F137 HydrophobicContact CB-CE1 4.47Å; L10-F137 HydrophobicContact CD1-CD1 3.88Å; L10-F137 HydrophobicContact CD1-CE1 3.11Å; L10-F137 HydrophobicContact CD1-CZ 3.55Å; L10-F137 HydrophobicContact CD2-CD1 3.66Å; L10-F137 HydrophobicContact CD2-CD2 4.29Å; L10-F137 HydrophobicContact CD2-CE1 3.61Å; L10-F137 HydrophobicContact CD2-CE2 4.2Å; L10-F137 HydrophobicContact CD2-CG 4.03Å; L10-F137 HydrophobicContact CD2-CZ 3.86Å; L10-F137 HydrophobicContact CG-CD1 4.18Å; L10-F137 HydrophobicContact CG-CE1 3.86Å; L10-F137 HydrophobicContact CG-CZ 4.32Å
11	K	34.4	Very low	33.3	Very low	184 Å²	184	144.4 Å²	144.4	80%	0.8	72%	0.719	S	S	*	*			trans	-97.7	43.1	176.4	-83.6	-170.8	175.9	-179.9	0	111.9	Q9	Q9-K11 PolarHBondContact O-N 2.95Å
12	L	38	Very low	33.4	Very low	105 Å²	105	138.9 Å²	138.9	55%	0.55	70%	0.695	S	S	.	*			trans	-133	80.5	165.5	-69	173.1	0	0	0	107.8	L10 C14 A97	L10-L12 VanDerWaalsContact C-N 3.33Å; L10-L12 PolarHBondContact O-N 3.09Å; L12-C14 PolarHBondContact O-N 3.44Å; L12-A97 HydrophobicContact CD1-CB 3.78Å
13	P	32.3	Very low	33.5	Very low	106 Å²	106	141.8 Å²	141.8	69%	0.688	69%	0.694	S	S	*	*			trans	-60.1	133.2	168.9	26	-30.9	0	0	0	108.1	Q15	P13-Q15 PolarHBondContact O-N 3.29Å
14	C	42.4	Very low	33.8	Very low	25 Å²	25	139.9 Å²	139.9	17%	0.169	69%	0.69	C	S	.	*			trans	-51.2	132.7	151.9	57.5	0	0	0	0	106.3	L12 C16	L12-C14 PolarHBondContact O-N 3.44Å; C14-C16 HydrophobicContact CB-CB 4.1Å; C14-C16 WeakPolarHBondContact CB-SG 3.49Å; C14-C16 PolarHBondContact O-N 2.93Å; C14-C16 PolarHBondContact O-SG 3.45Å; C14-C16 WeakPolarHBondContact SG-CB 3.35Å; C14-C16 CovalentContact SG-SG 2.08Å; C14-C16 PolarHBondContact SG-SG 3.14Å
15	Q	40.2	Very low	34.7	Very low	154 Å²	154	133 Å²	133	72%	0.72	67%	0.674	S	S	*	*			trans	-77.1	48.7	169.5	-67.1	-170.7	-4.6	0	0	109.7	P13 Q17 E108	P13-Q15 PolarHBondContact O-N 3.29Å; Q15-Q17 PolarHBondContact O-N 3.05Å; Q15-E108 WeakPolarHBondContact CB-OE1 3.38Å; Q15-E108 PolarHBondContact N-OE1 2.75Å
16	C	40.9	Very low	35.3	Very low	86 Å²	86	129.6 Å²	129.6	58%	0.581	67%	0.669	S	S	*	*			trans	-71.9	50.9	163.5	45.9	0	0	0	0	109	C14	C14-C16 HydrophobicContact CB-CB 4.1Å; C14-C16 WeakPolarHBondContact CB-SG 3.49Å; C14-C16 PolarHBondContact O-N 2.93Å; C14-C16 PolarHBondContact O-SG 3.45Å; C14-C16 WeakPolarHBondContact SG-CB 3.35Å; C14-C16 CovalentContact SG-SG 2.08Å; C14-C16 PolarHBondContact SG-SG 3.14Å
17	Q	34.4	Very low	36.1	Very low	164 Å²	164	126.1 Å²	126.1	77%	0.766	66%	0.656	S	S	*	*			trans	-86.2	118.6	177.1	-77.6	-167.9	-9.3	0	0	111	Q15	Q15-Q17 PolarHBondContact O-N 3.05Å
18	K	36.3	Very low	37.4	Very low	189 Å²	189	122 Å²	122	82%	0.822	63%	0.627	S	S	*	*			trans	64.7	72.8	162.5	-58.7	-177.6	-176	177.4	0	116.3
19	L	39.3	Very low	39.4	Very low	101 Å²	101	119.6 Å²	119.6	53%	0.529	62%	0.621	S	S	.	*			trans	-94.7	107.3	151.6	-73.2	165	0	0	0	107	K65	L19-K65 HydrophobicContact CB-CD 4.38Å; L19-K65 HydrophobicContact CB-CG 3.92Å; L19-K65 HydrophobicContact CD1-CG 3.68Å; L19-K65 HydrophobicContact CD2-CG 4.04Å; L19-K65 HydrophobicContact CG-CG 4.08Å
20	D	36.2	Very low	41.9	Very low	138 Å²	138	112.6 Å²	112.6	74%	0.738	59%	0.588	S	S	*	*			trans	-43.9	141.5	-173.5	-85.9	-40.1	0	0	0	113.3	D22 K65	D20-D22 PolarHBondContact O-N 3.24Å; D20-K65 WeakPolarHBondContact O-CE 3.47Å; D20-K65 PolarHBondContact O-NZ 3.49Å
21	C	34.7	Very low	44.6	Very low	130 Å²	130	111.4 Å²	111.4	88%	0.878	58%	0.579	S	S	*	*			trans	-70.9	68	177.5	67.1	0	0	0	0	111.4
22	D	34.8	Very low	47.4	Very low	130 Å²	130	102.6 Å²	102.6	70%	0.695	54%	0.541	S	S	*	.			trans	-77	129.1	169.1	-136.8	-12.5	0	0	0	109.5	D20	D20-D22 PolarHBondContact O-N 3.24Å
23	R	34.5	Very low	50.1	Low	217 Å²	217	98.6 Å²	98.6	82%	0.819	52%	0.52	S	S	*	.			trans	-49.9	137.7	-168.5	-70.4	167.3	161.2	155.5	-5.8	112	V25	R23-V25 VanDerWaalsContact O-CG2 3.23Å; R23-V25 WeakPolarHBondContact O-CG2 3.43Å; R23-V25 PolarHBondContact O-N 3.42Å
24	M	37	Very low	53	Low	161 Å²	161	93.6 Å²	93.6	79%	0.793	49%	0.487	S	S	*	.			trans	2.9	76.6	161.6	-69.5	170.6	113.5	0	0	114.7
25	V	43.8	Very low	55.4	Low	90 Å²	90	94.9 Å²	94.9	55%	0.545	49%	0.488	S	S	.	.			trans	-97.8	112.1	168	-178.8	0	0	0	0	106.8	R23 D27	R23-V25 VanDerWaalsContact O-CG2 3.23Å; R23-V25 WeakPolarHBondContact O-CG2 3.43Å; R23-V25 PolarHBondContact O-N 3.42Å; V25-D27 PolarHBondContact O-N 2.95Å
26	T	41.8	Very low	57.9	Low	117 Å²	117	88.5 Å²	88.5	72%	0.718	46%	0.461	S	S	*	.			trans	-85	18	-175.3	49	0	0	0	0	113.6
27	D	42.8	Very low	60.3	Low	107 Å²	107	88.4 Å²	88.4	57%	0.572	45%	0.454	S	S	*	.			trans	-144.7	110	178.4	-157	5.8	0	0	0	110.5	V25 T176	V25-D27 PolarHBondContact O-N 2.95Å; D27-T176 VanDerWaalsContact OD1-CB 3.27Å; D27-T176 WeakPolarHBondContact OD1-CB 3.14Å; D27-T176 PolarHBondContact OD1-OG1 2.86Å
28	T	53.6	Low	63.1	Low	5 Å²	5	80.6 Å²	80.6	3%	0.031	42%	0.417	C	S	.	.			trans	-146.5	92.7	-168.5	62.4	0	0	0	0	108	E30 Y66 R174	T28-E30 PolarHBondContact O-N 2.76Å; T28-Y66 HydrophobicContact CG2-CD1 3.83Å; T28-Y66 HydrophobicContact CG2-CE1 3.05Å; T28-Y66 HydrophobicContact CG2-CE2 4.44Å; T28-Y66 WeakPolarHBondContact CG2-OH 3.21Å; T28-R174 WeakPolarHBondContact OG1-CD 3.36Å; T28-R174 WeakPolarHBondContact OG1-CG 3.4Å
29	S	70.2	Confident	65.8	Low	66 Å²	66	73.1 Å²	73.1	46%	0.462	39%	0.386	S	S	.	.			trans	-63.2	68.9	179.7	59.2	0	0	0	0	111.4	K31	S29-K31 PolarHBondContact O-N 2.88Å
30	E	80.1	Confident	68.3	Low	1 Å²	1	73.9 Å²	73.9	1%	0.005	39%	0.39	C	S	.	.			trans	-68.7	125	-175.6	-167.8	172.1	169.5	0	0	108.7	T28 Y66 R160 R174 L202	T28-E30 PolarHBondContact O-N 2.76Å; E30-Y66 CarbonylContact C-O 3.47Å; E30-Y66 WeakPolarHBondContact CA-O 3.42Å; E30-Y66 WeakPolarHBondContact CG-O 3.47Å; E30-R160 IonicContact OE1-CZ 2.71Å; E30-R160 IonicContact OE1-NE 2.75Å; E30-R160 PolarHBondContact OE1-NE 2.91Å; E30-R160 IonicContact OE1-NH2 2.72Å; E30-R160 PolarHBondContact OE1-NH2 2.76Å; E30-R160 IonicContact OE2-NE 3.76Å; E30-R174 IonicContact OE2-CZ 2.95Å; E30-R174 IonicContact OE2-NH1 2.85Å; E30-R174 PolarHBondContact OE2-NH1 2.98Å; E30-L202 HydrophobicContact CB-CD2 3.86Å; E30-L202 HydrophobicContact CG-CD2 3.79Å
31	K	89	Confident	71.1	Confident	63 Å²	63	70 Å²	70	27%	0.274	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	146.2	-174.9	66.7	-179.4	-169.7	163.2	0	111.5	S29 L33 Y66 T67 V68 H203 E205	S29-K31 PolarHBondContact O-N 2.88Å; K31-L33 HydrophobicContact CD-CD2 4.11Å; K31-L33 HydrophobicContact CG-CD2 4.34Å; K31-Y66 PolarHBondContact N-O 3.19Å; K31-T67 HydrophobicContact CG-CG2 4.38Å; K31-T67 WeakPolarHBondContact O-CA 3.19Å; K31-V68 PolarHBondContact O-N 3.24Å; K31-H203 CarbonylContact C-O 3.58Å; K31-H203 VanDerWaalsContact CA-O 3.27Å; K31-H203 WeakPolarHBondContact CA-O 3.42Å; K31-E205 IonicContact NZ-OE2 3.5Å; K31-E205 PolarHBondContact NZ-OE2 3.15Å
32	V	92.7	Very high	73.9	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	114.5	175.3	-179.4	0	0	0	0	107.6	M34 V68 V70 I142 A158 L202 H203 V204 E205	V32-M34 PolarHBondContact O-N 3.22Å; V32-V68 CarbonylContact C-O 3.51Å; V32-V68 WeakPolarHBondContact CA-O 3.35Å; V32-V70 HydrophobicContact CG1-CG2 3.84Å; V32-I142 HydrophobicContact CG1-CD1 3.71Å; V32-I142 HydrophobicContact CG2-CD1 4.01Å; V32-I142 HydrophobicContact CG2-CG2 4.27Å; V32-A158 HydrophobicContact CG2-CB 4.08Å; V32-L202 HydrophobicContact CG2-CB 4.09Å; V32-L202 HydrophobicContact CG2-CD1 3.96Å; V32-H203 PolarHBondContact N-O 3.22Å; V32-V204 HydrophobicContact CB-CG2 4.37Å; V32-V204 CarbonylContact O-C 3.46Å; V32-V204 WeakPolarHBondContact O-CA 3.25Å; V32-E205 PolarHBondContact O-N 2.95Å
33	L	94.1	Very high	76.7	Confident	21 Å²	21	59.8 Å²	59.8	11%	0.11	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	105.5	173	-56.8	-174.5	0	0	0	108.3	K31 T67 V68 V70 E205 T207	K31-L33 HydrophobicContact CD-CD2 4.11Å; K31-L33 HydrophobicContact CG-CD2 4.34Å; L33-T67 HydrophobicContact CD1-CG2 3.55Å; L33-T67 HydrophobicContact CG-CG2 3.72Å; L33-V68 PolarHBondContact N-O 3.13Å; L33-V70 PolarHBondContact O-N 3.04Å; L33-E205 CarbonylContact C-O 3.56Å; L33-E205 WeakPolarHBondContact CA-O 3.3Å; L33-E205 HydrophobicContact CD2-CB 3.82Å; L33-E205 HydrophobicContact CD2-CG 4.19Å; L33-E205 WeakPolarHBondContact CD2-OE2 3.19Å; L33-T207 HydrophobicContact CB-CG2 4.05Å; L33-T207 HydrophobicContact CD1-CG2 4.23Å; L33-T207 HydrophobicContact CD2-CG2 3.77Å; L33-T207 HydrophobicContact CG-CG2 4.22Å
34	M	94	Very high	79.4	Confident	1 Å²	1	54.8 Å²	54.8	1%	0.005	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	123	-179.4	-172	157.8	-79.8	0	0	110.8	V32 L39 I42 V70 V144 I156 V204 E205 Y206 T207	V32-M34 PolarHBondContact O-N 3.22Å; M34-L39 HydrophobicContact CG-CB 4.28Å; M34-L39 HydrophobicContact SD-CB 4.4Å; M34-L39 HydrophobicContact SD-CD1 4.27Å; M34-I42 HydrophobicContact CE-CD1 4.22Å; M34-V70 HydrophobicContact CE-CB 4.41Å; M34-V70 HydrophobicContact CE-CG1 4.27Å; M34-V70 HydrophobicContact CE-CG2 4.44Å; M34-V144 HydrophobicContact CE-CG1 4.48Å; M34-V144 HydrophobicContact CE-CG2 4.36Å; M34-I156 HydrophobicContact SD-CD1 4.45Å; M34-I156 HydrophobicContact SD-CG2 4.42Å; M34-V204 HydrophobicContact CB-CG1 3.99Å; M34-E205 PolarHBondContact N-O 3.44Å; M34-Y206 HydrophobicContact CB-CD1 4.15Å; M34-Y206 HydrophobicContact CB-CE1 4.34Å; M34-T207 PolarHBondContact O-N 2.97Å
35	R	93.4	Very high	82.1	Confident	51 Å²	51	48.2 Å²	48.2	19%	0.192	26%	0.256	C	S	.	.			trans	-77.1	152.3	174.3	-66.1	-66.6	162.2	170.7	-7.3	111.6	L37 A38 L39 V70 T71 T207	R35-L37 VanDerWaalsContact C-N 3.27Å; R35-L37 PolarHBondContact O-N 3.1Å; R35-A38 PolarHBondContact O-N 3.12Å; R35-L39 PolarHBondContact O-N 3.17Å; R35-V70 WeakPolarHBondContact CB-O 3.49Å; R35-V70 WeakPolarHBondContact CG-O 3.16Å; R35-V70 PolarHBondContact N-O 3.37Å; R35-T71 HydrophobicContact CG-CG2 4.07Å; R35-T207 PolarHBondContact NE-OG1 3.34Å; R35-T207 VanDerWaalsContact NE-OG1 3.1Å; R35-T207 PolarHBondContact NH2-OG1 3.29Å
36	P	92	Very high	84.4	Confident	21 Å²	21	44 Å²	44	14%	0.136	23%	0.23	C	C	.	.	H	α-helix	trans	-64.2	-33.2	-177.1	-18.5	33.3	0	0	0	112.2	L39 L40 T207 Y208 E212	P36-L39 PolarHBondContact O-N 3.26Å; P36-L40 WeakPolarHBondContact O-CB 3.43Å; P36-L40 WeakPolarHBondContact O-CD1 3.37Å; P36-L40 PolarHBondContact O-N 3.19Å; P36-T207 WeakPolarHBondContact CD-O 3.47Å; P36-Y208 HydrophobicContact CB-CD1 4.36Å; P36-Y208 HydrophobicContact CB-CE1 4.1Å; P36-Y208 HydrophobicContact CG-CD1 3.33Å; P36-Y208 HydrophobicContact CG-CE1 3.43Å; P36-Y208 VanDerWaalsContact CG-CE1 3.43Å; P36-Y208 HydrophobicContact CG-CG 4.19Å; P36-E212 WeakPolarHBondContact CD-OE1 3.34Å
37	L	91.8	Very high	86.7	Confident	84 Å²	84	45.3 Å²	45.3	44%	0.44	23%	0.226	S	C	.	.	H	α-helix	trans	-62.2	-51.2	177.5	-178.5	64.2	0	0	0	111.6	R35 L39 L40 K41	R35-L37 VanDerWaalsContact C-N 3.27Å; R35-L37 PolarHBondContact O-N 3.1Å; L37-L39 VanDerWaalsContact C-N 3.33Å; L37-L39 PolarHBondContact O-N 3.17Å; L37-L40 PolarHBondContact O-N 2.77Å; L37-K41 WeakPolarHBondContact O-CG 3.44Å; L37-K41 PolarHBondContact O-N 3.47Å
38	A	93.9	Very high	89	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-57.6	-48.3	175.2	0	0	0	0	0	111	R35 L40 K41 I42 V70 A73	R35-A38 PolarHBondContact O-N 3.12Å; A38-L40 PolarHBondContact O-N 2.64Å; A38-K41 PolarHBondContact O-N 2.61Å; A38-I42 WeakPolarHBondContact O-CB 3.41Å; A38-I42 WeakPolarHBondContact O-CD1 3.35Å; A38-I42 WeakPolarHBondContact O-CG1 3.32Å; A38-I42 PolarHBondContact O-N 3.32Å; A38-V70 HydrophobicContact CB-CG1 3.78Å; A38-A73 HydrophobicContact CB-CB 4.39Å
39	L	92.6	Very high	90.6	Very high	32 Å²	32	47.3 Å²	47.3	17%	0.168	24%	0.237	C	C	.	.	H	α-helix	trans	-54.4	-49.3	178.3	177	61.3	0	0	0	112.1	M34 R35 P36 L37 L43 I156 Y206	M34-L39 HydrophobicContact CG-CB 4.28Å; M34-L39 HydrophobicContact SD-CB 4.4Å; M34-L39 HydrophobicContact SD-CD1 4.27Å; R35-L39 PolarHBondContact O-N 3.17Å; P36-L39 PolarHBondContact O-N 3.26Å; L37-L39 VanDerWaalsContact C-N 3.33Å; L37-L39 PolarHBondContact O-N 3.17Å; L39-L43 HydrophobicContact CD1-CD1 3.82Å; L39-L43 HydrophobicContact CD1-CG 4.22Å; L39-L43 HydrophobicContact CG-CD1 4.06Å; L39-L43 WeakPolarHBondContact O-CB 3.49Å; L39-L43 WeakPolarHBondContact O-CG 3.2Å; L39-L43 PolarHBondContact O-N 3.31Å; L39-I156 HydrophobicContact CD1-CD1 3.19Å; L39-I156 HydrophobicContact CD1-CG1 4.35Å; L39-Y206 HydrophobicContact CD1-CE1 4.1Å; L39-Y206 HydrophobicContact CD2-CD1 3.93Å; L39-Y206 HydrophobicContact CD2-CE1 3.81Å
40	L	91.8	Very high	91.5	Very high	116 Å²	116	45.6 Å²	45.6	61%	0.607	23%	0.227	S	C	*	.	H	α-helix	trans	-63.3	-46	179.5	-102.3	129.3	0	0	0	112.2	P36 L37 A38 I42 L43 Q44	P36-L40 WeakPolarHBondContact O-CB 3.43Å; P36-L40 WeakPolarHBondContact O-CD1 3.37Å; P36-L40 PolarHBondContact O-N 3.19Å; L37-L40 PolarHBondContact O-N 2.77Å; A38-L40 PolarHBondContact O-N 2.64Å; L40-I42 PolarHBondContact O-N 3.02Å; L40-L43 PolarHBondContact O-N 2.85Å; L40-Q44 VanDerWaalsContact O-CB 3.25Å; L40-Q44 WeakPolarHBondContact O-CB 3.42Å; L40-Q44 PolarHBondContact O-N 2.56Å
41	K	94.3	Very high	91.9	Very high	58 Å²	58	51.4 Å²	51.4	25%	0.252	27%	0.265	S	S	.	.	H	α-helix	trans	-62	-44.2	179.6	-75.1	-171.6	-174.9	173.3	0	111.9	L37 A38 H45 D72 A73 Y105	L37-K41 WeakPolarHBondContact O-CG 3.44Å; L37-K41 PolarHBondContact O-N 3.47Å; A38-K41 PolarHBondContact O-N 2.61Å; K41-H45 VanDerWaalsContact O-CB 3.23Å; K41-H45 WeakPolarHBondContact O-CB 3.19Å; K41-H45 PolarHBondContact O-N 3.48Å; K41-D72 WeakPolarHBondContact CD-OD1 3.31Å; K41-D72 WeakPolarHBondContact CE-OD1 3.27Å; K41-D72 IonicContact NZ-OD1 3.48Å; K41-D72 PolarHBondContact NZ-OD1 2.82Å; K41-D72 IonicContact NZ-OD2 3.46Å; K41-D72 PolarHBondContact NZ-OD2 2.76Å; K41-A73 HydrophobicContact CB-CB 4.35Å; K41-A73 VanDerWaalsContact CD-O 3.31Å; K41-A73 WeakPolarHBondContact CD-O 3.46Å; K41-Y105 PolarHBondContact NZ-OH 2.88Å
42	I	94.5	Very high	91.8	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-62.7	-49.7	178.8	-66.4	162.7	0	0	0	110.5	M34 A38 L40 Q44 H45 A46 L58 A73 Y113 V146	M34-I42 HydrophobicContact CE-CD1 4.22Å; A38-I42 WeakPolarHBondContact O-CB 3.41Å; A38-I42 WeakPolarHBondContact O-CD1 3.35Å; A38-I42 WeakPolarHBondContact O-CG1 3.32Å; A38-I42 PolarHBondContact O-N 3.32Å; L40-I42 PolarHBondContact O-N 3.02Å; I42-Q44 PolarHBondContact O-N 2.8Å; I42-H45 PolarHBondContact O-N 2.82Å; I42-A46 WeakPolarHBondContact O-CB 3.47Å; I42-A46 PolarHBondContact O-N 3.47Å; I42-L58 HydrophobicContact CD1-CD2 3.68Å; I42-L58 HydrophobicContact CG1-CD2 4.48Å; I42-A73 HydrophobicContact CD1-CB 3.92Å; I42-A73 HydrophobicContact CG1-CB 3.49Å; I42-A73 VanDerWaalsContact CG1-CB 3.49Å; I42-Y113 HydrophobicContact CB-CD2 4.37Å; I42-Y113 HydrophobicContact CB-CE2 4.24Å; I42-Y113 HydrophobicContact CD1-CD1 4.39Å; I42-Y113 HydrophobicContact CD1-CG 4.43Å; I42-Y113 HydrophobicContact CG1-CD1 3.98Å; I42-Y113 HydrophobicContact CG1-CD2 4.14Å; I42-Y113 HydrophobicContact CG1-CE1 3.92Å; I42-Y113 HydrophobicContact CG1-CE2 4.1Å; I42-Y113 HydrophobicContact CG1-CG 4.07Å; I42-Y113 HydrophobicContact CG2-CD2 3.59Å; I42-Y113 HydrophobicContact CG2-CE2 3.78Å; I42-Y113 HydrophobicContact CG2-CG 4.15Å; I42-V146 HydrophobicContact CG2-CB 4.07Å; I42-V146 HydrophobicContact CG2-CG1 4.19Å; I42-V146 HydrophobicContact CG2-CG2 3.31Å
43	L	92.4	Very high	91.6	Very high	45 Å²	45	57.1 Å²	57.1	24%	0.236	30%	0.295	C	S	.	.	H	α-helix	trans	-63.8	-41.8	-179.7	-73.6	173.1	0	0	0	112.1	L39 L40 K47 V146 I156	L39-L43 HydrophobicContact CD1-CD1 3.82Å; L39-L43 HydrophobicContact CD1-CG 4.22Å; L39-L43 HydrophobicContact CG-CD1 4.06Å; L39-L43 WeakPolarHBondContact O-CB 3.49Å; L39-L43 WeakPolarHBondContact O-CG 3.2Å; L39-L43 PolarHBondContact O-N 3.31Å; L40-L43 PolarHBondContact O-N 2.85Å; L43-K47 VanDerWaalsContact O-CB 3.32Å; L43-K47 WeakPolarHBondContact O-CB 3.38Å; L43-K47 PolarHBondContact O-N 2.83Å; L43-V146 HydrophobicContact CD2-CG1 3.8Å; L43-I156 HydrophobicContact CD2-CD1 4.16Å; L43-I156 HydrophobicContact CD2-CG1 4.36Å; L43-I156 HydrophobicContact CG-CD1 4.23Å
44	Q	92.5	Very high	91.4	Very high	111 Å²	111	56.4 Å²	56.4	52%	0.519	29%	0.292	S	S	.	.	H	α-helix	trans	-62.3	-48.6	176.2	-179.4	175.1	-5.6	0	0	110.7	L40 I42 A46 K47 E48	L40-Q44 VanDerWaalsContact O-CB 3.25Å; L40-Q44 WeakPolarHBondContact O-CB 3.42Å; L40-Q44 PolarHBondContact O-N 2.56Å; I42-Q44 PolarHBondContact O-N 2.8Å; Q44-A46 PolarHBondContact O-N 3.11Å; Q44-K47 PolarHBondContact O-N 3.01Å; Q44-E48 HydrophobicContact CG-CG 4.41Å; Q44-E48 VanDerWaalsContact CG-OE1 3.26Å; Q44-E48 WeakPolarHBondContact CG-OE1 3.34Å; Q44-E48 PolarHBondContact NE2-OE1 2.91Å; Q44-E48 WeakPolarHBondContact O-CB 3.34Å; Q44-E48 WeakPolarHBondContact O-CG 3.28Å; Q44-E48 PolarHBondContact O-N 2.94Å
45	H	92.8	Very high	91.2	Very high	24 Å²	24	56.8 Å²	56.8	11%	0.111	29%	0.294	C	S	.	.	H	α-helix	trans	-61.5	-45.7	179.5	-176.1	-151.5	0	0	0	112.1	K41 I42 K47 E48 G49 M55 N75 Y113	K41-H45 VanDerWaalsContact O-CB 3.23Å; K41-H45 WeakPolarHBondContact O-CB 3.19Å; K41-H45 PolarHBondContact O-N 3.48Å; I42-H45 PolarHBondContact O-N 2.82Å; H45-K47 VanDerWaalsContact C-N 3.28Å; H45-K47 PolarHBondContact O-N 2.93Å; H45-E48 PolarHBondContact O-N 3.2Å; H45-G49 PolarHBondContact O-N 3.05Å; H45-M55 PolarHBondContact CE1-O 3.34Å; H45-N75 PolarHBondContact CD2-ND2 2.97Å; H45-N75 VanDerWaalsContact CE1-CB 3.49Å; H45-N75 WeakPolarHBondContact CE1-CB 3.38Å; H45-N75 VanDerWaalsContact CG-CG 3.46Å; H45-N75 VanDerWaalsContact CG-ND2 3.27Å; H45-N75 VanDerWaalsContact ND1-CG 3.32Å; H45-Y113 AromaticContact ND1-CE2 3.86Å; H45-Y113 AromaticContact ND1-CZ 3.7Å; H45-Y113 PolarHBondContact ND1-OH 3.45Å
46	A	91.6	Very high	91.1	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-60.4	-38.7	177.1	0	0	0	0	0	112.1	I42 Q44 A50 V54 V146 P148	I42-A46 WeakPolarHBondContact O-CB 3.47Å; I42-A46 PolarHBondContact O-N 3.47Å; Q44-A46 PolarHBondContact O-N 3.11Å; A46-A50 PolarHBondContact O-N 2.88Å; A46-V54 HydrophobicContact CB-CG2 4.48Å; A46-V146 HydrophobicContact CB-CG1 4.08Å; A46-P148 HydrophobicContact CB-CB 4.12Å; A46-P148 HydrophobicContact CB-CG 3.94Å
47	K	91.1	Very high	91	Very high	146 Å²	146	54 Å²	54	64%	0.635	28%	0.282	S	S	*	.	H	α-helix	trans	-72.2	-38.7	178.7	-170.8	172.9	-177.8	174.8	0	112.8	L43 Q44 H45 P148	L43-K47 VanDerWaalsContact O-CB 3.32Å; L43-K47 WeakPolarHBondContact O-CB 3.38Å; L43-K47 PolarHBondContact O-N 2.83Å; Q44-K47 PolarHBondContact O-N 3.01Å; H45-K47 VanDerWaalsContact C-N 3.28Å; H45-K47 PolarHBondContact O-N 2.93Å; K47-P148 HydrophobicContact CB-CB 4.32Å
48	E	91.2	Very high	91.1	Very high	134 Å²	134	50 Å²	50	63%	0.626	26%	0.261	S	S	*	.	H	α-helix	trans	-72.7	-31.1	177.8	-72.7	174.1	-175.7	0	0	112.5	Q44 H45	Q44-E48 HydrophobicContact CG-CG 4.41Å; Q44-E48 VanDerWaalsContact CG-OE1 3.26Å; Q44-E48 WeakPolarHBondContact CG-OE1 3.34Å; Q44-E48 PolarHBondContact NE2-OE1 2.91Å; Q44-E48 WeakPolarHBondContact O-CB 3.34Å; Q44-E48 WeakPolarHBondContact O-CG 3.28Å; Q44-E48 PolarHBondContact O-N 2.94Å; H45-E48 PolarHBondContact O-N 3.2Å
49	G	87.8	Confident	91	Very high	20 Å²	20	50.2 Å²	50.2	21%	0.206	26%	0.262	C	S	.	.	H	α-helix	trans	-77.1	-20.4	177.6	0	0	0	0	0	115	H45 L52	H45-G49 PolarHBondContact O-N 3.05Å; G49-L52 CarbonylContact C-O 3.58Å; G49-L52 WeakPolarHBondContact O-CB 3.47Å; G49-L52 PolarHBondContact O-N 3.03Å
50	A	87.2	Confident	91.1	Very high	29 Å²	29	48.7 Å²	48.7	24%	0.24	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	139.3	-178.2	0	0	0	0	0	112.2	A46 F149	A46-A50 PolarHBondContact O-N 2.88Å; A50-F149 HydrophobicContact CB-CE2 3.5Å; A50-F149 VanDerWaalsContact CB-CE2 3.5Å; A50-F149 HydrophobicContact CB-CZ 3.47Å; A50-F149 VanDerWaalsContact CB-CZ 3.47Å
51	P	88.4	Confident	91.1	Very high	123 Å²	123	45.2 Å²	45.2	80%	0.799	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	cis	-88.8	6.3	12.7	36.5	-37.5	0	0	0	115.1
52	L	87.8	Confident	91	Very high	106 Å²	106	44.3 Å²	44.3	56%	0.555	24%	0.235	S	C	*	.	S	Bend	trans	-83.8	147.9	178.9	-60.3	174.7	0	0	0	110.5	G49 V54	G49-L52 CarbonylContact C-O 3.58Å; G49-L52 WeakPolarHBondContact O-CB 3.47Å; G49-L52 PolarHBondContact O-N 3.03Å; L52-V54 PolarHBondContact O-N 2.91Å
53	E	87.7	Confident	90.7	Very high	78 Å²	78	48.9 Å²	48.9	36%	0.364	26%	0.26	S	S	.	.			trans	-68.5	129.3	170.3	-59.8	-179.9	171.5	0	0	108.3	Q78 S115 H116	E53-Q78 PolarHBondContact O-NE2 3.38Å; E53-S115 WeakPolarHBondContact CA-OG 3.46Å; E53-S115 WeakPolarHBondContact CB-O 3.31Å; E53-S115 VanDerWaalsContact CG-O 3.3Å; E53-S115 WeakPolarHBondContact CG-O 3.45Å; E53-H116 IonicContact OE1-CD2 3.97Å; E53-H116 PolarHBondContact OE1-CD2 2.75Å; E53-H116 IonicContact OE1-NE2 3.54Å
54	V	90.1	Very high	90.5	Very high	6 Å²	6	49.9 Å²	49.9	4%	0.036	27%	0.265	C	S	.	.			trans	-110.9	159.4	172	-67.2	0	0	0	0	110.5	A46 L52 H114 S115	A46-V54 HydrophobicContact CB-CG2 4.48Å; L52-V54 PolarHBondContact O-N 2.91Å; V54-H114 CarbonylContact O-C 3.51Å; V54-H114 WeakPolarHBondContact O-CA 3.35Å; V54-H114 WeakPolarHBondContact O-CB 3.44Å; V54-S115 PolarHBondContact N-OG 2.8Å; V54-S115 PolarHBondContact O-N 2.68Å
55	M	90.7	Very high	90	Very high	9 Å²	9	47.1 Å²	47.1	4%	0.044	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	163.2	175.8	72.4	170.2	43.1	0	0	112.8	H45 I76 V83 V85 W112 Y113 H114	H45-M55 PolarHBondContact CE1-O 3.34Å; M55-I76 HydrophobicContact CG-CB 4.37Å; M55-I76 PolarHBondContact O-N 3.13Å; M55-I76 VanDerWaalsContact O-N 3.14Å; M55-I76 HydrophobicContact SD-CD1 4.48Å; M55-V83 HydrophobicContact CB-CG1 4.27Å; M55-V83 HydrophobicContact CE-CB 3.71Å; M55-V83 HydrophobicContact CE-CG1 3.41Å; M55-V83 VanDerWaalsContact CE-CG1 3.41Å; M55-V83 WeakPolarHBondContact CE-O 3.16Å; M55-V83 HydrophobicContact CG-CG1 3.51Å; M55-V83 HydrophobicContact SD-CG1 3.61Å; M55-V85 HydrophobicContact CE-CG2 3.77Å; M55-V85 HydrophobicContact SD-CG2 3.51Å; M55-V85 VanDerWaalsContact SD-CG2 3.51Å; M55-W112 HydrophobicContact CE-CZ3 4.33Å; M55-Y113 CarbonylContact C-O 3.54Å; M55-Y113 WeakPolarHBondContact CA-O 3.32Å; M55-Y113 WeakPolarHBondContact CB-O 3.33Å; M55-H114 HydrophobicContact CB-CB 4.06Å
56	G	90.8	Very high	89.7	Confident	1 Å²	1	49.1 Å²	49.1	1%	0.01	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.7	179.1	172.6	0	0	0	0	0	112.8	V74 W112 Y113	G56-V74 CarbonylContact C-O 3.56Å; G56-V74 WeakPolarHBondContact CA-O 3.26Å; G56-W112 CarbonylContact O-C 3.58Å; G56-W112 VanDerWaalsContact O-CA 3.3Å; G56-W112 WeakPolarHBondContact O-CA 3.23Å; G56-W112 WeakPolarHBondContact O-CB 3.27Å; G56-Y113 PolarHBondContact N-O 3.11Å; G56-Y113 WeakPolarHBondContact O-CD1 3.34Å; G56-Y113 PolarHBondContact O-N 2.72Å
57	L	91	Very high	89.6	Confident	13 Å²	13	49.8 Å²	49.8	7%	0.068	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	148.3	177.4	-59.9	-179.3	0	0	0	111	A73 V74 I76 L96 I109 W112	L57-A73 WeakPolarHBondContact O-CA 3.39Å; L57-V74 PolarHBondContact N-O 3.43Å; L57-V74 PolarHBondContact O-N 3.06Å; L57-I76 HydrophobicContact CD1-CD1 4.44Å; L57-I76 HydrophobicContact CD2-CD1 3.87Å; L57-I76 HydrophobicContact CG-CD1 3.72Å; L57-I76 HydrophobicContact CG-CG1 4.23Å; L57-L96 HydrophobicContact CD1-CD2 3.44Å; L57-L96 VanDerWaalsContact CD1-CD2 3.44Å; L57-L96 HydrophobicContact CD1-CG 4.4Å; L57-L96 HydrophobicContact CG-CD2 4.48Å; L57-I109 HydrophobicContact CB-CG2 4.48Å; L57-I109 HydrophobicContact CD1-CD1 3.87Å; L57-I109 HydrophobicContact CD1-CG1 4.3Å; L57-I109 HydrophobicContact CD2-CG2 4.35Å; L57-W112 HydrophobicContact CD2-CB 4.38Å
58	L	93.4	Very high	89.7	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	123.1	174.3	-61.3	174.4	0	0	0	108.7	I42 V70 A73 I109 V110 G111 W112 Y113 I142 V144	I42-L58 HydrophobicContact CD1-CD2 3.68Å; I42-L58 HydrophobicContact CG1-CD2 4.48Å; L58-V70 HydrophobicContact CB-CG1 4.23Å; L58-V70 HydrophobicContact CD2-CG1 3.97Å; L58-A73 HydrophobicContact CD2-CB 4.25Å; L58-I109 CarbonylContact O-C 3.51Å; L58-I109 WeakPolarHBondContact O-CA 3.49Å; L58-V110 HydrophobicContact CB-CG2 3.9Å; L58-V110 PolarHBondContact O-N 3.12Å; L58-G111 PolarHBondContact N-O 2.82Å; L58-W112 WeakPolarHBondContact CD1-O 3.35Å; L58-Y113 HydrophobicContact CD2-CD1 3.69Å; L58-Y113 HydrophobicContact CD2-CG 4.32Å; L58-Y113 HydrophobicContact CG-CD1 4.23Å; L58-I142 HydrophobicContact CD1-CD1 3.92Å; L58-I142 HydrophobicContact CD1-CG1 3.92Å; L58-V144 HydrophobicContact CD1-CB 4.03Å; L58-V144 HydrophobicContact CD1-CG2 3.5Å
59	M	92.5	Very high	89.9	Confident	4 Å²	4	36.9 Å²	36.9	2%	0.02	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	138.7	177.3	-57.1	-55.2	-60.2	0	0	109.5	T71 D72 V74 L100 Y105 E107 E108 I109	M59-T71 PolarHBondContact O-N 3.27Å; M59-D72 HydrophobicContact CB-CB 4.36Å; M59-D72 PolarHBondContact N-O 3.48Å; M59-D72 PolarHBondContact O-N 3.47Å; M59-V74 HydrophobicContact CG-CG2 3.95Å; M59-L100 HydrophobicContact CE-CD1 4.3Å; M59-L100 HydrophobicContact SD-CD1 4.02Å; M59-Y105 HydrophobicContact CG-CD1 4.2Å; M59-E107 HydrophobicContact CB-CB 4.46Å; M59-E107 HydrophobicContact CE-CB 4.48Å; M59-E107 WeakPolarHBondContact CE-O 3.36Å; M59-E108 WeakPolarHBondContact CA-O 3.41Å; M59-I109 HydrophobicContact CE-CG1 4.17Å; M59-I109 HydrophobicContact SD-CG1 3.74Å
60	G	93.3	Very high	90.3	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170	-146.2	176.2	0	0	0	0	0	113.4	T69 T71 E108 V110	G60-T69 VanDerWaalsContact CA-O 3.28Å; G60-T69 WeakPolarHBondContact CA-O 3.44Å; G60-T71 WeakPolarHBondContact CA-OG1 3.23Å; G60-E108 PolarHBondContact N-O 2.96Å; G60-E108 PolarHBondContact O-N 3.27Å; G60-V110 VanDerWaalsContact C-CG1 3.42Å
61	S	92.5	Very high	90.6	Very high	42 Å²	42	36.5 Å²	36.5	29%	0.294	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	157	-176.5	54.2	0	0	0	0	112.7	T69	S61-T69 PolarHBondContact N-O 3.39Å; S61-T69 PolarHBondContact O-N 2.81Å
62	F	91.7	Very high	90.8	Very high	40 Å²	40	31.5 Å²	31.5	18%	0.175	16%	0.162	C	C	.	.			trans	-98.4	91.2	172.8	-64.8	-73.8	0	0	0	108.8	D64 V68 V110 C138 R140	F62-D64 PolarHBondContact O-N 2.86Å; F62-V68 HydrophobicContact CD1-CG1 4.23Å; F62-V68 HydrophobicContact CD1-CG2 3.94Å; F62-V68 HydrophobicContact CE1-CG1 3.98Å; F62-V68 HydrophobicContact CE1-CG2 3.92Å; F62-V110 HydrophobicContact CD2-CG1 4.23Å; F62-V110 HydrophobicContact CE1-CB 4.31Å; F62-V110 HydrophobicContact CE1-CG1 4.36Å; F62-V110 HydrophobicContact CE2-CB 4.29Å; F62-V110 HydrophobicContact CE2-CG1 3.85Å; F62-V110 HydrophobicContact CZ-CB 3.89Å; F62-V110 HydrophobicContact CZ-CG1 3.92Å; F62-C138 WeakPolarHBondContact CZ-SG 3.05Å; F62-R140 HydrophobicContact CD1-CB 4.11Å; F62-R140 HydrophobicContact CE1-CB 3.55Å; F62-R140 HydrophobicContact CZ-CB 4.09Å
63	D	89.2	Confident	91	Very high	96 Å²	96	26.5 Å²	26.5	51%	0.513	14%	0.136	S	C	.	.			trans	-63.7	-41	-174.7	-66.1	-40.6	0	0	0	112.6	T67 T69	D63-T67 HydrophobicContact CB-CG2 4.45Å; D63-T67 PolarHBondContact N-O 3.35Å; D63-T69 WeakPolarHBondContact OD2-CB 3.34Å; D63-T69 PolarHBondContact OD2-OG1 2.71Å
64	D	87.4	Confident	91.1	Very high	66 Å²	66	23.9 Å²	23.9	35%	0.353	13%	0.126	S	C	.	.	S	Bend	trans	-151	-170	176.6	65.9	27.6	0	0	0	110.2	F62 Y66 T67 R140	F62-D64 PolarHBondContact O-N 2.86Å; D64-Y66 PolarHBondContact O-N 3.31Å; D64-Y66 WeakPolarHBondContact OD1-CA 3.45Å; D64-Y66 PolarHBondContact OD1-N 2.95Å; D64-T67 WeakPolarHBondContact OD1-CA 3.38Å; D64-T67 WeakPolarHBondContact OD1-CB 3.19Å; D64-T67 PolarHBondContact OD1-N 3.02Å; D64-T67 PolarHBondContact OD1-OG1 3.49Å; D64-T67 PolarHBondContact OD2-OG1 2.89Å; D64-R140 PolarHBondContact O-NH1 3.36Å; D64-R140 PolarHBondContact O-NH2 3.31Å
65	K	83.1	Confident	91	Very high	52 Å²	52	26.8 Å²	26.8	23%	0.226	14%	0.141	C	C	.	.	S	Bend	trans	-64.3	-18.4	179.5	-73.9	-179.2	-179.8	176.8	0	115.2	L19 D20 R140 R174	L19-K65 HydrophobicContact CB-CD 4.38Å; L19-K65 HydrophobicContact CB-CG 3.92Å; L19-K65 HydrophobicContact CD1-CG 3.68Å; L19-K65 HydrophobicContact CD2-CG 4.04Å; L19-K65 HydrophobicContact CG-CG 4.08Å; D20-K65 WeakPolarHBondContact O-CE 3.47Å; D20-K65 PolarHBondContact O-NZ 3.49Å; K65-R140 VanDerWaalsContact C-NH2 3.33Å; K65-R140 PolarHBondContact O-NH2 3.44Å; K65-R174 PolarHBondContact O-NH1 2.72Å
66	Y	85.3	Confident	90.5	Very high	66 Å²	66	26.9 Å²	26.9	26%	0.259	14%	0.141	S	C	.	.	S	Bend	trans	-125.9	-9.8	-166.5	-50.4	-47.7	0	0	0	113	T28 E30 K31 D64	T28-Y66 HydrophobicContact CG2-CD1 3.83Å; T28-Y66 HydrophobicContact CG2-CE1 3.05Å; T28-Y66 HydrophobicContact CG2-CE2 4.44Å; T28-Y66 WeakPolarHBondContact CG2-OH 3.21Å; E30-Y66 CarbonylContact C-O 3.47Å; E30-Y66 WeakPolarHBondContact CA-O 3.42Å; E30-Y66 WeakPolarHBondContact CG-O 3.47Å; K31-Y66 PolarHBondContact N-O 3.19Å; D64-Y66 PolarHBondContact O-N 3.31Å; D64-Y66 WeakPolarHBondContact OD1-CA 3.45Å; D64-Y66 PolarHBondContact OD1-N 2.95Å
67	T	90.5	Very high	89.5	Confident	14 Å²	14	30.7 Å²	30.7	9%	0.086	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	125.3	-174.7	-51.5	0	0	0	0	108	K31 L33 D63 D64 R140	K31-T67 HydrophobicContact CG-CG2 4.38Å; K31-T67 WeakPolarHBondContact O-CA 3.19Å; L33-T67 HydrophobicContact CD1-CG2 3.55Å; L33-T67 HydrophobicContact CG-CG2 3.72Å; D63-T67 HydrophobicContact CB-CG2 4.45Å; D63-T67 PolarHBondContact N-O 3.35Å; D64-T67 WeakPolarHBondContact OD1-CA 3.38Å; D64-T67 WeakPolarHBondContact OD1-CB 3.19Å; D64-T67 PolarHBondContact OD1-N 3.02Å; D64-T67 PolarHBondContact OD1-OG1 3.49Å; D64-T67 PolarHBondContact OD2-OG1 2.89Å; T67-R140 PolarHBondContact O-NH2 2.75Å
68	V	93.2	Very high	88.3	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	117	171.1	-175.1	0	0	0	0	106.8	K31 V32 L33 F62 V110 I142	K31-V68 PolarHBondContact O-N 3.24Å; V32-V68 CarbonylContact C-O 3.51Å; V32-V68 WeakPolarHBondContact CA-O 3.35Å; L33-V68 PolarHBondContact N-O 3.13Å; F62-V68 HydrophobicContact CD1-CG1 4.23Å; F62-V68 HydrophobicContact CD1-CG2 3.94Å; F62-V68 HydrophobicContact CE1-CG1 3.98Å; F62-V68 HydrophobicContact CE1-CG2 3.92Å; V68-V110 HydrophobicContact CG1-CB 3.82Å; V68-V110 HydrophobicContact CG1-CG1 4.27Å; V68-V110 HydrophobicContact CG1-CG2 4.13Å; V68-I142 HydrophobicContact CG1-CD1 4.16Å; V68-I142 HydrophobicContact CG2-CG2 4.32Å
69	T	94.8	Very high	86.3	Confident	9 Å²	9	39.4 Å²	39.4	6%	0.055	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	121.5	176.1	-72.3	0	0	0	0	109.2	G60 S61 D63	G60-T69 VanDerWaalsContact CA-O 3.28Å; G60-T69 WeakPolarHBondContact CA-O 3.44Å; S61-T69 PolarHBondContact N-O 3.39Å; S61-T69 PolarHBondContact O-N 2.81Å; D63-T69 WeakPolarHBondContact OD2-CB 3.34Å; D63-T69 PolarHBondContact OD2-OG1 2.71Å
70	V	95.6	Very high	84.6	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	108.9	174	-179.8	0	0	0	0	108	V32 L33 M34 R35 A38 L58 V110 I142	V32-V70 HydrophobicContact CG1-CG2 3.84Å; L33-V70 PolarHBondContact O-N 3.04Å; M34-V70 HydrophobicContact CE-CB 4.41Å; M34-V70 HydrophobicContact CE-CG1 4.27Å; M34-V70 HydrophobicContact CE-CG2 4.44Å; R35-V70 WeakPolarHBondContact CB-O 3.49Å; R35-V70 WeakPolarHBondContact CG-O 3.16Å; R35-V70 PolarHBondContact N-O 3.37Å; A38-V70 HydrophobicContact CB-CG1 3.78Å; L58-V70 HydrophobicContact CB-CG1 4.23Å; L58-V70 HydrophobicContact CD2-CG1 3.97Å; V70-V110 HydrophobicContact CG2-CG2 4.02Å; V70-I142 HydrophobicContact CG2-CD1 3.74Å
71	T	93.3	Very high	82.6	Confident	41 Å²	41	48.8 Å²	48.8	25%	0.252	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	-40.5	-174.9	-23.4	0	0	0	0	111.4	R35 M59 G60 E107	R35-T71 HydrophobicContact CG-CG2 4.07Å; M59-T71 PolarHBondContact O-N 3.27Å; G60-T71 WeakPolarHBondContact CA-OG1 3.23Å; T71-E107 WeakPolarHBondContact CB-OE1 3.29Å; T71-E107 WeakPolarHBondContact CB-OE2 3.5Å; T71-E107 WeakPolarHBondContact CG2-OE1 3.25Å; T71-E107 PolarHBondContact OG1-OE1 3.02Å; T71-E107 PolarHBondContact OG1-OE2 2.93Å; T71-E107 VanDerWaalsContact OG1-OE2 3.11Å
72	D	93.2	Very high	80.5	Confident	18 Å²	18	54.8 Å²	54.8	10%	0.096	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	165.4	-179.9	-149.7	-10.5	0	0	0	112.4	K41 M59 Y105	K41-D72 WeakPolarHBondContact CD-OD1 3.31Å; K41-D72 WeakPolarHBondContact CE-OD1 3.27Å; K41-D72 IonicContact NZ-OD1 3.48Å; K41-D72 PolarHBondContact NZ-OD1 2.82Å; K41-D72 IonicContact NZ-OD2 3.46Å; K41-D72 PolarHBondContact NZ-OD2 2.76Å; M59-D72 HydrophobicContact CB-CB 4.36Å; M59-D72 PolarHBondContact N-O 3.48Å; M59-D72 PolarHBondContact O-N 3.47Å; D72-Y105 HydrophobicContact CB-CE1 4.01Å; D72-Y105 VanDerWaalsContact OD2-CE1 3.23Å; D72-Y105 WeakPolarHBondContact OD2-CE1 3.25Å; D72-Y105 PolarHBondContact OD2-OH 2.68Å
73	A	92.7	Very high	78.6	Confident	1 Å²	1	55.1 Å²	55.1	1%	0.008	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	139.5	176.8	0	0	0	0	0	110.5	A38 K41 I42 L57 L58 Y113	A38-A73 HydrophobicContact CB-CB 4.39Å; K41-A73 HydrophobicContact CB-CB 4.35Å; K41-A73 VanDerWaalsContact CD-O 3.31Å; K41-A73 WeakPolarHBondContact CD-O 3.46Å; I42-A73 HydrophobicContact CD1-CB 3.92Å; I42-A73 HydrophobicContact CG1-CB 3.49Å; I42-A73 VanDerWaalsContact CG1-CB 3.49Å; L57-A73 WeakPolarHBondContact O-CA 3.39Å; L58-A73 HydrophobicContact CD2-CB 4.25Å; A73-Y113 HydrophobicContact CB-CE1 4Å
74	V	90.1	Very high	76.8	Confident	24 Å²	24	52 Å²	52	15%	0.145	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	126.5	-179.5	-178.1	0	0	0	0	109.9	G56 L57 M59 L100 Y105	G56-V74 CarbonylContact C-O 3.56Å; G56-V74 WeakPolarHBondContact CA-O 3.26Å; L57-V74 PolarHBondContact N-O 3.43Å; L57-V74 PolarHBondContact O-N 3.06Å; M59-V74 HydrophobicContact CG-CG2 3.95Å; V74-L100 HydrophobicContact CB-CD2 4.13Å; V74-L100 HydrophobicContact CG1-CD2 3.91Å; V74-L100 HydrophobicContact CG2-CD2 3.66Å; V74-Y105 HydrophobicContact CG2-CD1 4.46Å; V74-Y105 HydrophobicContact CG2-CE1 3.88Å; V74-Y105 HydrophobicContact CG2-CE2 4.13Å
75	N	87.3	Confident	75	Confident	66 Å²	66	49.6 Å²	49.6	35%	0.353	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	133.8	-176.9	-54.5	1.8	0	0	0	109	H45 Y113	H45-N75 PolarHBondContact CD2-ND2 2.97Å; H45-N75 VanDerWaalsContact CE1-CB 3.49Å; H45-N75 WeakPolarHBondContact CE1-CB 3.38Å; H45-N75 VanDerWaalsContact CG-CG 3.46Å; H45-N75 VanDerWaalsContact CG-ND2 3.27Å; H45-N75 VanDerWaalsContact ND1-CG 3.32Å; N75-Y113 PolarHBondContact OD1-OH 3.39Å
76	I	80.2	Confident	73.5	Confident	11 Å²	11	51.5 Å²	51.5	6%	0.056	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-93.6	123.5	169.7	-66	163.8	0	0	0	107.3	M55 L57 Q78 M88	M55-I76 HydrophobicContact CG-CB 4.37Å; M55-I76 PolarHBondContact O-N 3.13Å; M55-I76 VanDerWaalsContact O-N 3.14Å; M55-I76 HydrophobicContact SD-CD1 4.48Å; L57-I76 HydrophobicContact CD1-CD1 4.44Å; L57-I76 HydrophobicContact CD2-CD1 3.87Å; L57-I76 HydrophobicContact CG-CD1 3.72Å; L57-I76 HydrophobicContact CG-CG1 4.23Å; I76-Q78 PolarHBondContact O-N 2.67Å; I76-M88 HydrophobicContact CD1-CE 3.99Å; I76-M88 HydrophobicContact CD1-SD 3.87Å; I76-M88 HydrophobicContact CG1-CE 4.25Å; I76-M88 HydrophobicContact CG2-CE 3.86Å; I76-M88 HydrophobicContact CG2-SD 4.2Å
77	P	70.3	Confident	71.8	Confident	82 Å²	82	55.1 Å²	55.1	53%	0.532	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-64.1	131.1	175.7	25.2	-31.9	0	0	0	110.1	V79 Y92	P77-V79 PolarHBondContact O-N 3.32Å; P77-Y92 WeakPolarHBondContact CD-OH 3.06Å; P77-Y92 WeakPolarHBondContact CG-OH 3.48Å
78	Q	64.8	Low	70	Confident	65 Å²	65	55.7 Å²	55.7	30%	0.304	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-70.1	125.5	178	-56.6	-156.4	-58.8	0	0	110.7	E53 I76	E53-Q78 PolarHBondContact O-NE2 3.38Å; I76-Q78 PolarHBondContact O-N 2.67Å
79	V	52.1	Low	68.2	Low	131 Å²	131	60.1 Å²	60.1	79%	0.794	34%	0.338	S	S	*	.			trans	-108	86.8	168.5	-171	0	0	0	0	107.9	P77	P77-V79 PolarHBondContact O-N 3.32Å
80	G	55.8	Low	66.6	Low	56 Å²	56	62 Å²	62	58%	0.577	35%	0.352	S	S	*	.	S	Bend	trans	104.9	-169.3	176.1	0	0	0	0	0	115.5
81	T	51.7	Low	65.2	Low	145 Å²	145	66.4 Å²	66.4	89%	0.89	38%	0.379	S	S	*	.	S	Bend	trans	-88.4	-11	-174.9	23.5	0	0	0	0	115.3
82	K	48.6	Very low	63.8	Low	167 Å²	167	67.8 Å²	67.8	73%	0.726	38%	0.38	S	S	*	.			trans	-119.9	126.5	177.2	-71.1	-170.6	177.3	-170.7	0	108.6
83	V	51.2	Low	62.4	Low	47 Å²	47	70.4 Å²	70.4	29%	0.285	39%	0.391	S	S	.	.			trans	-106	82.2	-174.8	-142.4	0	0	0	0	106.5	M55	M55-V83 HydrophobicContact CB-CG1 4.27Å; M55-V83 HydrophobicContact CE-CB 3.71Å; M55-V83 HydrophobicContact CE-CG1 3.41Å; M55-V83 VanDerWaalsContact CE-CG1 3.41Å; M55-V83 WeakPolarHBondContact CE-O 3.16Å; M55-V83 HydrophobicContact CG-CG1 3.51Å; M55-V83 HydrophobicContact SD-CG1 3.61Å
84	S	51.6	Low	61.2	Low	32 Å²	32	74.1 Å²	74.1	22%	0.224	41%	0.414	C	S	.	.			trans	-111.6	124	170.3	49.4	0	0	0	0	108.3	E86 E87	S84-E86 PolarHBondContact O-N 3.31Å; S84-E86 VanDerWaalsContact O-N 3.12Å; S84-E87 PolarHBondContact O-N 3.25Å; S84-E87 VanDerWaalsContact O-N 3.13Å; S84-E87 WeakPolarHBondContact OG-CG 3.15Å
85	V	50.4	Low	60.3	Low	14 Å²	14	77.7 Å²	77.7	9%	0.085	43%	0.429	C	S	.	.	G	3₁₀ helix	trans	-58.8	-24.4	174.5	179.5	0	0	0	0	110.5	M55 E87 M88 W112 T130 L134	M55-V85 HydrophobicContact CE-CG2 3.77Å; M55-V85 HydrophobicContact SD-CG2 3.51Å; M55-V85 VanDerWaalsContact SD-CG2 3.51Å; V85-E87 PolarHBondContact O-N 3.24Å; V85-M88 HydrophobicContact CG1-SD 4.07Å; V85-M88 WeakPolarHBondContact O-CB 3.34Å; V85-M88 WeakPolarHBondContact O-CG 3.27Å; V85-M88 PolarHBondContact O-N 3.24Å; V85-M88 VanDerWaalsContact O-N 3.08Å; V85-W112 HydrophobicContact CG2-CE3 4.45Å; V85-T130 HydrophobicContact CB-CG2 3.67Å; V85-T130 HydrophobicContact CG2-CG2 3.53Å; V85-L134 HydrophobicContact CG1-CD2 4.4Å
86	E	50	Low	59.5	Low	93 Å²	93	75.2 Å²	75.2	44%	0.435	42%	0.416	S	S	.	.	G	3₁₀ helix	trans	-60.2	-25.1	177.6	-60.2	-178.9	-165	0	0	113.9	S84 M88 N129 N133	S84-E86 PolarHBondContact O-N 3.31Å; S84-E86 VanDerWaalsContact O-N 3.12Å; E86-M88 VanDerWaalsContact C-N 3.32Å; E86-N129 PolarHBondContact OE1-ND2 2.88Å; E86-N129 PolarHBondContact OE2-ND2 2.92Å; E86-N133 PolarHBondContact OE1-ND2 3.5Å
87	E	50.5	Low	59.1	Low	141 Å²	141	75.6 Å²	75.6	66%	0.659	42%	0.42	S	S	*	.	G	3₁₀ helix	trans	-87.5	-1.2	178.5	-69.9	-176.6	-167.5	0	0	113.3	S84 V85 D89	S84-E87 PolarHBondContact O-N 3.25Å; S84-E87 VanDerWaalsContact O-N 3.13Å; S84-E87 WeakPolarHBondContact OG-CG 3.15Å; V85-E87 PolarHBondContact O-N 3.24Å; E87-D89 PolarHBondContact O-N 3.03Å
88	M	52.4	Low	59.3	Low	27 Å²	27	75.2 Å²	75.2	13%	0.133	41%	0.414	C	S	.	.	S	Bend	trans	-73.8	95.7	173.3	-61.2	179.7	75.6	0	0	108.9	I76 V85 E86 S90 Y92 Q93 L96	I76-M88 HydrophobicContact CD1-CE 3.99Å; I76-M88 HydrophobicContact CD1-SD 3.87Å; I76-M88 HydrophobicContact CG1-CE 4.25Å; I76-M88 HydrophobicContact CG2-CE 3.86Å; I76-M88 HydrophobicContact CG2-SD 4.2Å; V85-M88 HydrophobicContact CG1-SD 4.07Å; V85-M88 WeakPolarHBondContact O-CB 3.34Å; V85-M88 WeakPolarHBondContact O-CG 3.27Å; V85-M88 PolarHBondContact O-N 3.24Å; V85-M88 VanDerWaalsContact O-N 3.08Å; E86-M88 VanDerWaalsContact C-N 3.32Å; M88-S90 PolarHBondContact O-N 2.82Å; M88-Y92 HydrophobicContact CE-CD1 3.2Å; M88-Y92 HydrophobicContact CE-CE1 3.11Å; M88-Y92 HydrophobicContact CE-CG 4.44Å; M88-Q93 HydrophobicContact CB-CG 4.09Å; M88-Q93 PolarHBondContact O-NE2 2.91Å; M88-L96 HydrophobicContact CE-CD2 3.97Å
89	D	56.3	Low	59.9	Low	92 Å²	92	75.8 Å²	75.8	49%	0.492	42%	0.417	S	S	.	.			trans	-41.1	138	171.8	176.9	19.6	0	0	0	110.6	E87 T91 Y92 Q93	E87-D89 PolarHBondContact O-N 3.03Å; D89-T91 PolarHBondContact O-N 3.2Å; D89-T91 PolarHBondContact OD1-N 2.93Å; D89-T91 PolarHBondContact OD1-OG1 2.65Å; D89-T91 VanDerWaalsContact OD2-CB 3.24Å; D89-T91 WeakPolarHBondContact OD2-CB 3.24Å; D89-T91 PolarHBondContact OD2-OG1 2.83Å; D89-Y92 WeakPolarHBondContact O-CA 3.42Å; D89-Y92 WeakPolarHBondContact O-CB 3.5Å; D89-Y92 PolarHBondContact O-N 2.85Å; D89-Q93 PolarHBondContact O-N 3.37Å; D89-Q93 VanDerWaalsContact O-N 3.07Å
90	S	60.8	Low	61.2	Low	49 Å²	49	70 Å²	70	34%	0.343	38%	0.382	S	S	.	.	H	α-helix	trans	-45.6	-33.9	175	61.2	0	0	0	0	113	M88 Q93 T94	M88-S90 PolarHBondContact O-N 2.82Å; S90-Q93 PolarHBondContact O-N 2.84Å; S90-T94 PolarHBondContact O-N 3.29Å; S90-T94 VanDerWaalsContact O-N 3.07Å; S90-T94 PolarHBondContact O-OG1 2.91Å
91	T	66.2	Low	62.4	Low	92 Å²	92	73.9 Å²	73.9	56%	0.564	38%	0.383	S	S	*	.	H	α-helix	trans	-65.5	-43.3	175.2	-28.2	0	0	0	0	112.1	D89 H95	D89-T91 PolarHBondContact O-N 3.2Å; D89-T91 PolarHBondContact OD1-N 2.93Å; D89-T91 PolarHBondContact OD1-OG1 2.65Å; D89-T91 VanDerWaalsContact OD2-CB 3.24Å; D89-T91 WeakPolarHBondContact OD2-CB 3.24Å; D89-T91 PolarHBondContact OD2-OG1 2.83Å; T91-H95 VanDerWaalsContact O-CB 3.26Å; T91-H95 WeakPolarHBondContact O-CB 3.43Å; T91-H95 PolarHBondContact O-N 2.96Å
92	Y	64.6	Low	63.8	Low	71 Å²	71	75.2 Å²	75.2	28%	0.278	38%	0.377	S	S	.	.	H	α-helix	trans	-66.4	-41.2	176.5	-170.7	-81.2	0	0	0	111.2	P77 M88 D89 T94 H95 L96	P77-Y92 WeakPolarHBondContact CD-OH 3.06Å; P77-Y92 WeakPolarHBondContact CG-OH 3.48Å; M88-Y92 HydrophobicContact CE-CD1 3.2Å; M88-Y92 HydrophobicContact CE-CE1 3.11Å; M88-Y92 HydrophobicContact CE-CG 4.44Å; D89-Y92 WeakPolarHBondContact O-CA 3.42Å; D89-Y92 WeakPolarHBondContact O-CB 3.5Å; D89-Y92 PolarHBondContact O-N 2.85Å; Y92-T94 PolarHBondContact O-N 3.37Å; Y92-H95 CarbonylContact O-C 3.38Å; Y92-H95 PolarHBondContact O-N 2.9Å; Y92-L96 HydrophobicContact CD1-CB 4.39Å; Y92-L96 HydrophobicContact CE1-CB 4.23Å; Y92-L96 HydrophobicContact CE1-CD2 4.21Å; Y92-L96 VanDerWaalsContact O-CB 3.27Å; Y92-L96 WeakPolarHBondContact O-CB 3.16Å; Y92-L96 PolarHBondContact O-N 3.47Å
93	Q	62.8	Low	65.2	Low	72 Å²	72	70.8 Å²	70.8	34%	0.336	37%	0.371	S	S	.	.	H	α-helix	trans	-63	-44.4	178.4	-62.4	-178.6	13.8	0	0	111.9	M88 D89 S90 H95 L96 A97	M88-Q93 HydrophobicContact CB-CG 4.09Å; M88-Q93 PolarHBondContact O-NE2 2.91Å; D89-Q93 PolarHBondContact O-N 3.37Å; D89-Q93 VanDerWaalsContact O-N 3.07Å; S90-Q93 PolarHBondContact O-N 2.84Å; Q93-H95 VanDerWaalsContact C-N 3.32Å; Q93-H95 PolarHBondContact O-N 2.99Å; Q93-L96 PolarHBondContact O-N 3.49Å; Q93-A97 PolarHBondContact O-N 2.9Å
94	T	66.8	Low	66.6	Low	80 Å²	80	71.1 Å²	71.1	49%	0.491	38%	0.384	S	S	.	.	H	α-helix	trans	-63.9	-42.1	175.8	-47.5	0	0	0	0	110.5	S90 Y92 L96 A97 D98	S90-T94 PolarHBondContact O-N 3.29Å; S90-T94 VanDerWaalsContact O-N 3.07Å; S90-T94 PolarHBondContact O-OG1 2.91Å; Y92-T94 PolarHBondContact O-N 3.37Å; T94-L96 PolarHBondContact O-N 3.03Å; T94-A97 PolarHBondContact O-N 2.87Å; T94-D98 PolarHBondContact O-N 3.23Å
95	H	71.2	Confident	67.9	Low	99 Å²	99	72.2 Å²	72.2	46%	0.458	38%	0.384	S	S	.	.	H	α-helix	trans	-65.1	-39.5	177.1	-169.5	36.7	0	0	0	112.3	T91 Y92 Q93 D98 M99	T91-H95 VanDerWaalsContact O-CB 3.26Å; T91-H95 WeakPolarHBondContact O-CB 3.43Å; T91-H95 PolarHBondContact O-N 2.96Å; Y92-H95 CarbonylContact O-C 3.38Å; Y92-H95 PolarHBondContact O-N 2.9Å; Q93-H95 VanDerWaalsContact C-N 3.32Å; Q93-H95 PolarHBondContact O-N 2.99Å; H95-D98 PolarHBondContact O-N 3.4Å; H95-M99 WeakPolarHBondContact O-CB 3.41Å; H95-M99 VanDerWaalsContact O-CG 3.29Å; H95-M99 WeakPolarHBondContact O-CG 3.41Å; H95-M99 PolarHBondContact O-N 2.79Å
96	L	71.6	Confident	69.3	Low	14 Å²	14	78 Å²	78	7%	0.073	42%	0.419	C	S	.	.	H	α-helix	trans	-63.2	-46.3	176.2	-176.6	63	0	0	0	110.6	L57 M88 Y92 Q93 T94 D98 M99 L100	L57-L96 HydrophobicContact CD1-CD2 3.44Å; L57-L96 VanDerWaalsContact CD1-CD2 3.44Å; L57-L96 HydrophobicContact CD1-CG 4.4Å; L57-L96 HydrophobicContact CG-CD2 4.48Å; M88-L96 HydrophobicContact CE-CD2 3.97Å; Y92-L96 HydrophobicContact CD1-CB 4.39Å; Y92-L96 HydrophobicContact CE1-CB 4.23Å; Y92-L96 HydrophobicContact CE1-CD2 4.21Å; Y92-L96 VanDerWaalsContact O-CB 3.27Å; Y92-L96 WeakPolarHBondContact O-CB 3.16Å; Y92-L96 PolarHBondContact O-N 3.47Å; Q93-L96 PolarHBondContact O-N 3.49Å; T94-L96 PolarHBondContact O-N 3.03Å; L96-D98 VanDerWaalsContact C-N 3.32Å; L96-D98 PolarHBondContact O-N 2.89Å; L96-M99 HydrophobicContact CD1-CE 4.05Å; L96-M99 PolarHBondContact O-N 3.35Å; L96-L100 HydrophobicContact CD1-CG 4.45Å; L96-L100 HydrophobicContact CG-CD1 4.14Å; L96-L100 HydrophobicContact CG-CG 4.46Å; L96-L100 WeakPolarHBondContact O-CB 3.47Å; L96-L100 WeakPolarHBondContact O-CG 3.46Å; L96-L100 PolarHBondContact O-N 2.99Å
97	A	70.9	Confident	71	Confident	18 Å²	18	76.6 Å²	76.6	15%	0.149	41%	0.413	C	S	.	.	H	α-helix	trans	-59.4	-41.9	174.9	0	0	0	0	0	112.2	L12 Q93 T94 L100 K101	L12-A97 HydrophobicContact CD1-CB 3.78Å; Q93-A97 PolarHBondContact O-N 2.9Å; T94-A97 PolarHBondContact O-N 2.87Å; A97-L100 PolarHBondContact O-N 2.78Å; A97-K101 WeakPolarHBondContact O-CG 3.32Å; A97-K101 PolarHBondContact O-N 2.81Å
98	D	75.1	Confident	72.7	Confident	75 Å²	75	73 Å²	73	40%	0.401	40%	0.395	S	S	.	.	H	α-helix	trans	-67.4	-40.1	175.8	-82.8	-8.6	0	0	0	112.6	T94 H95 L96 K101 K102	T94-D98 PolarHBondContact O-N 3.23Å; H95-D98 PolarHBondContact O-N 3.4Å; L96-D98 VanDerWaalsContact C-N 3.32Å; L96-D98 PolarHBondContact O-N 2.89Å; D98-K101 PolarHBondContact O-N 2.96Å; D98-K102 WeakPolarHBondContact O-CB 3.32Å; D98-K102 VanDerWaalsContact O-CG 3.25Å; D98-K102 WeakPolarHBondContact O-CG 3.23Å; D98-K102 PolarHBondContact O-N 2.92Å
99	M	77.2	Confident	74.4	Confident	76 Å²	76	75.1 Å²	75.1	37%	0.374	41%	0.407	S	S	.	.	H	α-helix	trans	-64.7	-42.8	175.1	-76.3	-162.9	-54.1	0	0	111.3	H95 L96 K102 A103	H95-M99 WeakPolarHBondContact O-CB 3.41Å; H95-M99 VanDerWaalsContact O-CG 3.29Å; H95-M99 WeakPolarHBondContact O-CG 3.41Å; H95-M99 PolarHBondContact O-N 2.79Å; L96-M99 HydrophobicContact CD1-CE 4.05Å; L96-M99 PolarHBondContact O-N 3.35Å; M99-K102 PolarHBondContact O-N 3.31Å; M99-A103 VanDerWaalsContact O-CB 3.27Å; M99-A103 WeakPolarHBondContact O-CB 3.16Å; M99-A103 PolarHBondContact O-N 3.22Å
100	L	79.1	Confident	76.1	Confident	11 Å²	11	70.7 Å²	70.7	6%	0.058	38%	0.383	C	S	.	.	H	α-helix	trans	-58.5	-50.2	175.4	-73.4	171.8	0	0	0	110.4	M59 V74 L96 A97 K102 A103 G104 Y105	M59-L100 HydrophobicContact CE-CD1 4.3Å; M59-L100 HydrophobicContact SD-CD1 4.02Å; V74-L100 HydrophobicContact CB-CD2 4.13Å; V74-L100 HydrophobicContact CG1-CD2 3.91Å; V74-L100 HydrophobicContact CG2-CD2 3.66Å; L96-L100 HydrophobicContact CD1-CG 4.45Å; L96-L100 HydrophobicContact CG-CD1 4.14Å; L96-L100 HydrophobicContact CG-CG 4.46Å; L96-L100 WeakPolarHBondContact O-CB 3.47Å; L96-L100 WeakPolarHBondContact O-CG 3.46Å; L96-L100 PolarHBondContact O-N 2.99Å; A97-L100 PolarHBondContact O-N 2.78Å; L100-K102 VanDerWaalsContact C-N 3.34Å; L100-K102 PolarHBondContact O-N 3.39Å; L100-A103 PolarHBondContact O-N 3.47Å; L100-G104 PolarHBondContact O-N 2.83Å; L100-Y105 HydrophobicContact CB-CD2 4.43Å; L100-Y105 HydrophobicContact CD2-CD2 3.7Å; L100-Y105 HydrophobicContact CD2-CE2 4.15Å; L100-Y105 HydrophobicContact CD2-CG 4.07Å; L100-Y105 WeakPolarHBondContact O-CB 3.17Å; L100-Y105 PolarHBondContact O-N 2.71Å
101	K	80.8	Confident	77.6	Confident	137 Å²	137	68.6 Å²	68.6	60%	0.596	37%	0.369	S	S	*	.	H	α-helix	trans	-58.3	-44.1	175.5	-77.5	179.9	179	176.2	0	112.5	A97 D98 A103 G104	A97-K101 WeakPolarHBondContact O-CG 3.32Å; A97-K101 PolarHBondContact O-N 2.81Å; D98-K101 PolarHBondContact O-N 2.96Å; K101-A103 VanDerWaalsContact C-N 3.34Å; K101-G104 PolarHBondContact O-N 2.63Å; K101-G104 VanDerWaalsContact O-N 3.17Å
102	K	80.9	Confident	78.9	Confident	173 Å²	173	64.2 Å²	64.2	75%	0.752	34%	0.342	S	S	*	.	H	α-helix	trans	-67	-33.9	178	-75.4	173.1	-177	174.3	0	113	D98 M99 L100 G104	D98-K102 WeakPolarHBondContact O-CB 3.32Å; D98-K102 VanDerWaalsContact O-CG 3.25Å; D98-K102 WeakPolarHBondContact O-CG 3.23Å; D98-K102 PolarHBondContact O-N 2.92Å; M99-K102 PolarHBondContact O-N 3.31Å; L100-K102 VanDerWaalsContact C-N 3.34Å; L100-K102 PolarHBondContact O-N 3.39Å; K102-G104 PolarHBondContact O-N 3.35Å
103	A	79	Confident	80.4	Confident	74 Å²	74	60.9 Å²	60.9	61%	0.612	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-1.1	175.5	0	0	0	0	0	112.9	M99 L100 K101 Y105	M99-A103 VanDerWaalsContact O-CB 3.27Å; M99-A103 WeakPolarHBondContact O-CB 3.16Å; M99-A103 PolarHBondContact O-N 3.22Å; L100-A103 PolarHBondContact O-N 3.47Å; K101-A103 VanDerWaalsContact C-N 3.34Å; A103-Y105 HydrophobicContact CB-CD2 3.88Å; A103-Y105 HydrophobicContact CB-CE2 4.02Å
104	G	80.2	Confident	81.8	Confident	53 Å²	53	57.6 Å²	57.6	55%	0.546	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.3	4.9	177.2	0	0	0	0	0	114.3	L100 K101 K102 T106	L100-G104 PolarHBondContact O-N 2.83Å; K101-G104 PolarHBondContact O-N 2.63Å; K101-G104 VanDerWaalsContact O-N 3.17Å; K102-G104 PolarHBondContact O-N 3.35Å; G104-T106 PolarHBondContact O-N 3.32Å
105	Y	79.1	Confident	83	Confident	56 Å²	56	53.8 Å²	53.8	22%	0.22	29%	0.29	C	S	.	.			trans	-71.3	110.8	169.8	-64.2	-85.7	0	0	0	108.7	K41 M59 D72 V74 L100 A103	K41-Y105 PolarHBondContact NZ-OH 2.88Å; M59-Y105 HydrophobicContact CG-CD1 4.2Å; D72-Y105 HydrophobicContact CB-CE1 4.01Å; D72-Y105 VanDerWaalsContact OD2-CE1 3.23Å; D72-Y105 WeakPolarHBondContact OD2-CE1 3.25Å; D72-Y105 PolarHBondContact OD2-OH 2.68Å; V74-Y105 HydrophobicContact CG2-CD1 4.46Å; V74-Y105 HydrophobicContact CG2-CE1 3.88Å; V74-Y105 HydrophobicContact CG2-CE2 4.13Å; L100-Y105 HydrophobicContact CB-CD2 4.43Å; L100-Y105 HydrophobicContact CD2-CD2 3.7Å; L100-Y105 HydrophobicContact CD2-CE2 4.15Å; L100-Y105 HydrophobicContact CD2-CG 4.07Å; L100-Y105 WeakPolarHBondContact O-CB 3.17Å; L100-Y105 PolarHBondContact O-N 2.71Å; A103-Y105 HydrophobicContact CB-CD2 3.88Å; A103-Y105 HydrophobicContact CB-CE2 4.02Å
106	T	80.2	Confident	83.9	Confident	135 Å²	135	49.1 Å²	49.1	83%	0.828	27%	0.269	S	S	*	.			trans	-99.2	-9.8	177.5	50.9	0	0	0	0	112.6	G104	G104-T106 PolarHBondContact O-N 3.32Å
107	E	84.3	Confident	84.7	Confident	64 Å²	64	49.7 Å²	49.7	30%	0.299	27%	0.273	S	S	.	.	S	Bend	trans	-80	164.2	-177.2	-64.7	-173.1	138.7	0	0	112.7	M59 T71	M59-E107 HydrophobicContact CB-CB 4.46Å; M59-E107 HydrophobicContact CE-CB 4.48Å; M59-E107 WeakPolarHBondContact CE-O 3.36Å; T71-E107 WeakPolarHBondContact CB-OE1 3.29Å; T71-E107 WeakPolarHBondContact CB-OE2 3.5Å; T71-E107 WeakPolarHBondContact CG2-OE1 3.25Å; T71-E107 PolarHBondContact OG1-OE1 3.02Å; T71-E107 PolarHBondContact OG1-OE2 2.93Å; T71-E107 VanDerWaalsContact OG1-OE2 3.11Å
108	E	86.1	Confident	85.5	Confident	64 Å²	64	51.4 Å²	51.4	30%	0.299	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	160.8	177.6	-61.8	-167.7	143.2	0	0	111.2	Q15 M59 G60 V110	Q15-E108 WeakPolarHBondContact CB-OE1 3.38Å; Q15-E108 PolarHBondContact N-OE1 2.75Å; M59-E108 WeakPolarHBondContact CA-O 3.41Å; G60-E108 PolarHBondContact N-O 2.96Å; G60-E108 PolarHBondContact O-N 3.27Å; E108-V110 PolarHBondContact O-N 2.77Å
109	I	88.8	Confident	86	Confident	72 Å²	72	52.5 Å²	52.5	37%	0.369	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	112.8	170.7	-62.1	161.5	0	0	0	107.4	L57 L58 M59 G111	L57-I109 HydrophobicContact CB-CG2 4.48Å; L57-I109 HydrophobicContact CD1-CD1 3.87Å; L57-I109 HydrophobicContact CD1-CG1 4.3Å; L57-I109 HydrophobicContact CD2-CG2 4.35Å; L58-I109 CarbonylContact O-C 3.51Å; L58-I109 WeakPolarHBondContact O-CA 3.49Å; M59-I109 HydrophobicContact CE-CG1 4.17Å; M59-I109 HydrophobicContact SD-CG1 3.74Å; I109-G111 WeakPolarHBondContact CG2-O 3.49Å
110	V	92.5	Very high	86.4	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	-10.2	-179.5	-64.3	0	0	0	0	113	L58 G60 F62 V68 V70 E108 A141 I142	L58-V110 HydrophobicContact CB-CG2 3.9Å; L58-V110 PolarHBondContact O-N 3.12Å; G60-V110 VanDerWaalsContact C-CG1 3.42Å; F62-V110 HydrophobicContact CD2-CG1 4.23Å; F62-V110 HydrophobicContact CE1-CB 4.31Å; F62-V110 HydrophobicContact CE1-CG1 4.36Å; F62-V110 HydrophobicContact CE2-CB 4.29Å; F62-V110 HydrophobicContact CE2-CG1 3.85Å; F62-V110 HydrophobicContact CZ-CB 3.89Å; F62-V110 HydrophobicContact CZ-CG1 3.92Å; V68-V110 HydrophobicContact CG1-CB 3.82Å; V68-V110 HydrophobicContact CG1-CG1 4.27Å; V68-V110 HydrophobicContact CG1-CG2 4.13Å; V70-V110 HydrophobicContact CG2-CG2 4.02Å; E108-V110 PolarHBondContact O-N 2.77Å; V110-A141 WeakPolarHBondContact O-CA 3.18Å; V110-I142 PolarHBondContact O-N 3.21Å; V110-I142 VanDerWaalsContact O-N 3.07Å
111	G	93	Very high	86.9	Confident	4 Å²	4	48.9 Å²	48.9	4%	0.041	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	167.2	-161.2	-178.5	0	0	0	0	0	112.1	L58 I109 I142	L58-G111 PolarHBondContact N-O 2.82Å; I109-G111 WeakPolarHBondContact CG2-O 3.49Å; G111-I142 CarbonylContact C-O 3.56Å; G111-I142 WeakPolarHBondContact CA-O 3.48Å
112	W	93.4	Very high	87.3	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	162	-179.9	69.1	-65.2	0	0	0	109.9	M55 G56 L57 L58 V85 H114 D127 T130 Q131 L134 I142 A143 V144	M55-W112 HydrophobicContact CE-CZ3 4.33Å; G56-W112 CarbonylContact O-C 3.58Å; G56-W112 VanDerWaalsContact O-CA 3.3Å; G56-W112 WeakPolarHBondContact O-CA 3.23Å; G56-W112 WeakPolarHBondContact O-CB 3.27Å; L57-W112 HydrophobicContact CD2-CB 4.38Å; L58-W112 WeakPolarHBondContact CD1-O 3.35Å; V85-W112 HydrophobicContact CG2-CE3 4.45Å; W112-H114 HydrophobicContact CE3-CB 4.37Å; W112-H114 AromaticContact CE3-ND1 3.84Å; W112-H114 AromaticContact CH2-CE1 3.64Å; W112-H114 AromaticContact CH2-ND1 3.24Å; W112-H114 WeakPolarHBondContact CH2-ND1 3.23Å; W112-H114 HydrophobicContact CZ3-CB 3.87Å; W112-H114 AromaticContact CZ3-CE1 3.98Å; W112-H114 AromaticContact CZ3-CG 3.7Å; W112-H114 AromaticContact CZ3-ND1 3.12Å; W112-H114 WeakPolarHBondContact CZ3-ND1 3.35Å; W112-D127 HydrophobicContact CH2-CB 4.07Å; W112-D127 HydrophobicContact CZ2-CB 4.45Å; W112-T130 HydrophobicContact CD2-CG2 4.42Å; W112-T130 HydrophobicContact CE3-CG2 4.46Å; W112-T130 HydrophobicContact CH2-CG2 3.87Å; W112-T130 HydrophobicContact CZ2-CG2 3.83Å; W112-T130 HydrophobicContact CZ3-CG2 4.19Å; W112-Q131 HydrophobicContact CZ2-CB 4.26Å; W112-L134 HydrophobicContact CB-CD1 4.04Å; W112-L134 HydrophobicContact CD2-CD1 4.07Å; W112-L134 HydrophobicContact CG-CD1 3.51Å; W112-I142 PolarHBondContact N-O 3.01Å; W112-A143 HydrophobicContact CZ2-CB 4.19Å; W112-V144 PolarHBondContact O-N 3.19Å
113	Y	94.9	Very high	87.6	Confident	1 Å²	1	36.3 Å²	36.3	0%	0.004	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	153.3	172.4	75.6	-86.1	0	0	0	111	I42 H45 M55 G56 L58 A73 N75 V144	I42-Y113 HydrophobicContact CB-CD2 4.37Å; I42-Y113 HydrophobicContact CB-CE2 4.24Å; I42-Y113 HydrophobicContact CD1-CD1 4.39Å; I42-Y113 HydrophobicContact CD1-CG 4.43Å; I42-Y113 HydrophobicContact CG1-CD1 3.98Å; I42-Y113 HydrophobicContact CG1-CD2 4.14Å; I42-Y113 HydrophobicContact CG1-CE1 3.92Å; I42-Y113 HydrophobicContact CG1-CE2 4.1Å; I42-Y113 HydrophobicContact CG1-CG 4.07Å; I42-Y113 HydrophobicContact CG2-CD2 3.59Å; I42-Y113 HydrophobicContact CG2-CE2 3.78Å; I42-Y113 HydrophobicContact CG2-CG 4.15Å; H45-Y113 AromaticContact ND1-CE2 3.86Å; H45-Y113 AromaticContact ND1-CZ 3.7Å; H45-Y113 PolarHBondContact ND1-OH 3.45Å; M55-Y113 CarbonylContact C-O 3.54Å; M55-Y113 WeakPolarHBondContact CA-O 3.32Å; M55-Y113 WeakPolarHBondContact CB-O 3.33Å; G56-Y113 PolarHBondContact N-O 3.11Å; G56-Y113 WeakPolarHBondContact O-CD1 3.34Å; G56-Y113 PolarHBondContact O-N 2.72Å; L58-Y113 HydrophobicContact CD2-CD1 3.69Å; L58-Y113 HydrophobicContact CD2-CG 4.32Å; L58-Y113 HydrophobicContact CG-CD1 4.23Å; A73-Y113 HydrophobicContact CB-CE1 4Å; N75-Y113 PolarHBondContact OD1-OH 3.39Å; Y113-V144 CarbonylContact C-O 3.46Å; Y113-V144 WeakPolarHBondContact CA-O 3.17Å; Y113-V144 WeakPolarHBondContact CB-O 3.15Å
114	H	92.9	Very high	88	Confident	4 Å²	4	33.6 Å²	33.6	2%	0.019	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	164.9	165.9	64.6	-79.2	0	0	0	111	V54 M55 W112 H116 D127 V144 V145 V146	V54-H114 CarbonylContact O-C 3.51Å; V54-H114 WeakPolarHBondContact O-CA 3.35Å; V54-H114 WeakPolarHBondContact O-CB 3.44Å; M55-H114 HydrophobicContact CB-CB 4.06Å; W112-H114 HydrophobicContact CE3-CB 4.37Å; W112-H114 AromaticContact CE3-ND1 3.84Å; W112-H114 AromaticContact CH2-CE1 3.64Å; W112-H114 AromaticContact CH2-ND1 3.24Å; W112-H114 WeakPolarHBondContact CH2-ND1 3.23Å; W112-H114 HydrophobicContact CZ3-CB 3.87Å; W112-H114 AromaticContact CZ3-CE1 3.98Å; W112-H114 AromaticContact CZ3-CG 3.7Å; W112-H114 AromaticContact CZ3-ND1 3.12Å; W112-H114 WeakPolarHBondContact CZ3-ND1 3.35Å; H114-H116 AromaticContact CD2-CD2 3.65Å; H114-H116 AromaticContact CD2-CE1 3.97Å; H114-H116 AromaticContact CD2-NE2 3.42Å; H114-H116 PolarHBondContact CD2-NE2 2.9Å; H114-H116 AromaticContact NE2-CD2 3.9Å; H114-H116 AromaticContact NE2-CE1 3.43Å; H114-H116 PolarHBondContact NE2-CE1 2.08Å; H114-H116 AromaticContact NE2-NE2 3.31Å; H114-H116 PolarHBondContact NE2-NE2 3.08Å; H114-D127 IonicContact CD2-OD1 3.39Å; H114-D127 IonicContact CE1-OD1 3.9Å; H114-D127 IonicContact NE2-OD1 2.77Å; H114-D127 IonicContact NE2-OD2 3.46Å; H114-V144 PolarHBondContact N-O 2.79Å; H114-V145 WeakPolarHBondContact O-CA 3.29Å; H114-V146 PolarHBondContact O-N 3.35Å
115	S	91.8	Very high	88.3	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	140.2	179.3	67.8	0	0	0	0	112.3	E53 V54 P117 V146	E53-S115 WeakPolarHBondContact CA-OG 3.46Å; E53-S115 WeakPolarHBondContact CB-O 3.31Å; E53-S115 VanDerWaalsContact CG-O 3.3Å; E53-S115 WeakPolarHBondContact CG-O 3.45Å; V54-S115 PolarHBondContact N-OG 2.8Å; V54-S115 PolarHBondContact O-N 2.68Å; S115-P117 WeakPolarHBondContact O-CD 3.2Å; S115-V146 CarbonylContact C-O 3.6Å; S115-V146 WeakPolarHBondContact CA-O 3.34Å; S115-V146 WeakPolarHBondContact CB-O 3.38Å
116	H	89.9	Confident	88.6	Confident	1 Å²	1	37.2 Å²	37.2	1%	0.005	22%	0.219	C	C	.	.			trans	-118.4	81.2	168.1	-80.3	173.7	0	0	0	109.6	E53 H114 G118 L119 G120 W122 D127 V145 V146 D147	E53-H116 IonicContact OE1-CD2 3.97Å; E53-H116 PolarHBondContact OE1-CD2 2.75Å; E53-H116 IonicContact OE1-NE2 3.54Å; H114-H116 AromaticContact CD2-CD2 3.65Å; H114-H116 AromaticContact CD2-CE1 3.97Å; H114-H116 AromaticContact CD2-NE2 3.42Å; H114-H116 PolarHBondContact CD2-NE2 2.9Å; H114-H116 AromaticContact NE2-CD2 3.9Å; H114-H116 AromaticContact NE2-CE1 3.43Å; H114-H116 PolarHBondContact NE2-CE1 2.08Å; H114-H116 AromaticContact NE2-NE2 3.31Å; H114-H116 PolarHBondContact NE2-NE2 3.08Å; H116-G118 PolarHBondContact O-N 3.07Å; H116-G118 VanDerWaalsContact O-N 3.11Å; H116-L119 HydrophobicContact CB-CB 4.26Å; H116-L119 PolarHBondContact O-N 2.84Å; H116-G120 VanDerWaalsContact CB-O 3.29Å; H116-G120 WeakPolarHBondContact CB-O 3.42Å; H116-W122 PolarHBondContact CE1-O 3.39Å; H116-W122 AromaticContact ND1-NE1 3.96Å; H116-W122 PolarHBondContact ND1-O 2.84Å; H116-W122 VanDerWaalsContact ND1-O 3.14Å; H116-D127 IonicContact CE1-OD2 3.8Å; H116-D127 PolarHBondContact CE1-OD2 3.38Å; H116-D127 IonicContact NE2-OD2 3.68Å; H116-V145 HydrophobicContact CB-CG1 3.99Å; H116-V146 PolarHBondContact N-O 2.84Å; H116-D147 WeakPolarHBondContact O-CB 2.96Å
117	P	89.1	Confident	89	Confident	25 Å²	25	31.4 Å²	31.4	16%	0.162	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	112.3	-168.9	-9.8	24.8	0	0	0	112	S115 L119 P148 F149	S115-P117 WeakPolarHBondContact O-CD 3.2Å; P117-L119 VanDerWaalsContact C-N 3.34Å; P117-P148 HydrophobicContact CB-CG 4.39Å; P117-F149 HydrophobicContact CB-CD2 3.67Å; P117-F149 HydrophobicContact CB-CE2 3.59Å
118	G	86.1	Confident	89.1	Confident	54 Å²	54	30.3 Å²	30.3	56%	0.557	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.5	8.2	179.4	0	0	0	0	0	115.7	H116 D147	H116-G118 PolarHBondContact O-N 3.07Å; H116-G118 VanDerWaalsContact O-N 3.11Å; G118-D147 VanDerWaalsContact CA-OD2 3.27Å; G118-D147 WeakPolarHBondContact CA-OD2 3.42Å; G118-D147 VanDerWaalsContact N-CG 3.26Å; G118-D147 PolarHBondContact N-OD1 2.92Å; G118-D147 PolarHBondContact N-OD2 3.04Å
119	L	85.6	Confident	89.2	Confident	99 Å²	99	31 Å²	31	52%	0.518	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.9	-9.1	-179.8	-58.9	176	0	0	0	113.1	H116 P117 W122 D147	H116-L119 HydrophobicContact CB-CB 4.26Å; H116-L119 PolarHBondContact O-N 2.84Å; P117-L119 VanDerWaalsContact C-N 3.34Å; L119-W122 PolarHBondContact O-NE1 3.26Å; L119-D147 PolarHBondContact N-OD2 3.33Å
120	G	87	Confident	89.1	Confident	7 Å²	7	27.8 Å²	27.8	7%	0.072	17%	0.168	C	C	.	.			trans	73.9	178.6	-170.8	0	0	0	0	0	114.9	H116 W122 D147	H116-G120 VanDerWaalsContact CB-O 3.29Å; H116-G120 WeakPolarHBondContact CB-O 3.42Å; G120-W122 VanDerWaalsContact O-CD1 3.3Å; G120-D147 WeakPolarHBondContact CA-OD2 3.36Å; G120-D147 PolarHBondContact N-OD2 3.4Å
121	C	90	Very high	89	Confident	4 Å²	4	27.8 Å²	27.8	3%	0.027	17%	0.168	C	C	.	.	S	Bend	trans	-93.8	111.2	-172.1	-61.4	0	0	0	0	112.1	V145 M155 E157 F159 Y190	C121-V145 HydrophobicContact CB-CB 3.87Å; C121-V145 HydrophobicContact CB-CG1 4Å; C121-V145 PolarHBondContact SG-O 3.42Å; C121-M155 HydrophobicContact CB-CE 3.51Å; C121-M155 WeakPolarHBondContact SG-CE 3.32Å; C121-E157 HydrophobicContact CB-CB 3.75Å; C121-E157 HydrophobicContact CB-CG 3.88Å; C121-F159 HydrophobicContact CB-CE2 4.13Å; C121-F159 HydrophobicContact CB-CZ 4.16Å; C121-Y190 WeakPolarHBondContact O-CE2 3.26Å
122	W	88.5	Confident	88.7	Confident	45 Å²	45	32.9 Å²	32.9	17%	0.17	19%	0.192	C	C	.	.			trans	-160	163.5	176.6	54.7	-80.8	0	0	0	108.7	H116 L119 G120 Y190 R193	H116-W122 PolarHBondContact CE1-O 3.39Å; H116-W122 AromaticContact ND1-NE1 3.96Å; H116-W122 PolarHBondContact ND1-O 2.84Å; H116-W122 VanDerWaalsContact ND1-O 3.14Å; L119-W122 PolarHBondContact O-NE1 3.26Å; G120-W122 VanDerWaalsContact O-CD1 3.3Å; W122-Y190 HydrophobicContact CB-CE2 4.5Å; W122-R193 VanDerWaalsContact CE3-NH1 3.33Å
123	L	86.9	Confident	88.3	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	21%	0.205	C	C	.	.			trans	-102	128.4	175.9	-59.6	177.1	0	0	0	111.1	D127 M128 A143 V145 F159 L161 Q195 Y199	L123-D127 HydrophobicContact CB-CB 4.05Å; L123-D127 HydrophobicContact CD2-CB 3.91Å; L123-M128 HydrophobicContact CB-CG 3.9Å; L123-M128 HydrophobicContact CD1-CG 4.47Å; L123-A143 HydrophobicContact CD1-CB 4.48Å; L123-A143 HydrophobicContact CD2-CB 4.12Å; L123-V145 HydrophobicContact CD2-CG2 3.75Å; L123-F159 HydrophobicContact CD1-CB 3.86Å; L123-F159 HydrophobicContact CD1-CG 4.42Å; L123-F159 HydrophobicContact CD2-CD2 4.32Å; L123-F159 HydrophobicContact CG-CB 4.3Å; L123-F159 HydrophobicContact CG-CD2 4.27Å; L123-F159 HydrophobicContact CG-CG 4.36Å; L123-L161 HydrophobicContact CD1-CD2 4.16Å; L123-Q195 PolarHBondContact O-NE2 2.86Å; L123-Y199 HydrophobicContact CB-CD1 4.09Å; L123-Y199 HydrophobicContact CB-CE1 3.72Å; L123-Y199 HydrophobicContact CD1-CD1 4.02Å; L123-Y199 HydrophobicContact CD1-CE1 4.45Å; L123-Y199 HydrophobicContact CD1-CG 4.03Å; L123-Y199 HydrophobicContact CG-CD1 4.45Å; L123-Y199 HydrophobicContact CG-CE1 4.4Å; L123-Y199 PolarHBondContact N-OH 3.48Å; L123-Y199 PolarHBondContact O-OH 3.46Å
124	S	87.1	Confident	87.9	Confident	18 Å²	18	37 Å²	37	13%	0.126	21%	0.214	C	C	.	.			trans	-75.2	175.6	169.4	74.2	0	0	0	0	112.7	E126 D127 M128	S124-E126 VanDerWaalsContact C-N 3.27Å; S124-E126 PolarHBondContact O-N 2.88Å; S124-D127 WeakPolarHBondContact CA-OD2 3.5Å; S124-D127 WeakPolarHBondContact CB-OD2 3.34Å; S124-D127 PolarHBondContact N-OD2 3.07Å; S124-D127 PolarHBondContact O-N 2.96Å; S124-D127 PolarHBondContact OG-N 2.89Å; S124-D127 VanDerWaalsContact OG-N 3.14Å; S124-D127 PolarHBondContact OG-OD2 3.5Å; S124-M128 WeakPolarHBondContact O-CB 3.47Å; S124-M128 VanDerWaalsContact O-CG 3.25Å; S124-M128 WeakPolarHBondContact O-CG 3.48Å; S124-M128 PolarHBondContact O-N 3.47Å
125	G	86.2	Confident	87.6	Confident	43 Å²	43	38.8 Å²	38.8	44%	0.443	22%	0.222	S	C	.	.	H	α-helix	trans	-60.7	-42.3	176.3	0	0	0	0	0	111.5	M128 N129	G125-M128 PolarHBondContact O-N 3.09Å; G125-N129 PolarHBondContact O-N 3.22Å
126	E	85.7	Confident	87.2	Confident	142 Å²	142	44.8 Å²	44.8	66%	0.664	25%	0.254	S	S	*	.	H	α-helix	trans	-65.6	-41.6	176.5	-66.6	79.7	177.6	0	0	111.7	S124 N129 T130	S124-E126 VanDerWaalsContact C-N 3.27Å; S124-E126 PolarHBondContact O-N 2.88Å; E126-N129 PolarHBondContact O-N 2.88Å; E126-T130 WeakPolarHBondContact O-CB 3.1Å; E126-T130 PolarHBondContact O-N 3.16Å; E126-T130 PolarHBondContact O-OG1 2.89Å
127	D	88.3	Confident	86.6	Confident	12 Å²	12	49.7 Å²	49.7	6%	0.064	28%	0.275	C	S	.	.	H	α-helix	trans	-67	-39.8	176.6	-56	-41.6	0	0	0	111.6	W112 H114 H116 L123 S124 N129 T130 Q131	W112-D127 HydrophobicContact CH2-CB 4.07Å; W112-D127 HydrophobicContact CZ2-CB 4.45Å; H114-D127 IonicContact CD2-OD1 3.39Å; H114-D127 IonicContact CE1-OD1 3.9Å; H114-D127 IonicContact NE2-OD1 2.77Å; H114-D127 IonicContact NE2-OD2 3.46Å; H116-D127 IonicContact CE1-OD2 3.8Å; H116-D127 PolarHBondContact CE1-OD2 3.38Å; H116-D127 IonicContact NE2-OD2 3.68Å; L123-D127 HydrophobicContact CB-CB 4.05Å; L123-D127 HydrophobicContact CD2-CB 3.91Å; S124-D127 WeakPolarHBondContact CA-OD2 3.5Å; S124-D127 WeakPolarHBondContact CB-OD2 3.34Å; S124-D127 PolarHBondContact N-OD2 3.07Å; S124-D127 PolarHBondContact O-N 2.96Å; S124-D127 PolarHBondContact OG-N 2.89Å; S124-D127 VanDerWaalsContact OG-N 3.14Å; S124-D127 PolarHBondContact OG-OD2 3.5Å; D127-N129 VanDerWaalsContact C-N 3.34Å; D127-T130 PolarHBondContact O-N 2.95Å; D127-Q131 VanDerWaalsContact O-CB 3.3Å; D127-Q131 WeakPolarHBondContact O-CB 3.41Å; D127-Q131 PolarHBondContact O-N 2.89Å
128	M	88.3	Confident	86.4	Confident	42 Å²	42	49.2 Å²	49.2	21%	0.207	27%	0.272	C	S	.	.	H	α-helix	trans	-63.9	-40.2	175.3	-71.4	-175.7	-61.6	0	0	111.3	L123 S124 G125 Q131 M132 L161 C198 Y199	L123-M128 HydrophobicContact CB-CG 3.9Å; L123-M128 HydrophobicContact CD1-CG 4.47Å; S124-M128 WeakPolarHBondContact O-CB 3.47Å; S124-M128 VanDerWaalsContact O-CG 3.25Å; S124-M128 WeakPolarHBondContact O-CG 3.48Å; S124-M128 PolarHBondContact O-N 3.47Å; G125-M128 PolarHBondContact O-N 3.09Å; M128-Q131 PolarHBondContact O-N 2.81Å; M128-M132 VanDerWaalsContact O-CB 3.32Å; M128-M132 WeakPolarHBondContact O-CB 3.1Å; M128-M132 PolarHBondContact O-N 2.91Å; M128-L161 HydrophobicContact CB-CD2 4.18Å; M128-L161 HydrophobicContact CG-CD2 3.9Å; M128-L161 WeakPolarHBondContact O-CD1 3.24Å; M128-C198 HydrophobicContact SD-CB 3.58Å; M128-C198 VanDerWaalsContact SD-CB 3.58Å; M128-Y199 HydrophobicContact CG-CD1 4.11Å; M128-Y199 HydrophobicContact CG-CE1 4.31Å; M128-Y199 HydrophobicContact SD-CD1 3.74Å; M128-Y199 HydrophobicContact SD-CE1 3.83Å
129	N	87.6	Confident	86.3	Confident	77 Å²	77	54.5 Å²	54.5	41%	0.412	28%	0.283	S	S	.	.	H	α-helix	trans	-65.4	-43.1	176.7	-158.7	57.6	0	0	0	111.4	E86 G125 E126 D127 Q131 M132 N133	E86-N129 PolarHBondContact OE1-ND2 2.88Å; E86-N129 PolarHBondContact OE2-ND2 2.92Å; G125-N129 PolarHBondContact O-N 3.22Å; E126-N129 PolarHBondContact O-N 2.88Å; D127-N129 VanDerWaalsContact C-N 3.34Å; N129-Q131 PolarHBondContact O-N 2.81Å; N129-M132 PolarHBondContact O-N 3.48Å; N129-N133 PolarHBondContact O-N 3.14Å; N129-N133 PolarHBondContact O-ND2 2.81Å
130	T	87.2	Confident	86.5	Confident	6 Å²	6	51.5 Å²	51.5	4%	0.037	26%	0.264	C	S	.	.	H	α-helix	trans	-59.8	-47.7	175.1	-64.1	0	0	0	0	111.4	V85 W112 E126 D127 N133 L134	V85-T130 HydrophobicContact CB-CG2 3.67Å; V85-T130 HydrophobicContact CG2-CG2 3.53Å; W112-T130 HydrophobicContact CD2-CG2 4.42Å; W112-T130 HydrophobicContact CE3-CG2 4.46Å; W112-T130 HydrophobicContact CH2-CG2 3.87Å; W112-T130 HydrophobicContact CZ2-CG2 3.83Å; W112-T130 HydrophobicContact CZ3-CG2 4.19Å; E126-T130 WeakPolarHBondContact O-CB 3.1Å; E126-T130 PolarHBondContact O-N 3.16Å; E126-T130 PolarHBondContact O-OG1 2.89Å; D127-T130 PolarHBondContact O-N 2.95Å; T130-N133 PolarHBondContact O-N 3.39Å; T130-L134 HydrophobicContact CG2-CD1 4.22Å; T130-L134 PolarHBondContact O-N 3.32Å
131	Q	89.5	Confident	86.7	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-63.8	-41.3	177.7	175.2	62.4	8.6	0	0	111.7	W112 D127 M128 N129 N133 L134 E135 A141 A143 L161	W112-Q131 HydrophobicContact CZ2-CB 4.26Å; D127-Q131 VanDerWaalsContact O-CB 3.3Å; D127-Q131 WeakPolarHBondContact O-CB 3.41Å; D127-Q131 PolarHBondContact O-N 2.89Å; M128-Q131 PolarHBondContact O-N 2.81Å; N129-Q131 PolarHBondContact O-N 2.81Å; Q131-N133 VanDerWaalsContact C-N 3.29Å; Q131-N133 PolarHBondContact O-N 3.14Å; Q131-L134 PolarHBondContact O-N 3.27Å; Q131-E135 HydrophobicContact CG-CG 4.37Å; Q131-E135 PolarHBondContact NE2-OE1 3.33Å; Q131-E135 WeakPolarHBondContact O-CB 3.4Å; Q131-E135 WeakPolarHBondContact O-CG 3.18Å; Q131-E135 PolarHBondContact O-N 2.93Å; Q131-A141 PolarHBondContact NE2-O 3.3Å; Q131-A143 HydrophobicContact CG-CB 4.26Å; Q131-L161 HydrophobicContact CB-CD1 4.04Å; Q131-L161 HydrophobicContact CB-CG 4.22Å; Q131-L161 HydrophobicContact CG-CD1 3.76Å; Q131-L161 HydrophobicContact CG-CD2 4.22Å; Q131-L161 HydrophobicContact CG-CG 3.57Å
132	M	86.8	Confident	86.9	Confident	110 Å²	110	51.1 Å²	51.1	54%	0.542	26%	0.261	S	S	.	.	H	α-helix	trans	-58.9	-43.4	176.6	-177.4	177.6	178.1	0	0	110.9	M128 N129 E135 L136 L161	M128-M132 VanDerWaalsContact O-CB 3.32Å; M128-M132 WeakPolarHBondContact O-CB 3.1Å; M128-M132 PolarHBondContact O-N 2.91Å; N129-M132 PolarHBondContact O-N 3.48Å; M132-E135 PolarHBondContact O-N 3.5Å; M132-L136 WeakPolarHBondContact O-CG 3.5Å; M132-L136 PolarHBondContact O-N 3.31Å; M132-L161 HydrophobicContact CB-CD1 3.81Å
133	N	85.5	Confident	87.1	Confident	53 Å²	53	49 Å²	49	28%	0.283	25%	0.253	S	S	.	.	H	α-helix	trans	-64.9	-38.6	176.8	-74.5	-38.6	0	0	0	112.5	E86 N129 T130 Q131 L136 F137	E86-N133 PolarHBondContact OE1-ND2 3.5Å; N129-N133 PolarHBondContact O-N 3.14Å; N129-N133 PolarHBondContact O-ND2 2.81Å; T130-N133 PolarHBondContact O-N 3.39Å; Q131-N133 VanDerWaalsContact C-N 3.29Å; Q131-N133 PolarHBondContact O-N 3.14Å; N133-L136 WeakPolarHBondContact O-CB 3.43Å; N133-L136 PolarHBondContact O-N 3.36Å; N133-F137 WeakPolarHBondContact O-CD2 3.3Å; N133-F137 VanDerWaalsContact O-CE2 3.23Å; N133-F137 WeakPolarHBondContact O-CE2 3.27Å
134	L	85.6	Confident	87.5	Confident	34 Å²	34	49 Å²	49	18%	0.178	25%	0.253	C	S	.	.	H	α-helix	trans	-69.6	-36.6	175.5	-72.2	169.7	0	0	0	112.6	V85 W112 T130 Q131 L136 F137 C138 A141	V85-L134 HydrophobicContact CG1-CD2 4.4Å; W112-L134 HydrophobicContact CB-CD1 4.04Å; W112-L134 HydrophobicContact CD2-CD1 4.07Å; W112-L134 HydrophobicContact CG-CD1 3.51Å; T130-L134 HydrophobicContact CG2-CD1 4.22Å; T130-L134 PolarHBondContact O-N 3.32Å; Q131-L134 PolarHBondContact O-N 3.27Å; L134-L136 PolarHBondContact O-N 2.74Å; L134-F137 PolarHBondContact O-N 3.49Å; L134-C138 PolarHBondContact O-N 3.25Å; L134-A141 HydrophobicContact CB-CB 4.31Å
135	E	86.5	Confident	87.8	Confident	42 Å²	42	48.2 Å²	48.2	20%	0.196	25%	0.247	C	C	.	.	H	α-helix	trans	-65	-24.9	175.6	-76.3	-177.7	-176.2	0	0	112.9	Q131 M132 F137 C138 E139 A141 R160 L161	Q131-E135 HydrophobicContact CG-CG 4.37Å; Q131-E135 PolarHBondContact NE2-OE1 3.33Å; Q131-E135 WeakPolarHBondContact O-CB 3.4Å; Q131-E135 WeakPolarHBondContact O-CG 3.18Å; Q131-E135 PolarHBondContact O-N 2.93Å; M132-E135 PolarHBondContact O-N 3.5Å; E135-F137 VanDerWaalsContact C-N 3.26Å; E135-F137 PolarHBondContact O-N 3.07Å; E135-C138 WeakPolarHBondContact CA-O 3.38Å; E135-C138 CarbonylContact O-C 3.45Å; E135-E139 WeakPolarHBondContact O-CA 3.34Å; E135-E139 PolarHBondContact O-N 2.91Å; E135-A141 HydrophobicContact CG-CB 4.45Å; E135-R160 VanDerWaalsContact OE1-CG 3.29Å; E135-R160 WeakPolarHBondContact OE1-CG 3.12Å; E135-L161 PolarHBondContact OE1-N 3.39Å
136	L	83.5	Confident	88.2	Confident	127 Å²	127	46.1 Å²	46.1	67%	0.665	23%	0.226	S	C	*	.	H	α-helix	trans	-66.1	-28	171.2	-66.7	173.9	0	0	0	113	M132 N133 L134	M132-L136 WeakPolarHBondContact O-CG 3.5Å; M132-L136 PolarHBondContact O-N 3.31Å; N133-L136 WeakPolarHBondContact O-CB 3.43Å; N133-L136 PolarHBondContact O-N 3.36Å; L134-L136 PolarHBondContact O-N 2.74Å
137	F	78.2	Confident	88.4	Confident	103 Å²	103	39.5 Å²	39.5	45%	0.452	20%	0.195	S	C	.	.	H	α-helix	trans	-95.3	-38.5	-179.9	-56.9	-53.7	0	0	0	112.6	L10 N133 L134 E135	L10-F137 HydrophobicContact CB-CD1 4.46Å; L10-F137 HydrophobicContact CB-CE1 4.47Å; L10-F137 HydrophobicContact CD1-CD1 3.88Å; L10-F137 HydrophobicContact CD1-CE1 3.11Å; L10-F137 HydrophobicContact CD1-CZ 3.55Å; L10-F137 HydrophobicContact CD2-CD1 3.66Å; L10-F137 HydrophobicContact CD2-CD2 4.29Å; L10-F137 HydrophobicContact CD2-CE1 3.61Å; L10-F137 HydrophobicContact CD2-CE2 4.2Å; L10-F137 HydrophobicContact CD2-CG 4.03Å; L10-F137 HydrophobicContact CD2-CZ 3.86Å; L10-F137 HydrophobicContact CG-CD1 4.18Å; L10-F137 HydrophobicContact CG-CE1 3.86Å; L10-F137 HydrophobicContact CG-CZ 4.32Å; N133-F137 WeakPolarHBondContact O-CD2 3.3Å; N133-F137 VanDerWaalsContact O-CE2 3.23Å; N133-F137 WeakPolarHBondContact O-CE2 3.27Å; L134-F137 PolarHBondContact O-N 3.49Å; E135-F137 VanDerWaalsContact C-N 3.26Å; E135-F137 PolarHBondContact O-N 3.07Å
138	C	83.8	Confident	88.4	Confident	15 Å²	15	39.7 Å²	39.7	10%	0.101	20%	0.197	C	C	.	.			trans	-132.3	101.1	174.7	-179	0	0	0	0	107.7	F62 L134 E135 R140 A141	F62-C138 WeakPolarHBondContact CZ-SG 3.05Å; L134-C138 PolarHBondContact O-N 3.25Å; E135-C138 WeakPolarHBondContact CA-O 3.38Å; E135-C138 CarbonylContact O-C 3.45Å; C138-R140 PolarHBondContact O-N 3.39Å; C138-A141 HydrophobicContact CB-CB 4.13Å; C138-A141 VanDerWaalsContact O-CB 3.23Å; C138-A141 WeakPolarHBondContact O-CB 3.29Å; C138-A141 PolarHBondContact O-N 2.96Å
139	E	85.6	Confident	88.3	Confident	166 Å²	166	42.9 Å²	42.9	78%	0.776	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51	-27.8	-179	-174.2	-177.2	175.3	0	0	112.5	E135 R160	E135-E139 WeakPolarHBondContact O-CA 3.34Å; E135-E139 PolarHBondContact O-N 2.91Å; E139-R160 PolarHBondContact O-NH1 3.49Å
140	R	89.2	Confident	87.9	Confident	35 Å²	35	41.2 Å²	41.2	13%	0.132	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.6	15.1	-179.1	-66.4	-176.4	62.1	-150.1	0	114.6	F62 D64 K65 T67 C138 I142 R160	F62-R140 HydrophobicContact CD1-CB 4.11Å; F62-R140 HydrophobicContact CE1-CB 3.55Å; F62-R140 HydrophobicContact CZ-CB 4.09Å; D64-R140 PolarHBondContact O-NH1 3.36Å; D64-R140 PolarHBondContact O-NH2 3.31Å; K65-R140 VanDerWaalsContact C-NH2 3.33Å; K65-R140 PolarHBondContact O-NH2 3.44Å; T67-R140 PolarHBondContact O-NH2 2.75Å; C138-R140 PolarHBondContact O-N 3.39Å; R140-I142 PolarHBondContact O-N 3.09Å; R140-R160 PolarHBondContact O-NH1 3.48Å; R140-R160 VanDerWaalsContact O-NH1 3.11Å; R140-R160 PolarHBondContact O-NH2 2.97Å
141	A	91	Very high	87.1	Confident	4 Å²	4	46.9 Å²	46.9	3%	0.033	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-56.3	130.2	175.8	0	0	0	0	0	111.4	V110 Q131 L134 E135 C138 R160	V110-A141 WeakPolarHBondContact O-CA 3.18Å; Q131-A141 PolarHBondContact NE2-O 3.3Å; L134-A141 HydrophobicContact CB-CB 4.31Å; E135-A141 HydrophobicContact CG-CB 4.45Å; C138-A141 HydrophobicContact CB-CB 4.13Å; C138-A141 VanDerWaalsContact O-CB 3.23Å; C138-A141 WeakPolarHBondContact O-CB 3.29Å; C138-A141 PolarHBondContact O-N 2.96Å; A141-R160 PolarHBondContact O-NH1 3.07Å
142	I	93.3	Very high	86.2	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	143.5	175.4	60.9	173	0	0	0	111.1	V32 L58 V68 V70 V110 G111 W112 R140 V144 L202	V32-I142 HydrophobicContact CG1-CD1 3.71Å; V32-I142 HydrophobicContact CG2-CD1 4.01Å; V32-I142 HydrophobicContact CG2-CG2 4.27Å; L58-I142 HydrophobicContact CD1-CD1 3.92Å; L58-I142 HydrophobicContact CD1-CG1 3.92Å; V68-I142 HydrophobicContact CG1-CD1 4.16Å; V68-I142 HydrophobicContact CG2-CG2 4.32Å; V70-I142 HydrophobicContact CG2-CD1 3.74Å; V110-I142 PolarHBondContact O-N 3.21Å; V110-I142 VanDerWaalsContact O-N 3.07Å; G111-I142 CarbonylContact C-O 3.56Å; G111-I142 WeakPolarHBondContact CA-O 3.48Å; W112-I142 PolarHBondContact N-O 3.01Å; R140-I142 PolarHBondContact O-N 3.09Å; I142-V144 HydrophobicContact CD1-CG2 4.11Å; I142-V144 HydrophobicContact CG1-CG2 4.46Å; I142-L202 HydrophobicContact CB-CD1 4.46Å; I142-L202 HydrophobicContact CG2-CD1 3.66Å
143	A	94.1	Very high	85.6	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	116	169.2	0	0	0	0	0	109.4	W112 L123 Q131 A158 F159	W112-A143 HydrophobicContact CZ2-CB 4.19Å; L123-A143 HydrophobicContact CD1-CB 4.48Å; L123-A143 HydrophobicContact CD2-CB 4.12Å; Q131-A143 HydrophobicContact CG-CB 4.26Å; A143-A158 CarbonylContact O-C 3.45Å; A143-A158 WeakPolarHBondContact O-CA 3.48Å; A143-F159 PolarHBondContact N-O 2.93Å; A143-F159 PolarHBondContact O-N 3.11Å
144	V	95.1	Very high	85.3	Confident	1 Å²	1	50.5 Å²	50.5	1%	0.006	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	125	177	174.9	0	0	0	0	110	M34 L58 W112 Y113 H114 I142 V146 I156 E157 A158	M34-V144 HydrophobicContact CE-CG1 4.48Å; M34-V144 HydrophobicContact CE-CG2 4.36Å; L58-V144 HydrophobicContact CD1-CB 4.03Å; L58-V144 HydrophobicContact CD1-CG2 3.5Å; W112-V144 PolarHBondContact O-N 3.19Å; Y113-V144 CarbonylContact C-O 3.46Å; Y113-V144 WeakPolarHBondContact CA-O 3.17Å; Y113-V144 WeakPolarHBondContact CB-O 3.15Å; H114-V144 PolarHBondContact N-O 2.79Å; I142-V144 HydrophobicContact CD1-CG2 4.11Å; I142-V144 HydrophobicContact CG1-CG2 4.46Å; V144-V146 HydrophobicContact CG1-CG2 3.96Å; V144-I156 HydrophobicContact CG1-CG2 3.47Å; V144-I156 VanDerWaalsContact CG1-CG2 3.47Å; V144-E157 WeakPolarHBondContact CA-O 3.23Å; V144-A158 HydrophobicContact CG2-CB 4.01Å
145	V	93.8	Very high	85.4	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	133.3	174	-170.7	0	0	0	0	108.8	H114 H116 C121 L123 I156 E157 F159	H114-V145 WeakPolarHBondContact O-CA 3.29Å; H116-V145 HydrophobicContact CB-CG1 3.99Å; C121-V145 HydrophobicContact CB-CB 3.87Å; C121-V145 HydrophobicContact CB-CG1 4Å; C121-V145 PolarHBondContact SG-O 3.42Å; L123-V145 HydrophobicContact CD2-CG2 3.75Å; V145-I156 WeakPolarHBondContact O-CA 3.3Å; V145-E157 PolarHBondContact N-O 3.33Å; V145-E157 PolarHBondContact O-N 2.96Å; V145-F159 HydrophobicContact CB-CD2 4.44Å; V145-F159 HydrophobicContact CB-CE2 3.93Å; V145-F159 HydrophobicContact CG2-CD2 3.65Å; V145-F159 HydrophobicContact CG2-CE2 3.52Å
146	V	93.1	Very high	85.6	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	127.4	-179.8	178.5	0	0	0	0	111.3	I42 L43 A46 H114 S115 H116 V144 M155 I156	I42-V146 HydrophobicContact CG2-CB 4.07Å; I42-V146 HydrophobicContact CG2-CG1 4.19Å; I42-V146 HydrophobicContact CG2-CG2 3.31Å; L43-V146 HydrophobicContact CD2-CG1 3.8Å; A46-V146 HydrophobicContact CB-CG1 4.08Å; H114-V146 PolarHBondContact O-N 3.35Å; S115-V146 CarbonylContact C-O 3.6Å; S115-V146 WeakPolarHBondContact CA-O 3.34Å; S115-V146 WeakPolarHBondContact CB-O 3.38Å; H116-V146 PolarHBondContact N-O 2.84Å; V144-V146 HydrophobicContact CG1-CG2 3.96Å; V146-M155 CarbonylContact C-O 3.59Å; V146-M155 WeakPolarHBondContact CA-O 3.44Å; V146-I156 HydrophobicContact CB-CG1 4.28Å; V146-I156 HydrophobicContact CG1-CD1 4.32Å; V146-I156 HydrophobicContact CG1-CG1 3.99Å; V146-I156 HydrophobicContact CG2-CB 4.33Å; V146-I156 HydrophobicContact CG2-CD1 3.81Å; V146-I156 HydrophobicContact CG2-CG1 3.66Å; V146-I156 HydrophobicContact CG2-CG2 4.11Å
147	D	91.6	Very high	85.9	Confident	2 Å²	2	45 Å²	45	1%	0.011	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	104.7	167.2	-172.3	-23.4	0	0	0	108.8	H116 G118 L119 G120 F149 Q150 G154 M155	H116-D147 WeakPolarHBondContact O-CB 2.96Å; G118-D147 VanDerWaalsContact CA-OD2 3.27Å; G118-D147 WeakPolarHBondContact CA-OD2 3.42Å; G118-D147 VanDerWaalsContact N-CG 3.26Å; G118-D147 PolarHBondContact N-OD1 2.92Å; G118-D147 PolarHBondContact N-OD2 3.04Å; L119-D147 PolarHBondContact N-OD2 3.33Å; G120-D147 WeakPolarHBondContact CA-OD2 3.36Å; G120-D147 PolarHBondContact N-OD2 3.4Å; D147-F149 PolarHBondContact O-N 3.22Å; D147-F149 PolarHBondContact OD1-N 3.04Å; D147-Q150 HydrophobicContact CB-CB 3.94Å; D147-Q150 PolarHBondContact OD1-N 3.32Å; D147-Q150 VanDerWaalsContact OD1-N 3.14Å; D147-G154 CarbonylContact O-C 3.5Å; D147-G154 WeakPolarHBondContact O-CA 3.31Å; D147-M155 PolarHBondContact N-O 3.42Å; D147-M155 PolarHBondContact O-N 3.43Å
148	P	88.3	Confident	86.6	Confident	17 Å²	17	40.1 Å²	40.1	11%	0.11	22%	0.222	C	C	.	.	S	Bend	trans	-71.2	-12.5	-178	30	-36	0	0	0	113.7	A46 K47 P117	A46-P148 HydrophobicContact CB-CB 4.12Å; A46-P148 HydrophobicContact CB-CG 3.94Å; K47-P148 HydrophobicContact CB-CB 4.32Å; P117-P148 HydrophobicContact CB-CG 4.39Å
149	F	85.9	Confident	87	Confident	109 Å²	109	39.4 Å²	39.4	48%	0.478	22%	0.217	S	C	.	.	S	Bend	trans	-104.8	-21.9	-175	-61	-64	0	0	0	113.3	A50 P117 D147 N151	A50-F149 HydrophobicContact CB-CE2 3.5Å; A50-F149 VanDerWaalsContact CB-CE2 3.5Å; A50-F149 HydrophobicContact CB-CZ 3.47Å; A50-F149 VanDerWaalsContact CB-CZ 3.47Å; P117-F149 HydrophobicContact CB-CD2 3.67Å; P117-F149 HydrophobicContact CB-CE2 3.59Å; D147-F149 PolarHBondContact O-N 3.22Å; D147-F149 PolarHBondContact OD1-N 3.04Å; F149-N151 PolarHBondContact O-N 3.06Å
150	Q	78.1	Confident	87.2	Confident	41 Å²	41	32.2 Å²	32.2	19%	0.192	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	133.9	179.6	-166.2	161.8	24.8	0	0	111.8	D147 G152 G154 M155	D147-Q150 HydrophobicContact CB-CB 3.94Å; D147-Q150 PolarHBondContact OD1-N 3.32Å; D147-Q150 VanDerWaalsContact OD1-N 3.14Å; Q150-G152 PolarHBondContact O-N 2.9Å; Q150-G152 VanDerWaalsContact O-N 3.09Å; Q150-G154 WeakPolarHBondContact O-CA 3.35Å; Q150-G154 PolarHBondContact O-N 3.2Å; Q150-M155 HydrophobicContact CB-CB 4.15Å; Q150-M155 HydrophobicContact CG-CB 4.49Å; Q150-M155 HydrophobicContact CG-SD 4.28Å; Q150-M155 PolarHBondContact OE1-SD 2.94Å
151	N	69.9	Low	87.1	Confident	126 Å²	126	31.5 Å²	31.5	67%	0.674	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	60	14.4	177.4	-56.3	-28.7	0	0	0	116.1	F149 N153	F149-N151 PolarHBondContact O-N 3.06Å; N151-N153 PolarHBondContact O-N 3.31Å
152	G	71	Confident	86.8	Confident	70 Å²	70	32 Å²	32	72%	0.722	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.3	-20.5	177.4	0	0	0	0	0	115.8	Q150	Q150-G152 PolarHBondContact O-N 2.9Å; Q150-G152 VanDerWaalsContact O-N 3.09Å
153	N	73.9	Confident	86	Confident	149 Å²	149	35.3 Å²	35.3	80%	0.797	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.3	-1.7	178.1	-67.8	-21.7	0	0	0	113.5	N151	N151-N153 PolarHBondContact O-N 3.31Å
154	G	79.4	Confident	85	Confident	19 Å²	19	39.1 Å²	39.1	20%	0.196	23%	0.226	C	C	.	.			trans	77.4	151.5	-168.8	0	0	0	0	0	111.9	D147 Q150	D147-G154 CarbonylContact O-C 3.5Å; D147-G154 WeakPolarHBondContact O-CA 3.31Å; Q150-G154 WeakPolarHBondContact O-CA 3.35Å; Q150-G154 PolarHBondContact O-N 3.2Å
155	M	87.3	Confident	84	Confident	20 Å²	20	42.9 Å²	42.9	10%	0.099	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	140.6	177	-169.2	171.9	88.3	0	0	109.8	C121 V146 D147 Q150 E157 L186	C121-M155 HydrophobicContact CB-CE 3.51Å; C121-M155 WeakPolarHBondContact SG-CE 3.32Å; V146-M155 CarbonylContact C-O 3.59Å; V146-M155 WeakPolarHBondContact CA-O 3.44Å; D147-M155 PolarHBondContact N-O 3.42Å; D147-M155 PolarHBondContact O-N 3.43Å; Q150-M155 HydrophobicContact CB-CB 4.15Å; Q150-M155 HydrophobicContact CG-CB 4.49Å; Q150-M155 HydrophobicContact CG-SD 4.28Å; Q150-M155 PolarHBondContact OE1-SD 2.94Å; M155-E157 HydrophobicContact CE-CG 4.46Å; M155-L186 HydrophobicContact CE-CD1 3.42Å; M155-L186 VanDerWaalsContact CE-CD1 3.42Å; M155-L186 HydrophobicContact SD-CD1 3.31Å; M155-L186 WeakPolarHBondContact SD-CD1 3.49Å; M155-L186 HydrophobicContact SD-CG 4.49Å
156	I	90.9	Very high	82.8	Confident	16 Å²	16	45.3 Å²	45.3	8%	0.082	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	127.1	177.4	-59.8	-167	0	0	0	108.1	M34 L39 L43 V144 V145 V146	M34-I156 HydrophobicContact SD-CD1 4.45Å; M34-I156 HydrophobicContact SD-CG2 4.42Å; L39-I156 HydrophobicContact CD1-CD1 3.19Å; L39-I156 HydrophobicContact CD1-CG1 4.35Å; L43-I156 HydrophobicContact CD2-CD1 4.16Å; L43-I156 HydrophobicContact CD2-CG1 4.36Å; L43-I156 HydrophobicContact CG-CD1 4.23Å; V144-I156 HydrophobicContact CG1-CG2 3.47Å; V144-I156 VanDerWaalsContact CG1-CG2 3.47Å; V145-I156 WeakPolarHBondContact O-CA 3.3Å; V146-I156 HydrophobicContact CB-CG1 4.28Å; V146-I156 HydrophobicContact CG1-CD1 4.32Å; V146-I156 HydrophobicContact CG1-CG1 3.99Å; V146-I156 HydrophobicContact CG2-CB 4.33Å; V146-I156 HydrophobicContact CG2-CD1 3.81Å; V146-I156 HydrophobicContact CG2-CG1 3.66Å; V146-I156 HydrophobicContact CG2-CG2 4.11Å
157	E	91.3	Very high	81.6	Confident	52 Å²	52	49.6 Å²	49.6	24%	0.243	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	144.4	171	-62.6	-170.1	150.3	0	0	109.2	C121 V144 V145 M155 F159	C121-E157 HydrophobicContact CB-CB 3.75Å; C121-E157 HydrophobicContact CB-CG 3.88Å; V144-E157 WeakPolarHBondContact CA-O 3.23Å; V145-E157 PolarHBondContact N-O 3.33Å; V145-E157 PolarHBondContact O-N 2.96Å; M155-E157 HydrophobicContact CE-CG 4.46Å; E157-F159 HydrophobicContact CB-CE1 4.27Å; E157-F159 HydrophobicContact CB-CE2 3.71Å; E157-F159 HydrophobicContact CB-CZ 3.48Å; E157-F159 VanDerWaalsContact CB-CZ 3.48Å; E157-F159 HydrophobicContact CG-CZ 4.45Å; E157-F159 WeakPolarHBondContact OE2-CZ 3.11Å
158	A	92.7	Very high	80.5	Confident	1 Å²	1	56.2 Å²	56.2	1%	0.008	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	141.2	177	0	0	0	0	0	109.5	V32 A143 V144 A201 L202 V204	V32-A158 HydrophobicContact CG2-CB 4.08Å; A143-A158 CarbonylContact O-C 3.45Å; A143-A158 WeakPolarHBondContact O-CA 3.48Å; V144-A158 HydrophobicContact CG2-CB 4.01Å; A158-A201 CarbonylContact O-C 3.59Å; A158-A201 WeakPolarHBondContact O-CA 3.27Å; A158-L202 HydrophobicContact CB-CB 4.12Å; A158-L202 PolarHBondContact O-N 3.12Å; A158-V204 HydrophobicContact CB-CG2 3.64Å
159	F	91.7	Very high	79.5	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	156.2	-175.2	-57.3	-74.7	0	0	0	111.5	C121 L123 A143 V145 E157 Y190 Y199 Y200 A201	C121-F159 HydrophobicContact CB-CE2 4.13Å; C121-F159 HydrophobicContact CB-CZ 4.16Å; L123-F159 HydrophobicContact CD1-CB 3.86Å; L123-F159 HydrophobicContact CD1-CG 4.42Å; L123-F159 HydrophobicContact CD2-CD2 4.32Å; L123-F159 HydrophobicContact CG-CB 4.3Å; L123-F159 HydrophobicContact CG-CD2 4.27Å; L123-F159 HydrophobicContact CG-CG 4.36Å; A143-F159 PolarHBondContact N-O 2.93Å; A143-F159 PolarHBondContact O-N 3.11Å; V145-F159 HydrophobicContact CB-CD2 4.44Å; V145-F159 HydrophobicContact CB-CE2 3.93Å; V145-F159 HydrophobicContact CG2-CD2 3.65Å; V145-F159 HydrophobicContact CG2-CE2 3.52Å; E157-F159 HydrophobicContact CB-CE1 4.27Å; E157-F159 HydrophobicContact CB-CE2 3.71Å; E157-F159 HydrophobicContact CB-CZ 3.48Å; E157-F159 VanDerWaalsContact CB-CZ 3.48Å; E157-F159 HydrophobicContact CG-CZ 4.45Å; E157-F159 WeakPolarHBondContact OE2-CZ 3.11Å; F159-Y190 WeakPolarHBondContact CE1-OH 3.24Å; F159-Y190 WeakPolarHBondContact CZ-OH 3.5Å; F159-Y199 HydrophobicContact CD1-CD2 4.03Å; F159-Y199 HydrophobicContact CD1-CE2 4.32Å; F159-Y200 VanDerWaalsContact CA-O 3.31Å; F159-Y200 WeakPolarHBondContact CA-O 3.45Å; F159-A201 HydrophobicContact CD1-CB 4.02Å; F159-A201 HydrophobicContact CE1-CB 3.84Å
160	R	89.4	Confident	78.2	Confident	15 Å²	15	60.4 Å²	60.4	6%	0.057	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	146.9	167.4	-171.8	179.9	-56	-68.2	-2.5	109.5	E30 E135 E139 R140 A141 Y199 Y200 L202	E30-R160 IonicContact OE1-CZ 2.71Å; E30-R160 IonicContact OE1-NE 2.75Å; E30-R160 PolarHBondContact OE1-NE 2.91Å; E30-R160 IonicContact OE1-NH2 2.72Å; E30-R160 PolarHBondContact OE1-NH2 2.76Å; E30-R160 IonicContact OE2-NE 3.76Å; E135-R160 VanDerWaalsContact OE1-CG 3.29Å; E135-R160 WeakPolarHBondContact OE1-CG 3.12Å; E139-R160 PolarHBondContact O-NH1 3.49Å; R140-R160 PolarHBondContact O-NH1 3.48Å; R140-R160 VanDerWaalsContact O-NH1 3.11Å; R140-R160 PolarHBondContact O-NH2 2.97Å; A141-R160 PolarHBondContact O-NH1 3.07Å; R160-Y199 CarbonylContact O-C 3.54Å; R160-Y199 WeakPolarHBondContact O-CA 3.29Å; R160-Y199 WeakPolarHBondContact O-CB 3.42Å; R160-Y200 HydrophobicContact CB-CE1 3.88Å; R160-Y200 HydrophobicContact CB-CE2 4.3Å; R160-Y200 VanDerWaalsContact CD-OH 3.29Å; R160-Y200 WeakPolarHBondContact CD-OH 3.32Å; R160-Y200 HydrophobicContact CG-CE1 4.22Å; R160-Y200 PolarHBondContact N-O 3.01Å; R160-Y200 VanDerWaalsContact N-O 3.09Å; R160-Y200 WeakPolarHBondContact O-CD1 3.46Å; R160-Y200 PolarHBondContact O-N 3.14Å; R160-L202 HydrophobicContact CB-CD1 4.35Å
161	L	88.1	Confident	77.3	Confident	20 Å²	20	62 Å²	62	11%	0.105	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	151	176	-59.6	179.5	0	0	0	111.5	L123 M128 Q131 M132 E135 C198 Y199	L123-L161 HydrophobicContact CD1-CD2 4.16Å; M128-L161 HydrophobicContact CB-CD2 4.18Å; M128-L161 HydrophobicContact CG-CD2 3.9Å; M128-L161 WeakPolarHBondContact O-CD1 3.24Å; Q131-L161 HydrophobicContact CB-CD1 4.04Å; Q131-L161 HydrophobicContact CB-CG 4.22Å; Q131-L161 HydrophobicContact CG-CD1 3.76Å; Q131-L161 HydrophobicContact CG-CD2 4.22Å; Q131-L161 HydrophobicContact CG-CG 3.57Å; M132-L161 HydrophobicContact CB-CD1 3.81Å; E135-L161 PolarHBondContact OE1-N 3.39Å; L161-C198 WeakPolarHBondContact CA-O 3.08Å; L161-Y199 HydrophobicContact CD2-CD1 4.5Å
162	I	83.8	Confident	76.5	Confident	13 Å²	13	58.5 Å²	58.5	7%	0.067	35%	0.353	C	S	.	.			trans	-89.4	125.8	166.2	-61.1	171.5	0	0	0	106.8	P164 E167 C198 Y200	I162-P164 VanDerWaalsContact O-CD 3.27Å; I162-P164 WeakPolarHBondContact O-CD 3.37Å; I162-E167 HydrophobicContact CG2-CB 4.45Å; I162-C198 PolarHBondContact N-O 3.27Å; I162-Y200 HydrophobicContact CD1-CD1 4.47Å; I162-Y200 HydrophobicContact CG1-CD1 3.74Å; I162-Y200 HydrophobicContact CG1-CE1 4.42Å
163	N	77.4	Confident	75.7	Confident	70 Å²	70	57.5 Å²	57.5	37%	0.374	33%	0.33	S	S	.	.			trans	-70.5	112.9	173.9	-173.8	-32.2	0	0	0	109	V165 L166 E167	N163-V165 PolarHBondContact O-N 3.26Å; N163-V165 VanDerWaalsContact O-N 3.16Å; N163-V165 VanDerWaalsContact OD1-CB 3.29Å; N163-V165 WeakPolarHBondContact OD1-CB 3.45Å; N163-V165 PolarHBondContact OD1-N 2.61Å; N163-L166 HydrophobicContact CB-CB 4.37Å; N163-L166 HydrophobicContact CB-CD1 4.08Å; N163-L166 HydrophobicContact CB-CG 4.35Å; N163-L166 PolarHBondContact O-N 2.97Å; N163-L166 VanDerWaalsContact O-N 3.09Å; N163-E167 PolarHBondContact O-N 2.59Å
164	P	72	Confident	74.7	Confident	80 Å²	80	54.2 Å²	54.2	52%	0.519	31%	0.306	S	S	.	.	H	α-helix	trans	-64.5	-25.9	-174.9	26.4	-34.6	0	0	0	112.2	I162 E167 I168	I162-P164 VanDerWaalsContact O-CD 3.27Å; I162-P164 WeakPolarHBondContact O-CD 3.37Å; P164-E167 PolarHBondContact O-N 3.38Å; P164-I168 WeakPolarHBondContact O-CD1 3.49Å; P164-I168 VanDerWaalsContact O-CG1 3.24Å; P164-I168 WeakPolarHBondContact O-CG1 3.09Å; P164-I168 PolarHBondContact O-N 3.04Å; P164-I168 VanDerWaalsContact O-N 3.09Å
165	V	73.4	Confident	73.3	Confident	81 Å²	81	59.4 Å²	59.4	49%	0.491	33%	0.326	S	S	.	.	H	α-helix	trans	-65.7	-43.2	177.3	-176.9	0	0	0	0	110.1	N163 I168 F169	N163-V165 PolarHBondContact O-N 3.26Å; N163-V165 VanDerWaalsContact O-N 3.16Å; N163-V165 VanDerWaalsContact OD1-CB 3.29Å; N163-V165 WeakPolarHBondContact OD1-CB 3.45Å; N163-V165 PolarHBondContact OD1-N 2.61Å; V165-I168 PolarHBondContact O-N 2.87Å; V165-F169 HydrophobicContact CG1-CD2 3.98Å; V165-F169 HydrophobicContact CG1-CE2 3.71Å; V165-F169 WeakPolarHBondContact O-CD2 3.3Å; V165-F169 PolarHBondContact O-N 3.11Å
166	L	70	Confident	71	Confident	51 Å²	51	61.7 Å²	61.7	27%	0.267	34%	0.341	S	S	.	.	H	α-helix	trans	-71.1	-34.5	-179.7	-69.8	171.5	0	0	0	112	N163 F169 G170 I171 Q173	N163-L166 HydrophobicContact CB-CB 4.37Å; N163-L166 HydrophobicContact CB-CD1 4.08Å; N163-L166 HydrophobicContact CB-CG 4.35Å; N163-L166 PolarHBondContact O-N 2.97Å; N163-L166 VanDerWaalsContact O-N 3.09Å; L166-F169 PolarHBondContact O-N 3.46Å; L166-G170 PolarHBondContact O-N 3.17Å; L166-I171 HydrophobicContact CD2-CB 4.28Å; L166-I171 HydrophobicContact CD2-CD1 4.04Å; L166-I171 HydrophobicContact CD2-CG2 4.39Å; L166-I171 PolarHBondContact O-N 3.26Å; L166-Q173 HydrophobicContact CB-CG 3.86Å; L166-Q173 HydrophobicContact CD1-CG 3.76Å; L166-Q173 HydrophobicContact CG-CG 4.46Å
167	E	67.2	Low	68.8	Low	89 Å²	89	62.3 Å²	62.3	42%	0.416	35%	0.345	S	S	.	.	H	α-helix	trans	-61.6	-43.5	172.7	-163.8	-173.4	-178.4	0	0	111.5	I162 N163 P164 F169 G170	I162-E167 HydrophobicContact CG2-CB 4.45Å; N163-E167 PolarHBondContact O-N 2.59Å; P164-E167 PolarHBondContact O-N 3.38Å; E167-F169 VanDerWaalsContact C-N 3.28Å; E167-F169 PolarHBondContact O-N 3.1Å; E167-G170 PolarHBondContact O-N 3.01Å
168	I	68.2	Low	66.3	Low	141 Å²	141	62.4 Å²	62.4	72%	0.723	35%	0.352	S	S	*	.	H	α-helix	trans	-60.4	-38.1	176.7	-69.4	163.5	0	0	0	111.6	P164 V165 G170	P164-I168 WeakPolarHBondContact O-CD1 3.49Å; P164-I168 VanDerWaalsContact O-CG1 3.24Å; P164-I168 WeakPolarHBondContact O-CG1 3.09Å; P164-I168 PolarHBondContact O-N 3.04Å; P164-I168 VanDerWaalsContact O-N 3.09Å; V165-I168 PolarHBondContact O-N 2.87Å; I168-G170 PolarHBondContact O-N 3.39Å
169	F	68.6	Low	63.9	Low	148 Å²	148	64.4 Å²	64.4	65%	0.649	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	2.2	176.7	-72.3	-66.3	0	0	0	113.7	V165 L166 E167 I171	V165-F169 HydrophobicContact CG1-CD2 3.98Å; V165-F169 HydrophobicContact CG1-CE2 3.71Å; V165-F169 WeakPolarHBondContact O-CD2 3.3Å; V165-F169 PolarHBondContact O-N 3.11Å; L166-F169 PolarHBondContact O-N 3.46Å; E167-F169 VanDerWaalsContact C-N 3.28Å; E167-F169 PolarHBondContact O-N 3.1Å; F169-I171 HydrophobicContact CB-CD1 4.14Å; F169-I171 HydrophobicContact CB-CG1 4.09Å; F169-I171 PolarHBondContact O-N 3.1Å; F169-I171 VanDerWaalsContact O-N 3.15Å
170	G	58.7	Low	61.4	Low	66 Å²	66	69.3 Å²	69.3	68%	0.68	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	64	15.3	-177.2	0	0	0	0	0	113.2	L166 E167 I168 G172	L166-G170 PolarHBondContact O-N 3.17Å; E167-G170 PolarHBondContact O-N 3.01Å; I168-G170 PolarHBondContact O-N 3.39Å; G170-G172 VanDerWaalsContact C-N 3.35Å; G170-G172 PolarHBondContact O-N 3.5Å; G170-G172 VanDerWaalsContact O-N 3.1Å
171	I	57.7	Low	58.6	Low	74 Å²	74	74.6 Å²	74.6	38%	0.379	44%	0.437	S	S	.	.			trans	-81.9	90.8	173.1	-58.1	174.9	0	0	0	105.3	L166 F169 Q173	L166-I171 HydrophobicContact CD2-CB 4.28Å; L166-I171 HydrophobicContact CD2-CD1 4.04Å; L166-I171 HydrophobicContact CD2-CG2 4.39Å; L166-I171 PolarHBondContact O-N 3.26Å; F169-I171 HydrophobicContact CB-CD1 4.14Å; F169-I171 HydrophobicContact CB-CG1 4.09Å; F169-I171 PolarHBondContact O-N 3.1Å; F169-I171 VanDerWaalsContact O-N 3.15Å; I171-Q173 PolarHBondContact O-N 2.8Å
172	G	52.8	Low	56	Low	53 Å²	53	79 Å²	79	55%	0.546	46%	0.46	S	S	.	.			trans	-53.7	111.9	178.8	0	0	0	0	0	110.4	G170 R174	G170-G172 VanDerWaalsContact C-N 3.35Å; G170-G172 PolarHBondContact O-N 3.5Å; G170-G172 VanDerWaalsContact O-N 3.1Å; G172-R174 PolarHBondContact O-N 3.04Å
173	Q	54.4	Low	53.6	Low	49 Å²	49	83.6 Å²	83.6	23%	0.229	49%	0.491	C	S	.	.			trans	-80.2	110.4	175.3	-81.2	-160.8	-44.4	0	0	109.6	L166 I171 E175	L166-Q173 HydrophobicContact CB-CG 3.86Å; L166-Q173 HydrophobicContact CD1-CG 3.76Å; L166-Q173 HydrophobicContact CG-CG 4.46Å; I171-Q173 PolarHBondContact O-N 2.8Å; Q173-E175 WeakPolarHBondContact O-CG 3.34Å; Q173-E175 PolarHBondContact O-N 3.14Å
174	R	54.2	Low	51.7	Low	80 Å²	80	88.8 Å²	88.8	30%	0.302	51%	0.51	S	S	.	.	S	Bend	trans	39.2	33.7	158.4	-54.8	-169.5	179	-162.3	-3.2	116.7	T28 E30 K65 G172 T176	T28-R174 WeakPolarHBondContact OG1-CD 3.36Å; T28-R174 WeakPolarHBondContact OG1-CG 3.4Å; E30-R174 IonicContact OE2-CZ 2.95Å; E30-R174 IonicContact OE2-NH1 2.85Å; E30-R174 PolarHBondContact OE2-NH1 2.98Å; K65-R174 PolarHBondContact O-NH1 2.72Å; G172-R174 PolarHBondContact O-N 3.04Å; R174-T176 PolarHBondContact O-N 2.78Å
175	E	48.5	Very low	49.9	Very low	129 Å²	129	93.9 Å²	93.9	60%	0.603	53%	0.529	S	S	*	.			trans	-76.7	-11.3	-175	-64.7	-163.2	147.5	0	0	112.8	Q173 T177	Q173-E175 WeakPolarHBondContact O-CG 3.34Å; Q173-E175 PolarHBondContact O-N 3.14Å; E175-T177 PolarHBondContact O-N 3.3Å
176	T	40.8	Very low	48.2	Very low	68 Å²	68	92.4 Å²	92.4	42%	0.417	52%	0.518	S	S	.	.			trans	-83	64.3	169.7	51.1	0	0	0	0	110.3	D27 R174	D27-T176 VanDerWaalsContact OD1-CB 3.27Å; D27-T176 WeakPolarHBondContact OD1-CB 3.14Å; D27-T176 PolarHBondContact OD1-OG1 2.86Å; R174-T176 PolarHBondContact O-N 2.78Å
177	T	44.4	Very low	46.7	Very low	28 Å²	28	92 Å²	92	17%	0.172	52%	0.522	C	S	.	.			trans	-63.8	144.9	159.1	63.5	0	0	0	0	107.6	E175 N179 Y200 A201	E175-T177 PolarHBondContact O-N 3.3Å; T177-N179 PolarHBondContact O-N 2.83Å; T177-Y200 HydrophobicContact CG2-CD2 3.79Å; T177-Y200 HydrophobicContact CG2-CE2 4.1Å; T177-A201 WeakPolarHBondContact CG2-O 3.46Å
178	S	38.1	Very low	45.2	Very low	55 Å²	55	92.1 Å²	92.1	39%	0.385	53%	0.533	S	S	.	.	S	Bend	trans	-62.3	12.1	-177.8	45.3	0	0	0	0	114.4	A180	S178-A180 PolarHBondContact O-N 3.43Å; S178-A180 VanDerWaalsContact O-N 3.13Å
179	N	41.5	Very low	44	Very low	43 Å²	43	91.9 Å²	91.9	23%	0.23	53%	0.528	C	S	.	.	G	3₁₀ helix	trans	-79.8	24.8	-179.7	-66.7	-16.4	0	0	0	113.6	T177 T181 L182 H203	T177-N179 PolarHBondContact O-N 2.83Å; N179-T181 PolarHBondContact O-N 3.38Å; N179-L182 HydrophobicContact CB-CB 4.47Å; N179-L182 PolarHBondContact O-N 3.49Å; N179-H203 PolarHBondContact OD1-CD2 3.08Å; N179-H203 VanDerWaalsContact OD1-CD2 3.25Å
180	A	39.7	Very low	42.6	Very low	103 Å²	103	87.8 Å²	87.8	85%	0.851	51%	0.509	S	S	*	.	G	3₁₀ helix	trans	-55.6	-16.7	167.7	0	0	0	0	0	112.5	S178	S178-A180 PolarHBondContact O-N 3.43Å; S178-A180 VanDerWaalsContact O-N 3.13Å
181	T	31.7	Very low	41.7	Very low	125 Å²	125	93.2 Å²	93.2	77%	0.767	51%	0.514	S	S	*	.	G	3₁₀ helix	trans	-119.6	4.7	-176.4	36.9	0	0	0	0	116	N179 P183	N179-T181 PolarHBondContact O-N 3.38Å; T181-P183 WeakPolarHBondContact O-CD 3.35Å
182	L	33.6	Very low	40.8	Very low	112 Å²	112	96.6 Å²	96.6	59%	0.586	53%	0.532	S	S	*	.			trans	-94.3	97.4	168.9	-104.1	121	0	0	0	109	N179 K184	N179-L182 HydrophobicContact CB-CB 4.47Å; N179-L182 PolarHBondContact O-N 3.49Å; L182-K184 PolarHBondContact O-N 2.95Å; L182-K184 VanDerWaalsContact O-N 3.12Å
183	P	33.2	Very low	40.4	Very low	110 Å²	110	99.4 Å²	99.4	71%	0.714	53%	0.526	S	S	*	.			trans	-58.2	124.7	172.4	24.7	-31.4	0	0	0	107.4	T181 M185	T181-P183 WeakPolarHBondContact O-CD 3.35Å; P183-M185 PolarHBondContact O-N 3.45Å
184	K	37.2	Very low	39.9	Very low	180 Å²	180	106.6 Å²	106.6	78%	0.783	56%	0.557	S	S	*	*			trans	-46.7	85.7	170.6	-66.8	171	171.1	171.4	0	110.3	L182 L186 A187	L182-K184 PolarHBondContact O-N 2.95Å; L182-K184 VanDerWaalsContact O-N 3.12Å; K184-L186 PolarHBondContact O-N 2.95Å; K184-A187 HydrophobicContact CB-CB 3.93Å; K184-A187 HydrophobicContact CD-CB 4.37Å
185	M	34.4	Very low	39.7	Very low	187 Å²	187	104.2 Å²	104.2	92%	0.921	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	11.8	175.5	-147.7	-177.6	166.8	0	0	111.7	P183	P183-M185 PolarHBondContact O-N 3.45Å
186	L	36.8	Very low	40	Very low	49 Å²	49	102 Å²	102	26%	0.257	55%	0.548	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136.3	22.7	178.7	-64.4	165.7	0	0	0	113.4	M155 K184 S188	M155-L186 HydrophobicContact CE-CD1 3.42Å; M155-L186 VanDerWaalsContact CE-CD1 3.42Å; M155-L186 HydrophobicContact SD-CD1 3.31Å; M155-L186 WeakPolarHBondContact SD-CD1 3.49Å; M155-L186 HydrophobicContact SD-CG 4.49Å; K184-L186 PolarHBondContact O-N 2.95Å; L186-S188 PolarHBondContact O-N 3.04Å; L186-S188 VanDerWaalsContact O-N 3.1Å
187	A	38.2	Very low	41.3	Very low	42 Å²	42	107.3 Å²	107.3	35%	0.347	56%	0.56	S	S	.	*	H	α-helix	trans	-61.9	-17.4	-177.5	0	0	0	0	0	114.7	K184 F191	K184-A187 HydrophobicContact CB-CB 3.93Å; K184-A187 HydrophobicContact CD-CB 4.37Å; A187-F191 WeakPolarHBondContact O-CB 3.38Å; A187-F191 PolarHBondContact O-N 3.29Å; A187-F191 VanDerWaalsContact O-N 3.11Å
188	S	37.5	Very low	43	Very low	92 Å²	92	108.6 Å²	108.6	64%	0.643	57%	0.57	S	S	*	*	H	α-helix	trans	-71.2	-40.9	-175.2	55.4	0	0	0	0	113.1	L186	L186-S188 PolarHBondContact O-N 3.04Å; L186-S188 VanDerWaalsContact O-N 3.1Å
189	H	41.4	Very low	45.3	Very low	137 Å²	137	106.3 Å²	106.3	63%	0.634	55%	0.553	S	S	*	*	H	α-helix	trans	-86.2	-34.7	176.3	-94.4	-110.5	0	0	0	112.7	F191	H189-F191 PolarHBondContact O-N 3.02Å
190	Y	40.1	Very low	47.4	Very low	61 Å²	61	105.4 Å²	105.4	24%	0.239	55%	0.546	C	S	.	.	H	α-helix	trans	-66.7	-33.6	179	-115.4	-85.4	0	0	0	113.7	C121 W122 F159 Y199	C121-Y190 WeakPolarHBondContact O-CE2 3.26Å; W122-Y190 HydrophobicContact CB-CE2 4.5Å; F159-Y190 WeakPolarHBondContact CE1-OH 3.24Å; F159-Y190 WeakPolarHBondContact CZ-OH 3.5Å; Y190-Y199 HydrophobicContact CE1-CE2 4.07Å; Y190-Y199 WeakPolarHBondContact OH-CE2 3.43Å
191	F	38.6	Very low	49.6	Very low	180 Å²	180	102.1 Å²	102.1	79%	0.789	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-24.9	-176.4	-167.3	-98.9	0	0	0	113	A187 H189	A187-F191 WeakPolarHBondContact O-CB 3.38Å; A187-F191 PolarHBondContact O-N 3.29Å; A187-F191 VanDerWaalsContact O-N 3.11Å; H189-F191 PolarHBondContact O-N 3.02Å
192	L	39.6	Very low	52.3	Low	146 Å²	146	96.5 Å²	96.5	76%	0.764	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-27.4	179.3	-78.4	167.4	0	0	0	112.9
193	R	44.5	Very low	54.8	Low	111 Å²	111	93.6 Å²	93.6	42%	0.419	47%	0.468	S	S	.	.	S	Bend	trans	-95.8	117.7	173.3	-61.7	-171.1	176.3	-169.1	1	107.2	W122 Q195	W122-R193 VanDerWaalsContact CE3-NH1 3.33Å; R193-Q195 HydrophobicContact CB-CB 4.4Å; R193-Q195 HydrophobicContact CB-CG 4.12Å; R193-Q195 PolarHBondContact O-N 3.2Å
194	K	43.9	Very low	57.6	Low	200 Å²	200	89.6 Å²	89.6	87%	0.87	44%	0.441	S	S	*	.	G	3₁₀ helix	trans	-62.1	34.3	174.1	-73.7	178.3	169.7	178.2	0	113.8
195	Q	49	Very low	60.1	Low	30 Å²	30	84.5 Å²	84.5	14%	0.14	42%	0.42	C	S	.	.	G	3₁₀ helix	trans	-81.4	-13.8	-173.2	-85.4	176.9	-35.5	0	0	113.5	L123 R193 R197 C198 Y199	L123-Q195 PolarHBondContact O-NE2 2.86Å; R193-Q195 HydrophobicContact CB-CB 4.4Å; R193-Q195 HydrophobicContact CB-CG 4.12Å; R193-Q195 PolarHBondContact O-N 3.2Å; Q195-R197 PolarHBondContact O-N 3Å; Q195-C198 PolarHBondContact O-N 3.46Å; Q195-Y199 HydrophobicContact CB-CE1 3.97Å; Q195-Y199 WeakPolarHBondContact CB-OH 3.27Å; Q195-Y199 HydrophobicContact CG-CE1 4.18Å; Q195-Y199 PolarHBondContact OE1-OH 2.62Å; Q195-Y199 VanDerWaalsContact OE1-OH 3.04Å
196	S	55.2	Low	62.8	Low	82 Å²	82	80.5 Å²	80.5	57%	0.573	40%	0.395	S	S	*	.	G	3₁₀ helix	trans	-63.1	2.7	178.2	34.7	0	0	0	0	115.4
197	R	68.5	Low	65.2	Low	181 Å²	181	79.3 Å²	79.3	68%	0.683	39%	0.39	S	S	*	.	G	3₁₀ helix	trans	-104.6	-14.1	171.7	-70	-172.6	172.9	179.9	-6	114.5	Q195	Q195-R197 PolarHBondContact O-N 3Å
198	C	81.3	Confident	67.5	Low	55 Å²	55	80.7 Å²	80.7	37%	0.372	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97	-24.1	-174	-60.2	0	0	0	0	112.5	M128 L161 I162 Q195	M128-C198 HydrophobicContact SD-CB 3.58Å; M128-C198 VanDerWaalsContact SD-CB 3.58Å; L161-C198 WeakPolarHBondContact CA-O 3.08Å; I162-C198 PolarHBondContact N-O 3.27Å; Q195-C198 PolarHBondContact O-N 3.46Å
199	Y	86.4	Confident	69.8	Low	7 Å²	7	79.1 Å²	79.1	3%	0.027	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	164.4	-176.9	53.2	-101	0	0	0	110.9	L123 M128 F159 R160 L161 Y190 Q195	L123-Y199 HydrophobicContact CB-CD1 4.09Å; L123-Y199 HydrophobicContact CB-CE1 3.72Å; L123-Y199 HydrophobicContact CD1-CD1 4.02Å; L123-Y199 HydrophobicContact CD1-CE1 4.45Å; L123-Y199 HydrophobicContact CD1-CG 4.03Å; L123-Y199 HydrophobicContact CG-CD1 4.45Å; L123-Y199 HydrophobicContact CG-CE1 4.4Å; L123-Y199 PolarHBondContact N-OH 3.48Å; L123-Y199 PolarHBondContact O-OH 3.46Å; M128-Y199 HydrophobicContact CG-CD1 4.11Å; M128-Y199 HydrophobicContact CG-CE1 4.31Å; M128-Y199 HydrophobicContact SD-CD1 3.74Å; M128-Y199 HydrophobicContact SD-CE1 3.83Å; F159-Y199 HydrophobicContact CD1-CD2 4.03Å; F159-Y199 HydrophobicContact CD1-CE2 4.32Å; R160-Y199 CarbonylContact O-C 3.54Å; R160-Y199 WeakPolarHBondContact O-CA 3.29Å; R160-Y199 WeakPolarHBondContact O-CB 3.42Å; L161-Y199 HydrophobicContact CD2-CD1 4.5Å; Y190-Y199 HydrophobicContact CE1-CE2 4.07Å; Y190-Y199 WeakPolarHBondContact OH-CE2 3.43Å; Q195-Y199 HydrophobicContact CB-CE1 3.97Å; Q195-Y199 WeakPolarHBondContact CB-OH 3.27Å; Q195-Y199 HydrophobicContact CG-CE1 4.18Å; Q195-Y199 PolarHBondContact OE1-OH 2.62Å; Q195-Y199 VanDerWaalsContact OE1-OH 3.04Å
200	Y	84.8	Confident	71.8	Confident	24 Å²	24	78.3 Å²	78.3	9%	0.094	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	154.6	176	63.7	-84.7	0	0	0	111.1	F159 R160 I162 T177 L202	F159-Y200 VanDerWaalsContact CA-O 3.31Å; F159-Y200 WeakPolarHBondContact CA-O 3.45Å; R160-Y200 HydrophobicContact CB-CE1 3.88Å; R160-Y200 HydrophobicContact CB-CE2 4.3Å; R160-Y200 VanDerWaalsContact CD-OH 3.29Å; R160-Y200 WeakPolarHBondContact CD-OH 3.32Å; R160-Y200 HydrophobicContact CG-CE1 4.22Å; R160-Y200 PolarHBondContact N-O 3.01Å; R160-Y200 VanDerWaalsContact N-O 3.09Å; R160-Y200 WeakPolarHBondContact O-CD1 3.46Å; R160-Y200 PolarHBondContact O-N 3.14Å; I162-Y200 HydrophobicContact CD1-CD1 4.47Å; I162-Y200 HydrophobicContact CG1-CD1 3.74Å; I162-Y200 HydrophobicContact CG1-CE1 4.42Å; T177-Y200 HydrophobicContact CG2-CD2 3.79Å; T177-Y200 HydrophobicContact CG2-CE2 4.1Å; Y200-L202 HydrophobicContact CD2-CD2 4.29Å; Y200-L202 HydrophobicContact CE2-CD2 3.59Å; Y200-L202 HydrophobicContact CE2-CG 4.31Å
201	A	85.7	Confident	74	Confident	34 Å²	34	81.6 Å²	81.6	28%	0.281	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	131.9	178.2	0	0	0	0	0	111	A158 F159 T177	A158-A201 CarbonylContact O-C 3.59Å; A158-A201 WeakPolarHBondContact O-CA 3.27Å; F159-A201 HydrophobicContact CD1-CB 4.02Å; F159-A201 HydrophobicContact CE1-CB 3.84Å; T177-A201 WeakPolarHBondContact CG2-O 3.46Å
202	L	88	Confident	76	Confident	7 Å²	7	75.6 Å²	75.6	4%	0.037	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	148.1	173.6	-66.6	169.5	0	0	0	110.6	E30 V32 I142 A158 R160 Y200 V204	E30-L202 HydrophobicContact CB-CD2 3.86Å; E30-L202 HydrophobicContact CG-CD2 3.79Å; V32-L202 HydrophobicContact CG2-CB 4.09Å; V32-L202 HydrophobicContact CG2-CD1 3.96Å; I142-L202 HydrophobicContact CB-CD1 4.46Å; I142-L202 HydrophobicContact CG2-CD1 3.66Å; A158-L202 HydrophobicContact CB-CB 4.12Å; A158-L202 PolarHBondContact O-N 3.12Å; R160-L202 HydrophobicContact CB-CD1 4.35Å; Y200-L202 HydrophobicContact CD2-CD2 4.29Å; Y200-L202 HydrophobicContact CE2-CD2 3.59Å; Y200-L202 HydrophobicContact CE2-CG 4.31Å; L202-V204 PolarHBondContact O-N 3.13Å
203	H	87.5	Confident	77.9	Confident	50 Å²	50	73 Å²	73	23%	0.231	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	119.2	174.7	179.2	-98.5	0	0	0	110.1	K31 V32 N179	K31-H203 CarbonylContact C-O 3.58Å; K31-H203 VanDerWaalsContact CA-O 3.27Å; K31-H203 WeakPolarHBondContact CA-O 3.42Å; V32-H203 PolarHBondContact N-O 3.22Å; N179-H203 PolarHBondContact OD1-CD2 3.08Å; N179-H203 VanDerWaalsContact OD1-CD2 3.25Å
204	V	90.2	Very high	79.6	Confident	26 Å²	26	72.6 Å²	72.6	16%	0.158	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	119.9	176.1	-175.1	0	0	0	0	109.3	V32 M34 A158 L202 Y206	V32-V204 HydrophobicContact CB-CG2 4.37Å; V32-V204 CarbonylContact O-C 3.46Å; V32-V204 WeakPolarHBondContact O-CA 3.25Å; M34-V204 HydrophobicContact CB-CG1 3.99Å; A158-V204 HydrophobicContact CB-CG2 3.64Å; L202-V204 PolarHBondContact O-N 3.13Å; V204-Y206 HydrophobicContact CG1-CE1 4.19Å
205	E	91.2	Very high	81.1	Confident	74 Å²	74	67.4 Å²	67.4	35%	0.346	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	129.8	177	-174.1	-178.3	177.2	0	0	109.4	K31 V32 L33 M34	K31-E205 IonicContact NZ-OE2 3.5Å; K31-E205 PolarHBondContact NZ-OE2 3.15Å; V32-E205 PolarHBondContact O-N 2.95Å; L33-E205 CarbonylContact C-O 3.56Å; L33-E205 WeakPolarHBondContact CA-O 3.3Å; L33-E205 HydrophobicContact CD2-CB 3.82Å; L33-E205 HydrophobicContact CD2-CG 4.19Å; L33-E205 WeakPolarHBondContact CD2-OE2 3.19Å; M34-E205 PolarHBondContact N-O 3.44Å
206	Y	90.8	Very high	81.7	Confident	102 Å²	102	72.8 Å²	72.8	40%	0.4	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	119.1	179.1	-57.1	-72.3	0	0	0	110.4	M34 L39 V204	M34-Y206 HydrophobicContact CB-CD1 4.15Å; M34-Y206 HydrophobicContact CB-CE1 4.34Å; L39-Y206 HydrophobicContact CD1-CE1 4.1Å; L39-Y206 HydrophobicContact CD2-CD1 3.93Å; L39-Y206 HydrophobicContact CD2-CE1 3.81Å; V204-Y206 HydrophobicContact CG1-CE1 4.19Å
207	T	87.2	Confident	81.4	Confident	24 Å²	24	76.5 Å²	76.5	15%	0.147	36%	0.364	C	S	.	.			trans	-113	144.7	-177.9	58.8	0	0	0	0	110.9	L33 M34 R35 P36	L33-T207 HydrophobicContact CB-CG2 4.05Å; L33-T207 HydrophobicContact CD1-CG2 4.23Å; L33-T207 HydrophobicContact CD2-CG2 3.77Å; L33-T207 HydrophobicContact CG-CG2 4.22Å; M34-T207 PolarHBondContact O-N 2.97Å; R35-T207 PolarHBondContact NE-OG1 3.34Å; R35-T207 VanDerWaalsContact NE-OG1 3.1Å; R35-T207 PolarHBondContact NH2-OG1 3.29Å; P36-T207 WeakPolarHBondContact CD-O 3.47Å
208	Y	86.8	Confident	80.5	Confident	72 Å²	72	76.6 Å²	76.6	28%	0.282	36%	0.364	S	S	.	.			trans	-127.6	131.9	-178.9	-57.4	-96.5	0	0	0	109.1	P36 K213 R216	P36-Y208 HydrophobicContact CB-CD1 4.36Å; P36-Y208 HydrophobicContact CB-CE1 4.1Å; P36-Y208 HydrophobicContact CG-CD1 3.33Å; P36-Y208 HydrophobicContact CG-CE1 3.43Å; P36-Y208 VanDerWaalsContact CG-CE1 3.43Å; P36-Y208 HydrophobicContact CG-CG 4.19Å; Y208-K213 HydrophobicContact CG-CG 4.44Å; Y208-K213 WeakPolarHBondContact O-CE 3.47Å; Y208-R216 PolarHBondContact OH-NH1 3.02Å; Y208-R216 VanDerWaalsContact OH-NH1 3.12Å
209	T	85	Confident	78.9	Confident	59 Å²	59	83.7 Å²	83.7	36%	0.362	38%	0.383	S	S	.	.			trans	-68.2	159.3	163.4	62.4	0	0	0	0	109.9	I211 E212 K213	T209-I211 PolarHBondContact O-N 3.49Å; T209-E212 WeakPolarHBondContact CB-OE2 3.44Å; T209-E212 PolarHBondContact N-OE2 3.22Å; T209-E212 PolarHBondContact O-N 3.32Å; T209-E212 VanDerWaalsContact O-N 3.13Å; T209-E212 WeakPolarHBondContact OG1-CB 3.46Å; T209-E212 VanDerWaalsContact OG1-CD 3.22Å; T209-E212 WeakPolarHBondContact OG1-CG 3.35Å; T209-E212 PolarHBondContact OG1-N 3.28Å; T209-E212 PolarHBondContact OG1-OE2 3.09Å; T209-K213 WeakPolarHBondContact O-CG 3.29Å; T209-K213 PolarHBondContact O-N 3.16Å
210	D	84.5	Confident	77.2	Confident	120 Å²	120	88 Å²	88	64%	0.642	41%	0.413	S	S	*	.	H	α-helix	trans	-63.9	-31.5	-178.7	-61	-38.4	0	0	0	112.2	K213 E214	D210-K213 PolarHBondContact O-N 3.27Å; D210-K213 IonicContact OD1-NZ 3.8Å; D210-K213 PolarHBondContact OD1-NZ 3.09Å; D210-E214 WeakPolarHBondContact O-CB 3.47Å; D210-E214 PolarHBondContact O-N 3.38Å
211	I	84.3	Confident	75.1	Confident	130 Å²	130	96.2 Å²	96.2	67%	0.667	44%	0.444	S	S	*	.	H	α-helix	trans	-64.9	-46.9	172.7	-59.6	170.6	0	0	0	110.8	T209 K213 E214 V215	T209-I211 PolarHBondContact O-N 3.49Å; I211-K213 VanDerWaalsContact C-N 3.3Å; I211-K213 PolarHBondContact O-N 2.97Å; I211-E214 PolarHBondContact O-N 2.99Å; I211-E214 VanDerWaalsContact O-N 3.14Å; I211-V215 WeakPolarHBondContact O-CG2 3.09Å; I211-V215 PolarHBondContact O-N 3.47Å
212	E	81.8	Confident	73.1	Confident	53 Å²	53	102.4 Å²	102.4	25%	0.248	47%	0.467	C	S	.	.	H	α-helix	trans	-62.9	-37.9	177.8	-73	165.8	146.7	0	0	111.8	P36 T209 R216	P36-E212 WeakPolarHBondContact CD-OE1 3.34Å; T209-E212 WeakPolarHBondContact CB-OE2 3.44Å; T209-E212 PolarHBondContact N-OE2 3.22Å; T209-E212 PolarHBondContact O-N 3.32Å; T209-E212 VanDerWaalsContact O-N 3.13Å; T209-E212 WeakPolarHBondContact OG1-CB 3.46Å; T209-E212 VanDerWaalsContact OG1-CD 3.22Å; T209-E212 WeakPolarHBondContact OG1-CG 3.35Å; T209-E212 PolarHBondContact OG1-N 3.28Å; T209-E212 PolarHBondContact OG1-OE2 3.09Å; E212-R216 WeakPolarHBondContact O-CB 3.47Å; E212-R216 PolarHBondContact O-N 3.36Å
213	K	79.8	Confident	70.9	Confident	91 Å²	91	107.2 Å²	107.2	40%	0.396	50%	0.497	S	S	.	.	H	α-helix	trans	-61.6	-45.9	172.2	-66.5	174.4	-164	154.3	0	110.7	Y208 T209 D210 I211 R216 F217	Y208-K213 HydrophobicContact CG-CG 4.44Å; Y208-K213 WeakPolarHBondContact O-CE 3.47Å; T209-K213 WeakPolarHBondContact O-CG 3.29Å; T209-K213 PolarHBondContact O-N 3.16Å; D210-K213 PolarHBondContact O-N 3.27Å; D210-K213 IonicContact OD1-NZ 3.8Å; D210-K213 PolarHBondContact OD1-NZ 3.09Å; I211-K213 VanDerWaalsContact C-N 3.3Å; I211-K213 PolarHBondContact O-N 2.97Å; K213-R216 WeakPolarHBondContact O-CB 3.24Å; K213-R216 PolarHBondContact O-N 2.87Å; K213-F217 WeakPolarHBondContact O-CD2 3.49Å; K213-F217 PolarHBondContact O-N 3.31Å
214	E	78.8	Confident	68.6	Low	103 Å²	103	114.2 Å²	114.2	48%	0.481	53%	0.527	S	S	.	.	H	α-helix	trans	-65.6	-41.4	-178.3	-172.9	157.6	-156.5	0	0	112.5	D210 I211 R216 F217 R218	D210-E214 WeakPolarHBondContact O-CB 3.47Å; D210-E214 PolarHBondContact O-N 3.38Å; I211-E214 PolarHBondContact O-N 2.99Å; I211-E214 VanDerWaalsContact O-N 3.14Å; E214-R216 VanDerWaalsContact C-N 3.32Å; E214-R216 PolarHBondContact O-N 2.68Å; E214-F217 PolarHBondContact O-N 2.78Å; E214-R218 HydrophobicContact CG-CG 4.48Å; E214-R218 PolarHBondContact O-N 2.69Å; E214-R218 VanDerWaalsContact O-N 3.09Å; E214-R218 IonicContact OE1-CZ 3.09Å; E214-R218 IonicContact OE1-NE 3.19Å; E214-R218 PolarHBondContact OE1-NE 3.43Å; E214-R218 IonicContact OE1-NH1 3.95Å; E214-R218 IonicContact OE1-NH2 2.75Å; E214-R218 PolarHBondContact OE1-NH2 3.46Å
215	V	76	Confident	65.9	Low	91 Å²	91	123.9 Å²	123.9	55%	0.552	58%	0.577	S	S	*	*	H	α-helix	trans	-61.3	-41.8	173.7	174.4	0	0	0	0	110.9	I211 F217	I211-V215 WeakPolarHBondContact O-CG2 3.09Å; I211-V215 PolarHBondContact O-N 3.47Å; V215-F217 VanDerWaalsContact C-N 3.34Å; V215-F217 PolarHBondContact O-N 3.36Å
216	R	62.5	Low	64.7	Low	144 Å²	144	126.4 Å²	126.4	54%	0.543	59%	0.588	S	S	.	*	H	α-helix	trans	-61.1	-39.6	177.3	-173.1	179.6	-177.5	178.4	2.3	112.4	Y208 E212 K213 E214	Y208-R216 PolarHBondContact OH-NH1 3.02Å; Y208-R216 VanDerWaalsContact OH-NH1 3.12Å; E212-R216 WeakPolarHBondContact O-CB 3.47Å; E212-R216 PolarHBondContact O-N 3.36Å; K213-R216 WeakPolarHBondContact O-CB 3.24Å; K213-R216 PolarHBondContact O-N 2.87Å; E214-R216 VanDerWaalsContact C-N 3.32Å; E214-R216 PolarHBondContact O-N 2.68Å
217	F	48.1	Very low	63.3	Low	160 Å²	160	127.7 Å²	127.7	70%	0.702	60%	0.598	S	S	*	*	H	α-helix	trans	-78.3	-32.4	-178	-89.2	-76.4	0	0	0	113.8	K213 E214 V215	K213-F217 WeakPolarHBondContact O-CD2 3.49Å; K213-F217 PolarHBondContact O-N 3.31Å; E214-F217 PolarHBondContact O-N 2.78Å; V215-F217 VanDerWaalsContact C-N 3.34Å; V215-F217 PolarHBondContact O-N 3.36Å
218	R	50.1	Low	62	Low	182 Å²	182	133.4 Å²	133.4	69%	0.687	62%	0.623	S	S	*	*	H	α-helix	trans	-89.8	-23.3	-169.4	-73.6	-169.7	179.4	-163.1	8.7	116.3	E214	E214-R218 HydrophobicContact CG-CG 4.48Å; E214-R218 PolarHBondContact O-N 2.69Å; E214-R218 VanDerWaalsContact O-N 3.09Å; E214-R218 IonicContact OE1-CZ 3.09Å; E214-R218 IonicContact OE1-NE 3.19Å; E214-R218 PolarHBondContact OE1-NE 3.43Å; E214-R218 IonicContact OE1-NH1 3.95Å; E214-R218 IonicContact OE1-NH2 2.75Å; E214-R218 PolarHBondContact OE1-NH2 3.46Å
219	R	48.3	Very low	60.5	Low	204 Å²	204	137.1 Å²	137.1	77%	0.77	64%	0.643	S	S	*	*	H	α-helix	trans	-114.1	-26.3	-165.5	-118.5	175.7	172.9	177	-3.3	116.8
220	C	49.7	Very low	59	Low	97 Å²	97	141.9 Å²	141.9	66%	0.655	66%	0.661	S	S	*	*	S	Bend	trans	-96.9	-17.5	-173.7	-66.9	0	0	0	0	114.8
221	W	41.6	Very low	57.3	Low	197 Å²	197	143.4 Å²	143.4	75%	0.746	66%	0.662	S	S	*	*	S	Bend	trans	-103.1	-9.3	-175.6	-72.6	95.4	0	0	0	115
222	H	42.5	Very low	55.3	Low	165 Å²	165	144.4 Å²	144.4	76%	0.764	66%	0.662	S	S	*	*	S	Bend	trans	-100.9	10	-176.9	-86.8	33.3	0	0	0	114.7
223	T	42.8	Very low	53.3	Low	108 Å²	108	151.4 Å²	151.4	66%	0.663	69%	0.694	S	S	*	*	S	Bend	trans	-115.9	14.2	-179.2	-27.3	0	0	0	0	113.6
224	F	38	Very low	51.1	Low	197 Å²	197	156.4 Å²	156.4	86%	0.864	72%	0.719	S	S	*	*			trans	-134	20.1	178.6	-84.6	-78.5	0	0	0	114.3
225	L	34.8	Very low	48.6	Very low	229 Å²	229	161.3 Å²	161.3	100%	1.199	74%	0.74	S	S	*	*			trans	-122.1	0	163.3	-74	172.6	0	0	0	108.4

Retrieved 225 of 225 residues in 287.9 ms (Link to these results)

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